data_18325 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18325 _Entry.Title ; Mrx1 oxidized ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-12 _Entry.Accession_date 2012-03-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Lieven Buts . . . 18325 2 Koen 'Van Laer' . . . 18325 3 Joris Messens . . . 18325 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' . 18325 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Trx fold' . 18325 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18325 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 18325 '15N chemical shifts' 88 18325 '1H chemical shifts' 582 18325 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 2 . . 2013-07-15 2012-03-12 update BMRB 'update entry citation' 18325 1 . . 2012-09-14 2012-03-12 original author 'original release' 18325 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18322 'Mrx1 reduced form' 18325 PDB 2LQQ 'BMRB Entry Tracking System' 18325 stop_ save_ ############### # Citations # ############### save_MrxOx _Citation.Sf_category citations _Citation.Sf_framecode MrxOx _Citation.Entry_ID 18325 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22970802 _Citation.Full_citation . _Citation.Title 'Mycoredoxin-1 is one of the missing links in the oxidative stress defence mechanism of Mycobacteria.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Microbiol.' _Citation.Journal_name_full 'Molecular microbiology' _Citation.Journal_volume 86 _Citation.Journal_issue 4 _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 787 _Citation.Page_last 804 _Citation.Year 2012 _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 Koen 'Van Laer' . . . 18325 1 2 Lieven Buts . . . 18325 1 3 Nicolas Foloppe . . . 18325 1 4 Didier Vertommen . . . 18325 1 5 Karolien 'Van Belle' . . . 18325 1 6 Khadija Wahni . . . 18325 1 7 Goedele Roos . . . 18325 1 8 Lennart Nilsson . . . 18325 1 9 Luis Mateos . M. . 18325 1 10 Mamta Rawat . . . 18325 1 11 Nico 'van Nuland' . A.J. . 18325 1 12 Joris Messens . . . 18325 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18325 _Assembly.ID 1 _Assembly.Name oxidized_Mrx1 _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 'oxidized Mrx1' 1 $oxidized_Mrx1 A . yes native no no . . . 18325 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_oxidized_Mrx1 _Entity.Sf_category entity _Entity.Sf_framecode oxidized_Mrx1 _Entity.Entry_ID 18325 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name oxidized_Mrx1 _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 ; MVTAALTIYTTSWCGYCLRL KTALTANRIAYDEVDIEHNR AAAEFVGSVNGGNRTVPTVK FADGSTLTNPSADEVKAKLV KIAGLEHHHHHH ; _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 92 _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 9477.811 _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 18322 . reduced_Mrx1 . . . . . 100.00 92 100.00 100.00 4.60e-60 . . . . 18325 1 2 no PDB 2LQO . "Mrx1 Reduced" . . . . . 100.00 92 100.00 100.00 4.60e-60 . . . . 18325 1 3 no PDB 2LQQ . "Oxidized Mrx1" . . . . . 100.00 92 100.00 100.00 4.60e-60 . . . . 18325 1 4 no DBJ BAH27496 . "putative glutaredoxin protein [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 5 no DBJ BAL67282 . "glutaredoxin protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 6 no DBJ BAQ07378 . "glutaredoxin protein [Mycobacterium tuberculosis str. Kurono]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 7 no DBJ GAA46837 . "glutaredoxin protein [Mycobacterium tuberculosis NCGM2209]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 8 no EMBL CAL73212 . "Possible glutaredoxin protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 9 no EMBL CCC28276 . "putative glutaredoxin protein [Mycobacterium africanum GM041182]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 10 no EMBL CCC45545 . "putative glutaredoxin protein [Mycobacterium canettii CIPT 140010059]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 11 no EMBL CCC65800 . "possible glutaredoxin protein [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 12 no EMBL CCE38648 . "unnamed protein product [Mycobacterium tuberculosis UT205]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 13 no GB AAK47635 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 14 no GB ABQ75018 . "putative glutaredoxin protein [Mycobacterium tuberculosis H37Ra]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 15 no GB ABR07546 . "hypothetical glutaredoxin protein [Mycobacterium tuberculosis F11]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 16 no GB ACT26340 . "glutaredoxin [Mycobacterium tuberculosis KZN 1435]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 17 no GB AEB05392 . "glutaredoxin protein [Mycobacterium tuberculosis KZN 4207]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 18 no REF NP_856868 . "glutaredoxin protein [Mycobacterium bovis AF2122/97]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 19 no REF WP_003416827 . "MULTISPECIES: NrdH-redoxin [Mycobacterium]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 20 no REF WP_015291273 . "NrdH-redoxin [Mycobacterium canettii]" . . . . . 91.30 84 97.62 97.62 1.03e-51 . . . . 18325 1 21 no REF WP_015294259 . "NrdH-redoxin [Mycobacterium canettii]" . . . . . 91.30 84 98.81 98.81 9.81e-53 . . . . 18325 1 22 no REF WP_031679117 . "NrdH-redoxin [Mycobacterium tuberculosis]" . . . . . 91.30 84 97.62 98.81 1.09e-51 . . . . 18325 1 23 no SP P9WN16 . "RecName: Full=Putative glutaredoxin MT3292" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 24 no SP P9WN17 . "RecName: Full=Putative glutaredoxin Rv3198.1" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18325 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18325 1 2 2 VAL . 18325 1 3 3 THR . 18325 1 4 4 ALA . 18325 1 5 5 ALA . 18325 1 6 6 LEU . 18325 1 7 7 THR . 18325 1 8 8 ILE . 18325 1 9 9 TYR . 18325 1 10 10 THR . 18325 1 11 11 THR . 18325 1 12 12 SER . 18325 1 13 13 TRP . 18325 1 14 14 CYS . 18325 1 15 15 GLY . 18325 1 16 16 TYR . 18325 1 17 17 CYS . 18325 1 18 18 LEU . 18325 1 19 19 ARG . 18325 1 20 20 LEU . 18325 1 21 21 LYS . 18325 1 22 22 THR . 18325 1 23 23 ALA . 18325 1 24 24 LEU . 18325 1 25 25 THR . 18325 1 26 26 ALA . 18325 1 27 27 ASN . 18325 1 28 28 ARG . 18325 1 29 29 ILE . 18325 1 30 30 ALA . 18325 1 31 31 TYR . 18325 1 32 32 ASP . 18325 1 33 33 GLU . 18325 1 34 34 VAL . 18325 1 35 35 ASP . 18325 1 36 36 ILE . 18325 1 37 37 GLU . 18325 1 38 38 HIS . 18325 1 39 39 ASN . 18325 1 40 40 ARG . 18325 1 41 41 ALA . 18325 1 42 42 ALA . 18325 1 43 43 ALA . 18325 1 44 44 GLU . 18325 1 45 45 PHE . 18325 1 46 46 VAL . 18325 1 47 47 GLY . 18325 1 48 48 SER . 18325 1 49 49 VAL . 18325 1 50 50 ASN . 18325 1 51 51 GLY . 18325 1 52 52 GLY . 18325 1 53 53 ASN . 18325 1 54 54 ARG . 18325 1 55 55 THR . 18325 1 56 56 VAL . 18325 1 57 57 PRO . 18325 1 58 58 THR . 18325 1 59 59 VAL . 18325 1 60 60 LYS . 18325 1 61 61 PHE . 18325 1 62 62 ALA . 18325 1 63 63 ASP . 18325 1 64 64 GLY . 18325 1 65 65 SER . 18325 1 66 66 THR . 18325 1 67 67 LEU . 18325 1 68 68 THR . 18325 1 69 69 ASN . 18325 1 70 70 PRO . 18325 1 71 71 SER . 18325 1 72 72 ALA . 18325 1 73 73 ASP . 18325 1 74 74 GLU . 18325 1 75 75 VAL . 18325 1 76 76 LYS . 18325 1 77 77 ALA . 18325 1 78 78 LYS . 18325 1 79 79 LEU . 18325 1 80 80 VAL . 18325 1 81 81 LYS . 18325 1 82 82 ILE . 18325 1 83 83 ALA . 18325 1 84 84 GLY . 18325 1 85 85 LEU . 18325 1 86 86 GLU . 18325 1 87 87 HIS . 18325 1 88 88 HIS . 18325 1 89 89 HIS . 18325 1 90 90 HIS . 18325 1 91 91 HIS . 18325 1 92 92 HIS . 18325 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 18325 1 . VAL 2 2 18325 1 . THR 3 3 18325 1 . ALA 4 4 18325 1 . ALA 5 5 18325 1 . LEU 6 6 18325 1 . THR 7 7 18325 1 . ILE 8 8 18325 1 . TYR 9 9 18325 1 . THR 10 10 18325 1 . THR 11 11 18325 1 . SER 12 12 18325 1 . TRP 13 13 18325 1 . CYS 14 14 18325 1 . GLY 15 15 18325 1 . TYR 16 16 18325 1 . CYS 17 17 18325 1 . LEU 18 18 18325 1 . ARG 19 19 18325 1 . LEU 20 20 18325 1 . LYS 21 21 18325 1 . THR 22 22 18325 1 . ALA 23 23 18325 1 . LEU 24 24 18325 1 . THR 25 25 18325 1 . ALA 26 26 18325 1 . ASN 27 27 18325 1 . ARG 28 28 18325 1 . ILE 29 29 18325 1 . ALA 30 30 18325 1 . TYR 31 31 18325 1 . ASP 32 32 18325 1 . GLU 33 33 18325 1 . VAL 34 34 18325 1 . ASP 35 35 18325 1 . ILE 36 36 18325 1 . GLU 37 37 18325 1 . HIS 38 38 18325 1 . ASN 39 39 18325 1 . ARG 40 40 18325 1 . ALA 41 41 18325 1 . ALA 42 42 18325 1 . ALA 43 43 18325 1 . GLU 44 44 18325 1 . PHE 45 45 18325 1 . VAL 46 46 18325 1 . GLY 47 47 18325 1 . SER 48 48 18325 1 . VAL 49 49 18325 1 . ASN 50 50 18325 1 . GLY 51 51 18325 1 . GLY 52 52 18325 1 . ASN 53 53 18325 1 . ARG 54 54 18325 1 . THR 55 55 18325 1 . VAL 56 56 18325 1 . PRO 57 57 18325 1 . THR 58 58 18325 1 . VAL 59 59 18325 1 . LYS 60 60 18325 1 . PHE 61 61 18325 1 . ALA 62 62 18325 1 . ASP 63 63 18325 1 . GLY 64 64 18325 1 . SER 65 65 18325 1 . THR 66 66 18325 1 . LEU 67 67 18325 1 . THR 68 68 18325 1 . ASN 69 69 18325 1 . PRO 70 70 18325 1 . SER 71 71 18325 1 . ALA 72 72 18325 1 . ASP 73 73 18325 1 . GLU 74 74 18325 1 . VAL 75 75 18325 1 . LYS 76 76 18325 1 . ALA 77 77 18325 1 . LYS 78 78 18325 1 . LEU 79 79 18325 1 . VAL 80 80 18325 1 . LYS 81 81 18325 1 . ILE 82 82 18325 1 . ALA 83 83 18325 1 . GLY 84 84 18325 1 . LEU 85 85 18325 1 . GLU 86 86 18325 1 . HIS 87 87 18325 1 . HIS 88 88 18325 1 . HIS 89 89 18325 1 . HIS 90 90 18325 1 . HIS 91 91 18325 1 . HIS 92 92 18325 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 18325 _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 $oxidized_Mrx1 . 1773 organism . 'Mycobacterium tuberculosis' 'high GC Gram+' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 18325 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 18325 _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 $oxidized_Mrx1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 18325 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18325 _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 oxidized_Mrx1 '[U-99% 13C; U-99% 15N]' . . 1 $oxidized_Mrx1 . . . 0.8 1.0 mM . . . . 18325 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18325 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18325 1 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 18325 _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 . M 18325 1 pH 6.6 . pH 18325 1 pressure 1 . atm 18325 1 temperature 298 . K 18325 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18325 _Software.ID 1 _Software.Name NMRPipe _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' . . 