data_18322 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18322 _Entry.Title ; Mrx1 reduced ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-10 _Entry.Accession_date 2012-03-10 _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 . . . 18322 2 Koen 'Van Laer' . . . 18322 3 Joris Messens . . . 18322 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' . 18322 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Trx fold' . 18322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 18322 '15N chemical shifts' 90 18322 '1H chemical shifts' 587 18322 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 . . 2013-04-16 2012-03-10 update BMRB 'update entry citation' 18322 1 . . 2012-09-14 2012-03-10 original author 'original release' 18322 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18325 'Mrx1 oxidized form' 18322 PDB 2LQO 'BMRB Entry Tracking System' 18322 stop_ save_ ############### # Citations # ############### save_Mrxred _Citation.Sf_category citations _Citation.Sf_framecode Mrxred _Citation.Entry_ID 18322 _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' . . . 18322 1 2 Lieven Buts . . . 18322 1 3 Nicolas Foloppe . . . 18322 1 4 Didier Vertommen . . . 18322 1 5 Karolien 'Van Belle' . . . 18322 1 6 Khadija Wahni . . . 18322 1 7 Goedele Roos . . . 18322 1 8 Lennart Nilsson . . . 18322 1 9 Luis Mateos . M. . 18322 1 10 Mamta Rawat . . . 18322 1 11 Nico 'van Nuland' . A.J. . 18322 1 12 Joris Messens . . . 18322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18322 _Assembly.ID 1 _Assembly.Name reduced_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 reduced_Mrx1 1 $reduced_Mrx1 A . yes native no no . . . 18322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_reduced_Mrx1 _Entity.Sf_category entity _Entity.Sf_framecode reduced_Mrx1 _Entity.Entry_ID 18322 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name reduced_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 18325 . oxidized_Mrx1 . . . . . 100.00 92 100.00 100.00 4.60e-60 . . . . 18322 1 2 no PDB 2LQO . "Mrx1 Reduced" . . . . . 100.00 92 100.00 100.00 4.60e-60 . . . . 18322 1 3 no PDB 2LQQ . "Oxidized Mrx1" . . . . . 100.00 92 100.00 100.00 4.60e-60 . . . . 18322 1 4 no DBJ BAH27496 . "putative glutaredoxin protein [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 5 no DBJ BAL67282 . "glutaredoxin protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 6 no DBJ BAQ07378 . "glutaredoxin protein [Mycobacterium tuberculosis str. Kurono]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 7 no DBJ GAA46837 . "glutaredoxin protein [Mycobacterium tuberculosis NCGM2209]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 8 no EMBL CAL73212 . "Possible glutaredoxin protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 9 no EMBL CCC28276 . "putative glutaredoxin protein [Mycobacterium africanum GM041182]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 10 no EMBL CCC45545 . "putative glutaredoxin protein [Mycobacterium canettii CIPT 140010059]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 11 no EMBL CCC65800 . "possible glutaredoxin protein [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 12 no EMBL CCE38648 . "unnamed protein product [Mycobacterium tuberculosis UT205]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 13 no GB AAK47635 . "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 14 no GB ABQ75018 . "putative glutaredoxin protein [Mycobacterium tuberculosis H37Ra]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 15 no GB ABR07546 . "hypothetical glutaredoxin protein [Mycobacterium tuberculosis F11]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 16 no GB ACT26340 . "glutaredoxin [Mycobacterium tuberculosis KZN 1435]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 17 no GB AEB05392 . "glutaredoxin protein [Mycobacterium tuberculosis KZN 4207]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 18 no REF NP_856868 . "glutaredoxin protein [Mycobacterium bovis AF2122/97]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 19 no REF WP_003416827 . "MULTISPECIES: NrdH-redoxin [Mycobacterium]" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 20 no REF WP_015291273 . "NrdH-redoxin [Mycobacterium canettii]" . . . . . 91.30 84 97.62 97.62 1.03e-51 . . . . 18322 1 21 no REF WP_015294259 . "NrdH-redoxin [Mycobacterium canettii]" . . . . . 91.30 84 98.81 98.81 9.81e-53 . . . . 18322 1 22 no REF WP_031679117 . "NrdH-redoxin [Mycobacterium tuberculosis]" . . . . . 91.30 84 97.62 98.81 1.09e-51 . . . . 18322 1 23 no SP P9WN16 . "RecName: Full=Putative glutaredoxin MT3292" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 1 24 no SP P9WN17 . "RecName: Full=Putative glutaredoxin Rv3198.1" . . . . . 91.30 84 98.81 100.00 3.30e-53 . . . . 18322 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 . 18322 1 2 2 VAL . 18322 1 3 3 THR . 18322 1 4 4 ALA . 18322 1 5 5 ALA . 18322 1 6 6 LEU . 18322 1 7 7 THR . 18322 1 8 8 ILE . 18322 1 9 9 TYR . 18322 1 10 10 THR . 18322 1 11 11 THR . 18322 1 12 12 SER . 18322 1 13 13 TRP . 18322 1 14 14 CYS . 18322 1 15 15 GLY . 18322 1 16 16 TYR . 18322 1 17 17 CYS . 18322 1 18 18 LEU . 18322 1 19 19 ARG . 18322 1 20 20 LEU . 18322 1 21 21 LYS . 18322 1 22 22 THR . 18322 1 23 23 ALA . 18322 1 24 24 LEU . 18322 1 25 25 THR . 18322 1 26 26 ALA . 18322 1 27 27 ASN . 18322 1 28 28 ARG . 18322 1 29 29 ILE . 18322 1 30 30 ALA . 18322 1 31 31 TYR . 18322 1 32 32 ASP . 18322 1 33 33 GLU . 18322 1 34 34 VAL . 18322 1 35 35 ASP . 18322 1 36 36 ILE . 18322 1 37 37 GLU . 18322 1 38 38 HIS . 18322 1 39 39 ASN . 18322 1 40 40 ARG . 18322 1 41 41 ALA . 18322 1 42 42 ALA . 18322 1 43 43 ALA . 18322 1 44 44 GLU . 18322 1 45 45 PHE . 18322 1 46 46 VAL . 18322 1 47 47 GLY . 18322 1 48 48 SER . 18322 1 49 49 VAL . 18322 1 50 50 ASN . 18322 1 51 51 GLY . 18322 1 52 52 GLY . 18322 1 53 53 ASN . 18322 1 54 54 ARG . 18322 1 55 55 THR . 18322 1 56 56 VAL . 18322 1 57 57 PRO . 18322 1 58 58 THR . 18322 1 59 59 VAL . 18322 1 60 60 LYS . 18322 1 61 61 PHE . 18322 1 62 62 ALA . 18322 1 63 63 ASP . 18322 1 64 64 GLY . 18322 1 65 65 SER . 18322 1 66 66 THR . 18322 1 67 67 LEU . 18322 1 68 68 THR . 18322 1 69 69 ASN . 18322 1 70 70 PRO . 18322 1 71 71 SER . 18322 1 72 72 ALA . 18322 1 73 73 ASP . 18322 1 74 74 GLU . 18322 1 75 75 VAL . 18322 1 76 76 LYS . 18322 1 77 77 ALA . 18322 1 78 78 LYS . 18322 1 79 79 LEU . 18322 1 80 80 VAL . 18322 1 81 81 LYS . 18322 1 82 82 ILE . 18322 1 83 83 ALA . 18322 1 84 84 GLY . 18322 1 85 85 LEU . 18322 1 86 86 GLU . 18322 1 87 87 HIS . 18322 1 88 88 HIS . 18322 1 89 89 HIS . 18322 1 90 90 HIS . 18322 1 91 91 HIS . 18322 1 92 92 HIS . 18322 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 18322 1 . VAL 2 2 18322 1 . THR 3 3 18322 1 . ALA 4 4 18322 1 . ALA 5 5 18322 1 . LEU 6 6 18322 1 . THR 7 7 18322 1 . ILE 8 8 18322 1 . TYR 9 9 18322 1 . THR 10 10 18322 1 . THR 11 11 18322 1 . SER 12 12 18322 1 . TRP 13 13 18322 1 . CYS 14 14 18322 1 . GLY 15 15 18322 1 . TYR 16 16 18322 1 . CYS 17 17 18322 1 . LEU 18 18 18322 1 . ARG 19 19 18322 1 . LEU 20 20 18322 1 . LYS 21 21 18322 1 . THR 22 22 18322 1 . ALA 23 23 18322 1 . LEU 24 24 18322 1 . THR 25 25 18322 1 . ALA 26 26 18322 1 . ASN 27 27 18322 1 . ARG 28 28 18322 1 . ILE 29 29 18322 1 . ALA 30 30 18322 1 . TYR 31 31 18322 1 . ASP 32 32 18322 1 . GLU 33 33 18322 1 . VAL 34 34 18322 1 . ASP 35 35 18322 1 . ILE 36 36 18322 1 . GLU 37 37 18322 1 . HIS 38 38 18322 1 . ASN 39 39 18322 1 . ARG 40 40 18322 1 . ALA 41 41 18322 1 . ALA 42 42 18322 1 . ALA 43 43 18322 1 . GLU 44 44 18322 1 . PHE 45 45 18322 1 . VAL 46 46 18322 1 . GLY 47 47 18322 1 . SER 48 48 18322 1 . VAL 49 49 18322 1 . ASN 50 50 18322 1 . GLY 51 51 18322 1 . GLY 52 52 18322 1 . ASN 53 53 18322 1 . ARG 54 54 18322 1 . THR 55 55 18322 1 . VAL 56 56 18322 1 . PRO 57 57 18322 1 . THR 58 58 18322 1 . VAL 59 59 18322 1 . LYS 60 60 18322 1 . PHE 61 61 18322 1 . ALA 62 62 18322 1 . ASP 63 63 18322 1 . GLY 64 64 18322 1 . SER 65 65 18322 1 . THR 66 66 18322 1 . LEU 67 67 18322 1 . THR 68 68 18322 1 . ASN 69 69 18322 1 . PRO 70 70 18322 1 . SER 71 71 18322 1 . ALA 72 72 18322 1 . ASP 73 73 18322 1 . GLU 74 74 18322 1 . VAL 75 75 18322 1 . LYS 76 76 18322 1 . ALA 77 77 18322 1 . LYS 78 78 18322 1 . LEU 79 79 18322 1 . VAL 80 80 18322 1 . LYS 81 81 18322 1 . ILE 82 82 18322 1 . ALA 83 83 18322 1 . GLY 84 84 18322 1 . LEU 85 85 18322 1 . GLU 86 86 18322 1 . HIS 87 87 18322 1 . HIS 88 88 18322 1 . HIS 89 89 18322 1 . HIS 90 90 18322 1 . HIS 91 91 18322 1 . HIS 92 92 18322 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 18322 _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 $reduced_Mrx1 . 1773 organism . 'Mycobacterium tuberculosis' 'high GC Gram+' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 18322 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 18322 _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 $reduced_Mrx1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 18322 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18322 _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 reduced_Mrx1 '[U-99% 13C; U-99% 15N]' . . 1 $reduced_Mrx1 . . . 0.8 1.0 mM . . . . 18322 1 2 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 18322 1 3 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 18322 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 18322 _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 18322 1 pH 6.6 . pH 18322 1 pressure 1 . atm 18322 1 temperature 298 . K 18322 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18322 _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' . . 18322 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18322 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18322 _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' . . 18322 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18322 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 18322 _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 . . 18322 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18322 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18322 _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' . . 18322 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18322 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18322 _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' . . 