data_6532 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6532 _Entry.Title ; Solution structure of apo-S100A13 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-03 _Entry.Accession_date 2005-03-09 _Entry.Last_release_date 2006-02-22 _Entry.Original_release_date 2006-02-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. Arnesano . . . 6532 2 L. Banci . . . 6532 3 I. Bertini . . . 6532 4 A. Fantoni . . . 6532 5 L. Tenori . . . 6532 6 M. Viezzoli . S. . 6532 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6532 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 605 6532 '13C chemical shifts' 275 6532 '15N chemical shifts' 90 6532 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-02-22 2005-03-03 original author . 6532 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6531 Calcium-S100A13 6532 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6532 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16145699 _Citation.Full_citation . _Citation.Title 'Structural interplay between calcium(II) and copper(II) binding to S100A13 protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 39 _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 6341 _Citation.Page_last 6344 _Citation.Year 2005 _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 F. Arnesano . . . 6532 1 2 L. Banci . . . 6532 1 3 I. Bertini . . . 6532 1 4 A. Fantoni . . . 6532 1 5 L. Tenori . . . 6532 1 6 M. Viezzoli . S. . 6532 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID S100A13 6532 1 'EF hand calcium-binding proteins' 6532 1 Copper(II) 6532 1 'NMR structure' 6532 1 'Structural Genomics' 6532 1 'Structural Proteomics in Europe' 6532 1 SPINE 6532 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_A13 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_A13 _Assembly.Entry_ID 6532 _Assembly.ID 1 _Assembly.Name apo-S100A13 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6532 1 stop_ 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 'apo-S100A13 chain A' 1 $A13 . . . native . . 1 . . 6532 1 2 'apo-S100A13 chain B' 1 $A13 . . . native . . 1 . . 6532 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1YUS . . . . . . 6532 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID apo-S100A13 system 6532 1 apo-S100A13 abbreviation 6532 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_A13 _Entity.Sf_category entity _Entity.Sf_framecode A13 _Entity.Entry_ID 6532 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apo-S100A13 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAEPLTELEESIETVVTTF FTFARQEGRKDSLSVNEFKE LVTQQLPHLLKDVGSLDEKM KSLDVNQDSELKFNEYWRLI GELAKEIRKKKDLKIRKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15952 . S100A13 . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 2 no BMRB 6531 . A13 . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 3 no PDB 1YUR . "Solution Structure Of Apo-S100a13 (Minimized Mean Structure)" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 4 no PDB 1YUS . "Solution Structure Of Apo-S100a13" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 5 no PDB 1YUT . "Solution Structure Of Calcium-s100a13 (minimized Mean Structure)" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 6 no PDB 1YUU . "Solution Structure Of Calcium-s100a13" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 7 no PDB 2EGD . "Crystal Structure Of Human S100a13 In The Ca2+-Bound State" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 8 no PDB 2H2K . "Crystal Structure Analysis Of Human S100a13" . . . . . 100.00 106 100.00 100.00 1.88e-62 . . . . 6532 1 9 no PDB 2K8M . "S100a13-C2a Binary Complex Structure" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 10 no PDB 2KI4 . "Fgf1-S100a13 Complex Structure: Key Component In Non-Classic Way Of Fgf1" . . . . . 97.96 98 100.00 100.00 7.08e-61 . . . . 6532 1 11 no PDB 2KI6 . "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" . . . . . 97.96 98 100.00 100.00 7.08e-61 . . . . 6532 1 12 no PDB 2KOT . "Solution Structure Of S100a13 With A Drug Amlexanox" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 13 no PDB 2L5X . "Solution Structure Of Il1a-S100a13 Complex" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 14 no PDB 2LE9 . "Ragec2-S100a13 Tetrameric Complex" . . . . . 98.98 97 100.00 100.00 3.46e-61 . . . . 6532 1 15 no DBJ BAG74209 . "S100 calcium binding protein A13 [synthetic construct]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 16 no EMBL CAA68188 . "S100 calcium-binding protein A13 (S100A13) [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 17 no EMBL CAG46946 . "S100A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 18 no GB AAH00632 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 19 no GB AAH68064 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 20 no GB AAH70291 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 21 no GB AAP35370 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 22 no GB AAP36320 . "Homo sapiens S100 calcium binding protein A13 [synthetic construct]" . . . . . 100.00 99 100.00 100.00 4.11e-62 . . . . 6532 1 23 no REF NP_001019381 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 24 no REF NP_001019382 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 25 no REF NP_001019383 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 26 no REF NP_001019384 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 27 no REF NP_005970 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 28 no SP Q99584 . "RecName: Full=Protein S100-A13; AltName: Full=S100 calcium-binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 6532 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID apo-S100A13 common 6532 1 apo-S100A13 abbreviation 6532 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 . MET . 6532 1 2 . ALA . 6532 1 3 . ALA . 6532 1 4 . GLU . 6532 1 5 . PRO . 6532 1 6 . LEU . 6532 1 7 . THR . 6532 1 8 . GLU . 6532 1 9 . LEU . 6532 1 10 . GLU . 6532 1 11 . GLU . 6532 1 12 . SER . 6532 1 13 . ILE . 6532 1 14 . GLU . 6532 1 15 . THR . 6532 1 16 . VAL . 6532 1 17 . VAL . 6532 1 18 . THR . 6532 1 19 . THR . 6532 1 20 . PHE . 6532 1 21 . PHE . 6532 1 22 . THR . 6532 1 23 . PHE . 6532 1 24 . ALA . 6532 1 25 . ARG . 6532 1 26 . GLN . 6532 1 27 . GLU . 6532 1 28 . GLY . 6532 1 29 . ARG . 6532 1 30 . LYS . 6532 1 31 . ASP . 6532 1 32 . SER . 6532 1 33 . LEU . 6532 1 34 . SER . 6532 1 35 . VAL . 6532 1 36 . ASN . 6532 1 37 . GLU . 6532 1 38 . PHE . 6532 1 39 . LYS . 6532 1 40 . GLU . 6532 1 41 . LEU . 6532 1 42 . VAL . 6532 1 43 . THR . 6532 1 44 . GLN . 6532 1 45 . GLN . 6532 1 46 . LEU . 6532 1 47 . PRO . 6532 1 48 . HIS . 6532 1 49 . LEU . 6532 1 50 . LEU . 6532 1 51 . LYS . 6532 1 52 . ASP . 6532 1 53 . VAL . 6532 1 54 . GLY . 6532 1 55 . SER . 6532 1 56 . LEU . 6532 1 57 . ASP . 6532 1 58 . GLU . 6532 1 59 . LYS . 6532 1 60 . MET . 6532 1 61 . LYS . 6532 1 62 . SER . 6532 1 63 . LEU . 6532 1 64 . ASP . 6532 1 65 . VAL . 6532 1 66 . ASN . 6532 1 67 . GLN . 6532 1 68 . ASP . 6532 1 69 . SER . 6532 1 70 . GLU . 6532 1 71 . LEU . 6532 1 72 . LYS . 6532 1 73 . PHE . 6532 1 74 . ASN . 6532 1 75 . GLU . 6532 1 76 . TYR . 6532 1 77 . TRP . 6532 1 78 . ARG . 6532 1 79 . LEU . 6532 1 80 . ILE . 6532 1 81 . GLY . 6532 1 82 . GLU . 6532 1 83 . LEU . 6532 1 84 . ALA . 6532 1 85 . LYS . 6532 1 86 . GLU . 6532 1 87 . ILE . 6532 1 88 . ARG . 6532 1 89 . LYS . 6532 1 90 . LYS . 6532 1 91 . LYS . 6532 1 92 . ASP . 6532 1 93 . LEU . 6532 1 94 . LYS . 6532 1 95 . ILE . 6532 1 96 . ARG . 6532 1 97 . LYS . 6532 1 98 . LYS . 