18325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18325 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18325 _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' . . 18325 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18325 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 18325 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18325 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18325 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18325 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18325 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18325 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18325 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18325 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18325 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18325 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR Systems' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18325 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Varian NMR Systems' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18325 _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 'Varian NMR Systems' . 600 . . . 18325 1 2 spectrometer_2 Varian 'Varian NMR Systems' . 800 . . . 18325 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 18325 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 12 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 1 13 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18325 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 18325 _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 . . . . . . . . . 18325 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18325 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18325 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 18325 _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' . . . 18325 1 2 '2D 1H-13C HSQC' . . . 18325 1 4 '3D CBCA(CO)NH' . . . 18325 1 5 '3D HNCO' . . . 18325 1 6 '3D HNCACB' . . . 18325 1 7 '3D HBHA(CO)NH' . . . 18325 1 8 '3D C(CO)NH' . . . 18325 1 9 '3D HCCH-TOCSY' . . . 18325 1 12 HBCBCGCDHD . . . 18325 1 13 HBCBCGCDCEHE . . . 18325 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 2 2 VAL HA H 1 4.195 . . 1 . . . A 2 VAL HA . 18325 1 2 . 1 1 2 2 VAL HB H 1 2.034 . . 1 . . . A 2 VAL HB . 18325 1 3 . 1 1 2 2 VAL HG11 H 1 0.910 . . 1 . . . A 2 VAL HG11 . 18325 1 4 . 1 1 2 2 VAL HG12 H 1 0.910 . . 1 . . . A 2 VAL HG12 . 18325 1 5 . 1 1 2 2 VAL HG13 H 1 0.910 . . 1 . . . A 2 VAL HG13 . 18325 1 6 . 1 1 2 2 VAL HG21 H 1 0.910 . . 1 . . . A 2 VAL HG21 . 18325 1 7 . 1 1 2 2 VAL HG22 H 1 0.910 . . 1 . . . A 2 VAL HG22 . 18325 1 8 . 1 1 2 2 VAL HG23 H 1 0.910 . . 1 . . . A 2 VAL HG23 . 18325 1 9 . 1 1 2 2 VAL C C 13 175.805 . . 1 . . . A 2 VAL C . 18325 1 10 . 1 1 2 2 VAL CA C 13 62.388 . . 1 . . . A 2 VAL CA . 18325 1 11 . 1 1 2 2 VAL CB C 13 32.777 . . 1 . . . A 2 VAL CB . 18325 1 12 . 1 1 2 2 VAL CG1 C 13 20.831 . . 1 . . . A 2 VAL CG1 . 18325 1 13 . 1 1 2 2 VAL CG2 C 13 20.831 . . 1 . . . A 2 VAL CG2 . 18325 1 14 . 1 1 3 3 THR H H 1 8.256 . . 1 . . . A 3 THR H . 18325 1 15 . 1 1 3 3 THR HA H 1 4.259 . . 1 . . . A 3 THR HA . 18325 1 16 . 1 1 3 3 THR HB H 1 4.105 . . 1 . . . A 3 THR HB . 18325 1 17 . 1 1 3 3 THR HG21 H 1 1.166 . . 1 . . . A 3 THR HG21 . 18325 1 18 . 1 1 3 3 THR HG22 H 1 1.166 . . 1 . . . A 3 THR HG22 . 18325 1 19 . 1 1 3 3 THR HG23 H 1 1.166 . . 1 . . . A 3 THR HG23 . 18325 1 20 . 1 1 3 3 THR C C 13 173.761 . . 1 . . . A 3 THR C . 18325 1 21 . 1 1 3 3 THR CA C 13 61.673 . . 1 . . . A 3 THR CA . 18325 1 22 . 1 1 3 3 THR CB C 13 69.846 . . 1 . . . A 3 THR CB . 18325 1 23 . 1 1 3 3 THR CG2 C 13 21.597 . . 1 . . . A 3 THR CG2 . 18325 1 24 . 1 1 3 3 THR N N 15 119.229 . . 1 . . . A 3 THR N . 18325 1 25 . 1 1 4 4 ALA H H 1 8.367 . . 1 . . . A 4 ALA H . 18325 1 26 . 1 1 4 4 ALA HA H 1 4.154 . . 1 . . . A 4 ALA HA . 18325 1 27 . 1 1 4 4 ALA HB1 H 1 1.268 . . 1 . . . A 4 ALA HB1 . 18325 1 28 . 1 1 4 4 ALA HB2 H 1 1.268 . . 1 . . . A 4 ALA HB2 . 18325 1 29 . 1 1 4 4 ALA HB3 H 1 1.268 . . 1 . . . A 4 ALA HB3 . 18325 1 30 . 1 1 4 4 ALA C C 13 177.002 . . 1 . . . A 4 ALA C . 18325 1 31 . 1 1 4 4 ALA CA C 13 52.159 . . 1 . . . A 4 ALA CA . 18325 1 32 . 1 1 4 4 ALA CB C 13 19.512 . . 1 . . . A 4 ALA CB . 18325 1 33 . 1 1 4 4 ALA N N 15 126.635 . . 1 . . . A 4 ALA N . 18325 1 34 . 1 1 5 5 ALA H H 1 8.374 . . 1 . . . A 5 ALA H . 18325 1 35 . 1 1 5 5 ALA HA H 1 4.267 . . 1 . . . A 5 ALA HA . 18325 1 36 . 1 1 5 5 ALA HB1 H 1 1.406 . . 1 . . . A 5 ALA HB1 . 18325 1 37 . 1 1 5 5 ALA HB2 H 1 1.406 . . 1 . . . A 5 ALA HB2 . 18325 1 38 . 1 1 5 5 ALA HB3 H 1 1.406 . . 1 . . . A 5 ALA HB3 . 18325 1 39 . 1 1 5 5 ALA C C 13 176.288 . . 1 . . . A 5 ALA C . 18325 1 40 . 1 1 5 5 ALA CA C 13 52.894 . . 1 . . . A 5 ALA CA . 18325 1 41 . 1 1 5 5 ALA CB C 13 19.494 . . 1 . . . A 5 ALA CB . 18325 1 42 . 1 1 5 5 ALA N N 15 123.621 . . 1 . . . A 5 ALA N . 18325 1 43 . 1 1 6 6 LEU H H 1 7.478 . . 1 . . . A 6 LEU H . 18325 1 44 . 1 1 6 6 LEU HA H 1 4.648 . . 1 . . . A 6 LEU HA . 18325 1 45 . 1 1 6 6 LEU HB2 H 1 1.609 . . 1 . . . A 6 LEU HB2 . 18325 1 46 . 1 1 6 6 LEU HB3 H 1 1.237 . . 1 . . . A 6 LEU HB3 . 18325 1 47 . 1 1 6 6 LEU HG H 1 1.436 . . 1 . . . A 6 LEU HG . 18325 1 48 . 1 1 6 6 LEU HD11 H 1 0.668 . . 2 . . . A 6 LEU HD11 . 18325 1 49 . 1 1 6 6 LEU HD12 H 1 0.668 . . 2 . . . A 6 LEU HD12 . 18325 1 50 . 1 1 6 6 LEU HD13 H 1 0.668 . . 2 . . . A 6 LEU HD13 . 18325 1 51 . 1 1 6 6 LEU HD21 H 1 0.502 . . 2 . . . A 6 LEU HD21 . 18325 1 52 . 1 1 6 6 LEU HD22 H 1 0.502 . . 2 . . . A 6 LEU HD22 . 18325 1 53 . 1 1 6 6 LEU HD23 H 1 0.502 . . 2 . . . A 6 LEU HD23 . 18325 1 54 . 1 1 6 6 LEU C C 13 175.007 . . 1 . . . A 6 LEU C . 18325 1 55 . 1 1 6 6 LEU CA C 13 54.263 . . 1 . . . A 6 LEU CA . 18325 1 56 . 1 1 6 6 LEU CB C 13 44.224 . . 1 . . . A 6 LEU CB . 18325 1 57 . 1 1 6 6 LEU CG C 13 27.584 . . 1 . . . A 6 LEU CG . 18325 1 58 . 1 1 6 6 LEU CD1 C 13 27.490 . . 1 . . . A 6 LEU CD1 . 18325 1 59 . 1 1 6 6 LEU CD2 C 13 26.625 . . 1 . . . A 6 LEU CD2 . 18325 1 60 . 1 1 6 6 LEU N N 15 115.731 . . 1 . . . A 6 LEU N . 18325 1 61 . 1 1 7 7 THR H H 1 8.342 . . 1 . . . A 7 THR H . 18325 1 62 . 1 1 7 7 THR HA H 1 4.906 . . 1 . . . A 7 THR HA . 18325 1 63 . 1 1 7 7 THR HB H 1 3.565 . . 1 . . . A 7 THR HB . 18325 1 64 . 1 1 7 7 THR HG21 H 1 0.453 . . 1 . . . A 7 THR HG21 . 18325 1 65 . 1 1 7 7 THR HG22 H 1 0.453 . . 1 . . . A 7 THR HG22 . 18325 1 66 . 1 1 7 7 THR HG23 H 1 0.453 . . 1 . . . A 7 THR HG23 . 18325 1 67 . 1 1 7 7 THR C C 13 172.657 . . 1 . . . A 7 THR C . 18325 1 68 . 1 1 7 7 THR CA C 13 61.586 . . 1 . . . A 7 THR CA . 18325 1 69 . 1 1 7 7 THR CB C 13 70.917 . . 1 . . . A 7 THR CB . 18325 1 70 . 1 1 7 7 THR CG2 C 13 20.840 . . 1 . . . A 7 THR CG2 . 18325 1 71 . 1 1 7 7 THR N N 15 119.383 . . 1 . . . A 7 THR N . 18325 1 72 . 1 1 8 8 ILE H H 1 9.050 . . 1 . . . A 8 ILE H . 18325 1 73 . 1 1 8 8 ILE HA H 1 4.575 . . 1 . . . A 8 ILE HA . 18325 1 74 . 1 1 8 8 ILE HB H 1 1.284 . . 1 . . . A 8 ILE HB . 18325 1 75 . 1 1 8 8 ILE HG12 H 1 1.277 . . 2 . . . A 8 ILE HG12 . 18325 1 76 . 1 1 8 8 ILE HG13 H 1 0.689 . . 2 . . . A 8 ILE HG13 . 18325 1 77 . 1 1 8 8 ILE HG21 H 1 0.522 . . 1 . . . A 8 ILE HG21 . 18325 1 78 . 1 1 8 8 ILE HG22 H 1 0.522 . . 1 . . . A 8 ILE HG22 . 18325 1 79 . 1 1 8 8 ILE HG23 H 1 0.522 . . 1 . . . A 8 ILE HG23 . 18325 1 80 . 1 1 8 8 ILE HD11 H 1 0.121 . . 1 . . . A 8 ILE HD11 . 18325 1 81 . 1 1 8 8 ILE HD12 H 1 0.121 . . 1 . . . A 8 ILE HD12 . 18325 1 82 . 1 1 8 8 ILE HD13 H 1 0.121 . . 1 . . . A 8 ILE HD13 . 18325 1 83 . 1 1 8 8 ILE C C 13 172.650 . . 1 . . . A 8 ILE C . 18325 1 84 . 1 1 8 8 ILE CA C 13 59.206 . . 1 . . . A 8 ILE CA . 18325 1 85 . 1 1 8 8 ILE CB C 13 40.150 . . 1 . . . A 8 ILE CB . 18325 1 86 . 1 1 8 8 ILE CG1 C 13 27.534 . . 1 . . . A 8 ILE CG1 . 18325 1 87 . 1 1 8 8 ILE CG2 C 13 16.616 . . 1 . . . A 8 ILE CG2 . 18325 1 88 . 1 1 8 8 ILE CD1 C 13 13.569 . . 1 . . . A 8 ILE CD1 . 18325 1 89 . 1 1 8 8 ILE N N 15 124.711 . . 1 . . . A 8 ILE N . 18325 1 90 . 1 1 9 9 TYR H H 1 9.094 . . 1 . . . A 9 TYR H . 18325 1 91 . 1 1 9 9 TYR HA H 1 5.425 . . 1 . . . A 9 TYR HA . 18325 1 92 . 1 1 9 9 TYR HB2 H 1 2.832 . . 1 . . . A 9 TYR HB2 . 18325 1 93 . 1 1 9 9 TYR HB3 H 1 2.832 . . 1 . . . A 9 TYR HB3 . 18325 1 94 . 1 1 9 9 TYR HD1 H 1 6.914 . . 1 . . . A 9 TYR HD1 . 18325 1 95 . 1 1 9 9 TYR HD2 H 1 6.914 . . 1 . . . A 9 TYR HD2 . 18325 1 96 . 1 1 9 9 TYR HE1 H 1 6.619 . . 1 . . . A 9 TYR HE1 . 18325 1 97 . 1 1 9 9 TYR HE2 H 1 6.619 . . 1 . . . A 9 TYR HE2 . 18325 1 98 . 1 1 9 9 TYR C C 13 176.445 . . 1 . . . A 9 TYR C . 18325 1 99 . 1 1 9 9 TYR CA C 13 57.397 . . 1 . . . A 9 TYR CA . 18325 1 100 . 1 1 9 9 TYR CB C 13 39.232 . . 1 . . . A 9 TYR CB . 18325 1 101 . 1 1 9 9 TYR CD1 C 13 132.809 . . 1 . . . A 9 TYR CD1 . 18325 1 102 . 1 1 9 9 TYR CD2 C 13 132.809 . . 1 . . . A 9 TYR CD2 . 18325 1 103 . 1 1 9 9 TYR CE1 C 13 117.338 . . 1 . . . A 9 TYR CE1 . 18325 1 104 . 1 1 9 9 TYR CE2 C 13 117.338 . . 1 . . . A 9 TYR CE2 . 18325 1 105 . 1 1 9 9 TYR N N 15 128.517 . . 1 . . . A 9 TYR N . 18325 1 106 . 1 1 10 10 THR H H 1 8.824 . . 1 . . . A 10 THR H . 18325 1 107 . 1 1 10 10 THR HA H 1 4.778 . . 1 . . . A 10 THR HA . 18325 1 108 . 1 1 10 10 THR HB H 1 4.209 . . 1 . . . A 10 THR HB . 18325 1 109 . 1 1 10 10 THR HG21 H 1 0.896 . . 1 . . . A 10 THR HG21 . 18325 1 110 . 1 1 10 10 THR HG22 H 1 0.896 . . 1 . . . A 10 THR HG22 . 18325 1 111 . 1 1 10 10 THR HG23 H 1 0.896 . . 1 . . . A 10 THR HG23 . 18325 1 112 . 1 1 10 10 THR C C 13 173.410 . . 1 . . . A 10 THR C . 18325 1 113 . 1 1 10 10 THR CA C 13 59.893 . . 1 . . . A 10 THR CA . 18325 1 114 . 1 1 10 10 THR CB C 13 72.063 . . 1 . . . A 10 THR CB . 18325 1 115 . 1 1 10 10 THR CG2 C 13 22.083 . . 1 . . . A 10 THR CG2 . 18325 1 116 . 1 1 10 10 THR N N 15 112.214 . . 1 . . . A 10 THR N . 18325 1 117 . 1 1 11 11 THR H H 1 6.667 . . 1 . . . A 11 THR H . 18325 1 118 . 1 1 11 11 THR HA H 1 4.585 . . 1 . . . A 11 THR HA . 18325 1 119 . 1 1 11 11 THR HB H 1 3.585 . . 1 . . . A 11 THR HB . 18325 1 120 . 1 1 11 11 THR HG21 H 1 1.035 . . 1 . . . A 11 THR HG21 . 18325 1 121 . 1 1 11 11 THR HG22 H 1 1.035 . . 1 . . . A 11 THR HG22 . 18325 1 122 . 1 1 11 11 THR HG23 H 1 1.035 . . 1 . . . A 11 THR HG23 . 18325 1 123 . 1 1 11 11 THR C C 13 176.335 . . 1 . . . A 11 THR C . 18325 1 124 . 1 1 11 11 THR CA C 13 60.389 . . 1 . . . A 11 THR CA . 18325 1 125 . 1 1 11 11 THR CB C 13 72.584 . . 1 . . . A 11 THR CB . 18325 1 126 . 1 1 11 11 THR CG2 C 13 22.959 . . 1 . . . A 11 THR CG2 . 