18322 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18322 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 18322 _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 18322 _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 18322 _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 . . . 18322 1 2 spectrometer_2 Varian 'Varian NMR Systems' . 800 . . . 18322 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 18322 _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 . . . . . . . . . . . . . . . . . . . . . 18322 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 12 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 1 13 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18322 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 18322 _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 . . . . . . . . . 18322 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18322 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18322 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 18322 _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' . . . 18322 1 2 '2D 1H-13C HSQC' . . . 18322 1 4 '3D CBCA(CO)NH' . . . 18322 1 5 '3D HNCO' . . . 18322 1 6 '3D HNCACB' . . . 18322 1 7 '3D HBHA(CO)NH' . . . 18322 1 8 '3D C(CO)NH' . . . 18322 1 9 '3D HCCH-TOCSY' . . . 18322 1 12 HBCBCGCDHD . . . 18322 1 13 HBCBCGCDCEHE . . . 18322 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 4.201 . . 1 . . . A 2 VAL HA . 18322 1 2 . 1 1 2 2 VAL HB H 1 2.038 . . 1 . . . A 2 VAL HB . 18322 1 3 . 1 1 2 2 VAL HG11 H 1 0.897 . . 1 . . . A 2 VAL HG11 . 18322 1 4 . 1 1 2 2 VAL HG12 H 1 0.897 . . 1 . . . A 2 VAL HG12 . 18322 1 5 . 1 1 2 2 VAL HG13 H 1 0.897 . . 1 . . . A 2 VAL HG13 . 18322 1 6 . 1 1 2 2 VAL HG21 H 1 0.897 . . 1 . . . A 2 VAL HG21 . 18322 1 7 . 1 1 2 2 VAL HG22 H 1 0.897 . . 1 . . . A 2 VAL HG22 . 18322 1 8 . 1 1 2 2 VAL HG23 H 1 0.897 . . 1 . . . A 2 VAL HG23 . 18322 1 9 . 1 1 2 2 VAL C C 13 175.807 . . 1 . . . A 2 VAL C . 18322 1 10 . 1 1 2 2 VAL CA C 13 62.405 . . 1 . . . A 2 VAL CA . 18322 1 11 . 1 1 2 2 VAL CB C 13 32.771 . . 1 . . . A 2 VAL CB . 18322 1 12 . 1 1 2 2 VAL CG1 C 13 21.143 . . 1 . . . A 2 VAL CG1 . 18322 1 13 . 1 1 2 2 VAL CG2 C 13 21.143 . . 1 . . . A 2 VAL CG2 . 18322 1 14 . 1 1 3 3 THR H H 1 8.275 . . 1 . . . A 3 THR H . 18322 1 15 . 1 1 3 3 THR HA H 1 4.264 . . 1 . . . A 3 THR HA . 18322 1 16 . 1 1 3 3 THR HB H 1 4.118 . . 1 . . . A 3 THR HB . 18322 1 17 . 1 1 3 3 THR HG21 H 1 1.165 . . 1 . . . A 3 THR HG21 . 18322 1 18 . 1 1 3 3 THR HG22 H 1 1.165 . . 1 . . . A 3 THR HG22 . 18322 1 19 . 1 1 3 3 THR HG23 H 1 1.165 . . 1 . . . A 3 THR HG23 . 18322 1 20 . 1 1 3 3 THR C C 13 173.768 . . 1 . . . A 3 THR C . 18322 1 21 . 1 1 3 3 THR CA C 13 61.695 . . 1 . . . A 3 THR CA . 18322 1 22 . 1 1 3 3 THR CB C 13 69.866 . . 1 . . . A 3 THR CB . 18322 1 23 . 1 1 3 3 THR CG2 C 13 21.680 . . 1 . . . A 3 THR CG2 . 18322 1 24 . 1 1 3 3 THR N N 15 119.400 . . 1 . . . A 3 THR N . 18322 1 25 . 1 1 4 4 ALA H H 1 8.389 . . 1 . . . A 4 ALA H . 18322 1 26 . 1 1 4 4 ALA HA H 1 4.186 . . 1 . . . A 4 ALA HA . 18322 1 27 . 1 1 4 4 ALA HB1 H 1 1.293 . . 1 . . . A 4 ALA HB1 . 18322 1 28 . 1 1 4 4 ALA HB2 H 1 1.293 . . 1 . . . A 4 ALA HB2 . 18322 1 29 . 1 1 4 4 ALA HB3 H 1 1.293 . . 1 . . . A 4 ALA HB3 . 18322 1 30 . 1 1 4 4 ALA C C 13 177.004 . . 1 . . . A 4 ALA C . 18322 1 31 . 1 1 4 4 ALA CA C 13 52.136 . . 1 . . . A 4 ALA CA . 18322 1 32 . 1 1 4 4 ALA CB C 13 19.538 . . 1 . . . A 4 ALA CB . 18322 1 33 . 1 1 4 4 ALA N N 15 126.744 . . 1 . . . A 4 ALA N . 18322 1 34 . 1 1 5 5 ALA H H 1 8.401 . . 1 . . . A 5 ALA H . 18322 1 35 . 1 1 5 5 ALA HA H 1 4.265 . . 1 . . . A 5 ALA HA . 18322 1 36 . 1 1 5 5 ALA HB1 H 1 1.413 . . 1 . . . A 5 ALA HB1 . 18322 1 37 . 1 1 5 5 ALA HB2 H 1 1.413 . . 1 . . . A 5 ALA HB2 . 18322 1 38 . 1 1 5 5 ALA HB3 H 1 1.413 . . 1 . . . A 5 ALA HB3 . 18322 1 39 . 1 1 5 5 ALA C C 13 176.349 . . 1 . . . A 5 ALA C . 18322 1 40 . 1 1 5 5 ALA CA C 13 52.924 . . 1 . . . A 5 ALA CA . 18322 1 41 . 1 1 5 5 ALA CB C 13 19.433 . . 1 . . . A 5 ALA CB . 18322 1 42 . 1 1 5 5 ALA N N 15 123.625 . . 1 . . . A 5 ALA N . 18322 1 43 . 1 1 6 6 LEU H H 1 7.503 . . 1 . . . A 6 LEU H . 18322 1 44 . 1 1 6 6 LEU HA H 1 4.619 . . 1 . . . A 6 LEU HA . 18322 1 45 . 1 1 6 6 LEU HB2 H 1 1.602 . . 1 . . . A 6 LEU HB2 . 18322 1 46 . 1 1 6 6 LEU HB3 H 1 1.284 . . 1 . . . A 6 LEU HB3 . 18322 1 47 . 1 1 6 6 LEU HG H 1 1.428 . . 1 . . . A 6 LEU HG . 18322 1 48 . 1 1 6 6 LEU HD11 H 1 0.672 . . 1 . . . A 6 LEU HD11 . 18322 1 49 . 1 1 6 6 LEU HD12 H 1 0.672 . . 1 . . . A 6 LEU HD12 . 18322 1 50 . 1 1 6 6 LEU HD13 H 1 0.672 . . 1 . . . A 6 LEU HD13 . 18322 1 51 . 1 1 6 6 LEU HD21 H 1 0.521 . . 1 . . . A 6 LEU HD21 . 18322 1 52 . 1 1 6 6 LEU HD22 H 1 0.521 . . 1 . . . A 6 LEU HD22 . 18322 1 53 . 1 1 6 6 LEU HD23 H 1 0.521 . . 1 . . . A 6 LEU HD23 . 18322 1 54 . 1 1 6 6 LEU C C 13 175.053 . . 1 . . . A 6 LEU C . 18322 1 55 . 1 1 6 6 LEU CA C 13 54.302 . . 1 . . . A 6 LEU CA . 18322 1 56 . 1 1 6 6 LEU CB C 13 44.422 . . 1 . . . A 6 LEU CB . 18322 1 57 . 1 1 6 6 LEU CG C 13 26.500 . . 1 . . . A 6 LEU CG . 18322 1 58 . 1 1 6 6 LEU CD1 C 13 27.385 . . 1 . . . A 6 LEU CD1 . 18322 1 59 . 1 1 6 6 LEU CD2 C 13 26.694 . . 1 . . . A 6 LEU CD2 . 18322 1 60 . 1 1 6 6 LEU N N 15 116.180 . . 1 . . . A 6 LEU N . 18322 1 61 . 1 1 7 7 THR H H 1 8.274 . . 1 . . . A 7 THR H . 18322 1 62 . 1 1 7 7 THR HA H 1 4.919 . . 1 . . . A 7 THR HA . 18322 1 63 . 1 1 7 7 THR HB H 1 3.613 . . 1 . . . A 7 THR HB . 18322 1 64 . 1 1 7 7 THR HG21 H 1 0.505 . . 1 . . . A 7 THR HG21 . 18322 1 65 . 1 1 7 7 THR HG22 H 1 0.505 . . 1 . . . A 7 THR HG22 . 18322 1 66 . 1 1 7 7 THR HG23 H 1 0.505 . . 1 . . . A 7 THR HG23 . 18322 1 67 . 1 1 7 7 THR C C 13 172.579 . . 1 . . . A 7 THR C . 18322 1 68 . 1 1 7 7 THR CA C 13 61.651 . . 1 . . . A 7 THR CA . 18322 1 69 . 1 1 7 7 THR CB C 13 70.791 . . 1 . . . A 7 THR CB . 18322 1 70 . 1 1 7 7 THR CG2 C 13 20.793 . . 1 . . . A 7 THR CG2 . 18322 1 71 . 1 1 7 7 THR N N 15 119.912 . . 1 . . . A 7 THR N . 18322 1 72 . 1 1 8 8 ILE H H 1 9.057 . . 1 . . . A 8 ILE H . 18322 1 73 . 1 1 8 8 ILE HA H 1 4.657 . . 1 . . . A 8 ILE HA . 18322 1 74 . 1 1 8 8 ILE HB H 1 1.306 . . 1 . . . A 8 ILE HB . 18322 1 75 . 1 1 8 8 ILE HG12 H 1 1.264 . . 1 . . . A 8 ILE HG12 . 18322 1 76 . 1 1 8 8 ILE HG13 H 1 0.742 . . 1 . . . A 8 ILE HG13 . 18322 1 77 . 1 1 8 8 ILE HG21 H 1 0.548 . . 1 . . . A 8 ILE HG21 . 18322 1 78 . 1 1 8 8 ILE HG22 H 1 0.548 . . 1 . . . A 8 ILE HG22 . 18322 1 79 . 1 1 8 8 ILE HG23 H 1 0.548 . . 1 . . . A 8 ILE HG23 . 18322 1 80 . 1 1 8 8 ILE HD11 H 1 0.118 . . 1 . . . A 8 ILE HD11 . 18322 1 81 . 1 1 8 8 ILE HD12 H 1 0.118 . . 1 . . . A 8 ILE HD12 . 18322 1 82 . 1 1 8 8 ILE HD13 H 1 0.118 . . 1 . . . A 8 ILE HD13 . 18322 1 83 . 1 1 8 8 ILE C C 13 172.580 . . 1 . . . A 8 ILE C . 18322 1 84 . 1 1 8 8 ILE CA C 13 59.183 . . 1 . . . A 8 ILE CA . 18322 1 85 . 1 1 8 8 ILE CB C 13 39.991 . . 1 . . . A 8 ILE CB . 18322 1 86 . 1 1 8 8 ILE CG1 C 13 27.300 . . 1 . . . A 8 ILE CG1 . 18322 1 87 . 1 1 8 8 ILE CG2 C 13 17.300 . . 1 . . . A 8 ILE CG2 . 18322 1 88 . 1 1 8 8 ILE CD1 C 13 13.700 . . 1 . . . A 8 ILE CD1 . 18322 1 89 . 1 1 8 8 ILE N N 15 124.516 . . 1 . . . A 8 ILE N . 18322 1 90 . 1 1 9 9 TYR H H 1 9.251 . . 1 . . . A 9 TYR H . 18322 1 91 . 1 1 9 9 TYR HA H 1 5.431 . . 1 . . . A 9 TYR HA . 18322 1 92 . 1 1 9 9 TYR HB2 H 1 2.904 . . 1 . . . A 9 TYR HB2 . 18322 1 93 . 1 1 9 9 TYR HB3 H 1 2.780 . . 1 . . . A 9 TYR HB3 . 18322 1 94 . 1 1 9 9 TYR HD1 H 1 6.947 . . 3 . . . A 9 TYR HD1 . 18322 1 95 . 1 1 9 9 TYR HD2 H 1 6.947 . . 3 . . . A 9 TYR HD2 . 18322 1 96 . 1 1 9 9 TYR HE1 H 1 6.595 . . 3 . . . A 9 TYR HE1 . 18322 1 97 . 1 1 9 9 TYR HE2 H 1 6.595 . . 3 . . . A 9 TYR HE2 . 18322 1 98 . 1 1 9 9 TYR C C 13 176.588 . . 1 . . . A 9 TYR C . 18322 1 99 . 1 1 9 9 TYR CA C 13 57.313 . . 1 . . . A 9 TYR CA . 18322 1 100 . 1 1 9 9 TYR CB C 13 39.309 . . 1 . . . A 9 TYR CB . 18322 1 101 . 1 1 9 9 TYR CD1 C 13 132.770 . . 3 . . . A 9 TYR CD1 . 18322 1 102 . 1 1 9 9 TYR CD2 C 13 132.770 . . 3 . . . A 9 TYR CD2 . 18322 1 103 . 1 1 9 9 TYR CE1 C 13 117.460 . . 3 . . . A 9 TYR CE1 . 18322 1 104 . 1 1 9 9 TYR CE2 C 13 117.460 . . 3 . . . A 9 TYR CE2 . 18322 1 105 . 1 1 9 9 TYR N N 15 128.834 . . 1 . . . A 9 TYR N . 18322 1 106 . 1 1 10 10 THR H H 1 8.775 . . 1 . . . A 10 THR H . 18322 1 107 . 1 1 10 10 THR HA H 1 5.199 . . 1 . . . A 10 THR HA . 18322 1 108 . 1 1 10 10 THR HB H 1 4.278 . . 1 . . . A 10 THR HB . 18322 1 109 . 1 1 10 10 THR HG21 H 1 0.836 . . 1 . . . A 10 THR HG21 . 18322 1 110 . 1 1 10 10 THR HG22 H 1 0.836 . . 1 . . . A 10 THR HG22 . 18322 1 111 . 1 1 10 10 THR HG23 H 1 0.836 . . 1 . . . A 10 THR HG23 . 18322 1 112 . 1 1 10 10 THR C C 13 175.024 . . 1 . . . A 10 THR C . 18322 1 113 . 1 1 10 10 THR CA C 13 59.817 . . 1 . . . A 10 THR CA . 18322 1 114 . 1 1 10 10 THR CB C 13 72.322 . . 1 . . . A 10 THR CB . 18322 1 115 . 1 1 10 10 THR CG2 C 13 23.200 . . 1 . . . A 10 THR CG2 . 18322 1 116 . 1 1 10 10 THR N N 15 112.113 . . 1 . . . A 10 THR N . 18322 1 117 . 1 1 11 11 THR H H 1 7.089 . . 1 . . . A 11 THR H . 18322 1 118 . 1 1 11 11 THR HA H 1 4.571 . . 1 . . . A 11 THR HA . 18322 1 119 . 1 1 11 11 THR HB H 1 3.599 . . 1 . . . A 11 THR HB . 18322 1 120 . 1 1 11 11 THR HG21 H 1 0.506 . . 1 . . . A 11 THR HG21 . 18322 1 121 . 1 1 11 11 THR HG22 H 1 0.506 . . 1 . . . A 11 THR HG22 . 18322 1 122 . 1 1 11 11 THR HG23 H 1 0.506 . . 1 . . . A 11 THR HG23 . 18322 1 123 . 1 1 11 11 THR C C 13 176.138 . . 1 . . . A 11 THR C . 18322 1 124 . 1 1 11 11 THR CA C 13 60.910 . . 1 . . . A 11 THR CA . 18322 1 125 . 1 1 11 11 THR CB C 13 72.028 . . 1 . . . A 11 THR CB . 18322 1 126 . 1 1 11 11 THR CG2 C 13 20.800 . . 1 . . . A 11 THR CG2 . 18322 1 127 . 1 1 11 11 THR N N 15 104.134 . . 1 . . . A 11 THR N . 18322 1 128 . 1 1 12 12 SER H H 1 9.215 . . 1 . . . A 12 SER H . 18322 1 129 . 1 1 12 12 SER HA H 1 4.072 . . 1 . . . A 12 SER HA . 18322 1 130 . 1 1 12 12 SER HB2 H 1 3.890 . . 1 . . . A 12 SER HB2 . 18322 1 131 . 1 1 12 12 SER HB3 H 1 3.890 . . 1 . . . A 12 SER HB3 . 18322 1 132 . 1 1 12 12 SER C C 13 175.207 . . 1 . . . A 12 SER C . 18322 1 133 . 1 1 12 12 SER CA C 13 61.033 . . 1 . . . A 12 SER CA . 18322 1 134 . 1 1 12 12 SER CB C 13 63.240 . . 1 . . . A 12 SER CB . 18322 1 135 . 1 1 12 12 SER N N 15 115.485 . . 1 . . . A 12 SER N . 18322 1 136 . 1 1 13 13 TRP H H 1 6.934 . . 1 . . . A 13 TRP H . 18322 1 137 . 1 1 13 13 TRP HA H 1 4.761 . . 1 . . . A 13 TRP HA . 18322 1 138 . 1 1 13 13 TRP HB2 H 1 3.545 . . 1 . . . A 13 TRP HB2 . 18322 1 139 . 1 1 13 13 TRP HB3 H 1 3.210 . . 