6532 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 6532 1 . ALA 2 2 6532 1 . ALA 3 3 6532 1 . GLU 4 4 6532 1 . PRO 5 5 6532 1 . LEU 6 6 6532 1 . THR 7 7 6532 1 . GLU 8 8 6532 1 . LEU 9 9 6532 1 . GLU 10 10 6532 1 . GLU 11 11 6532 1 . SER 12 12 6532 1 . ILE 13 13 6532 1 . GLU 14 14 6532 1 . THR 15 15 6532 1 . VAL 16 16 6532 1 . VAL 17 17 6532 1 . THR 18 18 6532 1 . THR 19 19 6532 1 . PHE 20 20 6532 1 . PHE 21 21 6532 1 . THR 22 22 6532 1 . PHE 23 23 6532 1 . ALA 24 24 6532 1 . ARG 25 25 6532 1 . GLN 26 26 6532 1 . GLU 27 27 6532 1 . GLY 28 28 6532 1 . ARG 29 29 6532 1 . LYS 30 30 6532 1 . ASP 31 31 6532 1 . SER 32 32 6532 1 . LEU 33 33 6532 1 . SER 34 34 6532 1 . VAL 35 35 6532 1 . ASN 36 36 6532 1 . GLU 37 37 6532 1 . PHE 38 38 6532 1 . LYS 39 39 6532 1 . GLU 40 40 6532 1 . LEU 41 41 6532 1 . VAL 42 42 6532 1 . THR 43 43 6532 1 . GLN 44 44 6532 1 . GLN 45 45 6532 1 . LEU 46 46 6532 1 . PRO 47 47 6532 1 . HIS 48 48 6532 1 . LEU 49 49 6532 1 . LEU 50 50 6532 1 . LYS 51 51 6532 1 . ASP 52 52 6532 1 . VAL 53 53 6532 1 . GLY 54 54 6532 1 . SER 55 55 6532 1 . LEU 56 56 6532 1 . ASP 57 57 6532 1 . GLU 58 58 6532 1 . LYS 59 59 6532 1 . MET 60 60 6532 1 . LYS 61 61 6532 1 . SER 62 62 6532 1 . LEU 63 63 6532 1 . ASP 64 64 6532 1 . VAL 65 65 6532 1 . ASN 66 66 6532 1 . GLN 67 67 6532 1 . ASP 68 68 6532 1 . SER 69 69 6532 1 . GLU 70 70 6532 1 . LEU 71 71 6532 1 . LYS 72 72 6532 1 . PHE 73 73 6532 1 . ASN 74 74 6532 1 . GLU 75 75 6532 1 . TYR 76 76 6532 1 . TRP 77 77 6532 1 . ARG 78 78 6532 1 . LEU 79 79 6532 1 . ILE 80 80 6532 1 . GLY 81 81 6532 1 . GLU 82 82 6532 1 . LEU 83 83 6532 1 . ALA 84 84 6532 1 . LYS 85 85 6532 1 . GLU 86 86 6532 1 . ILE 87 87 6532 1 . ARG 88 88 6532 1 . LYS 89 89 6532 1 . LYS 90 90 6532 1 . LYS 91 91 6532 1 . ASP 92 92 6532 1 . LEU 93 93 6532 1 . LYS 94 94 6532 1 . ILE 95 95 6532 1 . ARG 96 96 6532 1 . LYS 97 97 6532 1 . LYS 98 98 6532 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 6532 _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 $A13 . 9606 . . 'Homon sapiens' Human . . Eukaryota Metazoa Homon sapiens . . . . . . . . . . . . . . . . . . . . . 6532 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 6532 _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 $A13 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6532 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6532 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 apo-S100A13 '[U-13C; U-15N]' . . 1 $A13 . . 1.5 . . mM . . . . 6532 1 2 'sodium acetate buffer' . . . . . . . 20 . . mM . . . . 6532 1 3 D2O . . . . . . . 10 . . % . . . . 6532 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6532 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.6 . pH 6532 1 temperature 298 . K 6532 1 'ionic strength' 20 . mM 6532 1 pressure 1 . atm 6532 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6532 _Software.ID 1 _Software.Name DYANA _Software.Version 5.1 _Software.Details 'Guntert et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6532 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6532 _Software.ID 2 _Software.Name AMBER _Software.Version 6 _Software.Details 'D.A. Case et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6532 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6532 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6532 _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 NMR_spectrometer Bruker AVANCE . 500 . . . 6532 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 6532 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6532 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6532 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6532 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6532 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6532 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6532 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6532 _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 H 1 water . . . . . ppm . . . 1.0 . . . . . . . . . 6532 1 N 15 Urea . . . . . ppm . . . . . . . . . . . . . 6532 1 C 13 Dioxane . . . . . ppm . . . . . . . . . . . . . 6532 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6532 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6532 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 ALA H H 1 8.215 0.000 . . . . . . . . . . 6532 1 2 . 1 1 2 2 ALA HA H 1 4.257 0.000 . . . . . . . . . . 6532 1 3 . 1 1 2 2 ALA HB1 H 1 1.072 0.000 . . . . . . . . . . 6532 1 4 . 1 1 2 2 ALA HB2 H 1 1.072 0.000 . . . . . . . . . . 6532 1 5 . 1 1 2 2 ALA HB3 H 1 1.072 0.000 . . . . . . . . . . 6532 1 6 . 1 1 2 2 ALA CA C 13 48.924 0.000 . . . . . . . . . . 6532 1 7 . 1 1 2 2 ALA CB C 13 16.768 0.000 . . . . . . . . . . 6532 1 8 . 1 1 2 2 ALA N N 15 124.934 0.000 . . . . . . . . . . 6532 1 9 . 1 1 3 3 ALA H H 1 8.130 0.000 . . . . . . . . . . 6532 1 10 . 1 1 3 3 ALA HA H 1 4.215 0.000 . . . . . . . . . . 6532 1 11 . 1 1 3 3 ALA HB1 H 1 1.254 0.000 . . . . . . . . . . 6532 1 12 . 1 1 3 3 ALA HB2 H 1 1.254 0.000 . . . . . . . . . . 6532 1 13 . 1 1 3 3 ALA HB3 H 1 1.254 0.000 . . . . . . . . . . 6532 1 14 . 1 1 3 3 ALA CA C 13 49.176 0.000 . . . . . . . . . . 6532 1 15 . 1 1 3 3 ALA CB C 13 16.232 0.000 . . . . . . . . . . 6532 1 16 . 1 1 3 3 ALA N N 15 123.023 0.000 . . . . . . . . . . 6532 1 17 . 1 1 4 4 GLU H H 1 8.266 0.000 . . . . . . . . . . 6532 1 18 . 1 1 4 4 GLU HA H 1 4.444 0.000 . . . . . . . . . . 6532 1 19 . 1 1 4 4 GLU HB2 H 1 1.735 0.000 . . . . . . . . . . 6532 1 20 . 1 1 4 4 GLU HB3 H 1 1.866 0.000 . . . . . . . . . . 6532 1 21 . 1 1 4 4 GLU HG2 H 1 2.186 0.000 . . . . . . . . . . 6532 1 22 . 1 1 4 4 GLU HG3 H 1 2.186 0.000 . . . . . . . . . . 6532 1 23 . 1 1 4 4 GLU CA C 13 51.776 0.000 . . . . . . . . . . 6532 1 24 . 1 1 4 4 GLU CB C 13 27.035 0.000 . . . . . . . . . . 6532 1 25 . 1 1 4 4 GLU CG C 13 33.151 0.000 . . . . . . . . . . 6532 1 26 . 1 1 4 4 GLU N N 15 121.668 0.000 . . . . . . . . . . 6532 1 27 . 1 1 5 5 PRO HA H 1 4.217 0.000 . . . . . . . . . . 6532 1 28 . 1 1 5 5 PRO HB2 H 1 2.103 0.000 . . . . . . . . . . 6532 1 29 . 1 1 5 5 PRO HB3 H 1 2.103 0.000 . . . . . . . . . . 6532 1 30 . 1 1 5 5 PRO HG2 H 1 1.883 0.000 . . . . . . . . . . 6532 1 31 . 1 1 5 5 PRO HG3 H 1 1.883 0.000 . . . . . . . . . . 6532 1 32 . 1 1 5 5 PRO HD2 H 1 3.519 0.000 . . . . . . . . . . 6532 1 33 . 1 1 5 5 PRO HD3 H 1 3.620 0.000 . . . . . . . . . . 6532 1 34 . 1 1 5 5 PRO CA C 13 60.050 0.000 . . . . . . . . . . 6532 1 35 . 1 1 5 5 PRO CB C 13 29.187 0.000 . . . . . . . . . . 6532 1 36 . 1 1 5 5 PRO CG C 13 24.323 0.000 . . . . . . . . . . 6532 1 37 . 1 1 5 5 PRO CD C 13 47.884 0.000 . . . . . . . . . . 6532 1 38 . 1 1 6 6 LEU H H 1 7.905 0.000 . . . . . . . . . . 6532 1 39 . 1 1 6 6 LEU HA H 1 4.285 0.000 . . . . . . . . . . 6532 1 40 . 1 1 6 6 LEU HB2 H 1 1.572 0.000 . . . . . . . . . . 6532 1 41 . 1 1 6 6 LEU HB3 H 1 1.572 0.000 . . . . . . . . . . 6532 1 42 . 1 1 6 6 LEU HD11 H 1 0.660 0.000 . . . . . . . . . . 6532 1 43 . 1 1 6 6 LEU HD12 H 1 0.660 0.000 . . . . . . . . . . 6532 1 44 . 1 1 6 6 LEU HD13 H 1 0.660 0.000 . . . . . . . . . . 6532 1 45 . 1 1 6 6 LEU HD21 H 1 0.488 0.000 . . . . . . . . . . 6532 1 46 . 1 1 6 6 LEU HD22 H 1 0.488 0.000 . . . . . . . . . . 6532 1 47 . 1 1 6 6 LEU HD23 H 1 0.488 0.000 . . . . . . . . . . 6532 1 48 . 1 1 6 6 LEU CA C 13 51.814 0.000 . . . . . . . . . . 6532 1 49 . 1 1 6 6 LEU CB C 13 40.353 0.000 . . . . . . . . . . 6532 1 50 . 1 1 6 6 LEU CD1 C 13 22.782 0.000 . . . . . . . . . . 6532 1 51 . 1 1 6 6 LEU CD2 C 13 19.792 0.000 . . . . . . . . . . 6532 1 52 . 1 1 6 6 LEU N N 15 120.172 0.000 . . . . . . . . . . 6532 1 53 . 1 1 7 7 THR H H 1 9.385 0.000 . . . . . . . . . . 6532 1 54 . 