18325 1 127 . 1 1 11 11 THR N N 15 103.866 . . 1 . . . A 11 THR N . 18325 1 128 . 1 1 12 12 SER H H 1 9.561 . . 1 . . . A 12 SER H . 18325 1 129 . 1 1 12 12 SER HA H 1 4.134 . . 1 . . . A 12 SER HA . 18325 1 130 . 1 1 12 12 SER HB2 H 1 3.922 . . 1 . . . A 12 SER HB2 . 18325 1 131 . 1 1 12 12 SER HB3 H 1 3.922 . . 1 . . . A 12 SER HB3 . 18325 1 132 . 1 1 12 12 SER C C 13 174.863 . . 1 . . . A 12 SER C . 18325 1 133 . 1 1 12 12 SER CA C 13 61.183 . . 1 . . . A 12 SER CA . 18325 1 134 . 1 1 12 12 SER CB C 13 62.845 . . 1 . . . A 12 SER CB . 18325 1 135 . 1 1 12 12 SER N N 15 116.991 . . 1 . . . A 12 SER N . 18325 1 136 . 1 1 13 13 TRP H H 1 6.996 . . 1 . . . A 13 TRP H . 18325 1 137 . 1 1 13 13 TRP HA H 1 4.775 . . 1 . . . A 13 TRP HA . 18325 1 138 . 1 1 13 13 TRP HB2 H 1 3.550 . . 1 . . . A 13 TRP HB2 . 18325 1 139 . 1 1 13 13 TRP HB3 H 1 3.207 . . 1 . . . A 13 TRP HB3 . 18325 1 140 . 1 1 13 13 TRP HD1 H 1 7.320 . . 1 . . . A 13 TRP HD1 . 18325 1 141 . 1 1 13 13 TRP HE1 H 1 10.891 . . 1 . . . A 13 TRP HE1 . 18325 1 142 . 1 1 13 13 TRP HE3 H 1 7.558 . . 1 . . . A 13 TRP HE3 . 18325 1 143 . 1 1 13 13 TRP HZ2 H 1 7.580 . . 1 . . . A 13 TRP HZ2 . 18325 1 144 . 1 1 13 13 TRP HZ3 H 1 7.197 . . 1 . . . A 13 TRP HZ3 . 18325 1 145 . 1 1 13 13 TRP HH2 H 1 7.301 . . 1 . . . A 13 TRP HH2 . 18325 1 146 . 1 1 13 13 TRP C C 13 175.144 . . 1 . . . A 13 TRP C . 18325 1 147 . 1 1 13 13 TRP CA C 13 54.555 . . 1 . . . A 13 TRP CA . 18325 1 148 . 1 1 13 13 TRP CB C 13 28.292 . . 1 . . . A 13 TRP CB . 18325 1 149 . 1 1 13 13 TRP CD1 C 13 128.724 . . 1 . . . A 13 TRP CD1 . 18325 1 150 . 1 1 13 13 TRP CE3 C 13 121.497 . . 1 . . . A 13 TRP CE3 . 18325 1 151 . 1 1 13 13 TRP CZ2 C 13 114.919 . . 1 . . . A 13 TRP CZ2 . 18325 1 152 . 1 1 13 13 TRP CZ3 C 13 122.365 . . 1 . . . A 13 TRP CZ3 . 18325 1 153 . 1 1 13 13 TRP CH2 C 13 124.997 . . 1 . . . A 13 TRP CH2 . 18325 1 154 . 1 1 13 13 TRP N N 15 117.675 . . 1 . . . A 13 TRP N . 18325 1 155 . 1 1 13 13 TRP NE1 N 15 132.135 . . 1 . . . A 13 TRP NE1 . 18325 1 156 . 1 1 14 14 CYS H H 1 6.755 . . 1 . . . A 14 CYS H . 18325 1 157 . 1 1 14 14 CYS HA H 1 4.498 . . 1 . . . A 14 CYS HA . 18325 1 158 . 1 1 14 14 CYS HB2 H 1 3.570 . . 1 . . . A 14 CYS HB2 . 18325 1 159 . 1 1 14 14 CYS HB3 H 1 3.050 . . 1 . . . A 14 CYS HB3 . 18325 1 160 . 1 1 14 14 CYS CA C 13 53.859 . . 1 . . . A 14 CYS CA . 18325 1 161 . 1 1 14 14 CYS CB C 13 44.419 . . 1 . . . A 14 CYS CB . 18325 1 162 . 1 1 14 14 CYS N N 15 120.513 . . 1 . . . A 14 CYS N . 18325 1 163 . 1 1 16 16 TYR HA H 1 4.377 . . 1 . . . A 16 TYR HA . 18325 1 164 . 1 1 16 16 TYR HB2 H 1 3.216 . . 1 . . . A 16 TYR HB2 . 18325 1 165 . 1 1 16 16 TYR HB3 H 1 2.982 . . 1 . . . A 16 TYR HB3 . 18325 1 166 . 1 1 16 16 TYR HD1 H 1 7.151 . . 1 . . . A 16 TYR HD1 . 18325 1 167 . 1 1 16 16 TYR HD2 H 1 7.151 . . 1 . . . A 16 TYR HD2 . 18325 1 168 . 1 1 16 16 TYR HE1 H 1 6.744 . . 1 . . . A 16 TYR HE1 . 18325 1 169 . 1 1 16 16 TYR HE2 H 1 6.744 . . 1 . . . A 16 TYR HE2 . 18325 1 170 . 1 1 16 16 TYR C C 13 177.495 . . 1 . . . A 16 TYR C . 18325 1 171 . 1 1 16 16 TYR CA C 13 60.662 . . 1 . . . A 16 TYR CA . 18325 1 172 . 1 1 16 16 TYR CB C 13 37.852 . . 1 . . . A 16 TYR CB . 18325 1 173 . 1 1 16 16 TYR CD1 C 13 132.978 . . 1 . . . A 16 TYR CD1 . 18325 1 174 . 1 1 16 16 TYR CD2 C 13 132.978 . . 1 . . . A 16 TYR CD2 . 18325 1 175 . 1 1 16 16 TYR CE1 C 13 117.519 . . 1 . . . A 16 TYR CE1 . 18325 1 176 . 1 1 16 16 TYR CE2 C 13 117.519 . . 1 . . . A 16 TYR CE2 . 18325 1 177 . 1 1 17 17 CYS H H 1 8.495 . . 1 . . . A 17 CYS H . 18325 1 178 . 1 1 17 17 CYS HA H 1 3.923 . . 1 . . . A 17 CYS HA . 18325 1 179 . 1 1 17 17 CYS HB2 H 1 4.058 . . 1 . . . A 17 CYS HB2 . 18325 1 180 . 1 1 17 17 CYS HB3 H 1 2.581 . . 1 . . . A 17 CYS HB3 . 18325 1 181 . 1 1 17 17 CYS C C 13 174.680 . . 1 . . . A 17 CYS C . 18325 1 182 . 1 1 17 17 CYS CA C 13 65.302 . . 1 . . . A 17 CYS CA . 18325 1 183 . 1 1 17 17 CYS CB C 13 33.986 . . 1 . . . A 17 CYS CB . 18325 1 184 . 1 1 17 17 CYS N N 15 114.160 . . 1 . . . A 17 CYS N . 18325 1 185 . 1 1 18 18 LEU H H 1 7.311 . . 1 . . . A 18 LEU H . 18325 1 186 . 1 1 18 18 LEU HA H 1 4.031 . . 1 . . . A 18 LEU HA . 18325 1 187 . 1 1 18 18 LEU HB2 H 1 1.853 . . 1 . . . A 18 LEU HB2 . 18325 1 188 . 1 1 18 18 LEU HB3 H 1 1.853 . . 1 . . . A 18 LEU HB3 . 18325 1 189 . 1 1 18 18 LEU HG H 1 1.706 . . 1 . . . A 18 LEU HG . 18325 1 190 . 1 1 18 18 LEU HD11 H 1 0.966 . . 2 . . . A 18 LEU HD11 . 18325 1 191 . 1 1 18 18 LEU HD12 H 1 0.966 . . 2 . . . A 18 LEU HD12 . 18325 1 192 . 1 1 18 18 LEU HD13 H 1 0.966 . . 2 . . . A 18 LEU HD13 . 18325 1 193 . 1 1 18 18 LEU HD21 H 1 0.917 . . 2 . . . A 18 LEU HD21 . 18325 1 194 . 1 1 18 18 LEU HD22 H 1 0.917 . . 2 . . . A 18 LEU HD22 . 18325 1 195 . 1 1 18 18 LEU HD23 H 1 0.917 . . 2 . . . A 18 LEU HD23 . 18325 1 196 . 1 1 18 18 LEU C C 13 179.001 . . 1 . . . A 18 LEU C . 18325 1 197 . 1 1 18 18 LEU CA C 13 58.234 . . 1 . . . A 18 LEU CA . 18325 1 198 . 1 1 18 18 LEU CB C 13 41.205 . . 1 . . . A 18 LEU CB . 18325 1 199 . 1 1 18 18 LEU CG C 13 27.044 . . 1 . . . A 18 LEU CG . 18325 1 200 . 1 1 18 18 LEU CD1 C 13 23.991 . . 1 . . . A 18 LEU CD1 . 18325 1 201 . 1 1 18 18 LEU CD2 C 13 23.991 . . 1 . . . A 18 LEU CD2 . 18325 1 202 . 1 1 18 18 LEU N N 15 119.295 . . 1 . . . A 18 LEU N . 18325 1 203 . 1 1 19 19 ARG H H 1 7.469 . . 1 . . . A 19 ARG H . 18325 1 204 . 1 1 19 19 ARG HA H 1 3.998 . . 1 . . . A 19 ARG HA . 18325 1 205 . 1 1 19 19 ARG HB2 H 1 1.882 . . 1 . . . A 19 ARG HB2 . 18325 1 206 . 1 1 19 19 ARG HB3 H 1 1.882 . . 1 . . . A 19 ARG HB3 . 18325 1 207 . 1 1 19 19 ARG HG2 H 1 1.734 . . 2 . . . A 19 ARG HG2 . 18325 1 208 . 1 1 19 19 ARG HG3 H 1 1.658 . . 2 . . . A 19 ARG HG3 . 18325 1 209 . 1 1 19 19 ARG HD2 H 1 3.229 . . 2 . . . A 19 ARG HD2 . 18325 1 210 . 1 1 19 19 ARG HD3 H 1 3.229 . . 2 . . . A 19 ARG HD3 . 18325 1 211 . 1 1 19 19 ARG C C 13 178.949 . . 1 . . . A 19 ARG C . 18325 1 212 . 1 1 19 19 ARG CA C 13 59.597 . . 1 . . . A 19 ARG CA . 18325 1 213 . 1 1 19 19 ARG CB C 13 30.006 . . 1 . . . A 19 ARG CB . 18325 1 214 . 1 1 19 19 ARG CG C 13 27.583 . . 1 . . . A 19 ARG CG . 18325 1 215 . 1 1 19 19 ARG CD C 13 43.555 . . 1 . . . A 19 ARG CD . 18325 1 216 . 1 1 19 19 ARG N N 15 119.771 . . 1 . . . A 19 ARG N . 18325 1 217 . 1 1 20 20 LEU H H 1 8.150 . . 1 . . . A 20 LEU H . 18325 1 218 . 1 1 20 20 LEU HA H 1 4.097 . . 1 . . . A 20 LEU HA . 18325 1 219 . 1 1 20 20 LEU HB2 H 1 1.462 . . 1 . . . A 20 LEU HB2 . 18325 1 220 . 1 1 20 20 LEU HB3 H 1 1.228 . . 1 . . . A 20 LEU HB3 . 18325 1 221 . 1 1 20 20 LEU HG H 1 1.166 . . 1 . . . A 20 LEU HG . 18325 1 222 . 1 1 20 20 LEU HD11 H 1 0.792 . . 2 . . . A 20 LEU HD11 . 18325 1 223 . 1 1 20 20 LEU HD12 H 1 0.792 . . 2 . . . A 20 LEU HD12 . 18325 1 224 . 1 1 20 20 LEU HD13 H 1 0.792 . . 2 . . . A 20 LEU HD13 . 18325 1 225 . 1 1 20 20 LEU HD21 H 1 0.654 . . 2 . . . A 20 LEU HD21 . 18325 1 226 . 1 1 20 20 LEU HD22 H 1 0.654 . . 2 . . . A 20 LEU HD22 . 18325 1 227 . 1 1 20 20 LEU HD23 H 1 0.654 . . 2 . . . A 20 LEU HD23 . 18325 1 228 . 1 1 20 20 LEU C C 13 177.928 . . 1 . . . A 20 LEU C . 18325 1 229 . 1 1 20 20 LEU CA C 13 57.757 . . 1 . . . A 20 LEU CA . 18325 1 230 . 1 1 20 20 LEU CB C 13 40.940 . . 1 . . . A 20 LEU CB . 18325 1 231 . 1 1 20 20 LEU CG C 13 26.042 . . 1 . . . A 20 LEU CG . 18325 1 232 . 1 1 20 20 LEU CD1 C 13 21.409 . . 1 . . . A 20 LEU CD1 . 18325 1 233 . 1 1 20 20 LEU CD2 C 13 26.042 . . 1 . . . A 20 LEU CD2 . 18325 1 234 . 1 1 20 20 LEU N N 15 120.802 . . 1 . . . A 20 LEU N . 18325 1 235 . 1 1 21 21 LYS H H 1 7.854 . . 1 . . . A 21 LYS H . 18325 1 236 . 1 1 21 21 LYS HA H 1 3.280 . . 1 . . . A 21 LYS HA . 18325 1 237 . 1 1 21 21 LYS HB2 H 1 1.838 . . 1 . . . A 21 LYS HB2 . 18325 1 238 . 1 1 21 21 LYS HB3 H 1 1.838 . . 1 . . . A 21 LYS HB3 . 18325 1 239 . 1 1 21 21 LYS HG2 H 1 1.339 . . 2 . . . A 21 LYS HG2 . 18325 1 240 . 1 1 21 21 LYS HG3 H 1 0.820 . . 2 . . . A 21 LYS HG3 . 18325 1 241 . 1 1 21 21 LYS HD2 H 1 1.554 . . 2 . . . A 21 LYS HD2 . 18325 1 242 . 1 1 21 21 LYS HD3 H 1 1.485 . . 2 . . . A 21 LYS HD3 . 18325 1 243 . 1 1 21 21 LYS C C 13 178.851 . . 1 . . . A 21 LYS C . 18325 1 244 . 1 1 21 21 LYS CA C 13 61.353 . . 1 . . . A 21 LYS CA . 18325 1 245 . 1 1 21 21 LYS CB C 13 31.698 . . 1 . . . A 21 LYS CB . 18325 1 246 . 1 1 21 21 LYS CG C 13 25.958 . . 1 . . . A 21 LYS CG . 18325 1 247 . 1 1 21 21 LYS CD C 13 29.218 . . 1 . . . A 21 LYS CD . 18325 1 248 . 1 1 21 21 LYS CE C 13 40.812 . . 1 . . . A 21 LYS CE . 18325 1 249 . 1 1 21 21 LYS N N 15 117.910 . . 1 . . . A 21 LYS N . 18325 1 250 . 1 1 22 22 THR H H 1 8.125 . . 1 . . . A 22 THR H . 18325 1 251 . 1 1 22 22 THR HA H 1 3.889 . . 1 . . . A 22 THR HA . 18325 1 252 . 1 1 22 22 THR HB H 1 4.239 . . 1 . . . A 22 THR HB . 18325 1 253 . 1 1 22 22 THR HG21 H 1 1.270 . . 1 . . . A 22 THR HG21 . 18325 1 254 . 1 1 22 22 THR HG22 H 1 1.270 . . 1 . . . A 22 THR HG22 . 18325 1 255 . 1 1 22 22 THR HG23 H 1 1.270 . . 1 . . . A 22 THR HG23 . 18325 1 256 . 1 1 22 22 THR C C 13 176.571 . . 1 . . . A 22 THR C . 18325 1 257 . 1 1 22 22 THR CA C 13 66.849 . . 1 . . . A 22 THR CA . 18325 1 258 . 1 1 22 22 THR CB C 13 68.793 . . 1 . . . A 22 THR CB . 18325 1 259 . 1 1 22 22 THR CG2 C 13 21.442 . . 1 . . . A 22 THR CG2 . 18325 1 260 . 1 1 22 22 THR N N 15 115.451 . . 1 . . . A 22 THR N . 18325 1 261 . 1 1 23 23 ALA H H 1 7.892 . . 1 . . . A 23 ALA H . 18325 1 262 . 1 1 23 23 ALA HA H 1 4.274 . . 1 . . . A 23 ALA HA . 18325 1 263 . 1 1 23 23 ALA HB1 H 1 1.483 . . 1 . . . A 23 ALA HB1 . 18325 1 264 . 1 1 23 23 ALA HB2 H 1 1.483 . . 1 . . . A 23 ALA HB2 . 18325 1 265 . 1 1 23 23 ALA HB3 H 1 1.483 . . 1 . . . A 23 ALA HB3 . 18325 1 266 . 1 1 23 23 ALA C C 13 180.948 . . 1 . . . A 23 ALA C . 18325 1 267 . 1 1 23 23 ALA CA C 13 55.003 . . 1 . . . A 23 ALA CA . 18325 1 268 . 1 1 23 23 ALA CB C 13 18.842 . . 1 . . . A 23 ALA CB . 18325 1 269 . 1 1 23 23 ALA N N 15 125.218 . . 1 . . . A 23 ALA N . 18325 1 270 . 1 1 24 24 LEU H H 1 8.775 . . 1 . . . A 24 LEU H . 18325 1 271 . 1 1 24 24 LEU HA H 1 4.018 . . 1 . . . A 24 LEU HA . 18325 1 272 . 1 1 24 24 LEU HB2 H 1 2.029 . . 1 . . . A 24 LEU HB2 . 18325 1 273 . 1 1 24 24 LEU HB3 H 1 1.568 . . 1 . . . A 24 LEU HB3 . 18325 1 274 . 1 1 24 24 LEU HG H 1 1.942 . . 1 . . . A 24 LEU HG . 18325 1 275 . 1 1 24 24 LEU HD11 H 1 0.723 . . 2 . . . A 24 LEU HD11 . 18325 1 276 . 1 1 24 24 LEU HD12 H 1 0.723 . . 2 . . . A 24 LEU HD12 . 18325 1 277 . 1 1 24 24 LEU HD13 H 1 0.723 . . 2 . . . A 24 LEU HD13 . 18325 1 278 . 1 1 24 24 LEU HD21 H 1 0.412 . . 2 . . . A 24 LEU HD21 . 