1 . . . A 13 TRP HB3 . 18322 1 140 . 1 1 13 13 TRP HD1 H 1 7.343 . . 1 . . . A 13 TRP HD1 . 18322 1 141 . 1 1 13 13 TRP HE1 H 1 11.168 . . 1 . . . A 13 TRP HE1 . 18322 1 142 . 1 1 13 13 TRP HE3 H 1 7.477 . . 1 . . . A 13 TRP HE3 . 18322 1 143 . 1 1 13 13 TRP HZ2 H 1 7.590 . . 1 . . . A 13 TRP HZ2 . 18322 1 144 . 1 1 13 13 TRP HZ3 H 1 7.250 . . 1 . . . A 13 TRP HZ3 . 18322 1 145 . 1 1 13 13 TRP HH2 H 1 7.308 . . 1 . . . A 13 TRP HH2 . 18322 1 146 . 1 1 13 13 TRP C C 13 175.922 . . 1 . . . A 13 TRP C . 18322 1 147 . 1 1 13 13 TRP CA C 13 54.108 . . 1 . . . A 13 TRP CA . 18322 1 148 . 1 1 13 13 TRP CB C 13 29.773 . . 1 . . . A 13 TRP CB . 18322 1 149 . 1 1 13 13 TRP CD1 C 13 128.910 . . 1 . . . A 13 TRP CD1 . 18322 1 150 . 1 1 13 13 TRP CE3 C 13 121.390 . . 1 . . . A 13 TRP CE3 . 18322 1 151 . 1 1 13 13 TRP CZ2 C 13 114.870 . . 1 . . . A 13 TRP CZ2 . 18322 1 152 . 1 1 13 13 TRP CZ3 C 13 122.330 . . 1 . . . A 13 TRP CZ3 . 18322 1 153 . 1 1 13 13 TRP CH2 C 13 124.950 . . 1 . . . A 13 TRP CH2 . 18322 1 154 . 1 1 13 13 TRP N N 15 116.393 . . 1 . . . A 13 TRP N . 18322 1 155 . 1 1 13 13 TRP NE1 N 15 133.122 . . 1 . . . A 13 TRP NE1 . 18322 1 156 . 1 1 14 14 CYS H H 1 6.254 . . 1 . . . A 14 CYS H . 18322 1 157 . 1 1 14 14 CYS HA H 1 4.230 . . 1 . . . A 14 CYS HA . 18322 1 158 . 1 1 14 14 CYS HB2 H 1 2.405 . . 1 . . . A 14 CYS HB2 . 18322 1 159 . 1 1 14 14 CYS HB3 H 1 2.176 . . 1 . . . A 14 CYS HB3 . 18322 1 160 . 1 1 14 14 CYS C C 13 178.318 . . 1 . . . A 14 CYS C . 18322 1 161 . 1 1 14 14 CYS CA C 13 60.580 . . 1 . . . A 14 CYS CA . 18322 1 162 . 1 1 14 14 CYS CB C 13 30.472 . . 1 . . . A 14 CYS CB . 18322 1 163 . 1 1 14 14 CYS N N 15 125.897 . . 1 . . . A 14 CYS N . 18322 1 164 . 1 1 15 15 GLY H H 1 9.023 . . 1 . . . A 15 GLY H . 18322 1 165 . 1 1 15 15 GLY HA2 H 1 3.921 . . 1 . . . A 15 GLY HA2 . 18322 1 166 . 1 1 15 15 GLY HA3 H 1 3.921 . . 1 . . . A 15 GLY HA3 . 18322 1 167 . 1 1 15 15 GLY C C 13 176.991 . . 1 . . . A 15 GLY C . 18322 1 168 . 1 1 15 15 GLY CA C 13 47.401 . . 1 . . . A 15 GLY CA . 18322 1 169 . 1 1 15 15 GLY N N 15 119.671 . . 1 . . . A 15 GLY N . 18322 1 170 . 1 1 16 16 TYR H H 1 9.567 . . 1 . . . A 16 TYR H . 18322 1 171 . 1 1 16 16 TYR HA H 1 4.251 . . 1 . . . A 16 TYR HA . 18322 1 172 . 1 1 16 16 TYR HB2 H 1 3.164 . . 1 . . . A 16 TYR HB2 . 18322 1 173 . 1 1 16 16 TYR HB3 H 1 3.021 . . 1 . . . A 16 TYR HB3 . 18322 1 174 . 1 1 16 16 TYR HD1 H 1 7.351 . . 3 . . . A 16 TYR HD1 . 18322 1 175 . 1 1 16 16 TYR HD2 H 1 7.351 . . 3 . . . A 16 TYR HD2 . 18322 1 176 . 1 1 16 16 TYR HE1 H 1 6.943 . . 3 . . . A 16 TYR HE1 . 18322 1 177 . 1 1 16 16 TYR HE2 H 1 6.943 . . 3 . . . A 16 TYR HE2 . 18322 1 178 . 1 1 16 16 TYR C C 13 180.600 . . 1 . . . A 16 TYR C . 18322 1 179 . 1 1 16 16 TYR CA C 13 61.912 . . 1 . . . A 16 TYR CA . 18322 1 180 . 1 1 16 16 TYR CB C 13 37.749 . . 1 . . . A 16 TYR CB . 18322 1 181 . 1 1 16 16 TYR CD1 C 13 133.370 . . 3 . . . A 16 TYR CD1 . 18322 1 182 . 1 1 16 16 TYR CD2 C 13 133.370 . . 3 . . . A 16 TYR CD2 . 18322 1 183 . 1 1 16 16 TYR CE1 C 13 118.290 . . 3 . . . A 16 TYR CE1 . 18322 1 184 . 1 1 16 16 TYR CE2 C 13 118.290 . . 3 . . . A 16 TYR CE2 . 18322 1 185 . 1 1 16 16 TYR N N 15 127.153 . . 1 . . . A 16 TYR N . 18322 1 186 . 1 1 17 17 CYS H H 1 9.819 . . 1 . . . A 17 CYS H . 18322 1 187 . 1 1 17 17 CYS HA H 1 3.796 . . 1 . . . A 17 CYS HA . 18322 1 188 . 1 1 17 17 CYS HB2 H 1 3.538 . . 1 . . . A 17 CYS HB2 . 18322 1 189 . 1 1 17 17 CYS HB3 H 1 2.394 . . 1 . . . A 17 CYS HB3 . 18322 1 190 . 1 1 17 17 CYS C C 13 176.170 . . 1 . . . A 17 CYS C . 18322 1 191 . 1 1 17 17 CYS CA C 13 64.998 . . 1 . . . A 17 CYS CA . 18322 1 192 . 1 1 17 17 CYS CB C 13 28.616 . . 1 . . . A 17 CYS CB . 18322 1 193 . 1 1 17 17 CYS N N 15 127.724 . . 1 . . . A 17 CYS N . 18322 1 194 . 1 1 18 18 LEU H H 1 7.780 . . 1 . . . A 18 LEU H . 18322 1 195 . 1 1 18 18 LEU HA H 1 3.956 . . 1 . . . A 18 LEU HA . 18322 1 196 . 1 1 18 18 LEU HB2 H 1 1.761 . . 1 . . . A 18 LEU HB2 . 18322 1 197 . 1 1 18 18 LEU HB3 H 1 1.731 . . 1 . . . A 18 LEU HB3 . 18322 1 198 . 1 1 18 18 LEU HG H 1 1.609 . . 1 . . . A 18 LEU HG . 18322 1 199 . 1 1 18 18 LEU HD11 H 1 0.909 . . 2 . . . A 18 LEU HD11 . 18322 1 200 . 1 1 18 18 LEU HD12 H 1 0.909 . . 2 . . . A 18 LEU HD12 . 18322 1 201 . 1 1 18 18 LEU HD13 H 1 0.909 . . 2 . . . A 18 LEU HD13 . 18322 1 202 . 1 1 18 18 LEU HD21 H 1 0.909 . . 2 . . . A 18 LEU HD21 . 18322 1 203 . 1 1 18 18 LEU HD22 H 1 0.909 . . 2 . . . A 18 LEU HD22 . 18322 1 204 . 1 1 18 18 LEU HD23 H 1 0.909 . . 2 . . . A 18 LEU HD23 . 18322 1 205 . 1 1 18 18 LEU C C 13 179.462 . . 1 . . . A 18 LEU C . 18322 1 206 . 1 1 18 18 LEU CA C 13 58.651 . . 1 . . . A 18 LEU CA . 18322 1 207 . 1 1 18 18 LEU CB C 13 41.547 . . 1 . . . A 18 LEU CB . 18322 1 208 . 1 1 18 18 LEU CG C 13 27.000 . . 1 . . . A 18 LEU CG . 18322 1 209 . 1 1 18 18 LEU CD1 C 13 24.500 . . 1 . . . A 18 LEU CD1 . 18322 1 210 . 1 1 18 18 LEU CD2 C 13 24.500 . . 1 . . . A 18 LEU CD2 . 18322 1 211 . 1 1 18 18 LEU N N 15 120.018 . . 1 . . . A 18 LEU N . 18322 1 212 . 1 1 19 19 ARG H H 1 8.115 . . 1 . . . A 19 ARG H . 18322 1 213 . 1 1 19 19 ARG HA H 1 3.996 . . 1 . . . A 19 ARG HA . 18322 1 214 . 1 1 19 19 ARG HB2 H 1 1.880 . . 1 . . . A 19 ARG HB2 . 18322 1 215 . 1 1 19 19 ARG HB3 H 1 1.880 . . 1 . . . A 19 ARG HB3 . 18322 1 216 . 1 1 19 19 ARG HG2 H 1 1.734 . . 2 . . . A 19 ARG HG2 . 18322 1 217 . 1 1 19 19 ARG HG3 H 1 1.657 . . 2 . . . A 19 ARG HG3 . 18322 1 218 . 1 1 19 19 ARG HD2 H 1 3.247 . . 2 . . . A 19 ARG HD2 . 18322 1 219 . 1 1 19 19 ARG HD3 H 1 3.122 . . 2 . . . A 19 ARG HD3 . 18322 1 220 . 1 1 19 19 ARG C C 13 179.106 . . 1 . . . A 19 ARG C . 18322 1 221 . 1 1 19 19 ARG CA C 13 60.002 . . 1 . . . A 19 ARG CA . 18322 1 222 . 1 1 19 19 ARG CB C 13 30.420 . . 1 . . . A 19 ARG CB . 18322 1 223 . 1 1 19 19 ARG CG C 13 27.150 . . 1 . . . A 19 ARG CG . 18322 1 224 . 1 1 19 19 ARG CD C 13 43.500 . . 1 . . . A 19 ARG CD . 18322 1 225 . 1 1 19 19 ARG N N 15 119.445 . . 1 . . . A 19 ARG N . 18322 1 226 . 1 1 20 20 LEU H H 1 7.999 . . 1 . . . A 20 LEU H . 18322 1 227 . 1 1 20 20 LEU HA H 1 4.304 . . 1 . . . A 20 LEU HA . 18322 1 228 . 1 1 20 20 LEU HB2 H 1 1.748 . . 1 . . . A 20 LEU HB2 . 18322 1 229 . 1 1 20 20 LEU HB3 H 1 1.690 . . 1 . . . A 20 LEU HB3 . 18322 1 230 . 1 1 20 20 LEU HG H 1 1.235 . . 1 . . . A 20 LEU HG . 18322 1 231 . 1 1 20 20 LEU HD11 H 1 0.825 . . 2 . . . A 20 LEU HD11 . 18322 1 232 . 1 1 20 20 LEU HD12 H 1 0.825 . . 2 . . . A 20 LEU HD12 . 18322 1 233 . 1 1 20 20 LEU HD13 H 1 0.825 . . 2 . . . A 20 LEU HD13 . 18322 1 234 . 1 1 20 20 LEU HD21 H 1 0.700 . . 2 . . . A 20 LEU HD21 . 18322 1 235 . 1 1 20 20 LEU HD22 H 1 0.700 . . 2 . . . A 20 LEU HD22 . 18322 1 236 . 1 1 20 20 LEU HD23 H 1 0.700 . . 2 . . . A 20 LEU HD23 . 18322 1 237 . 1 1 20 20 LEU C C 13 178.174 . . 1 . . . A 20 LEU C . 18322 1 238 . 1 1 20 20 LEU CA C 13 57.978 . . 1 . . . A 20 LEU CA . 18322 1 239 . 1 1 20 20 LEU CB C 13 40.945 . . 1 . . . A 20 LEU CB . 18322 1 240 . 1 1 20 20 LEU N N 15 120.995 . . 1 . . . A 20 LEU N . 18322 1 241 . 1 1 21 21 LYS H H 1 8.106 . . 1 . . . A 21 LYS H . 18322 1 242 . 1 1 21 21 LYS HA H 1 3.338 . . 1 . . . A 21 LYS HA . 18322 1 243 . 1 1 21 21 LYS HB2 H 1 1.884 . . 1 . . . A 21 LYS HB2 . 18322 1 244 . 1 1 21 21 LYS HB3 H 1 1.884 . . 1 . . . A 21 LYS HB3 . 18322 1 245 . 1 1 21 21 LYS HG2 H 1 1.363 . . 2 . . . A 21 LYS HG2 . 18322 1 246 . 1 1 21 21 LYS HG3 H 1 0.902 . . 2 . . . A 21 LYS HG3 . 18322 1 247 . 1 1 21 21 LYS HD2 H 1 1.537 . . 2 . . . A 21 LYS HD2 . 18322 1 248 . 1 1 21 21 LYS HD3 H 1 1.444 . . 2 . . . A 21 LYS HD3 . 18322 1 249 . 1 1 21 21 LYS HE2 H 1 2.560 . . 2 . . . A 21 LYS HE2 . 18322 1 250 . 1 1 21 21 LYS HE3 H 1 2.560 . . 2 . . . A 21 LYS HE3 . 18322 1 251 . 1 1 21 21 LYS C C 13 179.192 . . 1 . . . A 21 LYS C . 18322 1 252 . 1 1 21 21 LYS CA C 13 61.415 . . 1 . . . A 21 LYS CA . 18322 1 253 . 1 1 21 21 LYS CB C 13 31.791 . . 1 . . . A 21 LYS CB . 18322 1 254 . 1 1 21 21 LYS CG C 13 26.200 . . 1 . . . A 21 LYS CG . 18322 1 255 . 1 1 21 21 LYS CD C 13 25.450 . . 1 . . . A 21 LYS CD . 18322 1 256 . 1 1 21 21 LYS CE C 13 41.250 . . 1 . . . A 21 LYS CE . 18322 1 257 . 1 1 21 21 LYS N N 15 118.260 . . 1 . . . A 21 LYS N . 18322 1 258 . 1 1 22 22 THR H H 1 8.157 . . 1 . . . A 22 THR H . 18322 1 259 . 1 1 22 22 THR HA H 1 3.906 . . 1 . . . A 22 THR HA . 18322 1 260 . 1 1 22 22 THR HB H 1 4.239 . . 1 . . . A 22 THR HB . 18322 1 261 . 1 1 22 22 THR HG21 H 1 1.269 . . 1 . . . A 22 THR HG21 . 18322 1 262 . 1 1 22 22 THR HG22 H 1 1.269 . . 1 . . . A 22 THR HG22 . 18322 1 263 . 1 1 22 22 THR HG23 H 1 1.269 . . 1 . . . A 22 THR HG23 . 18322 1 264 . 1 1 22 22 THR C C 13 176.569 . . 1 . . . A 22 THR C . 18322 1 265 . 1 1 22 22 THR CA C 13 66.851 . . 1 . . . A 22 THR CA . 18322 1 266 . 1 1 22 22 THR CB C 13 68.873 . . 1 . . . A 22 THR CB . 18322 1 267 . 1 1 22 22 THR CG2 C 13 21.400 . . 1 . . . A 22 THR CG2 . 18322 1 268 . 1 1 22 22 THR N N 15 115.320 . . 1 . . . A 22 THR N . 18322 1 269 . 1 1 23 23 ALA H H 1 7.956 . . 1 . . . A 23 ALA H . 18322 1 270 . 1 1 23 23 ALA HA H 1 4.304 . . 1 . . . A 23 ALA HA . 18322 1 271 . 1 1 23 23 ALA HB1 H 1 1.527 . . 1 . . . A 23 ALA HB1 . 18322 1 272 . 1 1 23 23 ALA HB2 H 1 1.527 . . 1 . . . A 23 ALA HB2 . 18322 1 273 . 1 1 23 23 ALA HB3 H 1 1.527 . . 1 . . . A 23 ALA HB3 . 18322 1 274 . 1 1 23 23 ALA C C 13 181.072 . . 1 . . . A 23 ALA C . 18322 1 275 . 1 1 23 23 ALA CA C 13 55.083 . . 1 . . . A 23 ALA CA . 18322 1 276 . 1 1 23 23 ALA CB C 13 19.095 . . 1 . . . A 23 ALA CB . 18322 1 277 . 1 1 23 23 ALA N N 15 125.271 . . 1 . . . A 23 ALA N . 18322 1 278 . 1 1 24 24 LEU H H 1 8.943 . . 1 . . . A 24 LEU H . 18322 1 279 . 1 1 24 24 LEU HA H 1 4.028 . . 1 . . . A 24 LEU HA . 18322 1 280 . 1 1 24 24 LEU HB2 H 1 2.022 . . 1 . . . A 24 LEU HB2 . 18322 1 281 . 1 1 24 24 LEU HB3 H 1 1.612 . . 1 . . . A 24 LEU HB3 . 18322 1 282 . 1 1 24 24 LEU HG H 1 1.935 . . 1 . . . A 24 LEU HG . 18322 1 283 . 1 1 24 24 LEU HD11 H 1 0.735 . . 2 . . . A 24 LEU HD11 . 18322 1 284 . 1 1 24 24 LEU HD12 H 1 0.735 . . 2 . . . A 24 LEU HD12 . 18322 1 285 . 1 1 24 24 LEU HD13 H 1 0.735 . . 2 . . . A 24 LEU HD13 . 18322 1 286 . 1 1 24 24 LEU HD21 H 1 0.409 . . 2 . . . A 24 LEU HD21 . 18322 1 287 . 1 1 24 24 LEU HD22 H 1 0.409 . . 2 . . . A 24 LEU HD22 . 18322 1 288 . 1 1 24 24 LEU HD23 H 1 0.409 . . 2 . . . A 24 LEU HD23 . 18322 1 289 . 1 1 24 24 LEU C C 13 179.677 . . 1 . . . A 24 LEU C . 18322 1 290 . 1 1 24 24 LEU CA C 13 58.881 . . 1 . . . A 24 LEU CA . 