1 1 7 7 THR HA H 1 4.417 0.000 . . . . . . . . . . 6532 1 55 . 1 1 7 7 THR HB H 1 4.912 0.000 . . . . . . . . . . 6532 1 56 . 1 1 7 7 THR HG21 H 1 1.333 0.000 . . . . . . . . . . 6532 1 57 . 1 1 7 7 THR HG22 H 1 1.333 0.000 . . . . . . . . . . 6532 1 58 . 1 1 7 7 THR HG23 H 1 1.333 0.000 . . . . . . . . . . 6532 1 59 . 1 1 7 7 THR CA C 13 58.608 0.000 . . . . . . . . . . 6532 1 60 . 1 1 7 7 THR CB C 13 68.614 0.000 . . . . . . . . . . 6532 1 61 . 1 1 7 7 THR CG2 C 13 19.259 0.000 . . . . . . . . . . 6532 1 62 . 1 1 7 7 THR N N 15 112.566 0.000 . . . . . . . . . . 6532 1 63 . 1 1 8 8 GLU H H 1 9.097 0.000 . . . . . . . . . . 6532 1 64 . 1 1 8 8 GLU HA H 1 4.145 0.000 . . . . . . . . . . 6532 1 65 . 1 1 8 8 GLU HB2 H 1 2.064 0.000 . . . . . . . . . . 6532 1 66 . 1 1 8 8 GLU HB3 H 1 2.064 0.000 . . . . . . . . . . 6532 1 67 . 1 1 8 8 GLU HG2 H 1 2.340 0.000 . . . . . . . . . . 6532 1 68 . 1 1 8 8 GLU HG3 H 1 2.340 0.000 . . . . . . . . . . 6532 1 69 . 1 1 8 8 GLU CA C 13 57.497 0.000 . . . . . . . . . . 6532 1 70 . 1 1 8 8 GLU CB C 13 26.362 0.000 . . . . . . . . . . 6532 1 71 . 1 1 8 8 GLU CG C 13 33.953 0.000 . . . . . . . . . . 6532 1 72 . 1 1 8 8 GLU N N 15 120.901 0.000 . . . . . . . . . . 6532 1 73 . 1 1 9 9 LEU HA H 1 4.067 0.000 . . . . . . . . . . 6532 1 74 . 1 1 9 9 LEU HG H 1 1.694 0.000 . . . . . . . . . . 6532 1 75 . 1 1 9 9 LEU HD11 H 1 1.524 0.000 . . . . . . . . . . 6532 1 76 . 1 1 9 9 LEU HD12 H 1 1.524 0.000 . . . . . . . . . . 6532 1 77 . 1 1 9 9 LEU HD13 H 1 1.524 0.000 . . . . . . . . . . 6532 1 78 . 1 1 9 9 LEU HD21 H 1 1.327 0.000 . . . . . . . . . . 6532 1 79 . 1 1 9 9 LEU HD22 H 1 1.327 0.000 . . . . . . . . . . 6532 1 80 . 1 1 9 9 LEU HD23 H 1 1.327 0.000 . . . . . . . . . . 6532 1 81 . 1 1 9 9 LEU H H 1 8.950 0.000 . . . . . . . . . . 6532 1 82 . 1 1 9 9 LEU HB2 H 1 1.608 0.000 . . . . . . . . . . 6532 1 83 . 1 1 9 9 LEU HB3 H 1 1.608 0.000 . . . . . . . . . . 6532 1 84 . 1 1 9 9 LEU CA C 13 55.577 0.000 . . . . . . . . . . 6532 1 85 . 1 1 9 9 LEU CB C 13 38.489 0.000 . . . . . . . . . . 6532 1 86 . 1 1 9 9 LEU CG C 13 31.041 0.000 . . . . . . . . . . 6532 1 87 . 1 1 9 9 LEU CD1 C 13 26.407 0.000 . . . . . . . . . . 6532 1 88 . 1 1 9 9 LEU CD2 C 13 21.812 0.000 . . . . . . . . . . 6532 1 89 . 1 1 9 9 LEU N N 15 121.884 0.000 . . . . . . . . . . 6532 1 90 . 1 1 10 10 GLU H H 1 7.954 0.000 . . . . . . . . . . 6532 1 91 . 1 1 10 10 GLU HA H 1 3.600 0.000 . . . . . . . . . . 6532 1 92 . 1 1 10 10 GLU HB2 H 1 1.872 0.000 . . . . . . . . . . 6532 1 93 . 1 1 10 10 GLU HB3 H 1 1.872 0.000 . . . . . . . . . . 6532 1 94 . 1 1 10 10 GLU HG2 H 1 2.049 0.000 . . . . . . . . . . 6532 1 95 . 1 1 10 10 GLU HG3 H 1 2.049 0.000 . . . . . . . . . . 6532 1 96 . 1 1 10 10 GLU CA C 13 57.662 0.000 . . . . . . . . . . 6532 1 97 . 1 1 10 10 GLU CB C 13 27.848 0.000 . . . . . . . . . . 6532 1 98 . 1 1 10 10 GLU CG C 13 37.381 0.000 . . . . . . . . . . 6532 1 99 . 1 1 10 10 GLU N N 15 118.770 0.000 . . . . . . . . . . 6532 1 100 . 1 1 11 11 GLU H H 1 8.901 0.000 . . . . . . . . . . 6532 1 101 . 1 1 11 11 GLU HA H 1 3.927 0.000 . . . . . . . . . . 6532 1 102 . 1 1 11 11 GLU HB2 H 1 2.045 0.000 . . . . . . . . . . 6532 1 103 . 1 1 11 11 GLU HB3 H 1 2.045 0.000 . . . . . . . . . . 6532 1 104 . 1 1 11 11 GLU HG2 H 1 2.168 0.000 . . . . . . . . . . 6532 1 105 . 1 1 11 11 GLU HG3 H 1 2.301 0.000 . . . . . . . . . . 6532 1 106 . 1 1 11 11 GLU CA C 13 57.174 0.000 . . . . . . . . . . 6532 1 107 . 1 1 11 11 GLU CB C 13 27.004 0.000 . . . . . . . . . . 6532 1 108 . 1 1 11 11 GLU CG C 13 33.660 0.000 . . . . . . . . . . 6532 1 109 . 1 1 11 11 GLU N N 15 119.099 0.000 . . . . . . . . . . 6532 1 110 . 1 1 12 12 SER H H 1 8.063 0.000 . . . . . . . . . . 6532 1 111 . 1 1 12 12 SER HA H 1 4.442 0.000 . . . . . . . . . . 6532 1 112 . 1 1 12 12 SER HB2 H 1 4.237 0.000 . . . . . . . . . . 6532 1 113 . 1 1 12 12 SER HB3 H 1 4.237 0.000 . . . . . . . . . . 6532 1 114 . 1 1 12 12 SER CA C 13 60.254 0.000 . . . . . . . . . . 6532 1 115 . 1 1 12 12 SER CB C 13 60.247 0.000 . . . . . . . . . . 6532 1 116 . 1 1 12 12 SER N N 15 116.752 0.000 . . . . . . . . . . 6532 1 117 . 1 1 13 13 ILE HA H 1 3.471 0.000 . . . . . . . . . . 6532 1 118 . 1 1 13 13 ILE HB H 1 1.775 0.000 . . . . . . . . . . 6532 1 119 . 1 1 13 13 ILE HG12 H 1 0.716 0.000 . . . . . . . . . . 6532 1 120 . 1 1 13 13 ILE HG21 H 1 1.067 0.000 . . . . . . . . . . 6532 1 121 . 1 1 13 13 ILE HG22 H 1 1.067 0.000 . . . . . . . . . . 6532 1 122 . 1 1 13 13 ILE HG23 H 1 1.067 0.000 . . . . . . . . . . 6532 1 123 . 1 1 13 13 ILE HD11 H 1 0.657 0.000 . . . . . . . . . . 6532 1 124 . 1 1 13 13 ILE HD12 H 1 0.657 0.000 . . . . . . . . . . 6532 1 125 . 1 1 13 13 ILE HD13 H 1 0.657 0.000 . . . . . . . . . . 6532 1 126 . 1 1 13 13 ILE H H 1 8.330 0.000 . . . . . . . . . . 6532 1 127 . 1 1 13 13 ILE HG13 H 1 0.716 0.000 . . . . . . . . . . 6532 1 128 . 1 1 13 13 ILE CA C 13 63.758 0.000 . . . . . . . . . . 6532 1 129 . 1 1 13 13 ILE CB C 13 35.629 0.000 . . . . . . . . . . 6532 1 130 . 1 1 13 13 ILE CG1 C 13 27.577 0.000 . . . . . . . . . . 6532 1 131 . 1 1 13 13 ILE CG2 C 13 18.455 0.000 . . . . . . . . . . 6532 1 132 . 1 1 13 13 ILE CD1 C 13 14.646 0.000 . . . . . . . . . . 6532 1 133 . 1 1 13 13 ILE N N 15 122.269 0.000 . . . . . . . . . . 6532 1 134 . 1 1 14 14 GLU H H 1 8.364 0.000 . . . . . . . . . . 6532 1 135 . 1 1 14 14 GLU HA H 1 3.905 0.000 . . . . . . . . . . 6532 1 136 . 1 1 14 14 GLU HB2 H 1 2.085 0.000 . . . . . . . . . . 6532 1 137 . 1 1 14 14 GLU HB3 H 1 2.085 0.000 . . . . . . . . . . 6532 1 138 . 1 1 14 14 GLU HG2 H 1 2.168 0.000 . . . . . . . . . . 6532 1 139 . 1 1 14 14 GLU HG3 H 1 2.168 0.000 . . . . . . . . . . 6532 1 140 . 1 1 14 14 GLU CA C 13 58.193 0.000 . . . . . . . . . . 6532 1 141 . 1 1 14 14 GLU CB C 13 25.983 0.000 . . . . . . . . . . 6532 1 142 . 1 1 14 14 GLU CG C 13 33.671 0.000 . . . . . . . . . . 6532 1 143 . 1 1 14 14 GLU N N 15 119.120 0.000 . . . . . . . . . . 6532 1 144 . 1 1 15 15 THR H H 1 8.484 0.000 . . . . . . . . . . 6532 1 145 . 1 1 15 15 THR HA H 1 3.965 0.000 . . . . . . . . . . 6532 1 146 . 1 1 15 15 THR HB H 1 3.999 0.000 . . . . . . . . . . 6532 1 147 . 1 1 15 15 THR HG21 H 1 1.269 0.000 . . . . . . . . . . 6532 1 148 . 1 1 15 15 THR HG22 H 1 1.269 0.000 . . . . . . . . . . 6532 1 149 . 1 1 15 15 THR HG23 H 1 1.269 0.000 . . . . . . . . . . 6532 1 150 . 1 1 15 15 THR CA C 13 64.773 0.000 . . . . . . . . . . 6532 1 151 . 1 1 15 15 THR CB C 13 64.773 0.000 . . . . . . . . . . 6532 1 152 . 1 1 15 15 THR CG2 C 13 18.677 0.000 . . . . . . . . . . 6532 1 153 . 1 1 15 15 THR N N 15 119.287 0.000 . . . . . . . . . . 6532 1 154 . 1 1 16 16 VAL H H 1 8.237 0.000 . . . . . . . . . . 6532 1 155 . 1 1 16 16 VAL HA H 1 3.643 0.000 . . . . . . . . . . 6532 1 156 . 1 1 16 16 VAL HB H 1 2.550 0.000 . . . . . . . . . . 6532 1 157 . 1 1 16 16 VAL HG11 H 1 1.097 0.000 . . . . . . . . . . 6532 1 158 . 1 1 16 16 VAL HG12 H 1 1.097 0.000 . . . . . . . . . . 6532 1 159 . 1 1 16 16 VAL HG13 H 1 1.097 0.000 . . . . . . . . . . 6532 1 160 . 1 1 16 16 VAL HG21 H 1 1.060 0.000 . . . . . . . . . . 6532 1 161 . 1 1 16 16 VAL HG22 H 1 1.060 0.000 . . . . . . . . . . 6532 1 162 . 1 1 16 16 VAL HG23 H 1 1.060 0.000 . . . . . . . . . . 6532 1 163 . 1 1 16 16 VAL CA C 13 64.646 0.000 . . . . . . . . . . 6532 1 164 . 1 1 16 16 VAL CB C 13 29.045 0.000 . . . . . . . . . . 6532 1 165 . 1 1 16 16 VAL CG1 C 13 19.168 0.000 . . . . . . . . . . 6532 1 166 . 1 1 16 16 VAL CG2 C 13 20.743 0.000 . . . . . . . . . . 6532 1 167 . 1 1 16 16 VAL N N 15 124.402 0.000 . . . . . . . . . . 6532 1 168 . 1 1 17 17 VAL H H 1 8.761 0.000 . . . . . . . . . . 