18325 1 279 . 1 1 24 24 LEU HD22 H 1 0.412 . . 2 . . . A 24 LEU HD22 . 18325 1 280 . 1 1 24 24 LEU HD23 H 1 0.412 . . 2 . . . A 24 LEU HD23 . 18325 1 281 . 1 1 24 24 LEU C C 13 179.738 . . 1 . . . A 24 LEU C . 18325 1 282 . 1 1 24 24 LEU CA C 13 58.807 . . 1 . . . A 24 LEU CA . 18325 1 283 . 1 1 24 24 LEU CB C 13 39.814 . . 1 . . . A 24 LEU CB . 18325 1 284 . 1 1 24 24 LEU CG C 13 26.226 . . 1 . . . A 24 LEU CG . 18325 1 285 . 1 1 24 24 LEU CD1 C 13 22.148 . . 1 . . . A 24 LEU CD1 . 18325 1 286 . 1 1 24 24 LEU CD2 C 13 26.226 . . 1 . . . A 24 LEU CD2 . 18325 1 287 . 1 1 24 24 LEU N N 15 120.007 . . 1 . . . A 24 LEU N . 18325 1 288 . 1 1 25 25 THR H H 1 8.636 . . 1 . . . A 25 THR H . 18325 1 289 . 1 1 25 25 THR HA H 1 4.175 . . 1 . . . A 25 THR HA . 18325 1 290 . 1 1 25 25 THR HB H 1 4.296 . . 1 . . . A 25 THR HB . 18325 1 291 . 1 1 25 25 THR HG21 H 1 1.291 . . 1 . . . A 25 THR HG21 . 18325 1 292 . 1 1 25 25 THR HG22 H 1 1.291 . . 1 . . . A 25 THR HG22 . 18325 1 293 . 1 1 25 25 THR HG23 H 1 1.291 . . 1 . . . A 25 THR HG23 . 18325 1 294 . 1 1 25 25 THR C C 13 178.539 . . 1 . . . A 25 THR C . 18325 1 295 . 1 1 25 25 THR CA C 13 67.138 . . 1 . . . A 25 THR CA . 18325 1 296 . 1 1 25 25 THR CB C 13 68.679 . . 1 . . . A 25 THR CB . 18325 1 297 . 1 1 25 25 THR CG2 C 13 22.027 . . 1 . . . A 25 THR CG2 . 18325 1 298 . 1 1 25 25 THR N N 15 118.777 . . 1 . . . A 25 THR N . 18325 1 299 . 1 1 26 26 ALA H H 1 8.357 . . 1 . . . A 26 ALA H . 18325 1 300 . 1 1 26 26 ALA HA H 1 4.188 . . 1 . . . A 26 ALA HA . 18325 1 301 . 1 1 26 26 ALA HB1 H 1 1.536 . . 1 . . . A 26 ALA HB1 . 18325 1 302 . 1 1 26 26 ALA HB2 H 1 1.536 . . 1 . . . A 26 ALA HB2 . 18325 1 303 . 1 1 26 26 ALA HB3 H 1 1.536 . . 1 . . . A 26 ALA HB3 . 18325 1 304 . 1 1 26 26 ALA C C 13 178.536 . . 1 . . . A 26 ALA C . 18325 1 305 . 1 1 26 26 ALA CA C 13 55.134 . . 1 . . . A 26 ALA CA . 18325 1 306 . 1 1 26 26 ALA CB C 13 17.887 . . 1 . . . A 26 ALA CB . 18325 1 307 . 1 1 26 26 ALA N N 15 126.122 . . 1 . . . A 26 ALA N . 18325 1 308 . 1 1 27 27 ASN H H 1 7.456 . . 1 . . . A 27 ASN H . 18325 1 309 . 1 1 27 27 ASN HA H 1 4.697 . . 1 . . . A 27 ASN HA . 18325 1 310 . 1 1 27 27 ASN HB2 H 1 2.931 . . 1 . . . A 27 ASN HB2 . 18325 1 311 . 1 1 27 27 ASN HB3 H 1 2.609 . . 1 . . . A 27 ASN HB3 . 18325 1 312 . 1 1 27 27 ASN HD21 H 1 7.627 . . 1 . . . A 27 ASN HD21 . 18325 1 313 . 1 1 27 27 ASN HD22 H 1 7.323 . . 1 . . . A 27 ASN HD22 . 18325 1 314 . 1 1 27 27 ASN C C 13 172.751 . . 1 . . . A 27 ASN C . 18325 1 315 . 1 1 27 27 ASN CA C 13 53.712 . . 1 . . . A 27 ASN CA . 18325 1 316 . 1 1 27 27 ASN CB C 13 40.648 . . 1 . . . A 27 ASN CB . 18325 1 317 . 1 1 27 27 ASN N N 15 114.755 . . 1 . . . A 27 ASN N . 18325 1 318 . 1 1 27 27 ASN ND2 N 15 113.923 . . 1 . . . A 27 ASN ND2 . 18325 1 319 . 1 1 28 28 ARG H H 1 8.183 . . 1 . . . A 28 ARG H . 18325 1 320 . 1 1 28 28 ARG HA H 1 3.934 . . 1 . . . A 28 ARG HA . 18325 1 321 . 1 1 28 28 ARG HB2 H 1 2.066 . . 1 . . . A 28 ARG HB2 . 18325 1 322 . 1 1 28 28 ARG HB3 H 1 1.998 . . 1 . . . A 28 ARG HB3 . 18325 1 323 . 1 1 28 28 ARG HG2 H 1 1.575 . . 2 . . . A 28 ARG HG2 . 18325 1 324 . 1 1 28 28 ARG HG3 H 1 1.575 . . 2 . . . A 28 ARG HG3 . 18325 1 325 . 1 1 28 28 ARG HD2 H 1 3.208 . . 2 . . . A 28 ARG HD2 . 18325 1 326 . 1 1 28 28 ARG HD3 H 1 3.208 . . 2 . . . A 28 ARG HD3 . 18325 1 327 . 1 1 28 28 ARG C C 13 175.075 . . 1 . . . A 28 ARG C . 18325 1 328 . 1 1 28 28 ARG CA C 13 57.091 . . 1 . . . A 28 ARG CA . 18325 1 329 . 1 1 28 28 ARG CB C 13 26.393 . . 1 . . . A 28 ARG CB . 18325 1 330 . 1 1 28 28 ARG CG C 13 27.541 . . 1 . . . A 28 ARG CG . 18325 1 331 . 1 1 28 28 ARG CD C 13 43.377 . . 1 . . . A 28 ARG CD . 18325 1 332 . 1 1 28 28 ARG N N 15 115.444 . . 1 . . . A 28 ARG N . 18325 1 333 . 1 1 29 29 ILE H H 1 8.004 . . 1 . . . A 29 ILE H . 18325 1 334 . 1 1 29 29 ILE HA H 1 4.079 . . 1 . . . A 29 ILE HA . 18325 1 335 . 1 1 29 29 ILE HB H 1 1.650 . . 1 . . . A 29 ILE HB . 18325 1 336 . 1 1 29 29 ILE HG12 H 1 1.512 . . 1 . . . A 29 ILE HG12 . 18325 1 337 . 1 1 29 29 ILE HG13 H 1 0.966 . . 1 . . . A 29 ILE HG13 . 18325 1 338 . 1 1 29 29 ILE HG21 H 1 0.827 . . 1 . . . A 29 ILE HG21 . 18325 1 339 . 1 1 29 29 ILE HG22 H 1 0.827 . . 1 . . . A 29 ILE HG22 . 18325 1 340 . 1 1 29 29 ILE HG23 H 1 0.827 . . 1 . . . A 29 ILE HG23 . 18325 1 341 . 1 1 29 29 ILE HD11 H 1 0.786 . . 1 . . . A 29 ILE HD11 . 18325 1 342 . 1 1 29 29 ILE HD12 H 1 0.786 . . 1 . . . A 29 ILE HD12 . 18325 1 343 . 1 1 29 29 ILE HD13 H 1 0.786 . . 1 . . . A 29 ILE HD13 . 18325 1 344 . 1 1 29 29 ILE C C 13 175.050 . . 1 . . . A 29 ILE C . 18325 1 345 . 1 1 29 29 ILE CA C 13 60.664 . . 1 . . . A 29 ILE CA . 18325 1 346 . 1 1 29 29 ILE CB C 13 38.695 . . 1 . . . A 29 ILE CB . 18325 1 347 . 1 1 29 29 ILE CG1 C 13 27.271 . . 1 . . . A 29 ILE CG1 . 18325 1 348 . 1 1 29 29 ILE CG2 C 13 18.020 . . 1 . . . A 29 ILE CG2 . 18325 1 349 . 1 1 29 29 ILE CD1 C 13 13.797 . . 1 . . . A 29 ILE CD1 . 18325 1 350 . 1 1 29 29 ILE N N 15 120.976 . . 1 . . . A 29 ILE N . 18325 1 351 . 1 1 30 30 ALA H H 1 8.329 . . 1 . . . A 30 ALA H . 18325 1 352 . 1 1 30 30 ALA HA H 1 4.168 . . 1 . . . A 30 ALA HA . 18325 1 353 . 1 1 30 30 ALA HB1 H 1 1.292 . . 1 . . . A 30 ALA HB1 . 18325 1 354 . 1 1 30 30 ALA HB2 H 1 1.292 . . 1 . . . A 30 ALA HB2 . 18325 1 355 . 1 1 30 30 ALA HB3 H 1 1.292 . . 1 . . . A 30 ALA HB3 . 18325 1 356 . 1 1 30 30 ALA C C 13 176.360 . . 1 . . . A 30 ALA C . 18325 1 357 . 1 1 30 30 ALA CA C 13 51.819 . . 1 . . . A 30 ALA CA . 18325 1 358 . 1 1 30 30 ALA CB C 13 19.641 . . 1 . . . A 30 ALA CB . 18325 1 359 . 1 1 30 30 ALA N N 15 131.099 . . 1 . . . A 30 ALA N . 18325 1 360 . 1 1 31 31 TYR H H 1 7.509 . . 1 . . . A 31 TYR H . 18325 1 361 . 1 1 31 31 TYR HA H 1 5.133 . . 1 . . . A 31 TYR HA . 18325 1 362 . 1 1 31 31 TYR HB2 H 1 2.625 . . 1 . . . A 31 TYR HB2 . 18325 1 363 . 1 1 31 31 TYR HB3 H 1 2.625 . . 1 . . . A 31 TYR HB3 . 18325 1 364 . 1 1 31 31 TYR HD1 H 1 6.664 . . 1 . . . A 31 TYR HD1 . 18325 1 365 . 1 1 31 31 TYR HD2 H 1 6.664 . . 1 . . . A 31 TYR HD2 . 18325 1 366 . 1 1 31 31 TYR HE1 H 1 6.718 . . 1 . . . A 31 TYR HE1 . 18325 1 367 . 1 1 31 31 TYR HE2 H 1 6.718 . . 1 . . . A 31 TYR HE2 . 18325 1 368 . 1 1 31 31 TYR C C 13 173.470 . . 1 . . . A 31 TYR C . 18325 1 369 . 1 1 31 31 TYR CA C 13 55.522 . . 1 . . . A 31 TYR CA . 18325 1 370 . 1 1 31 31 TYR CB C 13 41.184 . . 1 . . . A 31 TYR CB . 18325 1 371 . 1 1 31 31 TYR CD1 C 13 134.207 . . 1 . . . A 31 TYR CD1 . 18325 1 372 . 1 1 31 31 TYR CD2 C 13 134.207 . . 1 . . . A 31 TYR CD2 . 18325 1 373 . 1 1 31 31 TYR CE1 C 13 117.397 . . 1 . . . A 31 TYR CE1 . 18325 1 374 . 1 1 31 31 TYR CE2 C 13 117.397 . . 1 . . . A 31 TYR CE2 . 18325 1 375 . 1 1 31 31 TYR N N 15 114.363 . . 1 . . . A 31 TYR N . 18325 1 376 . 1 1 32 32 ASP H H 1 8.517 . . 1 . . . A 32 ASP H . 18325 1 377 . 1 1 32 32 ASP HA H 1 4.926 . . 1 . . . A 32 ASP HA . 18325 1 378 . 1 1 32 32 ASP HB2 H 1 2.487 . . 1 . . . A 32 ASP HB2 . 18325 1 379 . 1 1 32 32 ASP HB3 H 1 2.487 . . 1 . . . A 32 ASP HB3 . 18325 1 380 . 1 1 32 32 ASP C C 13 174.611 . . 1 . . . A 32 ASP C . 18325 1 381 . 1 1 32 32 ASP CA C 13 52.875 . . 1 . . . A 32 ASP CA . 18325 1 382 . 1 1 32 32 ASP CB C 13 42.843 . . 1 . . . A 32 ASP CB . 18325 1 383 . 1 1 32 32 ASP N N 15 120.754 . . 1 . . . A 32 ASP N . 18325 1 384 . 1 1 33 33 GLU H H 1 8.836 . . 1 . . . A 33 GLU H . 18325 1 385 . 1 1 33 33 GLU HA H 1 5.205 . . 1 . . . A 33 GLU HA . 18325 1 386 . 1 1 33 33 GLU HB2 H 1 1.994 . . 1 . . . A 33 GLU HB2 . 18325 1 387 . 1 1 33 33 GLU HB3 H 1 1.687 . . 1 . . . A 33 GLU HB3 . 18325 1 388 . 1 1 33 33 GLU HG2 H 1 1.990 . . 2 . . . A 33 GLU HG2 . 18325 1 389 . 1 1 33 33 GLU HG3 H 1 1.990 . . 2 . . . A 33 GLU HG3 . 18325 1 390 . 1 1 33 33 GLU C C 13 175.049 . . 1 . . . A 33 GLU C . 18325 1 391 . 1 1 33 33 GLU CA C 13 54.489 . . 1 . . . A 33 GLU CA . 18325 1 392 . 1 1 33 33 GLU CB C 13 32.425 . . 1 . . . A 33 GLU CB . 18325 1 393 . 1 1 33 33 GLU CG C 13 35.945 . . 1 . . . A 33 GLU CG . 18325 1 394 . 1 1 33 33 GLU N N 15 124.650 . . 1 . . . A 33 GLU N . 18325 1 395 . 1 1 34 34 VAL H H 1 8.615 . . 1 . . . A 34 VAL H . 18325 1 396 . 1 1 34 34 VAL HA H 1 4.062 . . 1 . . . A 34 VAL HA . 18325 1 397 . 1 1 34 34 VAL HB H 1 1.612 . . 1 . . . A 34 VAL HB . 18325 1 398 . 1 1 34 34 VAL HG11 H 1 0.592 . . 2 . . . A 34 VAL HG11 . 18325 1 399 . 1 1 34 34 VAL HG12 H 1 0.592 . . 2 . . . A 34 VAL HG12 . 18325 1 400 . 1 1 34 34 VAL HG13 H 1 0.592 . . 2 . . . A 34 VAL HG13 . 18325 1 401 . 1 1 34 34 VAL HG21 H 1 0.848 . . 2 . . . A 34 VAL HG21 . 18325 1 402 . 1 1 34 34 VAL HG22 H 1 0.848 . . 2 . . . A 34 VAL HG22 . 18325 1 403 . 1 1 34 34 VAL HG23 H 1 0.848 . . 2 . . . A 34 VAL HG23 . 18325 1 404 . 1 1 34 34 VAL C C 13 173.620 . . 1 . . . A 34 VAL C . 18325 1 405 . 1 1 34 34 VAL CA C 13 61.427 . . 1 . . . A 34 VAL CA . 18325 1 406 . 1 1 34 34 VAL CB C 13 34.690 . . 1 . . . A 34 VAL CB . 18325 1 407 . 1 1 34 34 VAL CG1 C 13 20.690 . . 1 . . . A 34 VAL CG1 . 18325 1 408 . 1 1 34 34 VAL CG2 C 13 21.140 . . 1 . . . A 34 VAL CG2 . 18325 1 409 . 1 1 34 34 VAL N N 15 128.112 . . 1 . . . A 34 VAL N . 18325 1 410 . 1 1 35 35 ASP H H 1 8.458 . . 1 . . . A 35 ASP H . 18325 1 411 . 1 1 35 35 ASP HA H 1 4.937 . . 1 . . . A 35 ASP HA . 18325 1 412 . 1 1 35 35 ASP HB2 H 1 2.807 . . 1 . . . A 35 ASP HB2 . 18325 1 413 . 1 1 35 35 ASP HB3 H 1 2.390 . . 1 . . . A 35 ASP HB3 . 18325 1 414 . 1 1 35 35 ASP C C 13 179.260 . . 1 . . . A 35 ASP C . 18325 1 415 . 1 1 35 35 ASP CA C 13 61.428 . . 1 . . . A 35 ASP CA . 18325 1 416 . 1 1 35 35 ASP CB C 13 41.858 . . 1 . . . A 35 ASP CB . 18325 1 417 . 1 1 35 35 ASP N N 15 127.319 . . 1 . . . A 35 ASP N . 18325 1 418 . 1 1 36 36 ILE H H 1 8.833 . . 1 . . . A 36 ILE H . 18325 1 419 . 1 1 36 36 ILE HA H 1 4.360 . . 1 . . . A 36 ILE HA . 18325 1 420 . 1 1 36 36 ILE HB H 1 1.998 . . 1 . . . A 36 ILE HB . 18325 1 421 . 1 1 36 36 ILE HG12 H 1 1.249 . . 1 . . . A 36 ILE HG12 . 18325 1 422 . 1 1 36 36 ILE HG13 H 1 1.146 . . 1 . . . A 36 ILE HG13 . 18325 1 423 . 1 1 36 36 ILE HG21 H 1 1.146 . . 1 . . . A 36 ILE HG21 . 18325 1 424 . 1 1 36 36 ILE HG22 H 1 1.146 . . 1 . . . A 36 ILE HG22 . 18325 1 425 . 1 1 36 36 ILE HG23 H 1 1.146 . . 1 . . . A 36 ILE HG23 . 18325 1 426 . 1 1 36 36 ILE HD11 H 1 0.737 . . 1 . . . A 36 ILE HD11 . 18325 1 427 . 1 1 36 36 ILE HD12 H 1 0.737 . . 1 . . . A 36 ILE HD12 . 18325 1 428 . 1 1 36 36 ILE HD13 H 1 0.737 . . 1 . . . A 36 ILE HD13 . 18325 1 429 . 1 1 36 36 ILE C C 13 176.943 . . 1 . . . A 36 ILE C . 18325 1 430 . 1 1 36 36 ILE CA C 13 63.681 . . 