18322 1 291 . 1 1 24 24 LEU CB C 13 40.004 . . 1 . . . A 24 LEU CB . 18322 1 292 . 1 1 24 24 LEU CG C 13 26.360 . . 1 . . . A 24 LEU CG . 18322 1 293 . 1 1 24 24 LEU CD1 C 13 22.300 . . 1 . . . A 24 LEU CD1 . 18322 1 294 . 1 1 24 24 LEU CD2 C 13 26.400 . . 1 . . . A 24 LEU CD2 . 18322 1 295 . 1 1 24 24 LEU N N 15 120.236 . . 1 . . . A 24 LEU N . 18322 1 296 . 1 1 25 25 THR H H 1 8.573 . . 1 . . . A 25 THR H . 18322 1 297 . 1 1 25 25 THR HA H 1 4.211 . . 1 . . . A 25 THR HA . 18322 1 298 . 1 1 25 25 THR HB H 1 4.334 . . 1 . . . A 25 THR HB . 18322 1 299 . 1 1 25 25 THR HG21 H 1 1.290 . . 1 . . . A 25 THR HG21 . 18322 1 300 . 1 1 25 25 THR HG22 H 1 1.290 . . 1 . . . A 25 THR HG22 . 18322 1 301 . 1 1 25 25 THR HG23 H 1 1.290 . . 1 . . . A 25 THR HG23 . 18322 1 302 . 1 1 25 25 THR C C 13 178.558 . . 1 . . . A 25 THR C . 18322 1 303 . 1 1 25 25 THR CA C 13 67.151 . . 1 . . . A 25 THR CA . 18322 1 304 . 1 1 25 25 THR CB C 13 68.653 . . 1 . . . A 25 THR CB . 18322 1 305 . 1 1 25 25 THR CG2 C 13 22.050 . . 1 . . . A 25 THR CG2 . 18322 1 306 . 1 1 25 25 THR N N 15 118.461 . . 1 . . . A 25 THR N . 18322 1 307 . 1 1 26 26 ALA H H 1 8.356 . . 1 . . . A 26 ALA H . 18322 1 308 . 1 1 26 26 ALA HA H 1 4.189 . . 1 . . . A 26 ALA HA . 18322 1 309 . 1 1 26 26 ALA HB1 H 1 1.537 . . 1 . . . A 26 ALA HB1 . 18322 1 310 . 1 1 26 26 ALA HB2 H 1 1.537 . . 1 . . . A 26 ALA HB2 . 18322 1 311 . 1 1 26 26 ALA HB3 H 1 1.537 . . 1 . . . A 26 ALA HB3 . 18322 1 312 . 1 1 26 26 ALA C C 13 178.576 . . 1 . . . A 26 ALA C . 18322 1 313 . 1 1 26 26 ALA CA C 13 55.161 . . 1 . . . A 26 ALA CA . 18322 1 314 . 1 1 26 26 ALA CB C 13 17.902 . . 1 . . . A 26 ALA CB . 18322 1 315 . 1 1 26 26 ALA N N 15 126.132 . . 1 . . . A 26 ALA N . 18322 1 316 . 1 1 27 27 ASN H H 1 7.473 . . 1 . . . A 27 ASN H . 18322 1 317 . 1 1 27 27 ASN HA H 1 4.685 . . 1 . . . A 27 ASN HA . 18322 1 318 . 1 1 27 27 ASN HB2 H 1 2.924 . . 1 . . . A 27 ASN HB2 . 18322 1 319 . 1 1 27 27 ASN HB3 H 1 2.620 . . 1 . . . A 27 ASN HB3 . 18322 1 320 . 1 1 27 27 ASN HD21 H 1 7.647 . . 1 . . . A 27 ASN HD21 . 18322 1 321 . 1 1 27 27 ASN HD22 H 1 7.332 . . 1 . . . A 27 ASN HD22 . 18322 1 322 . 1 1 27 27 ASN C C 13 172.743 . . 1 . . . A 27 ASN C . 18322 1 323 . 1 1 27 27 ASN CA C 13 53.767 . . 1 . . . A 27 ASN CA . 18322 1 324 . 1 1 27 27 ASN CB C 13 40.638 . . 1 . . . A 27 ASN CB . 18322 1 325 . 1 1 27 27 ASN N N 15 114.678 . . 1 . . . A 27 ASN N . 18322 1 326 . 1 1 27 27 ASN ND2 N 15 114.064 . . 1 . . . A 27 ASN ND2 . 18322 1 327 . 1 1 28 28 ARG H H 1 8.164 . . 1 . . . A 28 ARG H . 18322 1 328 . 1 1 28 28 ARG HA H 1 3.950 . . 1 . . . A 28 ARG HA . 18322 1 329 . 1 1 28 28 ARG HB2 H 1 2.076 . . 1 . . . A 28 ARG HB2 . 18322 1 330 . 1 1 28 28 ARG HB3 H 1 2.001 . . 1 . . . A 28 ARG HB3 . 18322 1 331 . 1 1 28 28 ARG HG2 H 1 1.575 . . 2 . . . A 28 ARG HG2 . 18322 1 332 . 1 1 28 28 ARG HG3 H 1 1.575 . . 2 . . . A 28 ARG HG3 . 18322 1 333 . 1 1 28 28 ARG HD2 H 1 3.240 . . 2 . . . A 28 ARG HD2 . 18322 1 334 . 1 1 28 28 ARG HD3 H 1 3.170 . . 2 . . . A 28 ARG HD3 . 18322 1 335 . 1 1 28 28 ARG C C 13 175.079 . . 1 . . . A 28 ARG C . 18322 1 336 . 1 1 28 28 ARG CA C 13 57.092 . . 1 . . . A 28 ARG CA . 18322 1 337 . 1 1 28 28 ARG CB C 13 26.396 . . 1 . . . A 28 ARG CB . 18322 1 338 . 1 1 28 28 ARG CG C 13 27.500 . . 1 . . . A 28 ARG CG . 18322 1 339 . 1 1 28 28 ARG CD C 13 43.300 . . 1 . . . A 28 ARG CD . 18322 1 340 . 1 1 28 28 ARG N N 15 115.726 . . 1 . . . A 28 ARG N . 18322 1 341 . 1 1 29 29 ILE H H 1 8.026 . . 1 . . . A 29 ILE H . 18322 1 342 . 1 1 29 29 ILE HA H 1 4.104 . . 1 . . . A 29 ILE HA . 18322 1 343 . 1 1 29 29 ILE HB H 1 1.677 . . 1 . . . A 29 ILE HB . 18322 1 344 . 1 1 29 29 ILE HG12 H 1 1.505 . . 1 . . . A 29 ILE HG12 . 18322 1 345 . 1 1 29 29 ILE HG13 H 1 0.978 . . 1 . . . A 29 ILE HG13 . 18322 1 346 . 1 1 29 29 ILE HG21 H 1 0.832 . . 1 . . . A 29 ILE HG21 . 18322 1 347 . 1 1 29 29 ILE HG22 H 1 0.832 . . 1 . . . A 29 ILE HG22 . 18322 1 348 . 1 1 29 29 ILE HG23 H 1 0.832 . . 1 . . . A 29 ILE HG23 . 18322 1 349 . 1 1 29 29 ILE HD11 H 1 0.784 . . 1 . . . A 29 ILE HD11 . 18322 1 350 . 1 1 29 29 ILE HD12 H 1 0.784 . . 1 . . . A 29 ILE HD12 . 18322 1 351 . 1 1 29 29 ILE HD13 H 1 0.784 . . 1 . . . A 29 ILE HD13 . 18322 1 352 . 1 1 29 29 ILE C C 13 175.053 . . 1 . . . A 29 ILE C . 18322 1 353 . 1 1 29 29 ILE CA C 13 60.615 . . 1 . . . A 29 ILE CA . 18322 1 354 . 1 1 29 29 ILE CB C 13 38.596 . . 1 . . . A 29 ILE CB . 18322 1 355 . 1 1 29 29 ILE CG1 C 13 27.300 . . 1 . . . A 29 ILE CG1 . 18322 1 356 . 1 1 29 29 ILE CG2 C 13 17.970 . . 1 . . . A 29 ILE CG2 . 18322 1 357 . 1 1 29 29 ILE CD1 C 13 13.630 . . 1 . . . A 29 ILE CD1 . 18322 1 358 . 1 1 29 29 ILE N N 15 121.060 . . 1 . . . A 29 ILE N . 18322 1 359 . 1 1 30 30 ALA H H 1 8.330 . . 1 . . . A 30 ALA H . 18322 1 360 . 1 1 30 30 ALA HA H 1 4.180 . . 1 . . . A 30 ALA HA . 18322 1 361 . 1 1 30 30 ALA HB1 H 1 1.297 . . 1 . . . A 30 ALA HB1 . 18322 1 362 . 1 1 30 30 ALA HB2 H 1 1.297 . . 1 . . . A 30 ALA HB2 . 18322 1 363 . 1 1 30 30 ALA HB3 H 1 1.297 . . 1 . . . A 30 ALA HB3 . 18322 1 364 . 1 1 30 30 ALA C C 13 176.389 . . 1 . . . A 30 ALA C . 18322 1 365 . 1 1 30 30 ALA CA C 13 51.873 . . 1 . . . A 30 ALA CA . 18322 1 366 . 1 1 30 30 ALA CB C 13 19.603 . . 1 . . . A 30 ALA CB . 18322 1 367 . 1 1 30 30 ALA N N 15 131.170 . . 1 . . . A 30 ALA N . 18322 1 368 . 1 1 31 31 TYR H H 1 7.532 . . 1 . . . A 31 TYR H . 18322 1 369 . 1 1 31 31 TYR HA H 1 5.083 . . 1 . . . A 31 TYR HA . 18322 1 370 . 1 1 31 31 TYR HB2 H 1 2.678 . . 1 . . . A 31 TYR HB2 . 18322 1 371 . 1 1 31 31 TYR HB3 H 1 2.582 . . 1 . . . A 31 TYR HB3 . 18322 1 372 . 1 1 31 31 TYR HD1 H 1 6.693 . . 3 . . . A 31 TYR HD1 . 18322 1 373 . 1 1 31 31 TYR HD2 H 1 6.693 . . 3 . . . A 31 TYR HD2 . 18322 1 374 . 1 1 31 31 TYR HE1 H 1 6.714 . . 3 . . . A 31 TYR HE1 . 18322 1 375 . 1 1 31 31 TYR HE2 H 1 6.714 . . 3 . . . A 31 TYR HE2 . 18322 1 376 . 1 1 31 31 TYR C C 13 173.462 . . 1 . . . A 31 TYR C . 18322 1 377 . 1 1 31 31 TYR CA C 13 55.514 . . 1 . . . A 31 TYR CA . 18322 1 378 . 1 1 31 31 TYR CB C 13 41.073 . . 1 . . . A 31 TYR CB . 18322 1 379 . 1 1 31 31 TYR CD1 C 13 134.350 . . 3 . . . A 31 TYR CD1 . 18322 1 380 . 1 1 31 31 TYR CD2 C 13 134.350 . . 3 . . . A 31 TYR CD2 . 18322 1 381 . 1 1 31 31 TYR CE1 C 13 117.340 . . 3 . . . A 31 TYR CE1 . 18322 1 382 . 1 1 31 31 TYR CE2 C 13 117.340 . . 3 . . . A 31 TYR CE2 . 18322 1 383 . 1 1 31 31 TYR N N 15 114.343 . . 1 . . . A 31 TYR N . 18322 1 384 . 1 1 32 32 ASP H H 1 8.475 . . 1 . . . A 32 ASP H . 18322 1 385 . 1 1 32 32 ASP HA H 1 4.929 . . 1 . . . A 32 ASP HA . 18322 1 386 . 1 1 32 32 ASP HB2 H 1 2.536 . . 1 . . . A 32 ASP HB2 . 18322 1 387 . 1 1 32 32 ASP HB3 H 1 2.476 . . 1 . . . A 32 ASP HB3 . 18322 1 388 . 1 1 32 32 ASP C C 13 174.554 . . 1 . . . A 32 ASP C . 18322 1 389 . 1 1 32 32 ASP CA C 13 52.945 . . 1 . . . A 32 ASP CA . 18322 1 390 . 1 1 32 32 ASP CB C 13 42.657 . . 1 . . . A 32 ASP CB . 18322 1 391 . 1 1 32 32 ASP N N 15 121.053 . . 1 . . . A 32 ASP N . 18322 1 392 . 1 1 33 33 GLU H H 1 8.856 . . 1 . . . A 33 GLU H . 18322 1 393 . 1 1 33 33 GLU HA H 1 5.169 . . 1 . . . A 33 GLU HA . 18322 1 394 . 1 1 33 33 GLU HB2 H 1 2.030 . . 1 . . . A 33 GLU HB2 . 18322 1 395 . 1 1 33 33 GLU HB3 H 1 1.693 . . 1 . . . A 33 GLU HB3 . 18322 1 396 . 1 1 33 33 GLU HG2 H 1 2.085 . . 2 . . . A 33 GLU HG2 . 18322 1 397 . 1 1 33 33 GLU HG3 H 1 1.937 . . 2 . . . A 33 GLU HG3 . 18322 1 398 . 1 1 33 33 GLU C C 13 175.104 . . 1 . . . A 33 GLU C . 18322 1 399 . 1 1 33 33 GLU CA C 13 54.565 . . 1 . . . A 33 GLU CA . 18322 1 400 . 1 1 33 33 GLU CB C 13 32.354 . . 1 . . . A 33 GLU CB . 18322 1 401 . 1 1 33 33 GLU CG C 13 35.930 . . 1 . . . A 33 GLU CG . 18322 1 402 . 1 1 33 33 GLU N N 15 125.205 . . 1 . . . A 33 GLU N . 18322 1 403 . 1 1 34 34 VAL H H 1 8.765 . . 1 . . . A 34 VAL H . 18322 1 404 . 1 1 34 34 VAL HA H 1 4.039 . . 1 . . . A 34 VAL HA . 18322 1 405 . 1 1 34 34 VAL HB H 1 1.606 . . 1 . . . A 34 VAL HB . 18322 1 406 . 1 1 34 34 VAL HG11 H 1 0.548 . . 2 . . . A 34 VAL HG11 . 18322 1 407 . 1 1 34 34 VAL HG12 H 1 0.548 . . 2 . . . A 34 VAL HG12 . 18322 1 408 . 1 1 34 34 VAL HG13 H 1 0.548 . . 2 . . . A 34 VAL HG13 . 18322 1 409 . 1 1 34 34 VAL HG21 H 1 0.832 . . 2 . . . A 34 VAL HG21 . 18322 1 410 . 1 1 34 34 VAL HG22 H 1 0.832 . . 2 . . . A 34 VAL HG22 . 18322 1 411 . 1 1 34 34 VAL HG23 H 1 0.832 . . 2 . . . A 34 VAL HG23 . 18322 1 412 . 1 1 34 34 VAL C C 13 173.527 . . 1 . . . A 34 VAL C . 18322 1 413 . 1 1 34 34 VAL CA C 13 61.477 . . 1 . . . A 34 VAL CA . 18322 1 414 . 1 1 34 34 VAL CB C 13 34.258 . . 1 . . . A 34 VAL CB . 18322 1 415 . 1 1 34 34 VAL CG1 C 13 20.450 . . 1 . . . A 34 VAL CG1 . 18322 1 416 . 1 1 34 34 VAL CG2 C 13 21.450 . . 1 . . . A 34 VAL CG2 . 18322 1 417 . 1 1 34 34 VAL N N 15 128.952 . . 1 . . . A 34 VAL N . 18322 1 418 . 1 1 35 35 ASP H H 1 8.406 . . 1 . . . A 35 ASP H . 18322 1 419 . 1 1 35 35 ASP HA H 1 4.971 . . 1 . . . A 35 ASP HA . 18322 1 420 . 1 1 35 35 ASP HB2 H 1 2.790 . . 1 . . . A 35 ASP HB2 . 18322 1 421 . 1 1 35 35 ASP HB3 H 1 2.391 . . 1 . . . A 35 ASP HB3 . 18322 1 422 . 1 1 35 35 ASP C C 13 179.431 . . 1 . . . A 35 ASP C . 18322 1 423 . 1 1 35 35 ASP CA C 13 52.699 . . 1 . . . A 35 ASP CA . 18322 1 424 . 1 1 35 35 ASP CB C 13 41.969 . . 1 . . . A 35 ASP CB . 18322 1 425 . 1 1 35 35 ASP N N 15 127.285 . . 1 . . . A 35 ASP N . 18322 1 426 . 1 1 36 36 ILE H H 1 9.093 . . 1 . . . A 36 ILE H . 18322 1 427 . 1 1 36 36 ILE HA H 1 4.344 . . 1 . . . A 36 ILE HA . 18322 1 428 . 1 1 36 36 ILE HB H 1 1.975 . . 1 . . . A 36 ILE HB . 18322 1 429 . 1 1 36 36 ILE HG12 H 1 1.235 . . 1 . . . A 36 ILE HG12 . 18322 1 430 . 1 1 36 36 ILE HG13 H 1 1.205 . . 1 . . . A 36 ILE HG13 . 18322 1 431 . 1 1 36 36 ILE HG21 H 1 1.158 . . 1 . . . A 36 ILE HG21 . 18322 1 432 . 1 1 36 36 ILE HG22 H 1 1.158 . . 1 . . . A 36 ILE HG22 . 18322 1 433 . 1 1 36 36 ILE HG23 H 1 1.158 . . 1 . . . A 36 ILE HG23 . 18322 1 434 . 1 1 36 36 ILE HD11 H 1 0.728 . . 1 . . . A 36 ILE HD11 . 18322 1 435 . 1 1 36 36 ILE HD12 H 1 0.728 . . 1 . . . A 36 ILE HD12 . 18322 1 436 . 1 1 36 36 ILE HD13 H 1 0.728 . . 1 . . . A 36 ILE HD13 . 18322 1 437 . 1 1 36 36 ILE C C 13 177.085 . . 1 . . . A 36 ILE C . 18322 1 438 . 1 1 36 36 ILE CA C 13 63.818 . . 1 . . . A 36 ILE CA . 18322 1 439 . 1 1 36 36 ILE CB C 13 37.927 . . 1 . . . A 36 ILE CB . 18322 1 440 . 1 1 36 36 ILE CG1 C 13 26.040 . . 1 . . . A 36 ILE CG1 . 18322 1 441 . 1 1 36 36 ILE CG2 C 13 19.610 . . 1 . . . A 36 ILE CG2 . 18322 1 442 . 