6532 1 169 . 1 1 17 17 VAL HA H 1 4.067 0.000 . . . . . . . . . . 6532 1 170 . 1 1 17 17 VAL HB H 1 2.533 0.000 . . . . . . . . . . 6532 1 171 . 1 1 17 17 VAL HG11 H 1 0.936 0.000 . . . . . . . . . . 6532 1 172 . 1 1 17 17 VAL HG12 H 1 0.936 0.000 . . . . . . . . . . 6532 1 173 . 1 1 17 17 VAL HG13 H 1 0.936 0.000 . . . . . . . . . . 6532 1 174 . 1 1 17 17 VAL HG21 H 1 0.704 0.000 . . . . . . . . . . 6532 1 175 . 1 1 17 17 VAL HG22 H 1 0.704 0.000 . . . . . . . . . . 6532 1 176 . 1 1 17 17 VAL HG23 H 1 0.704 0.000 . . . . . . . . . . 6532 1 177 . 1 1 17 17 VAL CA C 13 64.995 0.000 . . . . . . . . . . 6532 1 178 . 1 1 17 17 VAL CB C 13 29.666 0.000 . . . . . . . . . . 6532 1 179 . 1 1 17 17 VAL CG1 C 13 20.650 0.000 . . . . . . . . . . 6532 1 180 . 1 1 17 17 VAL CG2 C 13 19.386 0.000 . . . . . . . . . . 6532 1 181 . 1 1 17 17 VAL N N 15 120.607 0.000 . . . . . . . . . . 6532 1 182 . 1 1 18 18 THR H H 1 9.191 0.000 . . . . . . . . . . 6532 1 183 . 1 1 18 18 THR HA H 1 4.080 0.000 . . . . . . . . . . 6532 1 184 . 1 1 18 18 THR HB H 1 4.688 0.000 . . . . . . . . . . 6532 1 185 . 1 1 18 18 THR HG21 H 1 1.064 0.000 . . . . . . . . . . 6532 1 186 . 1 1 18 18 THR HG22 H 1 1.064 0.000 . . . . . . . . . . 6532 1 187 . 1 1 18 18 THR HG23 H 1 1.064 0.000 . . . . . . . . . . 6532 1 188 . 1 1 18 18 THR CA C 13 64.470 0.000 . . . . . . . . . . 6532 1 189 . 1 1 18 18 THR CB C 13 66.443 0.000 . . . . . . . . . . 6532 1 190 . 1 1 18 18 THR CG2 C 13 18.899 0.000 . . . . . . . . . . 6532 1 191 . 1 1 18 18 THR N N 15 113.878 0.000 . . . . . . . . . . 6532 1 192 . 1 1 19 19 THR H H 1 8.105 0.000 . . . . . . . . . . 6532 1 193 . 1 1 19 19 THR HA H 1 3.993 0.000 . . . . . . . . . . 6532 1 194 . 1 1 19 19 THR HB H 1 4.317 0.000 . . . . . . . . . . 6532 1 195 . 1 1 19 19 THR HG21 H 1 1.287 0.000 . . . . . . . . . . 6532 1 196 . 1 1 19 19 THR HG22 H 1 1.287 0.000 . . . . . . . . . . 6532 1 197 . 1 1 19 19 THR HG23 H 1 1.287 0.000 . . . . . . . . . . 6532 1 198 . 1 1 19 19 THR CA C 13 65.410 0.000 . . . . . . . . . . 6532 1 199 . 1 1 19 19 THR CB C 13 66.228 0.000 . . . . . . . . . . 6532 1 200 . 1 1 19 19 THR CG2 C 13 18.422 0.000 . . . . . . . . . . 6532 1 201 . 1 1 19 19 THR N N 15 118.270 0.000 . . . . . . . . . . 6532 1 202 . 1 1 20 20 PHE H H 1 6.911 0.000 . . . . . . . . . . 6532 1 203 . 1 1 20 20 PHE HA H 1 3.656 0.000 . . . . . . . . . . 6532 1 204 . 1 1 20 20 PHE HB2 H 1 2.710 0.000 . . . . . . . . . . 6532 1 205 . 1 1 20 20 PHE HB3 H 1 2.710 0.000 . . . . . . . . . . 6532 1 206 . 1 1 20 20 PHE HD1 H 1 6.601 0.000 . . . . . . . . . . 6532 1 207 . 1 1 20 20 PHE HD2 H 1 6.601 0.000 . . . . . . . . . . 6532 1 208 . 1 1 20 20 PHE HE1 H 1 7.043 0.000 . . . . . . . . . . 6532 1 209 . 1 1 20 20 PHE HE2 H 1 7.043 0.000 . . . . . . . . . . 6532 1 210 . 1 1 20 20 PHE HZ H 1 6.717 0.000 . . . . . . . . . . 6532 1 211 . 1 1 20 20 PHE CA C 13 59.076 0.000 . . . . . . . . . . 6532 1 212 . 1 1 20 20 PHE CB C 13 35.510 0.000 . . . . . . . . . . 6532 1 213 . 1 1 20 20 PHE N N 15 119.539 0.000 . . . . . . . . . . 6532 1 214 . 1 1 21 21 PHE H H 1 7.120 0.000 . . . . . . . . . . 6532 1 215 . 1 1 21 21 PHE HA H 1 3.827 0.000 . . . . . . . . . . 6532 1 216 . 1 1 21 21 PHE HB2 H 1 2.889 0.000 . . . . . . . . . . 6532 1 217 . 1 1 21 21 PHE HB3 H 1 2.889 0.000 . . . . . . . . . . 6532 1 218 . 1 1 21 21 PHE CA C 13 59.428 0.000 . . . . . . . . . . 6532 1 219 . 1 1 21 21 PHE CB C 13 36.505 0.000 . . . . . . . . . . 6532 1 220 . 1 1 21 21 PHE N N 15 114.919 0.000 . . . . . . . . . . 6532 1 221 . 1 1 22 22 THR H H 1 8.962 0.000 . . . . . . . . . . 6532 1 222 . 1 1 22 22 THR HA H 1 4.678 0.000 . . . . . . . . . . 6532 1 223 . 1 1 22 22 THR HB H 1 4.281 0.000 . . . . . . . . . . 6532 1 224 . 1 1 22 22 THR HG21 H 1 1.067 0.000 . . . . . . . . . . 6532 1 225 . 1 1 22 22 THR HG22 H 1 1.067 0.000 . . . . . . . . . . 6532 1 226 . 1 1 22 22 THR HG23 H 1 1.067 0.000 . . . . . . . . . . 6532 1 227 . 1 1 22 22 THR N N 15 117.328 0.000 . . . . . . . . . . 6532 1 228 . 1 1 23 23 PHE H H 1 7.859 0.000 . . . . . . . . . . 6532 1 229 . 1 1 23 23 PHE HA H 1 4.007 0.000 . . . . . . . . . . 6532 1 230 . 1 1 23 23 PHE HB2 H 1 2.723 0.000 . . . . . . . . . . 6532 1 231 . 1 1 23 23 PHE HB3 H 1 2.723 0.000 . . . . . . . . . . 6532 1 232 . 1 1 23 23 PHE CA C 13 58.821 0.000 . . . . . . . . . . 6532 1 233 . 1 1 23 23 PHE CB C 13 36.454 0.000 . . . . . . . . . . 6532 1 234 . 1 1 23 23 PHE N N 15 123.019 0.000 . . . . . . . . . . 6532 1 235 . 1 1 28 28 GLY H H 1 7.974 0.000 . . . . . . . . . . 6532 1 236 . 1 1 28 28 GLY HA2 H 1 4.008 0.000 . . . . . . . . . . 6532 1 237 . 1 1 28 28 GLY HA3 H 1 3.710 0.000 . . . . . . . . . . 6532 1 238 . 1 1 28 28 GLY CA C 13 42.976 0.000 . . . . . . . . . . 6532 1 239 . 1 1 28 28 GLY N N 15 108.266 0.000 . . . . . . . . . . 6532 1 240 . 1 1 29 29 ARG H H 1 8.178 0.000 . . . . . . . . . . 6532 1 241 . 1 1 29 29 ARG HA H 1 4.424 0.000 . . . . . . . . . . 6532 1 242 . 1 1 29 29 ARG HB2 H 1 1.906 0.000 . . . . . . . . . . 6532 1 243 . 1 1 29 29 ARG HB3 H 1 1.906 0.000 . . . . . . . . . . 6532 1 244 . 1 1 29 29 ARG HG2 H 1 1.972 0.000 . . . . . . . . . . 6532 1 245 . 1 1 29 29 ARG HG3 H 1 1.972 0.000 . . . . . . . . . . 6532 1 246 . 1 1 29 29 ARG CA C 13 52.580 0.000 . . . . . . . . . . 6532 1 247 . 1 1 29 29 ARG CB C 13 28.563 0.000 . . . . . . . . . . 6532 1 248 . 1 1 29 29 ARG CG C 13 33.225 0.000 . . . . . . . . . . 6532 1 249 . 1 1 29 29 ARG N N 15 120.685 0.000 . . . . . . . . . . 6532 1 250 . 1 1 30 30 LYS H H 1 8.296 0.000 . . . . . . . . . . 6532 1 251 . 1 1 30 30 LYS HA H 1 4.349 0.000 . . . . . . . . . . 6532 1 252 . 1 1 30 30 LYS HB2 H 1 1.726 0.000 . . . . . . . . . . 6532 1 253 . 1 1 30 30 LYS HB3 H 1 1.659 0.000 . . . . . . . . . . 6532 1 254 . 1 1 30 30 LYS HG2 H 1 1.296 0.000 . . . . . . . . . . 6532 1 255 . 1 1 30 30 LYS HG3 H 1 1.241 0.000 . . . . . . . . . . 6532 1 256 . 1 1 30 30 LYS HD2 H 1 1.567 0.000 . . . . . . . . . . 6532 1 257 . 1 1 30 30 LYS HD3 H 1 1.507 0.000 . . . . . . . . . . 6532 1 258 . 1 1 30 30 LYS HE2 H 1 3.055 0.000 . . . . . . . . . . 6532 1 259 . 1 1 30 30 LYS HE3 H 1 3.055 0.000 . . . . . . . . . . 6532 1 260 . 1 1 30 30 LYS CA C 13 54.851 0.000 . . . . . . . . . . 6532 1 261 . 1 1 30 30 LYS CB C 13 30.761 0.000 . . . . . . . . . . 6532 1 262 . 1 1 30 30 LYS CG C 13 22.008 0.000 . . . . . . . . . . 6532 1 263 . 1 1 30 30 LYS CD C 13 26.562 0.000 . . . . . . . . . . 6532 1 264 . 1 1 30 30 LYS CE C 13 39.223 0.000 . . . . . . . . . . 6532 1 265 . 1 1 30 30 LYS N N 15 118.555 0.000 . . . . . . . . . . 6532 1 266 . 1 1 31 31 ASP H H 1 8.263 0.000 . . . . . . . . . . 6532 1 267 . 1 1 31 31 ASP HA H 1 4.678 0.000 . . . . . . . . . . 6532 1 268 . 1 1 31 31 ASP HB2 H 1 2.670 0.000 . . . . . . . . . . 6532 1 269 . 1 1 31 31 ASP HB3 H 1 2.566 0.000 . . . . . . . . . . 6532 1 270 . 1 1 31 31 ASP CA C 13 50.888 0.000 . . . . . . . . . . 6532 1 271 . 1 1 31 31 ASP CB C 13 37.900 0.000 . . . . . . . . . . 6532 1 272 . 1 1 31 31 ASP N N 15 116.694 0.000 . . . . . . . . . . 6532 1 273 . 1 1 32 32 SER H H 1 7.242 0.000 . . . . . . . . . . 6532 1 274 . 1 1 32 32 SER HA H 1 5.232 0.000 . . . . . . . . . . 6532 1 275 . 1 1 32 32 SER HB2 H 1 3.728 0.000 . . . . . . . . . . 6532 1 276 . 1 1 32 32 SER HB3 H 1 3.575 0.000 . . . . . . . . . . 6532 1 277 . 1 1 32 32 SER CA C 13 54.167 0.000 . . . . . . . . . . 6532 1 278 . 1 1 32 32 SER CB C 13 63.622 0.000 . . . . . . . . . . 6532 1 279 . 1 1 32 32 SER N N 15 110.906 0.000 . . . . . . . . . . 6532 1 280 . 1 1 33 33 LEU H H 1 8.587 0.000 . . . . . . . . . . 6532 1 281 . 1 1 33 33 LEU HA H 1 4.350 0.000 . . . . . . . . . . 