1 . . . A 36 ILE CA . 18325 1 431 . 1 1 36 36 ILE CB C 13 37.637 . . 1 . . . A 36 ILE CB . 18325 1 432 . 1 1 36 36 ILE CG1 C 13 26.310 . . 1 . . . A 36 ILE CG1 . 18325 1 433 . 1 1 36 36 ILE CG2 C 13 19.835 . . 1 . . . A 36 ILE CG2 . 18325 1 434 . 1 1 36 36 ILE CD1 C 13 15.211 . . 1 . . . A 36 ILE CD1 . 18325 1 435 . 1 1 36 36 ILE N N 15 119.537 . . 1 . . . A 36 ILE N . 18325 1 436 . 1 1 37 37 GLU H H 1 8.815 . . 1 . . . A 37 GLU H . 18325 1 437 . 1 1 37 37 GLU HA H 1 4.131 . . 1 . . . A 37 GLU HA . 18325 1 438 . 1 1 37 37 GLU HB2 H 1 2.081 . . 1 . . . A 37 GLU HB2 . 18325 1 439 . 1 1 37 37 GLU HB3 H 1 1.898 . . 1 . . . A 37 GLU HB3 . 18325 1 440 . 1 1 37 37 GLU HG2 H 1 2.412 . . 2 . . . A 37 GLU HG2 . 18325 1 441 . 1 1 37 37 GLU HG3 H 1 2.412 . . 2 . . . A 37 GLU HG3 . 18325 1 442 . 1 1 37 37 GLU C C 13 177.224 . . 1 . . . A 37 GLU C . 18325 1 443 . 1 1 37 37 GLU CA C 13 58.503 . . 1 . . . A 37 GLU CA . 18325 1 444 . 1 1 37 37 GLU CB C 13 29.312 . . 1 . . . A 37 GLU CB . 18325 1 445 . 1 1 37 37 GLU CG C 13 37.683 . . 1 . . . A 37 GLU CG . 18325 1 446 . 1 1 37 37 GLU N N 15 122.074 . . 1 . . . A 37 GLU N . 18325 1 447 . 1 1 38 38 HIS H H 1 7.661 . . 1 . . . A 38 HIS H . 18325 1 448 . 1 1 38 38 HIS HA H 1 4.846 . . 1 . . . A 38 HIS HA . 18325 1 449 . 1 1 38 38 HIS HB2 H 1 3.489 . . 1 . . . A 38 HIS HB2 . 18325 1 450 . 1 1 38 38 HIS HB3 H 1 2.890 . . 1 . . . A 38 HIS HB3 . 18325 1 451 . 1 1 38 38 HIS HD2 H 1 7.092 . . 1 . . . A 38 HIS HD2 . 18325 1 452 . 1 1 38 38 HIS C C 13 174.168 . . 1 . . . A 38 HIS C . 18325 1 453 . 1 1 38 38 HIS CA C 13 55.189 . . 1 . . . A 38 HIS CA . 18325 1 454 . 1 1 38 38 HIS CB C 13 30.936 . . 1 . . . A 38 HIS CB . 18325 1 455 . 1 1 38 38 HIS CD2 C 13 120.148 . . 1 . . . A 38 HIS CD2 . 18325 1 456 . 1 1 38 38 HIS N N 15 114.611 . . 1 . . . A 38 HIS N . 18325 1 457 . 1 1 39 39 ASN H H 1 7.095 . . 1 . . . A 39 ASN H . 18325 1 458 . 1 1 39 39 ASN HA H 1 4.900 . . 1 . . . A 39 ASN HA . 18325 1 459 . 1 1 39 39 ASN HB2 H 1 2.886 . . 1 . . . A 39 ASN HB2 . 18325 1 460 . 1 1 39 39 ASN HB3 H 1 2.733 . . 1 . . . A 39 ASN HB3 . 18325 1 461 . 1 1 39 39 ASN HD21 H 1 7.847 . . 1 . . . A 39 ASN HD21 . 18325 1 462 . 1 1 39 39 ASN HD22 H 1 7.016 . . 1 . . . A 39 ASN HD22 . 18325 1 463 . 1 1 39 39 ASN C C 13 173.626 . . 1 . . . A 39 ASN C . 18325 1 464 . 1 1 39 39 ASN CA C 13 52.634 . . 1 . . . A 39 ASN CA . 18325 1 465 . 1 1 39 39 ASN CB C 13 39.436 . . 1 . . . A 39 ASN CB . 18325 1 466 . 1 1 39 39 ASN N N 15 117.944 . . 1 . . . A 39 ASN N . 18325 1 467 . 1 1 39 39 ASN ND2 N 15 113.424 . . 1 . . . A 39 ASN ND2 . 18325 1 468 . 1 1 40 40 ARG H H 1 8.750 . . 1 . . . A 40 ARG H . 18325 1 469 . 1 1 40 40 ARG HA H 1 4.142 . . 1 . . . A 40 ARG HA . 18325 1 470 . 1 1 40 40 ARG HB2 H 1 1.877 . . 1 . . . A 40 ARG HB2 . 18325 1 471 . 1 1 40 40 ARG HB3 H 1 1.877 . . 1 . . . A 40 ARG HB3 . 18325 1 472 . 1 1 40 40 ARG HG2 H 1 1.727 . . 2 . . . A 40 ARG HG2 . 18325 1 473 . 1 1 40 40 ARG HG3 H 1 1.665 . . 2 . . . A 40 ARG HG3 . 18325 1 474 . 1 1 40 40 ARG HD2 H 1 3.222 . . 2 . . . A 40 ARG HD2 . 18325 1 475 . 1 1 40 40 ARG HD3 H 1 3.222 . . 2 . . . A 40 ARG HD3 . 18325 1 476 . 1 1 40 40 ARG C C 13 178.292 . . 1 . . . A 40 ARG C . 18325 1 477 . 1 1 40 40 ARG CA C 13 59.371 . . 1 . . . A 40 ARG CA . 18325 1 478 . 1 1 40 40 ARG CB C 13 29.919 . . 1 . . . A 40 ARG CB . 18325 1 479 . 1 1 40 40 ARG CG C 13 27.165 . . 1 . . . A 40 ARG CG . 18325 1 480 . 1 1 40 40 ARG CD C 13 43.208 . . 1 . . . A 40 ARG CD . 18325 1 481 . 1 1 40 40 ARG N N 15 126.603 . . 1 . . . A 40 ARG N . 18325 1 482 . 1 1 41 41 ALA H H 1 8.460 . . 1 . . . A 41 ALA H . 18325 1 483 . 1 1 41 41 ALA HA H 1 4.202 . . 1 . . . A 41 ALA HA . 18325 1 484 . 1 1 41 41 ALA HB1 H 1 1.485 . . 1 . . . A 41 ALA HB1 . 18325 1 485 . 1 1 41 41 ALA HB2 H 1 1.485 . . 1 . . . A 41 ALA HB2 . 18325 1 486 . 1 1 41 41 ALA HB3 H 1 1.485 . . 1 . . . A 41 ALA HB3 . 18325 1 487 . 1 1 41 41 ALA C C 13 181.236 . . 1 . . . A 41 ALA C . 18325 1 488 . 1 1 41 41 ALA CA C 13 55.076 . . 1 . . . A 41 ALA CA . 18325 1 489 . 1 1 41 41 ALA CB C 13 17.795 . . 1 . . . A 41 ALA CB . 18325 1 490 . 1 1 41 41 ALA N N 15 122.148 . . 1 . . . A 41 ALA N . 18325 1 491 . 1 1 42 42 ALA H H 1 7.973 . . 1 . . . A 42 ALA H . 18325 1 492 . 1 1 42 42 ALA HA H 1 4.224 . . 1 . . . A 42 ALA HA . 18325 1 493 . 1 1 42 42 ALA HB1 H 1 1.601 . . 1 . . . A 42 ALA HB1 . 18325 1 494 . 1 1 42 42 ALA HB2 H 1 1.601 . . 1 . . . A 42 ALA HB2 . 18325 1 495 . 1 1 42 42 ALA HB3 H 1 1.601 . . 1 . . . A 42 ALA HB3 . 18325 1 496 . 1 1 42 42 ALA C C 13 178.949 . . 1 . . . A 42 ALA C . 18325 1 497 . 1 1 42 42 ALA CA C 13 54.423 . . 1 . . . A 42 ALA CA . 18325 1 498 . 1 1 42 42 ALA CB C 13 19.786 . . 1 . . . A 42 ALA CB . 18325 1 499 . 1 1 42 42 ALA N N 15 122.394 . . 1 . . . A 42 ALA N . 18325 1 500 . 1 1 43 43 ALA H H 1 8.170 . . 1 . . . A 43 ALA H . 18325 1 501 . 1 1 43 43 ALA HA H 1 3.788 . . 1 . . . A 43 ALA HA . 18325 1 502 . 1 1 43 43 ALA HB1 H 1 1.671 . . 1 . . . A 43 ALA HB1 . 18325 1 503 . 1 1 43 43 ALA HB2 H 1 1.671 . . 1 . . . A 43 ALA HB2 . 18325 1 504 . 1 1 43 43 ALA HB3 H 1 1.671 . . 1 . . . A 43 ALA HB3 . 18325 1 505 . 1 1 43 43 ALA C C 13 179.994 . . 1 . . . A 43 ALA C . 18325 1 506 . 1 1 43 43 ALA CA C 13 56.189 . . 1 . . . A 43 ALA CA . 18325 1 507 . 1 1 43 43 ALA CB C 13 18.033 . . 1 . . . A 43 ALA CB . 18325 1 508 . 1 1 43 43 ALA N N 15 120.965 . . 1 . . . A 43 ALA N . 18325 1 509 . 1 1 44 44 GLU H H 1 8.240 . . 1 . . . A 44 GLU H . 18325 1 510 . 1 1 44 44 GLU HA H 1 3.953 . . 1 . . . A 44 GLU HA . 18325 1 511 . 1 1 44 44 GLU HB2 H 1 2.150 . . 1 . . . A 44 GLU HB2 . 18325 1 512 . 1 1 44 44 GLU HB3 H 1 2.080 . . 1 . . . A 44 GLU HB3 . 18325 1 513 . 1 1 44 44 GLU HG2 H 1 2.454 . . 2 . . . A 44 GLU HG2 . 18325 1 514 . 1 1 44 44 GLU HG3 H 1 2.267 . . 2 . . . A 44 GLU HG3 . 18325 1 515 . 1 1 44 44 GLU C C 13 179.698 . . 1 . . . A 44 GLU C . 18325 1 516 . 1 1 44 44 GLU CA C 13 58.934 . . 1 . . . A 44 GLU CA . 18325 1 517 . 1 1 44 44 GLU CB C 13 29.126 . . 1 . . . A 44 GLU CB . 18325 1 518 . 1 1 44 44 GLU CG C 13 36.533 . . 1 . . . A 44 GLU CG . 18325 1 519 . 1 1 44 44 GLU N N 15 117.052 . . 1 . . . A 44 GLU N . 18325 1 520 . 1 1 45 45 PHE H H 1 8.068 . . 1 . . . A 45 PHE H . 18325 1 521 . 1 1 45 45 PHE HA H 1 4.232 . . 1 . . . A 45 PHE HA . 18325 1 522 . 1 1 45 45 PHE HB2 H 1 3.259 . . 1 . . . A 45 PHE HB2 . 18325 1 523 . 1 1 45 45 PHE HB3 H 1 3.011 . . 1 . . . A 45 PHE HB3 . 18325 1 524 . 1 1 45 45 PHE HD1 H 1 6.819 . . 1 . . . A 45 PHE HD1 . 18325 1 525 . 1 1 45 45 PHE HD2 H 1 6.819 . . 1 . . . A 45 PHE HD2 . 18325 1 526 . 1 1 45 45 PHE HE1 H 1 7.059 . . 1 . . . A 45 PHE HE1 . 18325 1 527 . 1 1 45 45 PHE HE2 H 1 7.059 . . 1 . . . A 45 PHE HE2 . 18325 1 528 . 1 1 45 45 PHE HZ H 1 7.085 . . 1 . . . A 45 PHE HZ . 18325 1 529 . 1 1 45 45 PHE C C 13 177.994 . . 1 . . . A 45 PHE C . 18325 1 530 . 1 1 45 45 PHE CA C 13 61.170 . . 1 . . . A 45 PHE CA . 18325 1 531 . 1 1 45 45 PHE CB C 13 38.225 . . 1 . . . A 45 PHE CB . 18325 1 532 . 1 1 45 45 PHE CD1 C 13 131.603 . . 1 . . . A 45 PHE CD1 . 18325 1 533 . 1 1 45 45 PHE CD2 C 13 131.603 . . 1 . . . A 45 PHE CD2 . 18325 1 534 . 1 1 45 45 PHE CE1 C 13 131.032 . . 1 . . . A 45 PHE CE1 . 18325 1 535 . 1 1 45 45 PHE CE2 C 13 131.032 . . 1 . . . A 45 PHE CE2 . 18325 1 536 . 1 1 45 45 PHE CZ C 13 129.890 . . 1 . . . A 45 PHE CZ . 18325 1 537 . 1 1 45 45 PHE N N 15 122.282 . . 1 . . . A 45 PHE N . 18325 1 538 . 1 1 46 46 VAL H H 1 8.363 . . 1 . . . A 46 VAL H . 18325 1 539 . 1 1 46 46 VAL HA H 1 2.908 . . 1 . . . A 46 VAL HA . 18325 1 540 . 1 1 46 46 VAL HB H 1 1.911 . . 1 . . . A 46 VAL HB . 18325 1 541 . 1 1 46 46 VAL HG11 H 1 0.661 . . 2 . . . A 46 VAL HG11 . 18325 1 542 . 1 1 46 46 VAL HG12 H 1 0.661 . . 2 . . . A 46 VAL HG12 . 18325 1 543 . 1 1 46 46 VAL HG13 H 1 0.661 . . 2 . . . A 46 VAL HG13 . 18325 1 544 . 1 1 46 46 VAL HG21 H 1 0.779 . . 2 . . . A 46 VAL HG21 . 18325 1 545 . 1 1 46 46 VAL HG22 H 1 0.779 . . 2 . . . A 46 VAL HG22 . 18325 1 546 . 1 1 46 46 VAL HG23 H 1 0.779 . . 2 . . . A 46 VAL HG23 . 18325 1 547 . 1 1 46 46 VAL C C 13 178.852 . . 1 . . . A 46 VAL C . 18325 1 548 . 1 1 46 46 VAL CA C 13 67.186 . . 1 . . . A 46 VAL CA . 18325 1 549 . 1 1 46 46 VAL CB C 13 31.143 . . 1 . . . A 46 VAL CB . 18325 1 550 . 1 1 46 46 VAL CG1 C 13 22.501 . . 1 . . . A 46 VAL CG1 . 18325 1 551 . 1 1 46 46 VAL CG2 C 13 25.150 . . 1 . . . A 46 VAL CG2 . 18325 1 552 . 1 1 46 46 VAL N N 15 120.442 . . 1 . . . A 46 VAL N . 18325 1 553 . 1 1 47 47 GLY H H 1 8.187 . . 1 . . . A 47 GLY H . 18325 1 554 . 1 1 47 47 GLY HA2 H 1 3.833 . . 1 . . . A 47 GLY HA2 . 18325 1 555 . 1 1 47 47 GLY HA3 H 1 3.614 . . 1 . . . A 47 GLY HA3 . 18325 1 556 . 1 1 47 47 GLY C C 13 176.759 . . 1 . . . A 47 GLY C . 18325 1 557 . 1 1 47 47 GLY CA C 13 46.690 . . 1 . . . A 47 GLY CA . 18325 1 558 . 1 1 47 47 GLY N N 15 105.864 . . 1 . . . A 47 GLY N . 18325 1 559 . 1 1 48 48 SER H H 1 8.045 . . 1 . . . A 48 SER H . 18325 1 560 . 1 1 48 48 SER HA H 1 4.201 . . 1 . . . A 48 SER HA . 18325 1 561 . 1 1 48 48 SER HB2 H 1 3.943 . . 1 . . . A 48 SER HB2 . 18325 1 562 . 1 1 48 48 SER HB3 H 1 3.943 . . 1 . . . A 48 SER HB3 . 18325 1 563 . 1 1 48 48 SER C C 13 176.571 . . 1 . . . A 48 SER C . 18325 1 564 . 1 1 48 48 SER CA C 13 61.440 . . 1 . . . A 48 SER CA . 18325 1 565 . 1 1 48 48 SER CB C 13 62.661 . . 1 . . . A 48 SER CB . 18325 1 566 . 1 1 48 48 SER N N 15 118.796 . . 1 . . . A 48 SER N . 18325 1 567 . 1 1 49 49 VAL H H 1 7.040 . . 1 . . . A 49 VAL H . 18325 1 568 . 1 1 49 49 VAL HA H 1 4.356 . . 1 . . . A 49 VAL HA . 18325 1 569 . 1 1 49 49 VAL HB H 1 2.154 . . 1 . . . A 49 VAL HB . 18325 1 570 . 1 1 49 49 VAL HG11 H 1 0.495 . . 2 . . . A 49 VAL HG11 . 18325 1 571 . 1 1 49 49 VAL HG12 H 1 0.495 . . 2 . . . A 49 VAL HG12 . 18325 1 572 . 1 1 49 49 VAL HG13 H 1 0.495 . . 2 . . . A 49 VAL HG13 . 18325 1 573 . 1 1 49 49 VAL HG21 H 1 0.522 . . 2 . . . A 49 VAL HG21 . 18325 1 574 . 1 1 49 49 VAL HG22 H 1 0.522 . . 2 . . . A 49 VAL HG22 . 18325 1 575 . 1 1 49 49 VAL HG23 H 1 0.522 . . 2 . . . A 49 VAL HG23 . 18325 1 576 . 1 1 49 49 VAL C C 13 175.807 . . 1 . . . A 49 VAL C . 18325 1 577 . 1 1 49 49 VAL CA C 13 62.064 . . 1 . . . A 49 VAL CA . 18325 1 578 . 1 1 49 49 VAL CB C 13 31.110 . . 1 . . . A 49 VAL CB . 18325 1 579 . 1 1 49 49 VAL CG1 C 13 18.911 . . 1 . . . A 49 VAL CG1 . 18325 1 580 . 1 1 49 49 VAL CG2 C 13 21.466 . . 1 . . . A 49 VAL CG2 . 18325 1 581 . 1 1 49 49 VAL N N 15 114.967 . . 1 . . . A 49 VAL N . 18325 1 582 . 1 1 50 50 ASN H H 1 7.364 . . 1 . . . A 50 ASN H . 18325 1 583 . 