1 1 36 36 ILE CD1 C 13 15.400 . . 1 . . . A 36 ILE CD1 . 18322 1 443 . 1 1 36 36 ILE N N 15 120.558 . . 1 . . . A 36 ILE N . 18322 1 444 . 1 1 37 37 GLU H H 1 8.803 . . 1 . . . A 37 GLU H . 18322 1 445 . 1 1 37 37 GLU HA H 1 4.150 . . 1 . . . A 37 GLU HA . 18322 1 446 . 1 1 37 37 GLU HB2 H 1 2.107 . . 1 . . . A 37 GLU HB2 . 18322 1 447 . 1 1 37 37 GLU HB3 H 1 1.921 . . 1 . . . A 37 GLU HB3 . 18322 1 448 . 1 1 37 37 GLU HG2 H 1 2.442 . . 2 . . . A 37 GLU HG2 . 18322 1 449 . 1 1 37 37 GLU HG3 H 1 2.442 . . 2 . . . A 37 GLU HG3 . 18322 1 450 . 1 1 37 37 GLU C C 13 177.162 . . 1 . . . A 37 GLU C . 18322 1 451 . 1 1 37 37 GLU CA C 13 58.350 . . 1 . . . A 37 GLU CA . 18322 1 452 . 1 1 37 37 GLU CB C 13 29.170 . . 1 . . . A 37 GLU CB . 18322 1 453 . 1 1 37 37 GLU CG C 13 37.840 . . 1 . . . A 37 GLU CG . 18322 1 454 . 1 1 37 37 GLU N N 15 121.671 . . 1 . . . A 37 GLU N . 18322 1 455 . 1 1 38 38 HIS H H 1 7.718 . . 1 . . . A 38 HIS H . 18322 1 456 . 1 1 38 38 HIS HA H 1 4.873 . . 1 . . . A 38 HIS HA . 18322 1 457 . 1 1 38 38 HIS HB2 H 1 3.528 . . 1 . . . A 38 HIS HB2 . 18322 1 458 . 1 1 38 38 HIS HB3 H 1 2.919 . . 1 . . . A 38 HIS HB3 . 18322 1 459 . 1 1 38 38 HIS C C 13 174.121 . . 1 . . . A 38 HIS C . 18322 1 460 . 1 1 38 38 HIS CA C 13 55.160 . . 1 . . . A 38 HIS CA . 18322 1 461 . 1 1 38 38 HIS CB C 13 30.938 . . 1 . . . A 38 HIS CB . 18322 1 462 . 1 1 38 38 HIS N N 15 114.690 . . 1 . . . A 38 HIS N . 18322 1 463 . 1 1 39 39 ASN H H 1 7.100 . . 1 . . . A 39 ASN H . 18322 1 464 . 1 1 39 39 ASN HA H 1 4.904 . . 1 . . . A 39 ASN HA . 18322 1 465 . 1 1 39 39 ASN HB2 H 1 2.885 . . 1 . . . A 39 ASN HB2 . 18322 1 466 . 1 1 39 39 ASN HB3 H 1 2.747 . . 1 . . . A 39 ASN HB3 . 18322 1 467 . 1 1 39 39 ASN HD21 H 1 7.870 . . 1 . . . A 39 ASN HD21 . 18322 1 468 . 1 1 39 39 ASN HD22 H 1 7.024 . . 1 . . . A 39 ASN HD22 . 18322 1 469 . 1 1 39 39 ASN C C 13 173.612 . . 1 . . . A 39 ASN C . 18322 1 470 . 1 1 39 39 ASN CA C 13 52.688 . . 1 . . . A 39 ASN CA . 18322 1 471 . 1 1 39 39 ASN CB C 13 39.540 . . 1 . . . A 39 ASN CB . 18322 1 472 . 1 1 39 39 ASN N N 15 118.085 . . 1 . . . A 39 ASN N . 18322 1 473 . 1 1 39 39 ASN ND2 N 15 113.539 . . 1 . . . A 39 ASN ND2 . 18322 1 474 . 1 1 40 40 ARG H H 1 8.781 . . 1 . . . A 40 ARG H . 18322 1 475 . 1 1 40 40 ARG HA H 1 4.150 . . 1 . . . A 40 ARG HA . 18322 1 476 . 1 1 40 40 ARG HB2 H 1 1.883 . . 1 . . . A 40 ARG HB2 . 18322 1 477 . 1 1 40 40 ARG HB3 H 1 1.883 . . 1 . . . A 40 ARG HB3 . 18322 1 478 . 1 1 40 40 ARG HG2 H 1 1.734 . . 2 . . . A 40 ARG HG2 . 18322 1 479 . 1 1 40 40 ARG HG3 H 1 1.660 . . 2 . . . A 40 ARG HG3 . 18322 1 480 . 1 1 40 40 ARG HD2 H 1 3.240 . . 2 . . . A 40 ARG HD2 . 18322 1 481 . 1 1 40 40 ARG HD3 H 1 3.212 . . 2 . . . A 40 ARG HD3 . 18322 1 482 . 1 1 40 40 ARG C C 13 178.335 . . 1 . . . A 40 ARG C . 18322 1 483 . 1 1 40 40 ARG CA C 13 59.428 . . 1 . . . A 40 ARG CA . 18322 1 484 . 1 1 40 40 ARG CB C 13 29.936 . . 1 . . . A 40 ARG CB . 18322 1 485 . 1 1 40 40 ARG CG C 13 27.180 . . 1 . . . A 40 ARG CG . 18322 1 486 . 1 1 40 40 ARG CD C 13 43.320 . . 1 . . . A 40 ARG CD . 18322 1 487 . 1 1 40 40 ARG N N 15 126.810 . . 1 . . . A 40 ARG N . 18322 1 488 . 1 1 41 41 ALA H H 1 8.463 . . 1 . . . A 41 ALA H . 18322 1 489 . 1 1 41 41 ALA HA H 1 4.215 . . 1 . . . A 41 ALA HA . 18322 1 490 . 1 1 41 41 ALA HB1 H 1 1.492 . . 1 . . . A 41 ALA HB1 . 18322 1 491 . 1 1 41 41 ALA HB2 H 1 1.492 . . 1 . . . A 41 ALA HB2 . 18322 1 492 . 1 1 41 41 ALA HB3 H 1 1.492 . . 1 . . . A 41 ALA HB3 . 18322 1 493 . 1 1 41 41 ALA C C 13 181.210 . . 1 . . . A 41 ALA C . 18322 1 494 . 1 1 41 41 ALA CA C 13 55.061 . . 1 . . . A 41 ALA CA . 18322 1 495 . 1 1 41 41 ALA CB C 13 17.757 . . 1 . . . A 41 ALA CB . 18322 1 496 . 1 1 41 41 ALA N N 15 122.220 . . 1 . . . A 41 ALA N . 18322 1 497 . 1 1 42 42 ALA H H 1 7.991 . . 1 . . . A 42 ALA H . 18322 1 498 . 1 1 42 42 ALA HA H 1 4.237 . . 1 . . . A 42 ALA HA . 18322 1 499 . 1 1 42 42 ALA HB1 H 1 1.645 . . 1 . . . A 42 ALA HB1 . 18322 1 500 . 1 1 42 42 ALA HB2 H 1 1.645 . . 1 . . . A 42 ALA HB2 . 18322 1 501 . 1 1 42 42 ALA HB3 H 1 1.645 . . 1 . . . A 42 ALA HB3 . 18322 1 502 . 1 1 42 42 ALA C C 13 178.954 . . 1 . . . A 42 ALA C . 18322 1 503 . 1 1 42 42 ALA CA C 13 54.451 . . 1 . . . A 42 ALA CA . 18322 1 504 . 1 1 42 42 ALA CB C 13 19.739 . . 1 . . . A 42 ALA CB . 18322 1 505 . 1 1 42 42 ALA N N 15 122.574 . . 1 . . . A 42 ALA N . 18322 1 506 . 1 1 43 43 ALA H H 1 8.138 . . 1 . . . A 43 ALA H . 18322 1 507 . 1 1 43 43 ALA HA H 1 3.808 . . 1 . . . A 43 ALA HA . 18322 1 508 . 1 1 43 43 ALA HB1 H 1 1.675 . . 1 . . . A 43 ALA HB1 . 18322 1 509 . 1 1 43 43 ALA HB2 H 1 1.675 . . 1 . . . A 43 ALA HB2 . 18322 1 510 . 1 1 43 43 ALA HB3 H 1 1.675 . . 1 . . . A 43 ALA HB3 . 18322 1 511 . 1 1 43 43 ALA C C 13 180.048 . . 1 . . . A 43 ALA C . 18322 1 512 . 1 1 43 43 ALA CA C 13 56.153 . . 1 . . . A 43 ALA CA . 18322 1 513 . 1 1 43 43 ALA CB C 13 17.981 . . 1 . . . A 43 ALA CB . 18322 1 514 . 1 1 43 43 ALA N N 15 121.066 . . 1 . . . A 43 ALA N . 18322 1 515 . 1 1 44 44 GLU H H 1 8.232 . . 1 . . . A 44 GLU H . 18322 1 516 . 1 1 44 44 GLU HA H 1 3.957 . . 1 . . . A 44 GLU HA . 18322 1 517 . 1 1 44 44 GLU HB2 H 1 2.154 . . 1 . . . A 44 GLU HB2 . 18322 1 518 . 1 1 44 44 GLU HB3 H 1 2.083 . . 1 . . . A 44 GLU HB3 . 18322 1 519 . 1 1 44 44 GLU HG2 H 1 2.449 . . 2 . . . A 44 GLU HG2 . 18322 1 520 . 1 1 44 44 GLU HG3 H 1 2.268 . . 2 . . . A 44 GLU HG3 . 18322 1 521 . 1 1 44 44 GLU C C 13 179.671 . . 1 . . . A 44 GLU C . 18322 1 522 . 1 1 44 44 GLU CA C 13 58.957 . . 1 . . . A 44 GLU CA . 18322 1 523 . 1 1 44 44 GLU CB C 13 29.128 . . 1 . . . A 44 GLU CB . 18322 1 524 . 1 1 44 44 GLU CG C 13 36.520 . . 1 . . . A 44 GLU CG . 18322 1 525 . 1 1 44 44 GLU N N 15 117.302 . . 1 . . . A 44 GLU N . 18322 1 526 . 1 1 45 45 PHE H H 1 8.084 . . 1 . . . A 45 PHE H . 18322 1 527 . 1 1 45 45 PHE HA H 1 4.232 . . 1 . . . A 45 PHE HA . 18322 1 528 . 1 1 45 45 PHE HB2 H 1 3.254 . . 1 . . . A 45 PHE HB2 . 18322 1 529 . 1 1 45 45 PHE HB3 H 1 3.010 . . 1 . . . A 45 PHE HB3 . 18322 1 530 . 1 1 45 45 PHE HD1 H 1 6.748 . . 3 . . . A 45 PHE HD1 . 18322 1 531 . 1 1 45 45 PHE HD2 H 1 6.748 . . 3 . . . A 45 PHE HD2 . 18322 1 532 . 1 1 45 45 PHE HE1 H 1 7.006 . . 3 . . . A 45 PHE HE1 . 18322 1 533 . 1 1 45 45 PHE HE2 H 1 7.006 . . 3 . . . A 45 PHE HE2 . 18322 1 534 . 1 1 45 45 PHE HZ H 1 7.069 . . 1 . . . A 45 PHE HZ . 18322 1 535 . 1 1 45 45 PHE C C 13 178.049 . . 1 . . . A 45 PHE C . 18322 1 536 . 1 1 45 45 PHE CA C 13 61.160 . . 1 . . . A 45 PHE CA . 18322 1 537 . 1 1 45 45 PHE CB C 13 38.182 . . 1 . . . A 45 PHE CB . 18322 1 538 . 1 1 45 45 PHE CD1 C 13 131.630 . . 3 . . . A 45 PHE CD1 . 18322 1 539 . 1 1 45 45 PHE CD2 C 13 131.630 . . 3 . . . A 45 PHE CD2 . 18322 1 540 . 1 1 45 45 PHE CE1 C 13 130.910 . . 3 . . . A 45 PHE CE1 . 18322 1 541 . 1 1 45 45 PHE CE2 C 13 130.910 . . 3 . . . A 45 PHE CE2 . 18322 1 542 . 1 1 45 45 PHE CZ C 13 129.600 . . 1 . . . A 45 PHE CZ . 18322 1 543 . 1 1 45 45 PHE N N 15 122.365 . . 1 . . . A 45 PHE N . 18322 1 544 . 1 1 46 46 VAL H H 1 8.324 . . 1 . . . A 46 VAL H . 18322 1 545 . 1 1 46 46 VAL HA H 1 2.938 . . 1 . . . A 46 VAL HA . 18322 1 546 . 1 1 46 46 VAL HB H 1 1.960 . . 1 . . . A 46 VAL HB . 18322 1 547 . 1 1 46 46 VAL HG11 H 1 0.763 . . 2 . . . A 46 VAL HG11 . 18322 1 548 . 1 1 46 46 VAL HG12 H 1 0.763 . . 2 . . . A 46 VAL HG12 . 18322 1 549 . 1 1 46 46 VAL HG13 H 1 0.763 . . 2 . . . A 46 VAL HG13 . 18322 1 550 . 1 1 46 46 VAL HG21 H 1 0.798 . . 2 . . . A 46 VAL HG21 . 18322 1 551 . 1 1 46 46 VAL HG22 H 1 0.798 . . 2 . . . A 46 VAL HG22 . 18322 1 552 . 1 1 46 46 VAL HG23 H 1 0.798 . . 2 . . . A 46 VAL HG23 . 18322 1 553 . 1 1 46 46 VAL C C 13 178.854 . . 1 . . . A 46 VAL C . 18322 1 554 . 1 1 46 46 VAL CA C 13 67.122 . . 1 . . . A 46 VAL CA . 18322 1 555 . 1 1 46 46 VAL CB C 13 31.127 . . 1 . . . A 46 VAL CB . 18322 1 556 . 1 1 46 46 VAL CG1 C 13 25.140 . . 1 . . . A 46 VAL CG1 . 18322 1 557 . 1 1 46 46 VAL CG2 C 13 22.730 . . 1 . . . A 46 VAL CG2 . 18322 1 558 . 1 1 46 46 VAL N N 15 120.108 . . 1 . . . A 46 VAL N . 18322 1 559 . 1 1 47 47 GLY H H 1 8.135 . . 1 . . . A 47 GLY H . 18322 1 560 . 1 1 47 47 GLY HA2 H 1 3.841 . . 1 . . . A 47 GLY HA2 . 18322 1 561 . 1 1 47 47 GLY HA3 H 1 3.629 . . 1 . . . A 47 GLY HA3 . 18322 1 562 . 1 1 47 47 GLY C C 13 176.669 . . 1 . . . A 47 GLY C . 18322 1 563 . 1 1 47 47 GLY CA C 13 46.679 . . 1 . . . A 47 GLY CA . 18322 1 564 . 1 1 47 47 GLY N N 15 106.139 . . 1 . . . A 47 GLY N . 18322 1 565 . 1 1 48 48 SER H H 1 8.007 . . 1 . . . A 48 SER H . 18322 1 566 . 1 1 48 48 SER HA H 1 4.197 . . 1 . . . A 48 SER HA . 18322 1 567 . 1 1 48 48 SER HB2 H 1 3.968 . . 1 . . . A 48 SER HB2 . 18322 1 568 . 1 1 48 48 SER HB3 H 1 3.912 . . 1 . . . A 48 SER HB3 . 18322 1 569 . 1 1 48 48 SER C C 13 176.535 . . 1 . . . A 48 SER C . 18322 1 570 . 1 1 48 48 SER CA C 13 61.406 . . 1 . . . A 48 SER CA . 18322 1 571 . 1 1 48 48 SER CB C 13 62.702 . . 1 . . . A 48 SER CB . 18322 1 572 . 1 1 48 48 SER N N 15 118.815 . . 1 . . . A 48 SER N . 18322 1 573 . 1 1 49 49 VAL H H 1 7.032 . . 1 . . . A 49 VAL H . 18322 1 574 . 1 1 49 49 VAL HA H 1 4.318 . . 1 . . . A 49 VAL HA . 18322 1 575 . 1 1 49 49 VAL HB H 1 2.120 . . 1 . . . A 49 VAL HB . 18322 1 576 . 1 1 49 49 VAL HG11 H 1 0.458 . . 2 . . . A 49 VAL HG11 . 18322 1 577 . 1 1 49 49 VAL HG12 H 1 0.458 . . 2 . . . A 49 VAL HG12 . 18322 1 578 . 1 1 49 49 VAL HG13 H 1 0.458 . . 2 . . . A 49 VAL HG13 . 18322 1 579 . 1 1 49 49 VAL HG21 H 1 0.520 . . 2 . . . A 49 VAL HG21 . 18322 1 580 . 1 1 49 49 VAL HG22 H 1 0.520 . . 2 . . . A 49 VAL HG22 . 18322 1 581 . 1 1 49 49 VAL HG23 H 1 0.520 . . 2 . . . A 49 VAL HG23 . 18322 1 582 . 1 1 49 49 VAL C C 13 175.840 . . 1 . . . A 49 VAL C . 18322 1 583 . 1 1 49 49 VAL CA C 13 62.180 . . 1 . . . A 49 VAL CA . 18322 1 584 . 1 1 49 49 VAL CB C 13 31.266 . . 1 . . . A 49 VAL CB . 18322 1 585 . 1 1 49 49 VAL CG1 C 13 19.150 . . 1 . . . A 49 VAL CG1 . 18322 1 586 . 1 1 49 49 VAL CG2 C 13 21.580 . . 1 . . . A 49 VAL CG2 . 18322 1 587 . 1 1 49 49 VAL N N 15 115.282 . . 1 . . . A 49 VAL N . 18322 1 588 . 1 1 50 50 ASN H H 1 7.365 . . 1 . . . A 50 ASN H . 18322 1 589 . 1 1 50 50 ASN HA H 1 5.109 . . 1 . . . A 50 ASN HA . 18322 1 590 . 1 1 50 50 ASN HB2 H 1 3.235 . . 1 . . . A 50 ASN HB2 . 18322 1 591 . 1 1 50 50 ASN HB3 H 1 3.085 . . 1 . . . A 50 ASN HB3 . 18322 1 592 . 1 1 50 50 ASN HD21 H 1 7.248 . . 1 . . . A 50 ASN HD21 . 18322 1 593 . 1 1 50 50 ASN HD22 H 1 6.701 . . 1 . . . A 50 ASN HD22 . 