6532 1 282 . 1 1 33 33 LEU HB2 H 1 1.468 0.000 . . . . . . . . . . 6532 1 283 . 1 1 33 33 LEU HB3 H 1 1.772 0.000 . . . . . . . . . . 6532 1 284 . 1 1 33 33 LEU HD11 H 1 0.748 0.000 . . . . . . . . . . 6532 1 285 . 1 1 33 33 LEU HD12 H 1 0.748 0.000 . . . . . . . . . . 6532 1 286 . 1 1 33 33 LEU HD13 H 1 0.748 0.000 . . . . . . . . . . 6532 1 287 . 1 1 33 33 LEU HD21 H 1 0.698 0.000 . . . . . . . . . . 6532 1 288 . 1 1 33 33 LEU HD22 H 1 0.698 0.000 . . . . . . . . . . 6532 1 289 . 1 1 33 33 LEU HD23 H 1 0.698 0.000 . . . . . . . . . . 6532 1 290 . 1 1 33 33 LEU CA C 13 50.660 0.000 . . . . . . . . . . 6532 1 291 . 1 1 33 33 LEU CB C 13 44.234 0.000 . . . . . . . . . . 6532 1 292 . 1 1 33 33 LEU CD1 C 13 23.726 0.000 . . . . . . . . . . 6532 1 293 . 1 1 33 33 LEU CD2 C 13 20.963 0.000 . . . . . . . . . . 6532 1 294 . 1 1 33 33 LEU N N 15 117.748 0.000 . . . . . . . . . . 6532 1 295 . 1 1 34 34 SER H H 1 9.389 0.000 . . . . . . . . . . 6532 1 296 . 1 1 34 34 SER HA H 1 4.685 0.000 . . . . . . . . . . 6532 1 297 . 1 1 34 34 SER HB2 H 1 3.884 0.000 . . . . . . . . . . 6532 1 298 . 1 1 34 34 SER HB3 H 1 3.884 0.000 . . . . . . . . . . 6532 1 299 . 1 1 34 34 SER CA C 13 54.663 0.000 . . . . . . . . . . 6532 1 300 . 1 1 34 34 SER CB C 13 62.401 0.000 . . . . . . . . . . 6532 1 301 . 1 1 34 34 SER N N 15 118.205 0.000 . . . . . . . . . . 6532 1 302 . 1 1 35 35 VAL H H 1 8.798 0.000 . . . . . . . . . . 6532 1 303 . 1 1 35 35 VAL HA H 1 3.568 0.000 . . . . . . . . . . 6532 1 304 . 1 1 35 35 VAL HB H 1 2.032 0.000 . . . . . . . . . . 6532 1 305 . 1 1 35 35 VAL HG11 H 1 0.980 0.000 . . . . . . . . . . 6532 1 306 . 1 1 35 35 VAL HG12 H 1 0.980 0.000 . . . . . . . . . . 6532 1 307 . 1 1 35 35 VAL HG13 H 1 0.980 0.000 . . . . . . . . . . 6532 1 308 . 1 1 35 35 VAL HG21 H 1 0.881 0.000 . . . . . . . . . . 6532 1 309 . 1 1 35 35 VAL HG22 H 1 0.881 0.000 . . . . . . . . . . 6532 1 310 . 1 1 35 35 VAL HG23 H 1 0.881 0.000 . . . . . . . . . . 6532 1 311 . 1 1 35 35 VAL CA C 13 64.966 0.000 . . . . . . . . . . 6532 1 312 . 1 1 35 35 VAL CB C 13 28.373 0.000 . . . . . . . . . . 6532 1 313 . 1 1 35 35 VAL CG1 C 13 20.790 0.000 . . . . . . . . . . 6532 1 314 . 1 1 35 35 VAL CG2 C 13 18.861 0.000 . . . . . . . . . . 6532 1 315 . 1 1 35 35 VAL N N 15 121.950 0.000 . . . . . . . . . . 6532 1 316 . 1 1 36 36 ASN H H 1 8.511 0.000 . . . . . . . . . . 6532 1 317 . 1 1 36 36 ASN HA H 1 4.355 0.000 . . . . . . . . . . 6532 1 318 . 1 1 36 36 ASN HB2 H 1 2.721 0.000 . . . . . . . . . . 6532 1 319 . 1 1 36 36 ASN HB3 H 1 2.721 0.000 . . . . . . . . . . 6532 1 320 . 1 1 36 36 ASN HD21 H 1 7.632 0.000 . . . . . . . . . . 6532 1 321 . 1 1 36 36 ASN HD22 H 1 6.958 0.000 . . . . . . . . . . 6532 1 322 . 1 1 36 36 ASN CA C 13 53.987 0.000 . . . . . . . . . . 6532 1 323 . 1 1 36 36 ASN CB C 13 35.023 0.000 . . . . . . . . . . 6532 1 324 . 1 1 36 36 ASN N N 15 117.684 0.000 . . . . . . . . . . 6532 1 325 . 1 1 36 36 ASN ND2 N 15 112.569 0.000 . . . . . . . . . . 6532 1 326 . 1 1 37 37 GLU H H 1 7.970 0.000 . . . . . . . . . . 6532 1 327 . 1 1 37 37 GLU HA H 1 4.019 0.000 . . . . . . . . . . 6532 1 328 . 1 1 37 37 GLU HB2 H 1 2.017 0.000 . . . . . . . . . . 6532 1 329 . 1 1 37 37 GLU HB3 H 1 2.017 0.000 . . . . . . . . . . 6532 1 330 . 1 1 37 37 GLU HG2 H 1 2.280 0.000 . . . . . . . . . . 6532 1 331 . 1 1 37 37 GLU HG3 H 1 2.280 0.000 . . . . . . . . . . 6532 1 332 . 1 1 37 37 GLU CA C 13 56.471 0.000 . . . . . . . . . . 6532 1 333 . 1 1 37 37 GLU CB C 13 27.124 0.000 . . . . . . . . . . 6532 1 334 . 1 1 37 37 GLU CG C 13 33.553 0.000 . . . . . . . . . . 6532 1 335 . 1 1 37 37 GLU N N 15 121.658 0.000 . . . . . . . . . . 6532 1 336 . 1 1 38 38 PHE H H 1 8.698 0.000 . . . . . . . . . . 6532 1 337 . 1 1 38 38 PHE HA H 1 3.981 0.000 . . . . . . . . . . 6532 1 338 . 1 1 38 38 PHE HB2 H 1 2.957 0.000 . . . . . . . . . . 6532 1 339 . 1 1 38 38 PHE HB3 H 1 2.957 0.000 . . . . . . . . . . 6532 1 340 . 1 1 38 38 PHE HD1 H 1 6.997 0.000 . . . . . . . . . . 6532 1 341 . 1 1 38 38 PHE HD2 H 1 6.997 0.000 . . . . . . . . . . 6532 1 342 . 1 1 38 38 PHE HE1 H 1 7.198 0.000 . . . . . . . . . . 6532 1 343 . 1 1 38 38 PHE HE2 H 1 7.198 0.000 . . . . . . . . . . 6532 1 344 . 1 1 38 38 PHE HZ H 1 7.047 0.000 . . . . . . . . . . 6532 1 345 . 1 1 38 38 PHE CA C 13 59.042 0.000 . . . . . . . . . . 6532 1 346 . 1 1 38 38 PHE CB C 13 36.863 0.000 . . . . . . . . . . 6532 1 347 . 1 1 38 38 PHE N N 15 120.558 0.000 . . . . . . . . . . 6532 1 348 . 1 1 39 39 LYS H H 1 8.503 0.000 . . . . . . . . . . 6532 1 349 . 1 1 39 39 LYS HA H 1 3.484 0.000 . . . . . . . . . . 6532 1 350 . 1 1 39 39 LYS HB2 H 1 1.712 0.000 . . . . . . . . . . 6532 1 351 . 1 1 39 39 LYS HB3 H 1 1.712 0.000 . . . . . . . . . . 6532 1 352 . 1 1 39 39 LYS HG2 H 1 1.118 0.000 . . . . . . . . . . 6532 1 353 . 1 1 39 39 LYS HG3 H 1 1.118 0.000 . . . . . . . . . . 6532 1 354 . 1 1 39 39 LYS HD2 H 1 1.605 0.000 . . . . . . . . . . 6532 1 355 . 1 1 39 39 LYS HD3 H 1 1.605 0.000 . . . . . . . . . . 6532 1 356 . 1 1 39 39 LYS CA C 13 58.317 0.000 . . . . . . . . . . 6532 1 357 . 1 1 39 39 LYS CB C 13 28.964 0.000 . . . . . . . . . . 6532 1 358 . 1 1 39 39 LYS CG C 13 23.896 0.000 . . . . . . . . . . 6532 1 359 . 1 1 39 39 LYS CD C 13 26.461 0.000 . . . . . . . . . . 6532 1 360 . 1 1 39 39 LYS N N 15 117.543 0.000 . . . . . . . . . . 6532 1 361 . 1 1 40 40 GLU H H 1 7.710 0.000 . . . . . . . . . . 6532 1 362 . 1 1 40 40 GLU HA H 1 3.879 0.000 . . . . . . . . . . 6532 1 363 . 1 1 40 40 GLU HB2 H 1 2.074 0.000 . . . . . . . . . . 6532 1 364 . 1 1 40 40 GLU HB3 H 1 2.074 0.000 . . . . . . . . . . 6532 1 365 . 1 1 40 40 GLU HG2 H 1 2.258 0.000 . . . . . . . . . . 6532 1 366 . 1 1 40 40 GLU HG3 H 1 2.160 0.000 . . . . . . . . . . 6532 1 367 . 1 1 40 40 GLU CA C 13 57.172 0.000 . . . . . . . . . . 6532 1 368 . 1 1 40 40 GLU CB C 13 26.359 0.000 . . . . . . . . . . 6532 1 369 . 1 1 40 40 GLU CG C 13 33.400 0.000 . . . . . . . . . . 6532 1 370 . 1 1 40 40 GLU N N 15 121.811 0.000 . . . . . . . . . . 6532 1 371 . 1 1 42 42 VAL H H 1 7.912 0.000 . . . . . . . . . . 6532 1 372 . 1 1 42 42 VAL HA H 1 4.040 0.000 . . . . . . . . . . 6532 1 373 . 1 1 42 42 VAL HB H 1 2.004 0.000 . . . . . . . . . . 6532 1 374 . 1 1 42 42 VAL HG11 H 1 0.944 0.000 . . . . . . . . . . 6532 1 375 . 1 1 42 42 VAL HG12 H 1 0.944 0.000 . . . . . . . . . . 6532 1 376 . 1 1 42 42 VAL HG13 H 1 0.944 0.000 . . . . . . . . . . 6532 1 377 . 1 1 42 42 VAL HG21 H 1 1.069 0.000 . . . . . . . . . . 6532 1 378 . 1 1 42 42 VAL HG22 H 1 1.069 0.000 . . . . . . . . . . 6532 1 379 . 1 1 42 42 VAL HG23 H 1 1.069 0.000 . . . . . . . . . . 6532 1 380 . 1 1 42 42 VAL CA C 13 63.517 0.000 . . . . . . . . . . 6532 1 381 . 1 1 42 42 VAL CB C 13 28.036 0.000 . . . . . . . . . . 6532 1 382 . 1 1 42 42 VAL CG1 C 13 20.858 0.000 . . . . . . . . . . 6532 1 383 . 1 1 42 42 VAL CG2 C 13 18.530 0.000 . . . . . . . . . . 6532 1 384 . 1 1 42 42 VAL N N 15 115.696 0.000 . . . . . . . . . . 6532 1 385 . 1 1 43 43 THR H H 1 7.862 0.000 . . . . . . . . . . 6532 1 386 . 1 1 43 43 THR HA H 1 3.587 0.000 . . . . . . . . . . 6532 1 387 . 1 1 43 43 THR HB H 1 4.074 0.000 . . . . . . . . . . 6532 1 388 . 1 1 43 43 THR HG21 H 1 1.049 0.000 . . . . . . . . . . 6532 1 389 . 1 1 43 43 THR HG22 H 1 1.049 0.000 . . . . . . . . . . 6532 1 390 . 1 1 43 43 THR HG23 H 1 1.049 0.000 . . . . . . . . . . 6532 1 391 . 1 1 43 43 THR CA C 13 63.763 0.000 . . . . . . . . . . 6532 1 392 . 1 1 43 43 THR CB C 13 66.202 0.000 . . . . . . . . . . 6532 1 393 . 1 1 43 43 THR CG2 C 13 18.276 0.000 . . . . . . . . . . 6532 1 394 . 