1 1 50 50 ASN HA H 1 5.134 . . 1 . . . A 50 ASN HA . 18325 1 584 . 1 1 50 50 ASN HB2 H 1 3.299 . . 1 . . . A 50 ASN HB2 . 18325 1 585 . 1 1 50 50 ASN HB3 H 1 3.131 . . 1 . . . A 50 ASN HB3 . 18325 1 586 . 1 1 50 50 ASN HD21 H 1 7.265 . . 1 . . . A 50 ASN HD21 . 18325 1 587 . 1 1 50 50 ASN HD22 H 1 6.739 . . 1 . . . A 50 ASN HD22 . 18325 1 588 . 1 1 50 50 ASN C C 13 176.473 . . 1 . . . A 50 ASN C . 18325 1 589 . 1 1 50 50 ASN CA C 13 53.454 . . 1 . . . A 50 ASN CA . 18325 1 590 . 1 1 50 50 ASN CB C 13 40.815 . . 1 . . . A 50 ASN CB . 18325 1 591 . 1 1 50 50 ASN N N 15 119.765 . . 1 . . . A 50 ASN N . 18325 1 592 . 1 1 50 50 ASN ND2 N 15 117.230 . . 1 . . . A 50 ASN ND2 . 18325 1 593 . 1 1 51 51 GLY H H 1 8.546 . . 1 . . . A 51 GLY H . 18325 1 594 . 1 1 51 51 GLY HA2 H 1 3.884 . . 1 . . . A 51 GLY HA2 . 18325 1 595 . 1 1 51 51 GLY HA3 H 1 3.884 . . 1 . . . A 51 GLY HA3 . 18325 1 596 . 1 1 51 51 GLY C C 13 174.967 . . 1 . . . A 51 GLY C . 18325 1 597 . 1 1 51 51 GLY CA C 13 47.543 . . 1 . . . A 51 GLY CA . 18325 1 598 . 1 1 51 51 GLY N N 15 110.407 . . 1 . . . A 51 GLY N . 18325 1 599 . 1 1 52 52 GLY H H 1 8.810 . . 1 . . . A 52 GLY H . 18325 1 600 . 1 1 52 52 GLY HA2 H 1 4.318 . . 1 . . . A 52 GLY HA2 . 18325 1 601 . 1 1 52 52 GLY HA3 H 1 3.375 . . 1 . . . A 52 GLY HA3 . 18325 1 602 . 1 1 52 52 GLY C C 13 174.134 . . 1 . . . A 52 GLY C . 18325 1 603 . 1 1 52 52 GLY CA C 13 44.424 . . 1 . . . A 52 GLY CA . 18325 1 604 . 1 1 52 52 GLY N N 15 106.482 . . 1 . . . A 52 GLY N . 18325 1 605 . 1 1 53 53 ASN H H 1 7.330 . . 1 . . . A 53 ASN H . 18325 1 606 . 1 1 53 53 ASN HA H 1 4.738 . . 1 . . . A 53 ASN HA . 18325 1 607 . 1 1 53 53 ASN HB2 H 1 2.775 . . 1 . . . A 53 ASN HB2 . 18325 1 608 . 1 1 53 53 ASN HB3 H 1 2.607 . . 1 . . . A 53 ASN HB3 . 18325 1 609 . 1 1 53 53 ASN HD21 H 1 7.589 . . 1 . . . A 53 ASN HD21 . 18325 1 610 . 1 1 53 53 ASN HD22 H 1 7.023 . . 1 . . . A 53 ASN HD22 . 18325 1 611 . 1 1 53 53 ASN C C 13 174.828 . . 1 . . . A 53 ASN C . 18325 1 612 . 1 1 53 53 ASN CA C 13 52.654 . . 1 . . . A 53 ASN CA . 18325 1 613 . 1 1 53 53 ASN CB C 13 40.237 . . 1 . . . A 53 ASN CB . 18325 1 614 . 1 1 53 53 ASN N N 15 119.129 . . 1 . . . A 53 ASN N . 18325 1 615 . 1 1 53 53 ASN ND2 N 15 114.974 . . 1 . . . A 53 ASN ND2 . 18325 1 616 . 1 1 54 54 ARG H H 1 8.826 . . 1 . . . A 54 ARG H . 18325 1 617 . 1 1 54 54 ARG HA H 1 4.134 . . 1 . . . A 54 ARG HA . 18325 1 618 . 1 1 54 54 ARG HB2 H 1 1.693 . . 1 . . . A 54 ARG HB2 . 18325 1 619 . 1 1 54 54 ARG HB3 H 1 1.693 . . 1 . . . A 54 ARG HB3 . 18325 1 620 . 1 1 54 54 ARG HG2 H 1 1.838 . . 2 . . . A 54 ARG HG2 . 18325 1 621 . 1 1 54 54 ARG HG3 H 1 1.838 . . 2 . . . A 54 ARG HG3 . 18325 1 622 . 1 1 54 54 ARG HD2 H 1 3.222 . . 2 . . . A 54 ARG HD2 . 18325 1 623 . 1 1 54 54 ARG HD3 H 1 3.077 . . 2 . . . A 54 ARG HD3 . 18325 1 624 . 1 1 54 54 ARG C C 13 174.863 . . 1 . . . A 54 ARG C . 18325 1 625 . 1 1 54 54 ARG CA C 13 55.132 . . 1 . . . A 54 ARG CA . 18325 1 626 . 1 1 54 54 ARG CB C 13 27.409 . . 1 . . . A 54 ARG CB . 18325 1 627 . 1 1 54 54 ARG CG C 13 28.012 . . 1 . . . A 54 ARG CG . 18325 1 628 . 1 1 54 54 ARG CD C 13 43.939 . . 1 . . . A 54 ARG CD . 18325 1 629 . 1 1 54 54 ARG N N 15 125.094 . . 1 . . . A 54 ARG N . 18325 1 630 . 1 1 55 55 THR H H 1 6.994 . . 1 . . . A 55 THR H . 18325 1 631 . 1 1 55 55 THR HA H 1 4.020 . . 1 . . . A 55 THR HA . 18325 1 632 . 1 1 55 55 THR HB H 1 3.507 . . 1 . . . A 55 THR HB . 18325 1 633 . 1 1 55 55 THR HG21 H 1 0.993 . . 1 . . . A 55 THR HG21 . 18325 1 634 . 1 1 55 55 THR HG22 H 1 0.993 . . 1 . . . A 55 THR HG22 . 18325 1 635 . 1 1 55 55 THR HG23 H 1 0.993 . . 1 . . . A 55 THR HG23 . 18325 1 636 . 1 1 55 55 THR C C 13 172.459 . . 1 . . . A 55 THR C . 18325 1 637 . 1 1 55 55 THR CA C 13 63.451 . . 1 . . . A 55 THR CA . 18325 1 638 . 1 1 55 55 THR CB C 13 69.158 . . 1 . . . A 55 THR CB . 18325 1 639 . 1 1 55 55 THR CG2 C 13 22.704 . . 1 . . . A 55 THR CG2 . 18325 1 640 . 1 1 55 55 THR N N 15 117.920 . . 1 . . . A 55 THR N . 18325 1 641 . 1 1 56 56 VAL H H 1 8.172 . . 1 . . . A 56 VAL H . 18325 1 642 . 1 1 56 56 VAL HA H 1 4.735 . . 1 . . . A 56 VAL HA . 18325 1 643 . 1 1 56 56 VAL HB H 1 2.206 . . 1 . . . A 56 VAL HB . 18325 1 644 . 1 1 56 56 VAL HG11 H 1 0.768 . . 1 . . . A 56 VAL HG11 . 18325 1 645 . 1 1 56 56 VAL HG12 H 1 0.768 . . 1 . . . A 56 VAL HG12 . 18325 1 646 . 1 1 56 56 VAL HG13 H 1 0.768 . . 1 . . . A 56 VAL HG13 . 18325 1 647 . 1 1 56 56 VAL HG21 H 1 0.971 . . 1 . . . A 56 VAL HG21 . 18325 1 648 . 1 1 56 56 VAL HG22 H 1 0.971 . . 1 . . . A 56 VAL HG22 . 18325 1 649 . 1 1 56 56 VAL HG23 H 1 0.971 . . 1 . . . A 56 VAL HG23 . 18325 1 650 . 1 1 56 56 VAL CA C 13 56.872 . . 1 . . . A 56 VAL CA . 18325 1 651 . 1 1 56 56 VAL CB C 13 34.378 . . 1 . . . A 56 VAL CB . 18325 1 652 . 1 1 56 56 VAL CG1 C 13 23.073 . . 2 . . . A 56 VAL CG1 . 18325 1 653 . 1 1 56 56 VAL CG2 C 13 17.820 . . 1 . . . A 56 VAL CG2 . 18325 1 654 . 1 1 56 56 VAL N N 15 117.300 . . 1 . . . A 56 VAL N . 18325 1 655 . 1 1 57 57 PRO HA H 1 5.350 . . 1 . . . A 57 PRO HA . 18325 1 656 . 1 1 57 57 PRO HB2 H 1 2.284 . . 1 . . . A 57 PRO HB2 . 18325 1 657 . 1 1 57 57 PRO HB3 H 1 1.626 . . 1 . . . A 57 PRO HB3 . 18325 1 658 . 1 1 57 57 PRO HG2 H 1 2.191 . . 2 . . . A 57 PRO HG2 . 18325 1 659 . 1 1 57 57 PRO HG3 H 1 1.921 . . 2 . . . A 57 PRO HG3 . 18325 1 660 . 1 1 57 57 PRO HD2 H 1 4.212 . . 2 . . . A 57 PRO HD2 . 18325 1 661 . 1 1 57 57 PRO HD3 H 1 3.409 . . 2 . . . A 57 PRO HD3 . 18325 1 662 . 1 1 57 57 PRO C C 13 176.879 . . 1 . . . A 57 PRO C . 18325 1 663 . 1 1 57 57 PRO CA C 13 62.246 . . 1 . . . A 57 PRO CA . 18325 1 664 . 1 1 57 57 PRO CB C 13 34.293 . . 1 . . . A 57 PRO CB . 18325 1 665 . 1 1 57 57 PRO CG C 13 25.898 . . 1 . . . A 57 PRO CG . 18325 1 666 . 1 1 57 57 PRO CD C 13 50.112 . . 1 . . . A 57 PRO CD . 18325 1 667 . 1 1 58 58 THR H H 1 7.948 . . 1 . . . A 58 THR H . 18325 1 668 . 1 1 58 58 THR HA H 1 5.042 . . 1 . . . A 58 THR HA . 18325 1 669 . 1 1 58 58 THR HB H 1 3.939 . . 1 . . . A 58 THR HB . 18325 1 670 . 1 1 58 58 THR HG21 H 1 1.132 . . 1 . . . A 58 THR HG21 . 18325 1 671 . 1 1 58 58 THR HG22 H 1 1.132 . . 1 . . . A 58 THR HG22 . 18325 1 672 . 1 1 58 58 THR HG23 H 1 1.132 . . 1 . . . A 58 THR HG23 . 18325 1 673 . 1 1 58 58 THR C C 13 172.321 . . 1 . . . A 58 THR C . 18325 1 674 . 1 1 58 58 THR CA C 13 63.449 . . 1 . . . A 58 THR CA . 18325 1 675 . 1 1 58 58 THR CB C 13 71.892 . . 1 . . . A 58 THR CB . 18325 1 676 . 1 1 58 58 THR CG2 C 13 20.770 . . 1 . . . A 58 THR CG2 . 18325 1 677 . 1 1 58 58 THR N N 15 120.440 . . 1 . . . A 58 THR N . 18325 1 678 . 1 1 59 59 VAL H H 1 9.428 . . 1 . . . A 59 VAL H . 18325 1 679 . 1 1 59 59 VAL HA H 1 5.095 . . 1 . . . A 59 VAL HA . 18325 1 680 . 1 1 59 59 VAL HB H 1 1.827 . . 1 . . . A 59 VAL HB . 18325 1 681 . 1 1 59 59 VAL HG11 H 1 0.322 . . 1 . . . A 59 VAL HG11 . 18325 1 682 . 1 1 59 59 VAL HG12 H 1 0.322 . . 1 . . . A 59 VAL HG12 . 18325 1 683 . 1 1 59 59 VAL HG13 H 1 0.322 . . 1 . . . A 59 VAL HG13 . 18325 1 684 . 1 1 59 59 VAL HG21 H 1 0.709 . . 1 . . . A 59 VAL HG21 . 18325 1 685 . 1 1 59 59 VAL HG22 H 1 0.709 . . 1 . . . A 59 VAL HG22 . 18325 1 686 . 1 1 59 59 VAL HG23 H 1 0.709 . . 1 . . . A 59 VAL HG23 . 18325 1 687 . 1 1 59 59 VAL C C 13 173.176 . . 1 . . . A 59 VAL C . 18325 1 688 . 1 1 59 59 VAL CA C 13 60.133 . . 1 . . . A 59 VAL CA . 18325 1 689 . 1 1 59 59 VAL CB C 13 34.117 . . 1 . . . A 59 VAL CB . 18325 1 690 . 1 1 59 59 VAL CG1 C 13 22.800 . . 1 . . . A 59 VAL CG1 . 18325 1 691 . 1 1 59 59 VAL CG2 C 13 22.210 . . 1 . . . A 59 VAL CG2 . 18325 1 692 . 1 1 59 59 VAL N N 15 126.444 . . 1 . . . A 59 VAL N . 18325 1 693 . 1 1 60 60 LYS H H 1 9.214 . . 1 . . . A 60 LYS H . 18325 1 694 . 1 1 60 60 LYS HA H 1 5.379 . . 1 . . . A 60 LYS HA . 18325 1 695 . 1 1 60 60 LYS HB2 H 1 1.857 . . 1 . . . A 60 LYS HB2 . 18325 1 696 . 1 1 60 60 LYS HB3 H 1 1.710 . . 1 . . . A 60 LYS HB3 . 18325 1 697 . 1 1 60 60 LYS HG2 H 1 1.637 . . 2 . . . A 60 LYS HG2 . 18325 1 698 . 1 1 60 60 LYS HG3 H 1 1.637 . . 2 . . . A 60 LYS HG3 . 18325 1 699 . 1 1 60 60 LYS HD2 H 1 1.519 . . 2 . . . A 60 LYS HD2 . 18325 1 700 . 1 1 60 60 LYS HD3 H 1 1.519 . . 2 . . . A 60 LYS HD3 . 18325 1 701 . 1 1 60 60 LYS HE2 H 1 2.897 . . 2 . . . A 60 LYS HE2 . 18325 1 702 . 1 1 60 60 LYS HE3 H 1 2.800 . . 2 . . . A 60 LYS HE3 . 18325 1 703 . 1 1 60 60 LYS C C 13 175.404 . . 1 . . . A 60 LYS C . 18325 1 704 . 1 1 60 60 LYS CA C 13 54.611 . . 1 . . . A 60 LYS CA . 18325 1 705 . 1 1 60 60 LYS CB C 13 37.601 . . 1 . . . A 60 LYS CB . 18325 1 706 . 1 1 60 60 LYS CG C 13 24.299 . . 1 . . . A 60 LYS CG . 18325 1 707 . 1 1 60 60 LYS CD C 13 29.486 . . 1 . . . A 60 LYS CD . 18325 1 708 . 1 1 60 60 LYS CE C 13 41.501 . . 1 . . . A 60 LYS CE . 18325 1 709 . 1 1 60 60 LYS N N 15 126.183 . . 1 . . . A 60 LYS N . 18325 1 710 . 1 1 61 61 PHE H H 1 9.069 . . 1 . . . A 61 PHE H . 18325 1 711 . 1 1 61 61 PHE HA H 1 4.736 . . 1 . . . A 61 PHE HA . 18325 1 712 . 1 1 61 61 PHE HB2 H 1 3.325 . . 1 . . . A 61 PHE HB2 . 18325 1 713 . 1 1 61 61 PHE HB3 H 1 3.113 . . 1 . . . A 61 PHE HB3 . 18325 1 714 . 1 1 61 61 PHE HD1 H 1 7.411 . . 1 . . . A 61 PHE HD1 . 18325 1 715 . 1 1 61 61 PHE HD2 H 1 7.411 . . 1 . . . A 61 PHE HD2 . 18325 1 716 . 1 1 61 61 PHE HE1 H 1 7.145 . . 1 . . . A 61 PHE HE1 . 18325 1 717 . 1 1 61 61 PHE HE2 H 1 7.145 . . 1 . . . A 61 PHE HE2 . 18325 1 718 . 1 1 61 61 PHE HZ H 1 7.022 . . 1 . . . A 61 PHE HZ . 18325 1 719 . 1 1 61 61 PHE C C 13 178.102 . . 1 . . . A 61 PHE C . 18325 1 720 . 1 1 61 61 PHE CA C 13 58.048 . . 1 . . . A 61 PHE CA . 18325 1 721 . 1 1 61 61 PHE CB C 13 41.221 . . 1 . . . A 61 PHE CB . 18325 1 722 . 1 1 61 61 PHE CD1 C 13 132.950 . . 1 . . . A 61 PHE CD1 . 18325 1 723 . 1 1 61 61 PHE CD2 C 13 132.950 . . 1 . . . A 61 PHE CD2 . 18325 1 724 . 1 1 61 61 PHE CE1 C 13 130.706 . . 1 . . . A 61 PHE CE1 . 18325 1 725 . 1 1 61 61 PHE CE2 C 13 130.706 . . 1 . . . A 61 PHE CE2 . 18325 1 726 . 1 1 61 61 PHE CZ C 13 128.364 . . 1 . . . A 61 PHE CZ . 18325 1 727 . 1 1 61 61 PHE N N 15 126.709 . . 1 . . . A 61 PHE N . 18325 1 728 . 1 1 62 62 ALA H H 1 9.728 . . 1 . . . A 62 ALA H . 18325 1 729 . 1 1 62 62 ALA HA H 1 4.134 . . 1 . . . A 62 ALA HA . 18325 1 730 . 1 1 62 62 ALA HB1 H 1 1.542 . . 1 . . . A 62 ALA HB1 . 18325 1 731 . 1 1 62 62 ALA HB2 H 1 1.542 . . 1 . . . A 62 ALA HB2 . 18325 1 732 . 1 1 62 62 ALA HB3 H 1 1.542 . . 1 . . . A 62 ALA HB3 . 18325 1 733 . 1 1 62 62 ALA C C 13 177.754 . . 1 . . . A 62 ALA C . 18325 1 734 . 1 1 62 62 ALA CA C 13 54.940 . . 1 . . . A 62 ALA CA . 18325 1 735 . 