18322 1 594 . 1 1 50 50 ASN C C 13 176.413 . . 1 . . . A 50 ASN C . 18322 1 595 . 1 1 50 50 ASN CA C 13 53.474 . . 1 . . . A 50 ASN CA . 18322 1 596 . 1 1 50 50 ASN CB C 13 40.662 . . 1 . . . A 50 ASN CB . 18322 1 597 . 1 1 50 50 ASN N N 15 119.756 . . 1 . . . A 50 ASN N . 18322 1 598 . 1 1 50 50 ASN ND2 N 15 117.338 . . 1 . . . A 50 ASN ND2 . 18322 1 599 . 1 1 51 51 GLY H H 1 8.534 . . 1 . . . A 51 GLY H . 18322 1 600 . 1 1 51 51 GLY HA2 H 1 3.876 . . 1 . . . A 51 GLY HA2 . 18322 1 601 . 1 1 51 51 GLY HA3 H 1 3.876 . . 1 . . . A 51 GLY HA3 . 18322 1 602 . 1 1 51 51 GLY C C 13 174.958 . . 1 . . . A 51 GLY C . 18322 1 603 . 1 1 51 51 GLY CA C 13 47.509 . . 1 . . . A 51 GLY CA . 18322 1 604 . 1 1 51 51 GLY N N 15 110.461 . . 1 . . . A 51 GLY N . 18322 1 605 . 1 1 52 52 GLY H H 1 8.819 . . 1 . . . A 52 GLY H . 18322 1 606 . 1 1 52 52 GLY HA2 H 1 4.300 . . 1 . . . A 52 GLY HA2 . 18322 1 607 . 1 1 52 52 GLY HA3 H 1 3.395 . . 1 . . . A 52 GLY HA3 . 18322 1 608 . 1 1 52 52 GLY C C 13 174.101 . . 1 . . . A 52 GLY C . 18322 1 609 . 1 1 52 52 GLY CA C 13 44.416 . . 1 . . . A 52 GLY CA . 18322 1 610 . 1 1 52 52 GLY N N 15 106.648 . . 1 . . . A 52 GLY N . 18322 1 611 . 1 1 53 53 ASN H H 1 7.337 . . 1 . . . A 53 ASN H . 18322 1 612 . 1 1 53 53 ASN HA H 1 4.730 . . 1 . . . A 53 ASN HA . 18322 1 613 . 1 1 53 53 ASN HB2 H 1 2.763 . . 1 . . . A 53 ASN HB2 . 18322 1 614 . 1 1 53 53 ASN HB3 H 1 2.610 . . 1 . . . A 53 ASN HB3 . 18322 1 615 . 1 1 53 53 ASN HD21 H 1 7.576 . . 1 . . . A 53 ASN HD21 . 18322 1 616 . 1 1 53 53 ASN HD22 H 1 7.003 . . 1 . . . A 53 ASN HD22 . 18322 1 617 . 1 1 53 53 ASN C C 13 174.758 . . 1 . . . A 53 ASN C . 18322 1 618 . 1 1 53 53 ASN CA C 13 52.637 . . 1 . . . A 53 ASN CA . 18322 1 619 . 1 1 53 53 ASN CB C 13 40.147 . . 1 . . . A 53 ASN CB . 18322 1 620 . 1 1 53 53 ASN N N 15 119.237 . . 1 . . . A 53 ASN N . 18322 1 621 . 1 1 53 53 ASN ND2 N 15 114.982 . . 1 . . . A 53 ASN ND2 . 18322 1 622 . 1 1 54 54 ARG H H 1 8.773 . . 1 . . . A 54 ARG H . 18322 1 623 . 1 1 54 54 ARG HA H 1 4.113 . . 1 . . . A 54 ARG HA . 18322 1 624 . 1 1 54 54 ARG HB2 H 1 1.726 . . 1 . . . A 54 ARG HB2 . 18322 1 625 . 1 1 54 54 ARG HB3 H 1 1.648 . . 1 . . . A 54 ARG HB3 . 18322 1 626 . 1 1 54 54 ARG HG2 H 1 1.874 . . 2 . . . A 54 ARG HG2 . 18322 1 627 . 1 1 54 54 ARG HG3 H 1 1.874 . . 2 . . . A 54 ARG HG3 . 18322 1 628 . 1 1 54 54 ARG HD2 H 1 3.080 . . 2 . . . A 54 ARG HD2 . 18322 1 629 . 1 1 54 54 ARG HD3 H 1 3.080 . . 2 . . . A 54 ARG HD3 . 18322 1 630 . 1 1 54 54 ARG C C 13 174.761 . . 1 . . . A 54 ARG C . 18322 1 631 . 1 1 54 54 ARG CA C 13 55.176 . . 1 . . . A 54 ARG CA . 18322 1 632 . 1 1 54 54 ARG CB C 13 27.519 . . 1 . . . A 54 ARG CB . 18322 1 633 . 1 1 54 54 ARG CG C 13 28.000 . . 1 . . . A 54 ARG CG . 18322 1 634 . 1 1 54 54 ARG CD C 13 43.930 . . 1 . . . A 54 ARG CD . 18322 1 635 . 1 1 54 54 ARG N N 15 124.880 . . 1 . . . A 54 ARG N . 18322 1 636 . 1 1 55 55 THR H H 1 6.979 . . 1 . . . A 55 THR H . 18322 1 637 . 1 1 55 55 THR HA H 1 4.000 . . 1 . . . A 55 THR HA . 18322 1 638 . 1 1 55 55 THR HB H 1 3.486 . . 1 . . . A 55 THR HB . 18322 1 639 . 1 1 55 55 THR HG21 H 1 0.936 . . 1 . . . A 55 THR HG21 . 18322 1 640 . 1 1 55 55 THR HG22 H 1 0.936 . . 1 . . . A 55 THR HG22 . 18322 1 641 . 1 1 55 55 THR HG23 H 1 0.936 . . 1 . . . A 55 THR HG23 . 18322 1 642 . 1 1 55 55 THR C C 13 172.262 . . 1 . . . A 55 THR C . 18322 1 643 . 1 1 55 55 THR CA C 13 63.305 . . 1 . . . A 55 THR CA . 18322 1 644 . 1 1 55 55 THR CB C 13 69.241 . . 1 . . . A 55 THR CB . 18322 1 645 . 1 1 55 55 THR CG2 C 13 22.740 . . 1 . . . A 55 THR CG2 . 18322 1 646 . 1 1 55 55 THR N N 15 117.868 . . 1 . . . A 55 THR N . 18322 1 647 . 1 1 56 56 VAL H H 1 8.042 . . 1 . . . A 56 VAL H . 18322 1 648 . 1 1 56 56 VAL HA H 1 4.650 . . 1 . . . A 56 VAL HA . 18322 1 649 . 1 1 56 56 VAL HB H 1 2.250 . . 1 . . . A 56 VAL HB . 18322 1 650 . 1 1 56 56 VAL HG11 H 1 0.730 . . 2 . . . A 56 VAL HG11 . 18322 1 651 . 1 1 56 56 VAL HG12 H 1 0.730 . . 2 . . . A 56 VAL HG12 . 18322 1 652 . 1 1 56 56 VAL HG13 H 1 0.730 . . 2 . . . A 56 VAL HG13 . 18322 1 653 . 1 1 56 56 VAL HG21 H 1 0.880 . . 2 . . . A 56 VAL HG21 . 18322 1 654 . 1 1 56 56 VAL HG22 H 1 0.880 . . 2 . . . A 56 VAL HG22 . 18322 1 655 . 1 1 56 56 VAL HG23 H 1 0.880 . . 2 . . . A 56 VAL HG23 . 18322 1 656 . 1 1 56 56 VAL C C 13 172.088 . . 1 . . . A 56 VAL C . 18322 1 657 . 1 1 56 56 VAL CA C 13 57.163 . . 1 . . . A 56 VAL CA . 18322 1 658 . 1 1 56 56 VAL CB C 13 33.933 . . 1 . . . A 56 VAL CB . 18322 1 659 . 1 1 56 56 VAL CG1 C 13 22.500 . . 1 . . . A 56 VAL CG1 . 18322 1 660 . 1 1 56 56 VAL CG2 C 13 17.670 . . 1 . . . A 56 VAL CG2 . 18322 1 661 . 1 1 56 56 VAL N N 15 117.571 . . 1 . . . A 56 VAL N . 18322 1 662 . 1 1 57 57 PRO HA H 1 5.318 . . 1 . . . A 57 PRO HA . 18322 1 663 . 1 1 57 57 PRO HB2 H 1 2.617 . . 1 . . . A 57 PRO HB2 . 18322 1 664 . 1 1 57 57 PRO HB3 H 1 1.601 . . 1 . . . A 57 PRO HB3 . 18322 1 665 . 1 1 57 57 PRO HG2 H 1 2.095 . . 2 . . . A 57 PRO HG2 . 18322 1 666 . 1 1 57 57 PRO HG3 H 1 1.915 . . 2 . . . A 57 PRO HG3 . 18322 1 667 . 1 1 57 57 PRO HD2 H 1 3.767 . . 2 . . . A 57 PRO HD2 . 18322 1 668 . 1 1 57 57 PRO HD3 H 1 3.420 . . 2 . . . A 57 PRO HD3 . 18322 1 669 . 1 1 57 57 PRO C C 13 177.528 . . 1 . . . A 57 PRO C . 18322 1 670 . 1 1 57 57 PRO CA C 13 61.782 . . 1 . . . A 57 PRO CA . 18322 1 671 . 1 1 57 57 PRO CB C 13 34.335 . . 1 . . . A 57 PRO CB . 18322 1 672 . 1 1 57 57 PRO CG C 13 25.850 . . 1 . . . A 57 PRO CG . 18322 1 673 . 1 1 57 57 PRO CD C 13 50.160 . . 1 . . . A 57 PRO CD . 18322 1 674 . 1 1 58 58 THR H H 1 8.288 . . 1 . . . A 58 THR H . 18322 1 675 . 1 1 58 58 THR HA H 1 5.042 . . 1 . . . A 58 THR HA . 18322 1 676 . 1 1 58 58 THR HB H 1 3.980 . . 1 . . . A 58 THR HB . 18322 1 677 . 1 1 58 58 THR HG21 H 1 1.096 . . 1 . . . A 58 THR HG21 . 18322 1 678 . 1 1 58 58 THR HG22 H 1 1.096 . . 1 . . . A 58 THR HG22 . 18322 1 679 . 1 1 58 58 THR HG23 H 1 1.096 . . 1 . . . A 58 THR HG23 . 18322 1 680 . 1 1 58 58 THR C C 13 172.430 . . 1 . . . A 58 THR C . 18322 1 681 . 1 1 58 58 THR CA C 13 63.593 . . 1 . . . A 58 THR CA . 18322 1 682 . 1 1 58 58 THR CB C 13 71.690 . . 1 . . . A 58 THR CB . 18322 1 683 . 1 1 58 58 THR CG2 C 13 20.820 . . 1 . . . A 58 THR CG2 . 18322 1 684 . 1 1 58 58 THR N N 15 121.164 . . 1 . . . A 58 THR N . 18322 1 685 . 1 1 59 59 VAL H H 1 9.379 . . 1 . . . A 59 VAL H . 18322 1 686 . 1 1 59 59 VAL HA H 1 4.928 . . 1 . . . A 59 VAL HA . 18322 1 687 . 1 1 59 59 VAL HB H 1 1.835 . . 1 . . . A 59 VAL HB . 18322 1 688 . 1 1 59 59 VAL HG11 H 1 0.284 . . 2 . . . A 59 VAL HG11 . 18322 1 689 . 1 1 59 59 VAL HG12 H 1 0.284 . . 2 . . . A 59 VAL HG12 . 18322 1 690 . 1 1 59 59 VAL HG13 H 1 0.284 . . 2 . . . A 59 VAL HG13 . 18322 1 691 . 1 1 59 59 VAL HG21 H 1 0.700 . . 2 . . . A 59 VAL HG21 . 18322 1 692 . 1 1 59 59 VAL HG22 H 1 0.700 . . 2 . . . A 59 VAL HG22 . 18322 1 693 . 1 1 59 59 VAL HG23 H 1 0.700 . . 2 . . . A 59 VAL HG23 . 18322 1 694 . 1 1 59 59 VAL C C 13 173.138 . . 1 . . . A 59 VAL C . 18322 1 695 . 1 1 59 59 VAL CA C 13 60.487 . . 1 . . . A 59 VAL CA . 18322 1 696 . 1 1 59 59 VAL CB C 13 33.914 . . 1 . . . A 59 VAL CB . 18322 1 697 . 1 1 59 59 VAL CG1 C 13 23.080 . . 1 . . . A 59 VAL CG1 . 18322 1 698 . 1 1 59 59 VAL CG2 C 13 22.440 . . 1 . . . A 59 VAL CG2 . 18322 1 699 . 1 1 59 59 VAL N N 15 127.110 . . 1 . . . A 59 VAL N . 18322 1 700 . 1 1 60 60 LYS H H 1 9.285 . . 1 . . . A 60 LYS H . 18322 1 701 . 1 1 60 60 LYS HA H 1 5.361 . . 1 . . . A 60 LYS HA . 18322 1 702 . 1 1 60 60 LYS HB2 H 1 1.898 . . 1 . . . A 60 LYS HB2 . 18322 1 703 . 1 1 60 60 LYS HB3 H 1 1.648 . . 1 . . . A 60 LYS HB3 . 18322 1 704 . 1 1 60 60 LYS HG2 H 1 1.660 . . 2 . . . A 60 LYS HG2 . 18322 1 705 . 1 1 60 60 LYS HG3 H 1 1.550 . . 2 . . . A 60 LYS HG3 . 18322 1 706 . 1 1 60 60 LYS HD2 H 1 1.535 . . 2 . . . A 60 LYS HD2 . 18322 1 707 . 1 1 60 60 LYS HD3 H 1 1.535 . . 2 . . . A 60 LYS HD3 . 18322 1 708 . 1 1 60 60 LYS HE2 H 1 2.907 . . 2 . . . A 60 LYS HE2 . 18322 1 709 . 1 1 60 60 LYS HE3 H 1 2.823 . . 2 . . . A 60 LYS HE3 . 18322 1 710 . 1 1 60 60 LYS C C 13 175.442 . . 1 . . . A 60 LYS C . 18322 1 711 . 1 1 60 60 LYS CA C 13 54.646 . . 1 . . . A 60 LYS CA . 18322 1 712 . 1 1 60 60 LYS CB C 13 37.493 . . 1 . . . A 60 LYS CB . 18322 1 713 . 1 1 60 60 LYS CG C 13 24.440 . . 1 . . . A 60 LYS CG . 18322 1 714 . 1 1 60 60 LYS CD C 13 29.300 . . 1 . . . A 60 LYS CD . 18322 1 715 . 1 1 60 60 LYS CE C 13 41.540 . . 1 . . . A 60 LYS CE . 18322 1 716 . 1 1 60 60 LYS N N 15 126.644 . . 1 . . . A 60 LYS N . 18322 1 717 . 1 1 61 61 PHE H H 1 9.044 . . 1 . . . A 61 PHE H . 18322 1 718 . 1 1 61 61 PHE HA H 1 4.732 . . 1 . . . A 61 PHE HA . 18322 1 719 . 1 1 61 61 PHE HB2 H 1 3.321 . . 1 . . . A 61 PHE HB2 . 18322 1 720 . 1 1 61 61 PHE HB3 H 1 3.111 . . 1 . . . A 61 PHE HB3 . 18322 1 721 . 1 1 61 61 PHE HD1 H 1 7.412 . . 3 . . . A 61 PHE HD1 . 18322 1 722 . 1 1 61 61 PHE HD2 H 1 7.412 . . 3 . . . A 61 PHE HD2 . 18322 1 723 . 1 1 61 61 PHE HE1 H 1 7.138 . . 3 . . . A 61 PHE HE1 . 18322 1 724 . 1 1 61 61 PHE HE2 H 1 7.138 . . 3 . . . A 61 PHE HE2 . 18322 1 725 . 1 1 61 61 PHE HZ H 1 7.014 . . 1 . . . A 61 PHE HZ . 18322 1 726 . 1 1 61 61 PHE C C 13 178.125 . . 1 . . . A 61 PHE C . 18322 1 727 . 1 1 61 61 PHE CA C 13 58.056 . . 1 . . . A 61 PHE CA . 18322 1 728 . 1 1 61 61 PHE CB C 13 41.219 . . 1 . . . A 61 PHE CB . 18322 1 729 . 1 1 61 61 PHE CD1 C 13 132.940 . . 3 . . . A 61 PHE CD1 . 18322 1 730 . 1 1 61 61 PHE CD2 C 13 132.940 . . 3 . . . A 61 PHE CD2 . 18322 1 731 . 1 1 61 61 PHE CE1 C 13 130.710 . . 3 . . . A 61 PHE CE1 . 18322 1 732 . 1 1 61 61 PHE CE2 C 13 130.710 . . 3 . . . A 61 PHE CE2 . 18322 1 733 . 1 1 61 61 PHE CZ C 13 128.420 . . 1 . . . A 61 PHE CZ . 18322 1 734 . 1 1 61 61 PHE N N 15 126.808 . . 1 . . . A 61 PHE N . 18322 1 735 . 1 1 62 62 ALA H H 1 9.788 . . 1 . . . A 62 ALA H . 18322 1 736 . 1 1 62 62 ALA HA H 1 4.147 . . 1 . . . A 62 ALA HA . 18322 1 737 . 1 1 62 62 ALA HB1 H 1 1.545 . . 1 . . . A 62 ALA HB1 . 18322 1 738 . 1 1 62 62 ALA HB2 H 1 1.545 . . 1 . . . A 62 ALA HB2 . 18322 1 739 . 1 1 62 62 ALA HB3 H 1 1.545 . . 1 . . . A 62 ALA HB3 . 18322 1 740 . 1 1 62 62 ALA C C 13 177.730 . . 1 . . . A 62 ALA C . 18322 1 741 . 1 1 62 62 ALA CA C 13 54.923 . . 1 . . . A 62 ALA CA . 18322 1 742 . 1 1 62 62 ALA CB C 13 19.249 . . 1 . . . A 62 ALA CB . 18322 1 743 . 1 1 62 62 ALA N N 15 123.447 . . 1 . . . A 62 ALA N . 18322 1 744 . 1 1 63 63 ASP H H 1 7.663 . . 1 . . . A 63 ASP H . 18322 1 745 . 1 1 63 63 ASP HA H 1 4.580 . . 