1 1 43 43 THR N N 15 115.136 0.000 . . . . . . . . . . 6532 1 395 . 1 1 44 44 GLN H H 1 7.888 0.000 . . . . . . . . . . 6532 1 396 . 1 1 44 44 GLN HA H 1 4.041 0.000 . . . . . . . . . . 6532 1 397 . 1 1 44 44 GLN HB2 H 1 2.061 0.000 . . . . . . . . . . 6532 1 398 . 1 1 44 44 GLN HB3 H 1 2.061 0.000 . . . . . . . . . . 6532 1 399 . 1 1 44 44 GLN HG2 H 1 2.339 0.000 . . . . . . . . . . 6532 1 400 . 1 1 44 44 GLN HG3 H 1 2.279 0.000 . . . . . . . . . . 6532 1 401 . 1 1 44 44 GLN CA C 13 55.355 0.000 . . . . . . . . . . 6532 1 402 . 1 1 44 44 GLN CB C 13 26.885 0.000 . . . . . . . . . . 6532 1 403 . 1 1 44 44 GLN CG C 13 31.232 0.000 . . . . . . . . . . 6532 1 404 . 1 1 44 44 GLN N N 15 116.305 0.000 . . . . . . . . . . 6532 1 405 . 1 1 45 45 GLN H H 1 8.419 0.000 . . . . . . . . . . 6532 1 406 . 1 1 45 45 GLN HA H 1 4.614 0.000 . . . . . . . . . . 6532 1 407 . 1 1 45 45 GLN HB2 H 1 2.026 0.000 . . . . . . . . . . 6532 1 408 . 1 1 45 45 GLN HB3 H 1 2.026 0.000 . . . . . . . . . . 6532 1 409 . 1 1 45 45 GLN HG2 H 1 2.303 0.000 . . . . . . . . . . 6532 1 410 . 1 1 45 45 GLN HG3 H 1 2.254 0.000 . . . . . . . . . . 6532 1 411 . 1 1 45 45 GLN HE21 H 1 7.551 0.000 . . . . . . . . . . 6532 1 412 . 1 1 45 45 GLN HE22 H 1 6.721 0.000 . . . . . . . . . . 6532 1 413 . 1 1 45 45 GLN CA C 13 53.408 0.000 . . . . . . . . . . 6532 1 414 . 1 1 45 45 GLN CB C 13 27.531 0.000 . . . . . . . . . . 6532 1 415 . 1 1 45 45 GLN CG C 13 31.268 0.000 . . . . . . . . . . 6532 1 416 . 1 1 45 45 GLN N N 15 112.691 0.000 . . . . . . . . . . 6532 1 417 . 1 1 45 45 GLN NE2 N 15 112.268 0.000 . . . . . . . . . . 6532 1 418 . 1 1 46 46 LEU H H 1 8.021 0.000 . . . . . . . . . . 6532 1 419 . 1 1 46 46 LEU HA H 1 5.070 0.000 . . . . . . . . . . 6532 1 420 . 1 1 46 46 LEU HB2 H 1 1.573 0.000 . . . . . . . . . . 6532 1 421 . 1 1 46 46 LEU HB3 H 1 1.512 0.000 . . . . . . . . . . 6532 1 422 . 1 1 46 46 LEU HG H 1 1.678 0.000 . . . . . . . . . . 6532 1 423 . 1 1 46 46 LEU HD11 H 1 0.759 0.000 . . . . . . . . . . 6532 1 424 . 1 1 46 46 LEU HD12 H 1 0.759 0.000 . . . . . . . . . . 6532 1 425 . 1 1 46 46 LEU HD13 H 1 0.759 0.000 . . . . . . . . . . 6532 1 426 . 1 1 46 46 LEU HD21 H 1 0.745 0.000 . . . . . . . . . . 6532 1 427 . 1 1 46 46 LEU HD22 H 1 0.745 0.000 . . . . . . . . . . 6532 1 428 . 1 1 46 46 LEU HD23 H 1 0.745 0.000 . . . . . . . . . . 6532 1 429 . 1 1 46 46 LEU CA C 13 50.853 0.000 . . . . . . . . . . 6532 1 430 . 1 1 46 46 LEU CB C 13 39.152 0.000 . . . . . . . . . . 6532 1 431 . 1 1 46 46 LEU CG C 13 29.176 0.000 . . . . . . . . . . 6532 1 432 . 1 1 46 46 LEU CD1 C 13 23.687 0.000 . . . . . . . . . . 6532 1 433 . 1 1 46 46 LEU CD2 C 13 22.642 0.000 . . . . . . . . . . 6532 1 434 . 1 1 46 46 LEU N N 15 119.437 0.000 . . . . . . . . . . 6532 1 435 . 1 1 47 47 PRO HA H 1 4.062 0.000 . . . . . . . . . . 6532 1 436 . 1 1 47 47 PRO HB2 H 1 1.465 0.000 . . . . . . . . . . 6532 1 437 . 1 1 47 47 PRO HB3 H 1 1.465 0.000 . . . . . . . . . . 6532 1 438 . 1 1 47 47 PRO HG2 H 1 1.699 0.000 . . . . . . . . . . 6532 1 439 . 1 1 47 47 PRO HG3 H 1 1.699 0.000 . . . . . . . . . . 6532 1 440 . 1 1 47 47 PRO HD2 H 1 3.017 0.000 . . . . . . . . . . 6532 1 441 . 1 1 47 47 PRO HD3 H 1 3.017 0.000 . . . . . . . . . . 6532 1 442 . 1 1 47 47 PRO CA C 13 63.150 0.000 . . . . . . . . . . 6532 1 443 . 1 1 47 47 PRO CB C 13 28.100 0.000 . . . . . . . . . . 6532 1 444 . 1 1 47 47 PRO CG C 13 23.901 0.000 . . . . . . . . . . 6532 1 445 . 1 1 47 47 PRO CD C 13 47.408 0.000 . . . . . . . . . . 6532 1 446 . 1 1 48 48 HIS H H 1 9.796 0.000 . . . . . . . . . . 6532 1 447 . 1 1 48 48 HIS HA H 1 4.271 0.000 . . . . . . . . . . 6532 1 448 . 1 1 48 48 HIS HB2 H 1 3.263 0.000 . . . . . . . . . . 6532 1 449 . 1 1 48 48 HIS HB3 H 1 3.044 0.000 . . . . . . . . . . 6532 1 450 . 1 1 48 48 HIS CA C 13 56.589 0.000 . . . . . . . . . . 6532 1 451 . 1 1 48 48 HIS CB C 13 24.348 0.000 . . . . . . . . . . 6532 1 452 . 1 1 48 48 HIS N N 15 118.467 0.000 . . . . . . . . . . 6532 1 453 . 1 1 50 50 LEU H H 1 7.848 0.000 . . . . . . . . . . 6532 1 454 . 1 1 50 50 LEU HA H 1 4.177 0.000 . . . . . . . . . . 6532 1 455 . 1 1 50 50 LEU HB2 H 1 1.491 0.000 . . . . . . . . . . 6532 1 456 . 1 1 50 50 LEU HB3 H 1 1.413 0.000 . . . . . . . . . . 6532 1 457 . 1 1 50 50 LEU HG H 1 1.697 0.000 . . . . . . . . . . 6532 1 458 . 1 1 50 50 LEU HD11 H 1 0.770 0.000 . . . . . . . . . . 6532 1 459 . 1 1 50 50 LEU HD12 H 1 0.770 0.000 . . . . . . . . . . 6532 1 460 . 1 1 50 50 LEU HD13 H 1 0.770 0.000 . . . . . . . . . . 6532 1 461 . 1 1 50 50 LEU HD21 H 1 0.707 0.000 . . . . . . . . . . 6532 1 462 . 1 1 50 50 LEU HD22 H 1 0.707 0.000 . . . . . . . . . . 6532 1 463 . 1 1 50 50 LEU HD23 H 1 0.707 0.000 . . . . . . . . . . 6532 1 464 . 1 1 50 50 LEU CA C 13 52.389 0.000 . . . . . . . . . . 6532 1 465 . 1 1 50 50 LEU CB C 13 38.983 0.000 . . . . . . . . . . 6532 1 466 . 1 1 50 50 LEU CG C 13 26.310 0.000 . . . . . . . . . . 6532 1 467 . 1 1 50 50 LEU CD1 C 13 22.230 0.000 . . . . . . . . . . 6532 1 468 . 1 1 50 50 LEU CD2 C 13 21.231 0.000 . . . . . . . . . . 6532 1 469 . 1 1 50 50 LEU N N 15 121.964 0.000 . . . . . . . . . . 6532 1 470 . 1 1 51 51 LYS H H 1 7.293 0.000 . . . . . . . . . . 6532 1 471 . 1 1 51 51 LYS HA H 1 3.941 0.000 . . . . . . . . . . 6532 1 472 . 1 1 51 51 LYS HB2 H 1 1.779 0.000 . . . . . . . . . . 6532 1 473 . 1 1 51 51 LYS HB3 H 1 1.730 0.000 . . . . . . . . . . 6532 1 474 . 1 1 51 51 LYS HG2 H 1 1.326 0.000 . . . . . . . . . . 6532 1 475 . 1 1 51 51 LYS HG3 H 1 1.387 0.000 . . . . . . . . . . 6532 1 476 . 1 1 51 51 LYS HD2 H 1 1.567 0.000 . . . . . . . . . . 6532 1 477 . 1 1 51 51 LYS HD3 H 1 1.528 0.000 . . . . . . . . . . 6532 1 478 . 1 1 51 51 LYS HE2 H 1 2.870 0.000 . . . . . . . . . . 6532 1 479 . 1 1 51 51 LYS HE3 H 1 2.870 0.000 . . . . . . . . . . 6532 1 480 . 1 1 51 51 LYS CA C 13 55.826 0.000 . . . . . . . . . . 6532 1 481 . 1 1 51 51 LYS CB C 13 29.433 0.000 . . . . . . . . . . 6532 1 482 . 1 1 51 51 LYS CG C 13 21.675 0.000 . . . . . . . . . . 6532 1 483 . 1 1 51 51 LYS CD C 13 26.340 0.000 . . . . . . . . . . 6532 1 484 . 1 1 51 51 LYS CE C 13 39.350 0.000 . . . . . . . . . . 6532 1 485 . 1 1 51 51 LYS N N 15 119.167 0.000 . . . . . . . . . . 6532 1 486 . 1 1 52 52 ASP H H 1 7.787 0.000 . . . . . . . . . . 6532 1 487 . 1 1 52 52 ASP HA H 1 4.616 0.000 . . . . . . . . . . 6532 1 488 . 1 1 52 52 ASP HB2 H 1 2.676 0.000 . . . . . . . . . . 6532 1 489 . 1 1 52 52 ASP HB3 H 1 2.676 0.000 . . . . . . . . . . 6532 1 490 . 1 1 52 52 ASP CA C 13 52.420 0.000 . . . . . . . . . . 6532 1 491 . 1 1 52 52 ASP CB C 13 38.741 0.000 . . . . . . . . . . 6532 1 492 . 1 1 52 52 ASP N N 15 116.963 0.000 . . . . . . . . . . 6532 1 493 . 1 1 53 53 VAL H H 1 7.699 0.000 . . . . . . . . . . 6532 1 494 . 1 1 53 53 VAL HA H 1 3.799 0.000 . . . . . . . . . . 6532 1 495 . 1 1 53 53 VAL HB H 1 2.012 0.000 . . . . . . . . . . 6532 1 496 . 1 1 53 53 VAL HG11 H 1 0.800 0.000 . . . . . . . . . . 6532 1 497 . 1 1 53 53 VAL HG12 H 1 0.800 0.000 . . . . . . . . . . 6532 1 498 . 1 1 53 53 VAL HG13 H 1 0.800 0.000 . . . . . . . . . . 6532 1 499 . 1 1 53 53 VAL HG21 H 1 0.718 0.000 . . . . . . . . . . 6532 1 500 . 1 1 53 53 VAL HG22 H 1 0.718 0.000 . . . . . . . . . . 6532 1 501 . 1 1 53 53 VAL HG23 H 1 0.718 0.000 . . . . . . . . . . 6532 1 502 . 1 1 53 53 VAL CA C 13 60.787 0.000 . . . . . . . . . . 6532 1 503 . 1 1 53 53 VAL CB C 13 29.590 0.000 . . . . . . . . . . 6532 1 504 . 1 1 53 53 VAL CG1 C 13 18.954 0.000 . . . . . . . . . . 6532 1 505 . 1 1 53 53 VAL CG2 C 13 17.931 0.000 . . . . . . . . . . 6532 1 506 . 1 1 53 53 VAL N N 15 119.010 0.000 . . . . . . . . . . 