1 1 62 62 ALA CB C 13 19.243 . . 1 . . . A 62 ALA CB . 18325 1 736 . 1 1 62 62 ALA N N 15 123.358 . . 1 . . . A 62 ALA N . 18325 1 737 . 1 1 63 63 ASP H H 1 7.675 . . 1 . . . A 63 ASP H . 18325 1 738 . 1 1 63 63 ASP HA H 1 4.586 . . 1 . . . A 63 ASP HA . 18325 1 739 . 1 1 63 63 ASP HB2 H 1 3.127 . . 1 . . . A 63 ASP HB2 . 18325 1 740 . 1 1 63 63 ASP HB3 H 1 2.557 . . 1 . . . A 63 ASP HB3 . 18325 1 741 . 1 1 63 63 ASP C C 13 177.032 . . 1 . . . A 63 ASP C . 18325 1 742 . 1 1 63 63 ASP CA C 13 53.141 . . 1 . . . A 63 ASP CA . 18325 1 743 . 1 1 63 63 ASP CB C 13 40.040 . . 1 . . . A 63 ASP CB . 18325 1 744 . 1 1 63 63 ASP N N 15 113.412 . . 1 . . . A 63 ASP N . 18325 1 745 . 1 1 64 64 GLY H H 1 8.361 . . 1 . . . A 64 GLY H . 18325 1 746 . 1 1 64 64 GLY HA2 H 1 4.435 . . 1 . . . A 64 GLY HA2 . 18325 1 747 . 1 1 64 64 GLY HA3 H 1 3.557 . . 1 . . . A 64 GLY HA3 . 18325 1 748 . 1 1 64 64 GLY C C 13 173.680 . . 1 . . . A 64 GLY C . 18325 1 749 . 1 1 64 64 GLY CA C 13 45.328 . . 1 . . . A 64 GLY CA . 18325 1 750 . 1 1 64 64 GLY N N 15 109.285 . . 1 . . . A 64 GLY N . 18325 1 751 . 1 1 65 65 SER H H 1 8.287 . . 1 . . . A 65 SER H . 18325 1 752 . 1 1 65 65 SER HA H 1 4.567 . . 1 . . . A 65 SER HA . 18325 1 753 . 1 1 65 65 SER HB2 H 1 4.142 . . 1 . . . A 65 SER HB2 . 18325 1 754 . 1 1 65 65 SER HB3 H 1 3.945 . . 1 . . . A 65 SER HB3 . 18325 1 755 . 1 1 65 65 SER C C 13 173.595 . . 1 . . . A 65 SER C . 18325 1 756 . 1 1 65 65 SER CA C 13 58.964 . . 1 . . . A 65 SER CA . 18325 1 757 . 1 1 65 65 SER CB C 13 64.637 . . 1 . . . A 65 SER CB . 18325 1 758 . 1 1 65 65 SER N N 15 117.733 . . 1 . . . A 65 SER N . 18325 1 759 . 1 1 66 66 THR H H 1 8.221 . . 1 . . . A 66 THR H . 18325 1 760 . 1 1 66 66 THR HA H 1 6.250 . . 1 . . . A 66 THR HA . 18325 1 761 . 1 1 66 66 THR HB H 1 4.154 . . 1 . . . A 66 THR HB . 18325 1 762 . 1 1 66 66 THR HG21 H 1 1.332 . . 1 . . . A 66 THR HG21 . 18325 1 763 . 1 1 66 66 THR HG22 H 1 1.332 . . 1 . . . A 66 THR HG22 . 18325 1 764 . 1 1 66 66 THR HG23 H 1 1.332 . . 1 . . . A 66 THR HG23 . 18325 1 765 . 1 1 66 66 THR C C 13 175.730 . . 1 . . . A 66 THR C . 18325 1 766 . 1 1 66 66 THR CA C 13 59.494 . . 1 . . . A 66 THR CA . 18325 1 767 . 1 1 66 66 THR CB C 13 73.049 . . 1 . . . A 66 THR CB . 18325 1 768 . 1 1 66 66 THR CG2 C 13 21.524 . . 1 . . . A 66 THR CG2 . 18325 1 769 . 1 1 66 66 THR N N 15 106.725 . . 1 . . . A 66 THR N . 18325 1 770 . 1 1 67 67 LEU H H 1 8.763 . . 1 . . . A 67 LEU H . 18325 1 771 . 1 1 67 67 LEU HA H 1 4.868 . . 1 . . . A 67 LEU HA . 18325 1 772 . 1 1 67 67 LEU HB2 H 1 1.566 . . 1 . . . A 67 LEU HB2 . 18325 1 773 . 1 1 67 67 LEU HB3 H 1 1.566 . . 1 . . . A 67 LEU HB3 . 18325 1 774 . 1 1 67 67 LEU HG H 1 1.775 . . 1 . . . A 67 LEU HG . 18325 1 775 . 1 1 67 67 LEU HD11 H 1 1.139 . . 2 . . . A 67 LEU HD11 . 18325 1 776 . 1 1 67 67 LEU HD12 H 1 1.139 . . 2 . . . A 67 LEU HD12 . 18325 1 777 . 1 1 67 67 LEU HD13 H 1 1.139 . . 2 . . . A 67 LEU HD13 . 18325 1 778 . 1 1 67 67 LEU HD21 H 1 0.910 . . 2 . . . A 67 LEU HD21 . 18325 1 779 . 1 1 67 67 LEU HD22 H 1 0.910 . . 2 . . . A 67 LEU HD22 . 18325 1 780 . 1 1 67 67 LEU HD23 H 1 0.910 . . 2 . . . A 67 LEU HD23 . 18325 1 781 . 1 1 67 67 LEU C C 13 176.030 . . 1 . . . A 67 LEU C . 18325 1 782 . 1 1 67 67 LEU CA C 13 54.768 . . 1 . . . A 67 LEU CA . 18325 1 783 . 1 1 67 67 LEU CB C 13 47.406 . . 1 . . . A 67 LEU CB . 18325 1 784 . 1 1 67 67 LEU CG C 13 26.157 . . 1 . . . A 67 LEU CG . 18325 1 785 . 1 1 67 67 LEU CD1 C 13 22.697 . . 1 . . . A 67 LEU CD1 . 18325 1 786 . 1 1 67 67 LEU CD2 C 13 22.697 . . 1 . . . A 67 LEU CD2 . 18325 1 787 . 1 1 67 67 LEU N N 15 117.517 . . 1 . . . A 67 LEU N . 18325 1 788 . 1 1 68 68 THR H H 1 9.226 . . 1 . . . A 68 THR H . 18325 1 789 . 1 1 68 68 THR HA H 1 4.616 . . 1 . . . A 68 THR HA . 18325 1 790 . 1 1 68 68 THR HB H 1 3.974 . . 1 . . . A 68 THR HB . 18325 1 791 . 1 1 68 68 THR HG21 H 1 1.118 . . 1 . . . A 68 THR HG21 . 18325 1 792 . 1 1 68 68 THR HG22 H 1 1.118 . . 1 . . . A 68 THR HG22 . 18325 1 793 . 1 1 68 68 THR HG23 H 1 1.118 . . 1 . . . A 68 THR HG23 . 18325 1 794 . 1 1 68 68 THR C C 13 173.201 . . 1 . . . A 68 THR C . 18325 1 795 . 1 1 68 68 THR CA C 13 62.802 . . 1 . . . A 68 THR CA . 18325 1 796 . 1 1 68 68 THR CB C 13 69.226 . . 1 . . . A 68 THR CB . 18325 1 797 . 1 1 68 68 THR CG2 C 13 22.199 . . 1 . . . A 68 THR CG2 . 18325 1 798 . 1 1 68 68 THR N N 15 120.988 . . 1 . . . A 68 THR N . 18325 1 799 . 1 1 69 69 ASN H H 1 9.097 . . 1 . . . A 69 ASN H . 18325 1 800 . 1 1 69 69 ASN HA H 1 4.290 . . 1 . . . A 69 ASN HA . 18325 1 801 . 1 1 69 69 ASN HB2 H 1 3.110 . . 1 . . . A 69 ASN HB2 . 18325 1 802 . 1 1 69 69 ASN HB3 H 1 2.229 . . 1 . . . A 69 ASN HB3 . 18325 1 803 . 1 1 69 69 ASN HD21 H 1 7.268 . . 1 . . . A 69 ASN HD21 . 18325 1 804 . 1 1 69 69 ASN HD22 H 1 5.740 . . 1 . . . A 69 ASN HD22 . 18325 1 805 . 1 1 69 69 ASN CA C 13 54.466 . . 1 . . . A 69 ASN CA . 18325 1 806 . 1 1 69 69 ASN CB C 13 38.731 . . 1 . . . A 69 ASN CB . 18325 1 807 . 1 1 69 69 ASN N N 15 122.679 . . 1 . . . A 69 ASN N . 18325 1 808 . 1 1 69 69 ASN ND2 N 15 108.710 . . 1 . . . A 69 ASN ND2 . 18325 1 809 . 1 1 70 70 PRO HA H 1 4.869 . . 1 . . . A 70 PRO HA . 18325 1 810 . 1 1 70 70 PRO HB2 H 1 2.270 . . 1 . . . A 70 PRO HB2 . 18325 1 811 . 1 1 70 70 PRO HB3 H 1 2.087 . . 1 . . . A 70 PRO HB3 . 18325 1 812 . 1 1 70 70 PRO HG2 H 1 1.859 . . 2 . . . A 70 PRO HG2 . 18325 1 813 . 1 1 70 70 PRO HG3 H 1 1.595 . . 2 . . . A 70 PRO HG3 . 18325 1 814 . 1 1 70 70 PRO HD2 H 1 3.285 . . 2 . . . A 70 PRO HD2 . 18325 1 815 . 1 1 70 70 PRO HD3 H 1 3.285 . . 2 . . . A 70 PRO HD3 . 18325 1 816 . 1 1 70 70 PRO C C 13 177.239 . . 1 . . . A 70 PRO C . 18325 1 817 . 1 1 70 70 PRO CA C 13 63.057 . . 1 . . . A 70 PRO CA . 18325 1 818 . 1 1 70 70 PRO CB C 13 32.153 . . 1 . . . A 70 PRO CB . 18325 1 819 . 1 1 70 70 PRO CG C 13 27.349 . . 1 . . . A 70 PRO CG . 18325 1 820 . 1 1 70 70 PRO CD C 13 49.914 . . 1 . . . A 70 PRO CD . 18325 1 821 . 1 1 71 71 SER H H 1 8.932 . . 1 . . . A 71 SER H . 18325 1 822 . 1 1 71 71 SER HA H 1 4.620 . . 1 . . . A 71 SER HA . 18325 1 823 . 1 1 71 71 SER HB2 H 1 4.418 . . 1 . . . A 71 SER HB2 . 18325 1 824 . 1 1 71 71 SER HB3 H 1 4.023 . . 1 . . . A 71 SER HB3 . 18325 1 825 . 1 1 71 71 SER C C 13 175.966 . . 1 . . . A 71 SER C . 18325 1 826 . 1 1 71 71 SER CA C 13 56.624 . . 1 . . . A 71 SER CA . 18325 1 827 . 1 1 71 71 SER CB C 13 65.562 . . 1 . . . A 71 SER CB . 18325 1 828 . 1 1 71 71 SER N N 15 115.373 . . 1 . . . A 71 SER N . 18325 1 829 . 1 1 72 72 ALA H H 1 9.235 . . 1 . . . A 72 ALA H . 18325 1 830 . 1 1 72 72 ALA HA H 1 3.763 . . 1 . . . A 72 ALA HA . 18325 1 831 . 1 1 72 72 ALA HB1 H 1 1.326 . . 1 . . . A 72 ALA HB1 . 18325 1 832 . 1 1 72 72 ALA HB2 H 1 1.326 . . 1 . . . A 72 ALA HB2 . 18325 1 833 . 1 1 72 72 ALA HB3 H 1 1.326 . . 1 . . . A 72 ALA HB3 . 18325 1 834 . 1 1 72 72 ALA C C 13 179.550 . . 1 . . . A 72 ALA C . 18325 1 835 . 1 1 72 72 ALA CA C 13 55.970 . . 1 . . . A 72 ALA CA . 18325 1 836 . 1 1 72 72 ALA CB C 13 17.873 . . 1 . . . A 72 ALA CB . 18325 1 837 . 1 1 72 72 ALA N N 15 124.008 . . 1 . . . A 72 ALA N . 18325 1 838 . 1 1 73 73 ASP H H 1 8.277 . . 1 . . . A 73 ASP H . 18325 1 839 . 1 1 73 73 ASP HA H 1 4.330 . . 1 . . . A 73 ASP HA . 18325 1 840 . 1 1 73 73 ASP HB2 H 1 2.579 . . 1 . . . A 73 ASP HB2 . 18325 1 841 . 1 1 73 73 ASP HB3 H 1 2.579 . . 1 . . . A 73 ASP HB3 . 18325 1 842 . 1 1 73 73 ASP C C 13 179.219 . . 1 . . . A 73 ASP C . 18325 1 843 . 1 1 73 73 ASP CA C 13 57.583 . . 1 . . . A 73 ASP CA . 18325 1 844 . 1 1 73 73 ASP CB C 13 40.300 . . 1 . . . A 73 ASP CB . 18325 1 845 . 1 1 73 73 ASP N N 15 116.584 . . 1 . . . A 73 ASP N . 18325 1 846 . 1 1 74 74 GLU H H 1 7.925 . . 1 . . . A 74 GLU H . 18325 1 847 . 1 1 74 74 GLU HA H 1 4.015 . . 1 . . . A 74 GLU HA . 18325 1 848 . 1 1 74 74 GLU HB2 H 1 2.420 . . 1 . . . A 74 GLU HB2 . 18325 1 849 . 1 1 74 74 GLU HB3 H 1 1.920 . . 1 . . . A 74 GLU HB3 . 18325 1 850 . 1 1 74 74 GLU HG2 H 1 2.334 . . 1 . . . A 74 GLU HG2 . 18325 1 851 . 1 1 74 74 GLU HG3 H 1 2.290 . . 1 . . . A 74 GLU HG3 . 18325 1 852 . 1 1 74 74 GLU C C 13 180.045 . . 1 . . . A 74 GLU C . 18325 1 853 . 1 1 74 74 GLU CA C 13 59.199 . . 1 . . . A 74 GLU CA . 18325 1 854 . 1 1 74 74 GLU CB C 13 30.074 . . 1 . . . A 74 GLU CB . 18325 1 855 . 1 1 74 74 GLU CG C 13 37.570 . . 1 . . . A 74 GLU CG . 18325 1 856 . 1 1 74 74 GLU N N 15 122.057 . . 1 . . . A 74 GLU N . 18325 1 857 . 1 1 75 75 VAL H H 1 7.885 . . 1 . . . A 75 VAL H . 18325 1 858 . 1 1 75 75 VAL HA H 1 3.681 . . 1 . . . A 75 VAL HA . 18325 1 859 . 1 1 75 75 VAL HB H 1 2.352 . . 1 . . . A 75 VAL HB . 18325 1 860 . 1 1 75 75 VAL HG11 H 1 1.035 . . 2 . . . A 75 VAL HG11 . 18325 1 861 . 1 1 75 75 VAL HG12 H 1 1.035 . . 2 . . . A 75 VAL HG12 . 18325 1 862 . 1 1 75 75 VAL HG13 H 1 1.035 . . 2 . . . A 75 VAL HG13 . 18325 1 863 . 1 1 75 75 VAL HG21 H 1 1.076 . . 2 . . . A 75 VAL HG21 . 18325 1 864 . 1 1 75 75 VAL HG22 H 1 1.076 . . 2 . . . A 75 VAL HG22 . 18325 1 865 . 1 1 75 75 VAL HG23 H 1 1.076 . . 2 . . . A 75 VAL HG23 . 18325 1 866 . 1 1 75 75 VAL C C 13 177.008 . . 1 . . . A 75 VAL C . 18325 1 867 . 1 1 75 75 VAL CA C 13 67.172 . . 1 . . . A 75 VAL CA . 18325 1 868 . 1 1 75 75 VAL CB C 13 31.237 . . 1 . . . A 75 VAL CB . 18325 1 869 . 1 1 75 75 VAL CG1 C 13 22.467 . . 1 . . . A 75 VAL CG1 . 18325 1 870 . 1 1 75 75 VAL CG2 C 13 23.628 . . 1 . . . A 75 VAL CG2 . 18325 1 871 . 1 1 75 75 VAL N N 15 120.141 . . 1 . . . A 75 VAL N . 18325 1 872 . 1 1 76 76 LYS H H 1 8.298 . . 1 . . . A 76 LYS H . 18325 1 873 . 1 1 76 76 LYS HA H 1 3.827 . . 1 . . . A 76 LYS HA . 18325 1 874 . 1 1 76 76 LYS HB2 H 1 1.935 . . 1 . . . A 76 LYS HB2 . 18325 1 875 . 1 1 76 76 LYS HB3 H 1 1.789 . . 1 . . . A 76 LYS HB3 . 18325 1 876 . 1 1 76 76 LYS HG2 H 1 1.540 . . 2 . . . A 76 LYS HG2 . 18325 1 877 . 1 1 76 76 LYS HG3 H 1 1.443 . . 2 . . . A 76 LYS HG3 . 18325 1 878 . 1 1 76 76 LYS HD2 H 1 1.637 . . 2 . . . A 76 LYS HD2 . 18325 1 879 . 1 1 76 76 LYS HD3 H 1 1.637 . . 2 . . . A 76 LYS HD3 . 18325 1 880 . 1 1 76 76 LYS HE2 H 1 2.883 . . 2 . . . A 76 LYS HE2 . 18325 1 881 . 1 1 76 76 LYS HE3 H 1 2.883 . . 2 . . . A 76 LYS HE3 . 18325 1 882 . 1 1 76 76 LYS C C 13 178.105 . . 1 . . . A 76 LYS C . 18325 1 883 . 1 1 76 76 LYS CA C 13 60.397 . . 1 . . . A 76 LYS CA . 18325 1 884 . 1 1 76 76 LYS CB C 13 32.405 . . 1 . . . A 76 LYS CB . 18325 1 885 . 1 1 76 76 LYS CG C 13 25.339 . . 1 . . . A 76 LYS CG . 18325 1 886 . 1 1 76 76 LYS CD C 13 29.515 . . 1 . . . A 76 LYS CD . 18325 1 887 . 1 1 76 76 LYS CE C 13 41.828 . . 