1 . . . A 63 ASP HA . 18322 1 746 . 1 1 63 63 ASP HB2 H 1 3.128 . . 1 . . . A 63 ASP HB2 . 18322 1 747 . 1 1 63 63 ASP HB3 H 1 2.544 . . 1 . . . A 63 ASP HB3 . 18322 1 748 . 1 1 63 63 ASP C C 13 177.033 . . 1 . . . A 63 ASP C . 18322 1 749 . 1 1 63 63 ASP CA C 13 53.116 . . 1 . . . A 63 ASP CA . 18322 1 750 . 1 1 63 63 ASP CB C 13 40.037 . . 1 . . . A 63 ASP CB . 18322 1 751 . 1 1 63 63 ASP N N 15 113.469 . . 1 . . . A 63 ASP N . 18322 1 752 . 1 1 64 64 GLY H H 1 8.362 . . 1 . . . A 64 GLY H . 18322 1 753 . 1 1 64 64 GLY HA2 H 1 4.425 . . 1 . . . A 64 GLY HA2 . 18322 1 754 . 1 1 64 64 GLY HA3 H 1 3.568 . . 1 . . . A 64 GLY HA3 . 18322 1 755 . 1 1 64 64 GLY C C 13 173.663 . . 1 . . . A 64 GLY C . 18322 1 756 . 1 1 64 64 GLY CA C 13 45.324 . . 1 . . . A 64 GLY CA . 18322 1 757 . 1 1 64 64 GLY N N 15 109.384 . . 1 . . . A 64 GLY N . 18322 1 758 . 1 1 65 65 SER H H 1 8.283 . . 1 . . . A 65 SER H . 18322 1 759 . 1 1 65 65 SER HA H 1 4.562 . . 1 . . . A 65 SER HA . 18322 1 760 . 1 1 65 65 SER HB2 H 1 4.130 . . 1 . . . A 65 SER HB2 . 18322 1 761 . 1 1 65 65 SER HB3 H 1 3.938 . . 1 . . . A 65 SER HB3 . 18322 1 762 . 1 1 65 65 SER C C 13 173.569 . . 1 . . . A 65 SER C . 18322 1 763 . 1 1 65 65 SER CA C 13 58.949 . . 1 . . . A 65 SER CA . 18322 1 764 . 1 1 65 65 SER CB C 13 64.638 . . 1 . . . A 65 SER CB . 18322 1 765 . 1 1 65 65 SER N N 15 117.882 . . 1 . . . A 65 SER N . 18322 1 766 . 1 1 66 66 THR H H 1 8.226 . . 1 . . . A 66 THR H . 18322 1 767 . 1 1 66 66 THR HA H 1 6.288 . . 1 . . . A 66 THR HA . 18322 1 768 . 1 1 66 66 THR HB H 1 4.142 . . 1 . . . A 66 THR HB . 18322 1 769 . 1 1 66 66 THR HG21 H 1 1.276 . . 1 . . . A 66 THR HG21 . 18322 1 770 . 1 1 66 66 THR HG22 H 1 1.276 . . 1 . . . A 66 THR HG22 . 18322 1 771 . 1 1 66 66 THR HG23 H 1 1.276 . . 1 . . . A 66 THR HG23 . 18322 1 772 . 1 1 66 66 THR C C 13 175.785 . . 1 . . . A 66 THR C . 18322 1 773 . 1 1 66 66 THR CA C 13 59.427 . . 1 . . . A 66 THR CA . 18322 1 774 . 1 1 66 66 THR CB C 13 72.988 . . 1 . . . A 66 THR CB . 18322 1 775 . 1 1 66 66 THR CG2 C 13 21.350 . . 1 . . . A 66 THR CG2 . 18322 1 776 . 1 1 66 66 THR N N 15 106.791 . . 1 . . . A 66 THR N . 18322 1 777 . 1 1 67 67 LEU H H 1 8.773 . . 1 . . . A 67 LEU H . 18322 1 778 . 1 1 67 67 LEU HA H 1 4.849 . . 1 . . . A 67 LEU HA . 18322 1 779 . 1 1 67 67 LEU HB2 H 1 1.551 . . 1 . . . A 67 LEU HB2 . 18322 1 780 . 1 1 67 67 LEU HB3 H 1 1.551 . . 1 . . . A 67 LEU HB3 . 18322 1 781 . 1 1 67 67 LEU HG H 1 1.762 . . 1 . . . A 67 LEU HG . 18322 1 782 . 1 1 67 67 LEU HD11 H 1 1.124 . . 2 . . . A 67 LEU HD11 . 18322 1 783 . 1 1 67 67 LEU HD12 H 1 1.124 . . 2 . . . A 67 LEU HD12 . 18322 1 784 . 1 1 67 67 LEU HD13 H 1 1.124 . . 2 . . . A 67 LEU HD13 . 18322 1 785 . 1 1 67 67 LEU HD21 H 1 0.895 . . 2 . . . A 67 LEU HD21 . 18322 1 786 . 1 1 67 67 LEU HD22 H 1 0.895 . . 2 . . . A 67 LEU HD22 . 18322 1 787 . 1 1 67 67 LEU HD23 H 1 0.895 . . 2 . . . A 67 LEU HD23 . 18322 1 788 . 1 1 67 67 LEU C C 13 175.963 . . 1 . . . A 67 LEU C . 18322 1 789 . 1 1 67 67 LEU CA C 13 54.683 . . 1 . . . A 67 LEU CA . 18322 1 790 . 1 1 67 67 LEU CB C 13 47.334 . . 1 . . . A 67 LEU CB . 18322 1 791 . 1 1 67 67 LEU CG C 13 27.200 . . 1 . . . A 67 LEU CG . 18322 1 792 . 1 1 67 67 LEU CD1 C 13 22.710 . . 1 . . . A 67 LEU CD1 . 18322 1 793 . 1 1 67 67 LEU CD2 C 13 23.590 . . 1 . . . A 67 LEU CD2 . 18322 1 794 . 1 1 67 67 LEU N N 15 117.788 . . 1 . . . A 67 LEU N . 18322 1 795 . 1 1 68 68 THR H H 1 9.171 . . 1 . . . A 68 THR H . 18322 1 796 . 1 1 68 68 THR HA H 1 4.564 . . 1 . . . A 68 THR HA . 18322 1 797 . 1 1 68 68 THR HB H 1 3.947 . . 1 . . . A 68 THR HB . 18322 1 798 . 1 1 68 68 THR HG21 H 1 1.033 . . 1 . . . A 68 THR HG21 . 18322 1 799 . 1 1 68 68 THR HG22 H 1 1.033 . . 1 . . . A 68 THR HG22 . 18322 1 800 . 1 1 68 68 THR HG23 H 1 1.033 . . 1 . . . A 68 THR HG23 . 18322 1 801 . 1 1 68 68 THR C C 13 173.237 . . 1 . . . A 68 THR C . 18322 1 802 . 1 1 68 68 THR CA C 13 62.985 . . 1 . . . A 68 THR CA . 18322 1 803 . 1 1 68 68 THR CB C 13 69.060 . . 1 . . . A 68 THR CB . 18322 1 804 . 1 1 68 68 THR CG2 C 13 22.270 . . 1 . . . A 68 THR CG2 . 18322 1 805 . 1 1 68 68 THR N N 15 120.907 . . 1 . . . A 68 THR N . 18322 1 806 . 1 1 69 69 ASN H H 1 9.288 . . 1 . . . A 69 ASN H . 18322 1 807 . 1 1 69 69 ASN HA H 1 4.260 . . 1 . . . A 69 ASN HA . 18322 1 808 . 1 1 69 69 ASN HB2 H 1 3.080 . . 2 . . . A 69 ASN HB2 . 18322 1 809 . 1 1 69 69 ASN HB3 H 1 1.960 . . 2 . . . A 69 ASN HB3 . 18322 1 810 . 1 1 69 69 ASN HD21 H 1 7.144 . . 1 . . . A 69 ASN HD21 . 18322 1 811 . 1 1 69 69 ASN HD22 H 1 5.355 . . 1 . . . A 69 ASN HD22 . 18322 1 812 . 1 1 69 69 ASN C C 13 173.221 . . 1 . . . A 69 ASN C . 18322 1 813 . 1 1 69 69 ASN CA C 13 53.660 . . 1 . . . A 69 ASN CA . 18322 1 814 . 1 1 69 69 ASN CB C 13 38.251 . . 1 . . . A 69 ASN CB . 18322 1 815 . 1 1 69 69 ASN N N 15 123.642 . . 1 . . . A 69 ASN N . 18322 1 816 . 1 1 69 69 ASN ND2 N 15 107.366 . . 1 . . . A 69 ASN ND2 . 18322 1 817 . 1 1 70 70 PRO HA H 1 4.814 . . 1 . . . A 70 PRO HA . 18322 1 818 . 1 1 70 70 PRO HB2 H 1 2.240 . . 1 . . . A 70 PRO HB2 . 18322 1 819 . 1 1 70 70 PRO HB3 H 1 2.086 . . 1 . . . A 70 PRO HB3 . 18322 1 820 . 1 1 70 70 PRO HG2 H 1 1.804 . . 2 . . . A 70 PRO HG2 . 18322 1 821 . 1 1 70 70 PRO HG3 H 1 1.547 . . 2 . . . A 70 PRO HG3 . 18322 1 822 . 1 1 70 70 PRO HD2 H 1 3.267 . . 2 . . . A 70 PRO HD2 . 18322 1 823 . 1 1 70 70 PRO HD3 H 1 3.212 . . 2 . . . A 70 PRO HD3 . 18322 1 824 . 1 1 70 70 PRO C C 13 176.468 . . 1 . . . A 70 PRO C . 18322 1 825 . 1 1 70 70 PRO CA C 13 62.766 . . 1 . . . A 70 PRO CA . 18322 1 826 . 1 1 70 70 PRO CB C 13 32.409 . . 1 . . . A 70 PRO CB . 18322 1 827 . 1 1 70 70 PRO CG C 13 27.380 . . 1 . . . A 70 PRO CG . 18322 1 828 . 1 1 70 70 PRO CD C 13 49.620 . . 1 . . . A 70 PRO CD . 18322 1 829 . 1 1 71 71 SER H H 1 8.746 . . 1 . . . A 71 SER H . 18322 1 830 . 1 1 71 71 SER HA H 1 4.623 . . 1 . . . A 71 SER HA . 18322 1 831 . 1 1 71 71 SER HB2 H 1 4.396 . . 1 . . . A 71 SER HB2 . 18322 1 832 . 1 1 71 71 SER HB3 H 1 4.013 . . 1 . . . A 71 SER HB3 . 18322 1 833 . 1 1 71 71 SER C C 13 176.365 . . 1 . . . A 71 SER C . 18322 1 834 . 1 1 71 71 SER CA C 13 56.490 . . 1 . . . A 71 SER CA . 18322 1 835 . 1 1 71 71 SER CB C 13 65.746 . . 1 . . . A 71 SER CB . 18322 1 836 . 1 1 71 71 SER N N 15 114.367 . . 1 . . . A 71 SER N . 18322 1 837 . 1 1 72 72 ALA H H 1 9.318 . . 1 . . . A 72 ALA H . 18322 1 838 . 1 1 72 72 ALA HA H 1 3.761 . . 1 . . . A 72 ALA HA . 18322 1 839 . 1 1 72 72 ALA HB1 H 1 1.332 . . 1 . . . A 72 ALA HB1 . 18322 1 840 . 1 1 72 72 ALA HB2 H 1 1.332 . . 1 . . . A 72 ALA HB2 . 18322 1 841 . 1 1 72 72 ALA HB3 H 1 1.332 . . 1 . . . A 72 ALA HB3 . 18322 1 842 . 1 1 72 72 ALA C C 13 179.541 . . 1 . . . A 72 ALA C . 18322 1 843 . 1 1 72 72 ALA CA C 13 55.904 . . 1 . . . A 72 ALA CA . 18322 1 844 . 1 1 72 72 ALA CB C 13 17.982 . . 1 . . . A 72 ALA CB . 18322 1 845 . 1 1 72 72 ALA N N 15 123.713 . . 1 . . . A 72 ALA N . 18322 1 846 . 1 1 73 73 ASP H H 1 8.247 . . 1 . . . A 73 ASP H . 18322 1 847 . 1 1 73 73 ASP HA H 1 4.334 . . 1 . . . A 73 ASP HA . 18322 1 848 . 1 1 73 73 ASP HB2 H 1 2.616 . . 1 . . . A 73 ASP HB2 . 18322 1 849 . 1 1 73 73 ASP HB3 H 1 2.515 . . 1 . . . A 73 ASP HB3 . 18322 1 850 . 1 1 73 73 ASP C C 13 179.269 . . 1 . . . A 73 ASP C . 18322 1 851 . 1 1 73 73 ASP CA C 13 57.578 . . 1 . . . A 73 ASP CA . 18322 1 852 . 1 1 73 73 ASP CB C 13 40.305 . . 1 . . . A 73 ASP CB . 18322 1 853 . 1 1 73 73 ASP N N 15 116.546 . . 1 . . . A 73 ASP N . 18322 1 854 . 1 1 74 74 GLU H H 1 7.879 . . 1 . . . A 74 GLU H . 18322 1 855 . 1 1 74 74 GLU HA H 1 4.015 . . 1 . . . A 74 GLU HA . 18322 1 856 . 1 1 74 74 GLU HB2 H 1 2.428 . . 1 . . . A 74 GLU HB2 . 18322 1 857 . 1 1 74 74 GLU HB3 H 1 1.923 . . 1 . . . A 74 GLU HB3 . 18322 1 858 . 1 1 74 74 GLU HG2 H 1 2.331 . . 2 . . . A 74 GLU HG2 . 18322 1 859 . 1 1 74 74 GLU HG3 H 1 2.271 . . 2 . . . A 74 GLU HG3 . 18322 1 860 . 1 1 74 74 GLU C C 13 180.037 . . 1 . . . A 74 GLU C . 18322 1 861 . 1 1 74 74 GLU CA C 13 59.188 . . 1 . . . A 74 GLU CA . 18322 1 862 . 1 1 74 74 GLU CB C 13 30.031 . . 1 . . . A 74 GLU CB . 18322 1 863 . 1 1 74 74 GLU CG C 13 37.480 . . 1 . . . A 74 GLU CG . 18322 1 864 . 1 1 74 74 GLU N N 15 122.270 . . 1 . . . A 74 GLU N . 18322 1 865 . 1 1 75 75 VAL H H 1 7.954 . . 1 . . . A 75 VAL H . 18322 1 866 . 1 1 75 75 VAL HA H 1 3.677 . . 1 . . . A 75 VAL HA . 18322 1 867 . 1 1 75 75 VAL HB H 1 2.355 . . 1 . . . A 75 VAL HB . 18322 1 868 . 1 1 75 75 VAL HG11 H 1 1.033 . . 2 . . . A 75 VAL HG11 . 18322 1 869 . 1 1 75 75 VAL HG12 H 1 1.033 . . 2 . . . A 75 VAL HG12 . 18322 1 870 . 1 1 75 75 VAL HG13 H 1 1.033 . . 2 . . . A 75 VAL HG13 . 18322 1 871 . 1 1 75 75 VAL HG21 H 1 1.068 . . 2 . . . A 75 VAL HG21 . 18322 1 872 . 1 1 75 75 VAL HG22 H 1 1.068 . . 2 . . . A 75 VAL HG22 . 18322 1 873 . 1 1 75 75 VAL HG23 H 1 1.068 . . 2 . . . A 75 VAL HG23 . 18322 1 874 . 1 1 75 75 VAL C C 13 177.019 . . 1 . . . A 75 VAL C . 18322 1 875 . 1 1 75 75 VAL CA C 13 67.228 . . 1 . . . A 75 VAL CA . 18322 1 876 . 1 1 75 75 VAL CB C 13 31.233 . . 1 . . . A 75 VAL CB . 18322 1 877 . 1 1 75 75 VAL CG1 C 13 22.450 . . 1 . . . A 75 VAL CG1 . 18322 1 878 . 1 1 75 75 VAL CG2 C 13 23.900 . . 1 . . . A 75 VAL CG2 . 18322 1 879 . 1 1 75 75 VAL N N 15 120.570 . . 1 . . . A 75 VAL N . 18322 1 880 . 1 1 76 76 LYS H H 1 8.363 . . 1 . . . A 76 LYS H . 18322 1 881 . 1 1 76 76 LYS HA H 1 3.836 . . 1 . . . A 76 LYS HA . 18322 1 882 . 1 1 76 76 LYS HB2 H 1 1.936 . . 1 . . . A 76 LYS HB2 . 18322 1 883 . 1 1 76 76 LYS HB3 H 1 1.816 . . 1 . . . A 76 LYS HB3 . 18322 1 884 . 1 1 76 76 LYS HG2 H 1 1.547 . . 2 . . . A 76 LYS HG2 . 18322 1 885 . 1 1 76 76 LYS HG3 H 1 1.450 . . 2 . . . A 76 LYS HG3 . 18322 1 886 . 1 1 76 76 LYS HD2 H 1 1.637 . . 2 . . . A 76 LYS HD2 . 18322 1 887 . 1 1 76 76 LYS HD3 H 1 1.637 . . 2 . . . A 76 LYS HD3 . 18322 1 888 . 1 1 76 76 LYS HE2 H 1 2.879 . . 2 . . . A 76 LYS HE2 . 18322 1 889 . 1 1 76 76 LYS HE3 H 1 2.879 . . 2 . . . A 76 LYS HE3 . 18322 1 890 . 1 1 76 76 LYS C C 13 178.149 . . 1 . . . A 76 LYS C . 18322 1 891 . 1 1 76 76 LYS CA C 13 60.418 . . 1 . . . A 76 LYS CA . 18322 1 892 . 1 1 76 76 LYS CB C 13 32.404 . . 1 . . . A 76 LYS CB . 18322 1 893 . 1 1 76 76 LYS CG C 13 25.480 . . 1 . . . A 76 LYS CG . 18322 1 894 . 1 1 76 76 LYS CD C 13 29.500 . . 1 . . . A 76 LYS CD . 18322 1 895 . 1 1 76 76 LYS CE C 13 41.780 . . 1 . . . A 76 LYS CE . 18322 1 896 . 1 1 76 76 LYS N N 15 118.912 . . 1 . . . A 76 LYS N . 18322 1 897 . 1 1 77 77 ALA H H 1 7.942 . . 