6532 1 507 . 1 1 54 54 GLY H H 1 8.178 0.000 . . . . . . . . . . 6532 1 508 . 1 1 54 54 GLY HA2 H 1 3.974 0.000 . . . . . . . . . . 6532 1 509 . 1 1 54 54 GLY HA3 H 1 3.597 0.000 . . . . . . . . . . 6532 1 510 . 1 1 54 54 GLY CA C 13 42.775 0.000 . . . . . . . . . . 6532 1 511 . 1 1 54 54 GLY N N 15 110.417 0.000 . . . . . . . . . . 6532 1 512 . 1 1 55 55 SER H H 1 8.003 0.000 . . . . . . . . . . 6532 1 513 . 1 1 55 55 SER HA H 1 4.347 0.000 . . . . . . . . . . 6532 1 514 . 1 1 55 55 SER HB2 H 1 3.931 0.000 . . . . . . . . . . 6532 1 515 . 1 1 55 55 SER HB3 H 1 3.931 0.000 . . . . . . . . . . 6532 1 516 . 1 1 55 55 SER CA C 13 54.990 0.000 . . . . . . . . . . 6532 1 517 . 1 1 55 55 SER CB C 13 60.586 0.000 . . . . . . . . . . 6532 1 518 . 1 1 55 55 SER N N 15 114.965 0.000 . . . . . . . . . . 6532 1 519 . 1 1 56 56 LEU H H 1 8.744 0.000 . . . . . . . . . . 6532 1 520 . 1 1 56 56 LEU HA H 1 3.904 0.000 . . . . . . . . . . 6532 1 521 . 1 1 56 56 LEU HB2 H 1 1.528 0.000 . . . . . . . . . . 6532 1 522 . 1 1 56 56 LEU HB3 H 1 1.580 0.000 . . . . . . . . . . 6532 1 523 . 1 1 56 56 LEU HG H 1 1.663 0.000 . . . . . . . . . . 6532 1 524 . 1 1 56 56 LEU HD11 H 1 0.762 0.000 . . . . . . . . . . 6532 1 525 . 1 1 56 56 LEU HD12 H 1 0.762 0.000 . . . . . . . . . . 6532 1 526 . 1 1 56 56 LEU HD13 H 1 0.762 0.000 . . . . . . . . . . 6532 1 527 . 1 1 56 56 LEU HD21 H 1 0.709 0.000 . . . . . . . . . . 6532 1 528 . 1 1 56 56 LEU HD22 H 1 0.709 0.000 . . . . . . . . . . 6532 1 529 . 1 1 56 56 LEU HD23 H 1 0.709 0.000 . . . . . . . . . . 6532 1 530 . 1 1 56 56 LEU CA C 13 55.037 0.000 . . . . . . . . . . 6532 1 531 . 1 1 56 56 LEU CB C 13 38.536 0.000 . . . . . . . . . . 6532 1 532 . 1 1 56 56 LEU CG C 13 30.783 0.000 . . . . . . . . . . 6532 1 533 . 1 1 56 56 LEU CD1 C 13 22.093 0.000 . . . . . . . . . . 6532 1 534 . 1 1 56 56 LEU CD2 C 13 21.290 0.000 . . . . . . . . . . 6532 1 535 . 1 1 56 56 LEU N N 15 129.644 0.000 . . . . . . . . . . 6532 1 536 . 1 1 57 57 ASP H H 1 8.254 0.000 . . . . . . . . . . 6532 1 537 . 1 1 57 57 ASP HA H 1 4.156 0.000 . . . . . . . . . . 6532 1 538 . 1 1 57 57 ASP HB2 H 1 2.483 0.000 . . . . . . . . . . 6532 1 539 . 1 1 57 57 ASP HB3 H 1 2.425 0.000 . . . . . . . . . . 6532 1 540 . 1 1 57 57 ASP CA C 13 55.006 0.000 . . . . . . . . . . 6532 1 541 . 1 1 57 57 ASP CB C 13 37.645 0.000 . . . . . . . . . . 6532 1 542 . 1 1 57 57 ASP N N 15 119.095 0.000 . . . . . . . . . . 6532 1 543 . 1 1 58 58 GLU H H 1 7.805 0.000 . . . . . . . . . . 6532 1 544 . 1 1 58 58 GLU HA H 1 3.913 0.000 . . . . . . . . . . 6532 1 545 . 1 1 58 58 GLU HB2 H 1 1.916 0.000 . . . . . . . . . . 6532 1 546 . 1 1 58 58 GLU HB3 H 1 1.916 0.000 . . . . . . . . . . 6532 1 547 . 1 1 58 58 GLU HG2 H 1 2.256 0.000 . . . . . . . . . . 6532 1 548 . 1 1 58 58 GLU HG3 H 1 2.178 0.000 . . . . . . . . . . 6532 1 549 . 1 1 58 58 GLU CA C 13 55.988 0.000 . . . . . . . . . . 6532 1 550 . 1 1 58 58 GLU CB C 13 26.437 0.000 . . . . . . . . . . 6532 1 551 . 1 1 58 58 GLU CG C 13 33.045 0.000 . . . . . . . . . . 6532 1 552 . 1 1 58 58 GLU N N 15 119.450 0.000 . . . . . . . . . . 6532 1 553 . 1 1 59 59 LYS H H 1 7.778 0.000 . . . . . . . . . . 6532 1 554 . 1 1 59 59 LYS HA H 1 4.083 0.000 . . . . . . . . . . 6532 1 555 . 1 1 59 59 LYS HB2 H 1 1.693 0.000 . . . . . . . . . . 6532 1 556 . 1 1 59 59 LYS HB3 H 1 1.735 0.000 . . . . . . . . . . 6532 1 557 . 1 1 59 59 LYS HG2 H 1 1.243 0.000 . . . . . . . . . . 6532 1 558 . 1 1 59 59 LYS HG3 H 1 1.309 0.000 . . . . . . . . . . 6532 1 559 . 1 1 59 59 LYS HD2 H 1 1.661 0.000 . . . . . . . . . . 6532 1 560 . 1 1 59 59 LYS HD3 H 1 1.612 0.000 . . . . . . . . . . 6532 1 561 . 1 1 59 59 LYS HE2 H 1 2.887 0.000 . . . . . . . . . . 6532 1 562 . 1 1 59 59 LYS HE3 H 1 2.887 0.000 . . . . . . . . . . 6532 1 563 . 1 1 59 59 LYS CA C 13 54.740 0.000 . . . . . . . . . . 6532 1 564 . 1 1 59 59 LYS CB C 13 28.810 0.000 . . . . . . . . . . 6532 1 565 . 1 1 59 59 LYS CG C 13 21.786 0.000 . . . . . . . . . . 6532 1 566 . 1 1 59 59 LYS CD C 13 31.115 0.000 . . . . . . . . . . 6532 1 567 . 1 1 59 59 LYS CE C 13 39.164 0.000 . . . . . . . . . . 6532 1 568 . 1 1 59 59 LYS N N 15 120.233 0.000 . . . . . . . . . . 6532 1 569 . 1 1 60 60 MET H H 1 8.413 0.000 . . . . . . . . . . 6532 1 570 . 1 1 60 60 MET HA H 1 3.910 0.000 . . . . . . . . . . 6532 1 571 . 1 1 60 60 MET HB2 H 1 1.786 0.000 . . . . . . . . . . 6532 1 572 . 1 1 60 60 MET HB3 H 1 1.786 0.000 . . . . . . . . . . 6532 1 573 . 1 1 60 60 MET HG2 H 1 2.134 0.000 . . . . . . . . . . 6532 1 574 . 1 1 60 60 MET HG3 H 1 2.134 0.000 . . . . . . . . . . 6532 1 575 . 1 1 60 60 MET CA C 13 55.946 0.000 . . . . . . . . . . 6532 1 576 . 1 1 60 60 MET CB C 13 28.927 0.000 . . . . . . . . . . 6532 1 577 . 1 1 60 60 MET CG C 13 33.179 0.000 . . . . . . . . . . 6532 1 578 . 1 1 60 60 MET N N 15 117.105 0.000 . . . . . . . . . . 6532 1 579 . 1 1 61 61 LYS H H 1 7.704 0.000 . . . . . . . . . . 6532 1 580 . 1 1 61 61 LYS HA H 1 4.061 0.000 . . . . . . . . . . 6532 1 581 . 1 1 61 61 LYS HB2 H 1 1.847 0.000 . . . . . . . . . . 6532 1 582 . 1 1 61 61 LYS HB3 H 1 1.806 0.000 . . . . . . . . . . 6532 1 583 . 1 1 61 61 LYS HG2 H 1 1.271 0.000 . . . . . . . . . . 6532 1 584 . 1 1 61 61 LYS HG3 H 1 1.349 0.000 . . . . . . . . . . 6532 1 585 . 1 1 61 61 LYS HD2 H 1 1.595 0.000 . . . . . . . . . . 6532 1 586 . 1 1 61 61 LYS HD3 H 1 1.543 0.000 . . . . . . . . . . 6532 1 587 . 1 1 61 61 LYS HE2 H 1 2.838 0.000 . . . . . . . . . . 6532 1 588 . 1 1 61 61 LYS HE3 H 1 2.838 0.000 . . . . . . . . . . 6532 1 589 . 1 1 61 61 LYS CA C 13 56.655 0.000 . . . . . . . . . . 6532 1 590 . 1 1 61 61 LYS CB C 13 29.185 0.000 . . . . . . . . . . 6532 1 591 . 1 1 61 61 LYS CG C 13 22.095 0.000 . . . . . . . . . . 6532 1 592 . 1 1 61 61 LYS CD C 13 26.294 0.000 . . . . . . . . . . 6532 1 593 . 1 1 61 61 LYS CE C 13 38.889 0.000 . . . . . . . . . . 6532 1 594 . 1 1 61 61 LYS N N 15 119.702 0.000 . . . . . . . . . . 6532 1 595 . 1 1 62 62 SER H H 1 7.959 0.000 . . . . . . . . . . 6532 1 596 . 1 1 62 62 SER HA H 1 4.240 0.000 . . . . . . . . . . 6532 1 597 . 1 1 62 62 SER HB2 H 1 3.921 0.000 . . . . . . . . . . 6532 1 598 . 1 1 62 62 SER HB3 H 1 3.921 0.000 . . . . . . . . . . 6532 1 599 . 1 1 62 62 SER CA C 13 58.000 0.000 . . . . . . . . . . 6532 1 600 . 1 1 62 62 SER CB C 13 60.290 0.000 . . . . . . . . . . 6532 1 601 . 1 1 62 62 SER N N 15 115.752 0.000 . . . . . . . . . . 6532 1 602 . 1 1 63 63 LEU H H 1 7.312 0.000 . . . . . . . . . . 6532 1 603 . 1 1 63 63 LEU HA H 1 4.272 0.000 . . . . . . . . . . 6532 1 604 . 1 1 63 63 LEU HB2 H 1 1.594 0.000 . . . . . . . . . . 6532 1 605 . 1 1 63 63 LEU HB3 H 1 1.515 0.000 . . . . . . . . . . 6532 1 606 . 1 1 63 63 LEU HG H 1 1.668 0.000 . . . . . . . . . . 6532 1 607 . 1 1 63 63 LEU HD11 H 1 0.640 0.000 . . . . . . . . . . 6532 1 608 . 1 1 63 63 LEU HD12 H 1 0.640 0.000 . . . . . . . . . . 6532 1 609 . 1 1 63 63 LEU HD13 H 1 0.640 0.000 . . . . . . . . . . 6532 1 610 . 1 1 63 63 LEU CA C 13 51.855 0.000 . . . . . . . . . . 6532 1 611 . 1 1 63 63 LEU CB C 13 39.475 0.000 . . . . . . . . . . 6532 1 612 . 1 1 63 63 LEU CG C 13 22.925 0.000 . . . . . . . . . . 6532 1 613 . 1 1 63 63 LEU CD1 C 13 19.906 0.000 . . . . . . . . . . 6532 1 614 . 1 1 63 63 LEU N N 15 121.367 0.000 . . . . . . . . . . 6532 1 615 . 1 1 64 64 ASP H H 1 7.973 0.000 . . . . . . . . . . 6532 1 616 . 1 1 64 64 ASP HA H 1 4.232 0.000 . . . . . . . . . . 6532 1 617 . 1 1 64 64 ASP HB2 H 1 2.525 0.000 . . . . . . . . . . 6532 1 618 . 1 1 64 64 ASP HB3 H 1 2.895 0.000 . . . . . . . . . . 6532 1 619 . 1 1 64 64 ASP CA C 13 52.513 0.000 . . . . . . . . . . 