1 . . . A 76 LYS CE . 18325 1 888 . 1 1 76 76 LYS N N 15 118.715 . . 1 . . . A 76 LYS N . 18325 1 889 . 1 1 77 77 ALA H H 1 7.985 . . 1 . . . A 77 ALA H . 18325 1 890 . 1 1 77 77 ALA HA H 1 4.031 . . 1 . . . A 77 ALA HA . 18325 1 891 . 1 1 77 77 ALA HB1 H 1 1.422 . . 1 . . . A 77 ALA HB1 . 18325 1 892 . 1 1 77 77 ALA HB2 H 1 1.422 . . 1 . . . A 77 ALA HB2 . 18325 1 893 . 1 1 77 77 ALA HB3 H 1 1.422 . . 1 . . . A 77 ALA HB3 . 18325 1 894 . 1 1 77 77 ALA C C 13 180.450 . . 1 . . . A 77 ALA C . 18325 1 895 . 1 1 77 77 ALA CA C 13 54.820 . . 1 . . . A 77 ALA CA . 18325 1 896 . 1 1 77 77 ALA CB C 13 18.200 . . 1 . . . A 77 ALA CB . 18325 1 897 . 1 1 77 77 ALA N N 15 118.993 . . 1 . . . A 77 ALA N . 18325 1 898 . 1 1 78 78 LYS H H 1 7.480 . . 1 . . . A 78 LYS H . 18325 1 899 . 1 1 78 78 LYS HA H 1 3.975 . . 1 . . . A 78 LYS HA . 18325 1 900 . 1 1 78 78 LYS HB2 H 1 1.528 . . 1 . . . A 78 LYS HB2 . 18325 1 901 . 1 1 78 78 LYS HB3 H 1 1.528 . . 1 . . . A 78 LYS HB3 . 18325 1 902 . 1 1 78 78 LYS HG2 H 1 0.550 . . 2 . . . A 78 LYS HG2 . 18325 1 903 . 1 1 78 78 LYS HG3 H 1 -0.038 . . 2 . . . A 78 LYS HG3 . 18325 1 904 . 1 1 78 78 LYS HD2 H 1 1.291 . . 2 . . . A 78 LYS HD2 . 18325 1 905 . 1 1 78 78 LYS HD3 H 1 1.000 . . 2 . . . A 78 LYS HD3 . 18325 1 906 . 1 1 78 78 LYS HE2 H 1 2.385 . . 2 . . . A 78 LYS HE2 . 18325 1 907 . 1 1 78 78 LYS HE3 H 1 2.274 . . 2 . . . A 78 LYS HE3 . 18325 1 908 . 1 1 78 78 LYS C C 13 177.949 . . 1 . . . A 78 LYS C . 18325 1 909 . 1 1 78 78 LYS CA C 13 58.079 . . 1 . . . A 78 LYS CA . 18325 1 910 . 1 1 78 78 LYS CB C 13 31.342 . . 1 . . . A 78 LYS CB . 18325 1 911 . 1 1 78 78 LYS CG C 13 23.386 . . 1 . . . A 78 LYS CG . 18325 1 912 . 1 1 78 78 LYS CD C 13 27.599 . . 1 . . . A 78 LYS CD . 18325 1 913 . 1 1 78 78 LYS CE C 13 42.276 . . 1 . . . A 78 LYS CE . 18325 1 914 . 1 1 78 78 LYS N N 15 119.952 . . 1 . . . A 78 LYS N . 18325 1 915 . 1 1 79 79 LEU H H 1 8.075 . . 1 . . . A 79 LEU H . 18325 1 916 . 1 1 79 79 LEU HA H 1 4.036 . . 1 . . . A 79 LEU HA . 18325 1 917 . 1 1 79 79 LEU HB2 H 1 2.070 . . 1 . . . A 79 LEU HB2 . 18325 1 918 . 1 1 79 79 LEU HB3 H 1 1.587 . . 1 . . . A 79 LEU HB3 . 18325 1 919 . 1 1 79 79 LEU HG H 1 2.066 . . 1 . . . A 79 LEU HG . 18325 1 920 . 1 1 79 79 LEU HD11 H 1 1.118 . . 2 . . . A 79 LEU HD11 . 18325 1 921 . 1 1 79 79 LEU HD12 H 1 1.118 . . 2 . . . A 79 LEU HD12 . 18325 1 922 . 1 1 79 79 LEU HD13 H 1 1.118 . . 2 . . . A 79 LEU HD13 . 18325 1 923 . 1 1 79 79 LEU HD21 H 1 1.000 . . 2 . . . A 79 LEU HD21 . 18325 1 924 . 1 1 79 79 LEU HD22 H 1 1.000 . . 2 . . . A 79 LEU HD22 . 18325 1 925 . 1 1 79 79 LEU HD23 H 1 1.000 . . 2 . . . A 79 LEU HD23 . 18325 1 926 . 1 1 79 79 LEU C C 13 180.234 . . 1 . . . A 79 LEU C . 18325 1 927 . 1 1 79 79 LEU CA C 13 58.096 . . 1 . . . A 79 LEU CA . 18325 1 928 . 1 1 79 79 LEU CB C 13 41.776 . . 1 . . . A 79 LEU CB . 18325 1 929 . 1 1 79 79 LEU CG C 13 26.420 . . 1 . . . A 79 LEU CG . 18325 1 930 . 1 1 79 79 LEU CD1 C 13 23.956 . . 1 . . . A 79 LEU CD1 . 18325 1 931 . 1 1 79 79 LEU CD2 C 13 26.420 . . 1 . . . A 79 LEU CD2 . 18325 1 932 . 1 1 79 79 LEU N N 15 118.729 . . 1 . . . A 79 LEU N . 18325 1 933 . 1 1 80 80 VAL H H 1 7.867 . . 1 . . . A 80 VAL H . 18325 1 934 . 1 1 80 80 VAL HA H 1 3.733 . . 1 . . . A 80 VAL HA . 18325 1 935 . 1 1 80 80 VAL HB H 1 2.144 . . 1 . . . A 80 VAL HB . 18325 1 936 . 1 1 80 80 VAL HG11 H 1 0.931 . . 2 . . . A 80 VAL HG11 . 18325 1 937 . 1 1 80 80 VAL HG12 H 1 0.931 . . 2 . . . A 80 VAL HG12 . 18325 1 938 . 1 1 80 80 VAL HG13 H 1 0.931 . . 2 . . . A 80 VAL HG13 . 18325 1 939 . 1 1 80 80 VAL HG21 H 1 1.062 . . 2 . . . A 80 VAL HG21 . 18325 1 940 . 1 1 80 80 VAL HG22 H 1 1.062 . . 2 . . . A 80 VAL HG22 . 18325 1 941 . 1 1 80 80 VAL HG23 H 1 1.062 . . 2 . . . A 80 VAL HG23 . 18325 1 942 . 1 1 80 80 VAL C C 13 178.390 . . 1 . . . A 80 VAL C . 18325 1 943 . 1 1 80 80 VAL CA C 13 65.895 . . 1 . . . A 80 VAL CA . 18325 1 944 . 1 1 80 80 VAL CB C 13 31.961 . . 1 . . . A 80 VAL CB . 18325 1 945 . 1 1 80 80 VAL CG1 C 13 21.187 . . 1 . . . A 80 VAL CG1 . 18325 1 946 . 1 1 80 80 VAL CG2 C 13 22.386 . . 1 . . . A 80 VAL CG2 . 18325 1 947 . 1 1 80 80 VAL N N 15 118.567 . . 1 . . . A 80 VAL N . 18325 1 948 . 1 1 81 81 LYS H H 1 7.565 . . 1 . . . A 81 LYS H . 18325 1 949 . 1 1 81 81 LYS HA H 1 4.092 . . 1 . . . A 81 LYS HA . 18325 1 950 . 1 1 81 81 LYS HB2 H 1 1.946 . . 1 . . . A 81 LYS HB2 . 18325 1 951 . 1 1 81 81 LYS HB3 H 1 1.946 . . 1 . . . A 81 LYS HB3 . 18325 1 952 . 1 1 81 81 LYS HG2 H 1 1.526 . . 2 . . . A 81 LYS HG2 . 18325 1 953 . 1 1 81 81 LYS HG3 H 1 1.422 . . 2 . . . A 81 LYS HG3 . 18325 1 954 . 1 1 81 81 LYS HD2 H 1 1.644 . . 2 . . . A 81 LYS HD2 . 18325 1 955 . 1 1 81 81 LYS HD3 H 1 1.644 . . 2 . . . A 81 LYS HD3 . 18325 1 956 . 1 1 81 81 LYS HE2 H 1 2.938 . . 2 . . . A 81 LYS HE2 . 18325 1 957 . 1 1 81 81 LYS HE3 H 1 2.938 . . 2 . . . A 81 LYS HE3 . 18325 1 958 . 1 1 81 81 LYS C C 13 179.434 . . 1 . . . A 81 LYS C . 18325 1 959 . 1 1 81 81 LYS CA C 13 58.943 . . 1 . . . A 81 LYS CA . 18325 1 960 . 1 1 81 81 LYS CB C 13 32.497 . . 1 . . . A 81 LYS CB . 18325 1 961 . 1 1 81 81 LYS CG C 13 25.002 . . 1 . . . A 81 LYS CG . 18325 1 962 . 1 1 81 81 LYS CD C 13 29.187 . . 1 . . . A 81 LYS CD . 18325 1 963 . 1 1 81 81 LYS CE C 13 42.116 . . 1 . . . A 81 LYS CE . 18325 1 964 . 1 1 81 81 LYS N N 15 121.106 . . 1 . . . A 81 LYS N . 18325 1 965 . 1 1 82 82 ILE H H 1 8.124 . . 1 . . . A 82 ILE H . 18325 1 966 . 1 1 82 82 ILE HA H 1 3.953 . . 1 . . . A 82 ILE HA . 18325 1 967 . 1 1 82 82 ILE HB H 1 1.950 . . 1 . . . A 82 ILE HB . 18325 1 968 . 1 1 82 82 ILE HG12 H 1 1.582 . . 1 . . . A 82 ILE HG12 . 18325 1 969 . 1 1 82 82 ILE HG13 H 1 1.194 . . 1 . . . A 82 ILE HG13 . 18325 1 970 . 1 1 82 82 ILE HG21 H 1 0.924 . . 1 . . . A 82 ILE HG21 . 18325 1 971 . 1 1 82 82 ILE HG22 H 1 0.924 . . 1 . . . A 82 ILE HG22 . 18325 1 972 . 1 1 82 82 ILE HG23 H 1 0.924 . . 1 . . . A 82 ILE HG23 . 18325 1 973 . 1 1 82 82 ILE HD11 H 1 0.834 . . 1 . . . A 82 ILE HD11 . 18325 1 974 . 1 1 82 82 ILE HD12 H 1 0.834 . . 1 . . . A 82 ILE HD12 . 18325 1 975 . 1 1 82 82 ILE HD13 H 1 0.834 . . 1 . . . A 82 ILE HD13 . 18325 1 976 . 1 1 82 82 ILE C C 13 177.482 . . 1 . . . A 82 ILE C . 18325 1 977 . 1 1 82 82 ILE CA C 13 63.598 . . 1 . . . A 82 ILE CA . 18325 1 978 . 1 1 82 82 ILE CB C 13 38.372 . . 1 . . . A 82 ILE CB . 18325 1 979 . 1 1 82 82 ILE CG1 C 13 28.135 . . 1 . . . A 82 ILE CG1 . 18325 1 980 . 1 1 82 82 ILE CG2 C 13 17.395 . . 1 . . . A 82 ILE CG2 . 18325 1 981 . 1 1 82 82 ILE CD1 C 13 14.662 . . 1 . . . A 82 ILE CD1 . 18325 1 982 . 1 1 82 82 ILE N N 15 117.365 . . 1 . . . A 82 ILE N . 18325 1 983 . 1 1 83 83 ALA H H 1 7.867 . . 1 . . . A 83 ALA H . 18325 1 984 . 1 1 83 83 ALA HA H 1 4.279 . . 1 . . . A 83 ALA HA . 18325 1 985 . 1 1 83 83 ALA HB1 H 1 1.493 . . 1 . . . A 83 ALA HB1 . 18325 1 986 . 1 1 83 83 ALA HB2 H 1 1.493 . . 1 . . . A 83 ALA HB2 . 18325 1 987 . 1 1 83 83 ALA HB3 H 1 1.493 . . 1 . . . A 83 ALA HB3 . 18325 1 988 . 1 1 83 83 ALA C C 13 179.104 . . 1 . . . A 83 ALA C . 18325 1 989 . 1 1 83 83 ALA CA C 13 53.851 . . 1 . . . A 83 ALA CA . 18325 1 990 . 1 1 83 83 ALA CB C 13 18.769 . . 1 . . . A 83 ALA CB . 18325 1 991 . 1 1 83 83 ALA N N 15 123.334 . . 1 . . . A 83 ALA N . 18325 1 992 . 1 1 84 84 GLY H H 1 8.019 . . 1 . . . A 84 GLY H . 18325 1 993 . 1 1 84 84 GLY HA2 H 1 3.958 . . 1 . . . A 84 GLY HA2 . 18325 1 994 . 1 1 84 84 GLY HA3 H 1 3.958 . . 1 . . . A 84 GLY HA3 . 18325 1 995 . 1 1 84 84 GLY C C 13 174.779 . . 1 . . . A 84 GLY C . 18325 1 996 . 1 1 84 84 GLY CA C 13 45.847 . . 1 . . . A 84 GLY CA . 18325 1 997 . 1 1 84 84 GLY N N 15 105.962 . . 1 . . . A 84 GLY N . 18325 1 998 . 1 1 85 85 LEU H H 1 7.727 . . 1 . . . A 85 LEU H . 18325 1 999 . 1 1 85 85 LEU HA H 1 4.275 . . 1 . . . A 85 LEU HA . 18325 1 1000 . 1 1 85 85 LEU HB2 H 1 1.685 . . 1 . . . A 85 LEU HB2 . 18325 1 1001 . 1 1 85 85 LEU HB3 H 1 1.546 . . 1 . . . A 85 LEU HB3 . 18325 1 1002 . 1 1 85 85 LEU HG H 1 1.658 . . 1 . . . A 85 LEU HG . 18325 1 1003 . 1 1 85 85 LEU HD11 H 1 0.931 . . 2 . . . A 85 LEU HD11 . 18325 1 1004 . 1 1 85 85 LEU HD12 H 1 0.931 . . 2 . . . A 85 LEU HD12 . 18325 1 1005 . 1 1 85 85 LEU HD13 H 1 0.931 . . 2 . . . A 85 LEU HD13 . 18325 1 1006 . 1 1 85 85 LEU HD21 H 1 0.876 . . 2 . . . A 85 LEU HD21 . 18325 1 1007 . 1 1 85 85 LEU HD22 H 1 0.876 . . 2 . . . A 85 LEU HD22 . 18325 1 1008 . 1 1 85 85 LEU HD23 H 1 0.876 . . 2 . . . A 85 LEU HD23 . 18325 1 1009 . 1 1 85 85 LEU C C 13 177.609 . . 1 . . . A 85 LEU C . 18325 1 1010 . 1 1 85 85 LEU CA C 13 55.511 . . 1 . . . A 85 LEU CA . 18325 1 1011 . 1 1 85 85 LEU CB C 13 42.449 . . 1 . . . A 85 LEU CB . 18325 1 1012 . 1 1 85 85 LEU CG C 13 26.817 . . 1 . . . A 85 LEU CG . 18325 1 1013 . 1 1 85 85 LEU CD1 C 13 25.167 . . 1 . . . A 85 LEU CD1 . 18325 1 1014 . 1 1 85 85 LEU CD2 C 13 23.162 . . 1 . . . A 85 LEU CD2 . 18325 1 1015 . 1 1 85 85 LEU N N 15 120.702 . . 1 . . . A 85 LEU N . 18325 1 1016 . 1 1 86 86 GLU H H 1 8.238 . . 1 . . . A 86 GLU H . 18325 1 1017 . 1 1 86 86 GLU HA H 1 4.154 . . 1 . . . A 86 GLU HA . 18325 1 1018 . 1 1 86 86 GLU HB2 H 1 1.896 . . 1 . . . A 86 GLU HB2 . 18325 1 1019 . 1 1 86 86 GLU HB3 H 1 1.896 . . 1 . . . A 86 GLU HB3 . 18325 1 1020 . 1 1 86 86 GLU HG2 H 1 2.219 . . 2 . . . A 86 GLU HG2 . 18325 1 1021 . 1 1 86 86 GLU HG3 H 1 2.115 . . 2 . . . A 86 GLU HG3 . 18325 1 1022 . 1 1 86 86 GLU C C 13 176.359 . . 1 . . . A 86 GLU C . 18325 1 1023 . 1 1 86 86 GLU CA C 13 56.941 . . 1 . . . A 86 GLU CA . 18325 1 1024 . 1 1 86 86 GLU CB C 13 30.180 . . 1 . . . A 86 GLU CB . 18325 1 1025 . 1 1 86 86 GLU CG C 13 36.212 . . 1 . . . A 86 GLU CG . 18325 1 1026 . 1 1 86 86 GLU N N 15 120.386 . . 1 . . . A 86 GLU N . 18325 1 1027 . 1 1 87 87 HIS H H 1 8.177 . . 1 . . . A 87 HIS H . 18325 1 1028 . 1 1 87 87 HIS HA H 1 4.590 . . 1 . . . A 87 HIS HA . 18325 1 1029 . 1 1 87 87 HIS HB2 H 1 3.091 . . 1 . . . A 87 HIS HB2 . 18325 1 1030 . 1 1 87 87 HIS HB3 H 1 3.091 . . 1 . . . A 87 HIS HB3 . 18325 1 1031 . 1 1 87 87 HIS C C 13 174.000 . . 1 . . . A 87 HIS C . 18325 1 1032 . 1 1 87 87 HIS CA C 13 56.146 . . 1 . . . A 87 HIS CA . 18325 1 1033 . 1 1 87 87 HIS CB C 13 30.335 . . 1 . . . A 87 HIS CB . 18325 1 1034 . 1 1 87 87 HIS N N 15 119.393 . . 1 . . . A 87 HIS N . 18325 1 1035 . 1 1 88 88 HIS H H 1 8.095 . . 1 . . . A 88 HIS H . 18325 1 1036 . 1 1 88 88 HIS CA C 13 57.341 . . 1 . . . A 88 HIS CA . 18325 1 1037 . 1 1 88 88 HIS CB C 13 30.425 . . 1 . . . A 88 HIS CB . 18325 1 1038 . 1 1 88 88 HIS N N 15 125.457 . . 1 . . . A 88 HIS N . 18325 1 stop_ save_