1 . . . A 77 ALA H . 18322 1 898 . 1 1 77 77 ALA HA H 1 4.072 . . 1 . . . A 77 ALA HA . 18322 1 899 . 1 1 77 77 ALA HB1 H 1 1.419 . . 1 . . . A 77 ALA HB1 . 18322 1 900 . 1 1 77 77 ALA HB2 H 1 1.419 . . 1 . . . A 77 ALA HB2 . 18322 1 901 . 1 1 77 77 ALA HB3 H 1 1.419 . . 1 . . . A 77 ALA HB3 . 18322 1 902 . 1 1 77 77 ALA C C 13 180.429 . . 1 . . . A 77 ALA C . 18322 1 903 . 1 1 77 77 ALA CA C 13 54.838 . . 1 . . . A 77 ALA CA . 18322 1 904 . 1 1 77 77 ALA CB C 13 18.161 . . 1 . . . A 77 ALA CB . 18322 1 905 . 1 1 77 77 ALA N N 15 119.071 . . 1 . . . A 77 ALA N . 18322 1 906 . 1 1 78 78 LYS H H 1 7.489 . . 1 . . . A 78 LYS H . 18322 1 907 . 1 1 78 78 LYS HA H 1 3.981 . . 1 . . . A 78 LYS HA . 18322 1 908 . 1 1 78 78 LYS HB2 H 1 1.559 . . 1 . . . A 78 LYS HB2 . 18322 1 909 . 1 1 78 78 LYS HB3 H 1 1.507 . . 1 . . . A 78 LYS HB3 . 18322 1 910 . 1 1 78 78 LYS HG2 H 1 0.541 . . 2 . . . A 78 LYS HG2 . 18322 1 911 . 1 1 78 78 LYS HG3 H 1 -0.070 . . 2 . . . A 78 LYS HG3 . 18322 1 912 . 1 1 78 78 LYS HD2 H 1 1.283 . . 2 . . . A 78 LYS HD2 . 18322 1 913 . 1 1 78 78 LYS HD3 H 1 0.985 . . 2 . . . A 78 LYS HD3 . 18322 1 914 . 1 1 78 78 LYS HE2 H 1 2.359 . . 2 . . . A 78 LYS HE2 . 18322 1 915 . 1 1 78 78 LYS HE3 H 1 2.255 . . 2 . . . A 78 LYS HE3 . 18322 1 916 . 1 1 78 78 LYS C C 13 177.947 . . 1 . . . A 78 LYS C . 18322 1 917 . 1 1 78 78 LYS CA C 13 58.049 . . 1 . . . A 78 LYS CA . 18322 1 918 . 1 1 78 78 LYS CB C 13 31.330 . . 1 . . . A 78 LYS CB . 18322 1 919 . 1 1 78 78 LYS CG C 13 23.430 . . 1 . . . A 78 LYS CG . 18322 1 920 . 1 1 78 78 LYS CD C 13 27.570 . . 1 . . . A 78 LYS CD . 18322 1 921 . 1 1 78 78 LYS CE C 13 42.110 . . 1 . . . A 78 LYS CE . 18322 1 922 . 1 1 78 78 LYS N N 15 120.160 . . 1 . . . A 78 LYS N . 18322 1 923 . 1 1 79 79 LEU H H 1 8.132 . . 1 . . . A 79 LEU H . 18322 1 924 . 1 1 79 79 LEU HA H 1 4.040 . . 1 . . . A 79 LEU HA . 18322 1 925 . 1 1 79 79 LEU HB2 H 1 2.099 . . 1 . . . A 79 LEU HB2 . 18322 1 926 . 1 1 79 79 LEU HB3 H 1 1.577 . . 1 . . . A 79 LEU HB3 . 18322 1 927 . 1 1 79 79 LEU HG H 1 2.081 . . 1 . . . A 79 LEU HG . 18322 1 928 . 1 1 79 79 LEU HD11 H 1 1.117 . . 2 . . . A 79 LEU HD11 . 18322 1 929 . 1 1 79 79 LEU HD12 H 1 1.117 . . 2 . . . A 79 LEU HD12 . 18322 1 930 . 1 1 79 79 LEU HD13 H 1 1.117 . . 2 . . . A 79 LEU HD13 . 18322 1 931 . 1 1 79 79 LEU HD21 H 1 0.992 . . 2 . . . A 79 LEU HD21 . 18322 1 932 . 1 1 79 79 LEU HD22 H 1 0.992 . . 2 . . . A 79 LEU HD22 . 18322 1 933 . 1 1 79 79 LEU HD23 H 1 0.992 . . 2 . . . A 79 LEU HD23 . 18322 1 934 . 1 1 79 79 LEU C C 13 180.288 . . 1 . . . A 79 LEU C . 18322 1 935 . 1 1 79 79 LEU CA C 13 58.127 . . 1 . . . A 79 LEU CA . 18322 1 936 . 1 1 79 79 LEU CB C 13 41.742 . . 1 . . . A 79 LEU CB . 18322 1 937 . 1 1 79 79 LEU CG C 13 26.320 . . 1 . . . A 79 LEU CG . 18322 1 938 . 1 1 79 79 LEU CD1 C 13 23.880 . . 1 . . . A 79 LEU CD1 . 18322 1 939 . 1 1 79 79 LEU CD2 C 13 26.260 . . 1 . . . A 79 LEU CD2 . 18322 1 940 . 1 1 79 79 LEU N N 15 118.876 . . 1 . . . A 79 LEU N . 18322 1 941 . 1 1 80 80 VAL H H 1 7.879 . . 1 . . . A 80 VAL H . 18322 1 942 . 1 1 80 80 VAL HA H 1 3.729 . . 1 . . . A 80 VAL HA . 18322 1 943 . 1 1 80 80 VAL HB H 1 2.148 . . 1 . . . A 80 VAL HB . 18322 1 944 . 1 1 80 80 VAL HG11 H 1 0.929 . . 2 . . . A 80 VAL HG11 . 18322 1 945 . 1 1 80 80 VAL HG12 H 1 0.929 . . 2 . . . A 80 VAL HG12 . 18322 1 946 . 1 1 80 80 VAL HG13 H 1 0.929 . . 2 . . . A 80 VAL HG13 . 18322 1 947 . 1 1 80 80 VAL HG21 H 1 1.061 . . 2 . . . A 80 VAL HG21 . 18322 1 948 . 1 1 80 80 VAL HG22 H 1 1.061 . . 2 . . . A 80 VAL HG22 . 18322 1 949 . 1 1 80 80 VAL HG23 H 1 1.061 . . 2 . . . A 80 VAL HG23 . 18322 1 950 . 1 1 80 80 VAL C C 13 178.410 . . 1 . . . A 80 VAL C . 18322 1 951 . 1 1 80 80 VAL CA C 13 65.941 . . 1 . . . A 80 VAL CA . 18322 1 952 . 1 1 80 80 VAL CB C 13 31.971 . . 1 . . . A 80 VAL CB . 18322 1 953 . 1 1 80 80 VAL CG1 C 13 21.200 . . 1 . . . A 80 VAL CG1 . 18322 1 954 . 1 1 80 80 VAL CG2 C 13 22.490 . . 1 . . . A 80 VAL CG2 . 18322 1 955 . 1 1 80 80 VAL N N 15 118.811 . . 1 . . . A 80 VAL N . 18322 1 956 . 1 1 81 81 LYS H H 1 7.572 . . 1 . . . A 81 LYS H . 18322 1 957 . 1 1 81 81 LYS HA H 1 4.080 . . 1 . . . A 81 LYS HA . 18322 1 958 . 1 1 81 81 LYS HB2 H 1 2.148 . . 1 . . . A 81 LYS HB2 . 18322 1 959 . 1 1 81 81 LYS HB3 H 1 2.148 . . 1 . . . A 81 LYS HB3 . 18322 1 960 . 1 1 81 81 LYS HG2 H 1 1.526 . . 2 . . . A 81 LYS HG2 . 18322 1 961 . 1 1 81 81 LYS HG3 H 1 1.401 . . 2 . . . A 81 LYS HG3 . 18322 1 962 . 1 1 81 81 LYS HD2 H 1 1.632 . . 2 . . . A 81 LYS HD2 . 18322 1 963 . 1 1 81 81 LYS HD3 H 1 1.632 . . 2 . . . A 81 LYS HD3 . 18322 1 964 . 1 1 81 81 LYS HE2 H 1 2.930 . . 2 . . . A 81 LYS HE2 . 18322 1 965 . 1 1 81 81 LYS HE3 H 1 2.930 . . 2 . . . A 81 LYS HE3 . 18322 1 966 . 1 1 81 81 LYS C C 13 179.478 . . 1 . . . A 81 LYS C . 18322 1 967 . 1 1 81 81 LYS CA C 13 58.974 . . 1 . . . A 81 LYS CA . 18322 1 968 . 1 1 81 81 LYS CB C 13 32.512 . . 1 . . . A 81 LYS CB . 18322 1 969 . 1 1 81 81 LYS CG C 13 25.080 . . 1 . . . A 81 LYS CG . 18322 1 970 . 1 1 81 81 LYS CD C 13 29.300 . . 1 . . . A 81 LYS CD . 18322 1 971 . 1 1 81 81 LYS CE C 13 42.100 . . 1 . . . A 81 LYS CE . 18322 1 972 . 1 1 81 81 LYS N N 15 121.302 . . 1 . . . A 81 LYS N . 18322 1 973 . 1 1 82 82 ILE H H 1 8.151 . . 1 . . . A 82 ILE H . 18322 1 974 . 1 1 82 82 ILE HA H 1 3.941 . . 1 . . . A 82 ILE HA . 18322 1 975 . 1 1 82 82 ILE HB H 1 1.955 . . 1 . . . A 82 ILE HB . 18322 1 976 . 1 1 82 82 ILE HG12 H 1 1.588 . . 1 . . . A 82 ILE HG12 . 18322 1 977 . 1 1 82 82 ILE HG13 H 1 1.189 . . 1 . . . A 82 ILE HG13 . 18322 1 978 . 1 1 82 82 ILE HG21 H 1 0.922 . . 1 . . . A 82 ILE HG21 . 18322 1 979 . 1 1 82 82 ILE HG22 H 1 0.922 . . 1 . . . A 82 ILE HG22 . 18322 1 980 . 1 1 82 82 ILE HG23 H 1 0.922 . . 1 . . . A 82 ILE HG23 . 18322 1 981 . 1 1 82 82 ILE HD11 H 1 0.832 . . 1 . . . A 82 ILE HD11 . 18322 1 982 . 1 1 82 82 ILE HD12 H 1 0.832 . . 1 . . . A 82 ILE HD12 . 18322 1 983 . 1 1 82 82 ILE HD13 H 1 0.832 . . 1 . . . A 82 ILE HD13 . 18322 1 984 . 1 1 82 82 ILE C C 13 177.493 . . 1 . . . A 82 ILE C . 18322 1 985 . 1 1 82 82 ILE CA C 13 63.654 . . 1 . . . A 82 ILE CA . 18322 1 986 . 1 1 82 82 ILE CB C 13 38.346 . . 1 . . . A 82 ILE CB . 18322 1 987 . 1 1 82 82 ILE CG1 C 13 28.220 . . 1 . . . A 82 ILE CG1 . 18322 1 988 . 1 1 82 82 ILE CG2 C 13 17.350 . . 1 . . . A 82 ILE CG2 . 18322 1 989 . 1 1 82 82 ILE CD1 C 13 14.700 . . 1 . . . A 82 ILE CD1 . 18322 1 990 . 1 1 82 82 ILE N N 15 117.470 . . 1 . . . A 82 ILE N . 18322 1 991 . 1 1 83 83 ALA H H 1 7.857 . . 1 . . . A 83 ALA H . 18322 1 992 . 1 1 83 83 ALA HA H 1 4.272 . . 1 . . . A 83 ALA HA . 18322 1 993 . 1 1 83 83 ALA HB1 H 1 1.493 . . 1 . . . A 83 ALA HB1 . 18322 1 994 . 1 1 83 83 ALA HB2 H 1 1.493 . . 1 . . . A 83 ALA HB2 . 18322 1 995 . 1 1 83 83 ALA HB3 H 1 1.493 . . 1 . . . A 83 ALA HB3 . 18322 1 996 . 1 1 83 83 ALA C C 13 179.129 . . 1 . . . A 83 ALA C . 18322 1 997 . 1 1 83 83 ALA CA C 13 53.934 . . 1 . . . A 83 ALA CA . 18322 1 998 . 1 1 83 83 ALA CB C 13 18.724 . . 1 . . . A 83 ALA CB . 18322 1 999 . 1 1 83 83 ALA N N 15 123.344 . . 1 . . . A 83 ALA N . 18322 1 1000 . 1 1 84 84 GLY H H 1 8.013 . . 1 . . . A 84 GLY H . 18322 1 1001 . 1 1 84 84 GLY HA2 H 1 4.000 . . 1 . . . A 84 GLY HA2 . 18322 1 1002 . 1 1 84 84 GLY HA3 H 1 3.906 . . 1 . . . A 84 GLY HA3 . 18322 1 1003 . 1 1 84 84 GLY C C 13 174.789 . . 1 . . . A 84 GLY C . 18322 1 1004 . 1 1 84 84 GLY CA C 13 45.851 . . 1 . . . A 84 GLY CA . 18322 1 1005 . 1 1 84 84 GLY N N 15 105.945 . . 1 . . . A 84 GLY N . 18322 1 1006 . 1 1 85 85 LEU H H 1 7.715 . . 1 . . . A 85 LEU H . 18322 1 1007 . 1 1 85 85 LEU HA H 1 4.267 . . 1 . . . A 85 LEU HA . 18322 1 1008 . 1 1 85 85 LEU HB2 H 1 1.695 . . 1 . . . A 85 LEU HB2 . 18322 1 1009 . 1 1 85 85 LEU HB3 H 1 1.556 . . 1 . . . A 85 LEU HB3 . 18322 1 1010 . 1 1 85 85 LEU HG H 1 1.670 . . 1 . . . A 85 LEU HG . 18322 1 1011 . 1 1 85 85 LEU HD11 H 1 0.909 . . 2 . . . A 85 LEU HD11 . 18322 1 1012 . 1 1 85 85 LEU HD12 H 1 0.909 . . 2 . . . A 85 LEU HD12 . 18322 1 1013 . 1 1 85 85 LEU HD13 H 1 0.909 . . 2 . . . A 85 LEU HD13 . 18322 1 1014 . 1 1 85 85 LEU HD21 H 1 0.846 . . 2 . . . A 85 LEU HD21 . 18322 1 1015 . 1 1 85 85 LEU HD22 H 1 0.846 . . 2 . . . A 85 LEU HD22 . 18322 1 1016 . 1 1 85 85 LEU HD23 H 1 0.846 . . 2 . . . A 85 LEU HD23 . 18322 1 1017 . 1 1 85 85 LEU C C 13 177.621 . . 1 . . . A 85 LEU C . 18322 1 1018 . 1 1 85 85 LEU CA C 13 55.529 . . 1 . . . A 85 LEU CA . 18322 1 1019 . 1 1 85 85 LEU CB C 13 42.407 . . 1 . . . A 85 LEU CB . 18322 1 1020 . 1 1 85 85 LEU CG C 13 26.840 . . 1 . . . A 85 LEU CG . 18322 1 1021 . 1 1 85 85 LEU CD1 C 13 25.200 . . 1 . . . A 85 LEU CD1 . 18322 1 1022 . 1 1 85 85 LEU CD2 C 13 23.210 . . 1 . . . A 85 LEU CD2 . 18322 1 1023 . 1 1 85 85 LEU N N 15 120.804 . . 1 . . . A 85 LEU N . 18322 1 1024 . 1 1 86 86 GLU H H 1 8.207 . . 1 . . . A 86 GLU H . 18322 1 1025 . 1 1 86 86 GLU HA H 1 4.150 . . 1 . . . A 86 GLU HA . 18322 1 1026 . 1 1 86 86 GLU HB2 H 1 1.906 . . 1 . . . A 86 GLU HB2 . 18322 1 1027 . 1 1 86 86 GLU HB3 H 1 1.906 . . 1 . . . A 86 GLU HB3 . 18322 1 1028 . 1 1 86 86 GLU HG2 H 1 2.227 . . 2 . . . A 86 GLU HG2 . 18322 1 1029 . 1 1 86 86 GLU HG3 H 1 2.116 . . 2 . . . A 86 GLU HG3 . 18322 1 1030 . 1 1 86 86 GLU C C 13 176.358 . . 1 . . . A 86 GLU C . 18322 1 1031 . 1 1 86 86 GLU CA C 13 56.941 . . 1 . . . A 86 GLU CA . 18322 1 1032 . 1 1 86 86 GLU CB C 13 30.177 . . 1 . . . A 86 GLU CB . 18322 1 1033 . 1 1 86 86 GLU CG C 13 36.180 . . 1 . . . A 86 GLU CG . 18322 1 1034 . 1 1 86 86 GLU N N 15 120.463 . . 1 . . . A 86 GLU N . 18322 1 1035 . 1 1 87 87 HIS H H 1 8.203 . . 1 . . . A 87 HIS H . 18322 1 1036 . 1 1 87 87 HIS HA H 1 4.611 . . 1 . . . A 87 HIS HA . 18322 1 1037 . 1 1 87 87 HIS HB2 H 1 3.111 . . 1 . . . A 87 HIS HB2 . 18322 1 1038 . 1 1 87 87 HIS HB3 H 1 3.111 . . 1 . . . A 87 HIS HB3 . 18322 1 1039 . 1 1 87 87 HIS C C 13 174.995 . . 1 . . . A 87 HIS C . 18322 1 1040 . 1 1 87 87 HIS CA C 13 56.093 . . 1 . . . A 87 HIS CA . 18322 1 1041 . 1 1 87 87 HIS CB C 13 30.318 . . 1 . . . A 87 HIS CB . 18322 1 1042 . 1 1 87 87 HIS N N 15 119.416 . . 1 . . . A 87 HIS N . 18322 1 1043 . 1 1 88 88 HIS H H 1 8.158 . . 1 . . . A 88 HIS H . 18322 1 1044 . 1 1 88 88 HIS C C 13 179.232 . . 1 . . . A 88 HIS C . 18322 1 1045 . 1 1 88 88 HIS CA C 13 57.342 . . 1 . . . A 88 HIS CA . 18322 1 1046 . 1 1 88 88 HIS CB C 13 30.373 . . 1 . . . A 88 HIS CB . 18322 1 1047 . 1 1 88 88 HIS N N 15 125.471 . . 1 . . . A 88 HIS N . 18322 1 stop_ save_