6532 1 620 . 1 1 64 64 ASP CB C 13 36.406 0.000 . . . . . . . . . . 6532 1 621 . 1 1 64 64 ASP N N 15 117.005 0.000 . . . . . . . . . . 6532 1 622 . 1 1 65 65 VAL H H 1 7.570 0.000 . . . . . . . . . . 6532 1 623 . 1 1 65 65 VAL HA H 1 3.897 0.000 . . . . . . . . . . 6532 1 624 . 1 1 65 65 VAL HB H 1 1.740 0.000 . . . . . . . . . . 6532 1 625 . 1 1 65 65 VAL HG11 H 1 0.656 0.000 . . . . . . . . . . 6532 1 626 . 1 1 65 65 VAL HG12 H 1 0.656 0.000 . . . . . . . . . . 6532 1 627 . 1 1 65 65 VAL HG13 H 1 0.656 0.000 . . . . . . . . . . 6532 1 628 . 1 1 65 65 VAL HG21 H 1 0.708 0.000 . . . . . . . . . . 6532 1 629 . 1 1 65 65 VAL HG22 H 1 0.708 0.000 . . . . . . . . . . 6532 1 630 . 1 1 65 65 VAL HG23 H 1 0.708 0.000 . . . . . . . . . . 6532 1 631 . 1 1 65 65 VAL CA C 13 59.239 0.000 . . . . . . . . . . 6532 1 632 . 1 1 65 65 VAL CB C 13 29.333 0.000 . . . . . . . . . . 6532 1 633 . 1 1 65 65 VAL CG1 C 13 18.674 0.000 . . . . . . . . . . 6532 1 634 . 1 1 65 65 VAL CG2 C 13 19.031 0.000 . . . . . . . . . . 6532 1 635 . 1 1 65 65 VAL N N 15 117.722 0.000 . . . . . . . . . . 6532 1 636 . 1 1 66 66 ASN H H 1 8.601 0.000 . . . . . . . . . . 6532 1 637 . 1 1 66 66 ASN HA H 1 4.632 0.000 . . . . . . . . . . 6532 1 638 . 1 1 66 66 ASN HB2 H 1 2.749 0.000 . . . . . . . . . . 6532 1 639 . 1 1 66 66 ASN HB3 H 1 2.749 0.000 . . . . . . . . . . 6532 1 640 . 1 1 66 66 ASN HD21 H 1 7.598 0.000 . . . . . . . . . . 6532 1 641 . 1 1 66 66 ASN HD22 H 1 6.920 0.000 . . . . . . . . . . 6532 1 642 . 1 1 66 66 ASN CA C 13 49.772 0.000 . . . . . . . . . . 6532 1 643 . 1 1 66 66 ASN CB C 13 36.674 0.000 . . . . . . . . . . 6532 1 644 . 1 1 66 66 ASN N N 15 125.041 0.000 . . . . . . . . . . 6532 1 645 . 1 1 66 66 ASN ND2 N 15 113.580 0.000 . . . . . . . . . . 6532 1 646 . 1 1 67 67 GLN H H 1 8.646 0.000 . . . . . . . . . . 6532 1 647 . 1 1 67 67 GLN HA H 1 3.926 0.000 . . . . . . . . . . 6532 1 648 . 1 1 67 67 GLN HB2 H 1 2.043 0.000 . . . . . . . . . . 6532 1 649 . 1 1 67 67 GLN HB3 H 1 1.982 0.000 . . . . . . . . . . 6532 1 650 . 1 1 67 67 GLN HG2 H 1 2.309 0.000 . . . . . . . . . . 6532 1 651 . 1 1 67 67 GLN HG3 H 1 2.264 0.000 . . . . . . . . . . 6532 1 652 . 1 1 67 67 GLN HE21 H 1 6.812 0.000 . . . . . . . . . . 6532 1 653 . 1 1 67 67 GLN HE22 H 1 7.546 0.000 . . . . . . . . . . 6532 1 654 . 1 1 67 67 GLN CA C 13 55.484 0.000 . . . . . . . . . . 6532 1 655 . 1 1 67 67 GLN CB C 13 25.597 0.000 . . . . . . . . . . 6532 1 656 . 1 1 67 67 GLN CG C 13 30.765 0.000 . . . . . . . . . . 6532 1 657 . 1 1 67 67 GLN N N 15 120.733 0.000 . . . . . . . . . . 6532 1 658 . 1 1 67 67 GLN NE2 N 15 110.924 0.000 . . . . . . . . . . 6532 1 659 . 1 1 68 68 ASP H H 1 8.249 0.000 . . . . . . . . . . 6532 1 660 . 1 1 68 68 ASP HA H 1 4.695 0.000 . . . . . . . . . . 6532 1 661 . 1 1 68 68 ASP HB2 H 1 2.591 0.000 . . . . . . . . . . 6532 1 662 . 1 1 68 68 ASP HB3 H 1 2.709 0.000 . . . . . . . . . . 6532 1 663 . 1 1 68 68 ASP CA C 13 51.096 0.000 . . . . . . . . . . 6532 1 664 . 1 1 68 68 ASP CB C 13 38.220 0.000 . . . . . . . . . . 6532 1 665 . 1 1 68 68 ASP N N 15 117.332 0.000 . . . . . . . . . . 6532 1 666 . 1 1 69 69 SER H H 1 7.573 0.000 . . . . . . . . . . 6532 1 667 . 1 1 69 69 SER HA H 1 4.328 0.000 . . . . . . . . . . 6532 1 668 . 1 1 69 69 SER HB2 H 1 3.768 0.000 . . . . . . . . . . 6532 1 669 . 1 1 69 69 SER HB3 H 1 3.768 0.000 . . . . . . . . . . 6532 1 670 . 1 1 69 69 SER CA C 13 56.762 0.000 . . . . . . . . . . 6532 1 671 . 1 1 69 69 SER CB C 13 61.715 0.000 . . . . . . . . . . 6532 1 672 . 1 1 69 69 SER N N 15 115.788 0.000 . . . . . . . . . . 6532 1 673 . 1 1 70 70 GLU H H 1 8.442 0.000 . . . . . . . . . . 6532 1 674 . 1 1 70 70 GLU HA H 1 4.428 0.000 . . . . . . . . . . 6532 1 675 . 1 1 70 70 GLU HB2 H 1 1.777 0.000 . . . . . . . . . . 6532 1 676 . 1 1 70 70 GLU HB3 H 1 1.777 0.000 . . . . . . . . . . 6532 1 677 . 1 1 70 70 GLU HG2 H 1 1.966 0.000 . . . . . . . . . . 6532 1 678 . 1 1 70 70 GLU HG3 H 1 2.093 0.000 . . . . . . . . . . 6532 1 679 . 1 1 70 70 GLU CA C 13 52.977 0.000 . . . . . . . . . . 6532 1 680 . 1 1 70 70 GLU CB C 13 28.289 0.000 . . . . . . . . . . 6532 1 681 . 1 1 70 70 GLU CG C 13 33.392 0.000 . . . . . . . . . . 6532 1 682 . 1 1 70 70 GLU N N 15 122.015 0.000 . . . . . . . . . . 6532 1 683 . 1 1 71 71 LEU H H 1 9.347 0.000 . . . . . . . . . . 6532 1 684 . 1 1 71 71 LEU HA H 1 4.436 0.000 . . . . . . . . . . 6532 1 685 . 1 1 71 71 LEU HB2 H 1 1.849 0.000 . . . . . . . . . . 6532 1 686 . 1 1 71 71 LEU HB3 H 1 1.194 0.000 . . . . . . . . . . 6532 1 687 . 1 1 71 71 LEU HG H 1 1.422 0.000 . . . . . . . . . . 6532 1 688 . 1 1 71 71 LEU HD11 H 1 0.401 0.000 . . . . . . . . . . 6532 1 689 . 1 1 71 71 LEU HD12 H 1 0.401 0.000 . . . . . . . . . . 6532 1 690 . 1 1 71 71 LEU HD13 H 1 0.401 0.000 . . . . . . . . . . 6532 1 691 . 1 1 71 71 LEU CA C 13 52.729 0.000 . . . . . . . . . . 6532 1 692 . 1 1 71 71 LEU CB C 13 39.754 0.000 . . . . . . . . . . 6532 1 693 . 1 1 71 71 LEU CG C 13 23.714 0.000 . . . . . . . . . . 6532 1 694 . 1 1 71 71 LEU CD1 C 13 23.611 0.000 . . . . . . . . . . 6532 1 695 . 1 1 71 71 LEU CD2 C 13 21.425 0.000 . . . . . . . . . . 6532 1 696 . 1 1 71 71 LEU N N 15 124.856 0.000 . . . . . . . . . . 6532 1 697 . 1 1 72 72 LYS H H 1 8.391 0.000 . . . . . . . . . . 6532 1 698 . 1 1 72 72 LYS HA H 1 4.836 0.000 . . . . . . . . . . 6532 1 699 . 1 1 72 72 LYS HB2 H 1 1.959 0.000 . . . . . . . . . . 6532 1 700 . 1 1 72 72 LYS HB3 H 1 1.959 0.000 . . . . . . . . . . 6532 1 701 . 1 1 72 72 LYS HG2 H 1 1.497 0.000 . . . . . . . . . . 6532 1 702 . 1 1 72 72 LYS HG3 H 1 1.497 0.000 . . . . . . . . . . 6532 1 703 . 1 1 72 72 LYS HD2 H 1 1.699 0.000 . . . . . . . . . . 6532 1 704 . 1 1 72 72 LYS HD3 H 1 1.699 0.000 . . . . . . . . . . 6532 1 705 . 1 1 72 72 LYS HE2 H 1 2.951 0.000 . . . . . . . . . . 6532 1 706 . 1 1 72 72 LYS HE3 H 1 2.951 0.000 . . . . . . . . . . 6532 1 707 . 1 1 72 72 LYS CA C 13 52.795 0.000 . . . . . . . . . . 6532 1 708 . 1 1 72 72 LYS CB C 13 30.116 0.000 . . . . . . . . . . 6532 1 709 . 1 1 72 72 LYS CG C 13 22.748 0.000 . . . . . . . . . . 6532 1 710 . 1 1 72 72 LYS CD C 13 26.003 0.000 . . . . . . . . . . 6532 1 711 . 1 1 72 72 LYS CE C 13 39.225 0.000 . . . . . . . . . . 6532 1 712 . 1 1 72 72 LYS N N 15 122.221 0.000 . . . . . . . . . . 6532 1 713 . 1 1 73 73 PHE H H 1 9.321 0.000 . . . . . . . . . . 6532 1 714 . 1 1 73 73 PHE HA H 1 3.546 0.000 . . . . . . . . . . 6532 1 715 . 1 1 73 73 PHE HB2 H 1 2.720 0.000 . . . . . . . . . . 6532 1 716 . 1 1 73 73 PHE HB3 H 1 2.720 0.000 . . . . . . . . . . 6532 1 717 . 1 1 73 73 PHE CA C 13 60.289 0.000 . . . . . . . . . . 6532 1 718 . 1 1 73 73 PHE CB C 13 36.033 0.000 . . . . . . . . . . 6532 1 719 . 1 1 73 73 PHE N N 15 122.067 0.000 . . . . . . . . . . 6532 1 720 . 1 1 74 74 ASN H H 1 8.676 0.000 . . . . . . . . . . 6532 1 721 . 1 1 74 74 ASN HA H 1 3.927 0.000 . . . . . . . . . . 6532 1 722 . 1 1 74 74 ASN HB2 H 1 2.676 0.000 . . . . . . . . . . 6532 1 723 . 1 1 74 74 ASN HB3 H 1 2.676 0.000 . . . . . . . . . . 6532 1 724 . 1 1 74 74 ASN HD21 H 1 6.973 0.000 . . . . . . . . . . 6532 1 725 . 1 1 74 74 ASN HD22 H 1 7.654 0.000 . . . . . . . . . . 6532 1 726 . 1 1 74 74 ASN CA C 13 54.190 0.000 . . . . . . . . . . 6532 1 727 . 1 1 74 74 ASN CB C 13 34.882 0.000 . . . . . . . . . . 6532 1 728 . 1 1 74 74 ASN N N 15 113.655 0.000 . . . . . . . . . . 6532 1 729 . 1 1 74 74 ASN ND2 N 15 113.472 0.000 . . . . . . . . . . 6532 1 730 . 1 1 75 75 GLU H H 1 7.303 0.000 . . . . . . . . . . 6532 1 731 . 1 1 75 75 GLU HA H 1 4.177 0.000 . . . . . . . . . . 6532 1 732 . 1 1 75 75 GLU HB2 H 1 2.104 0.000 . . . . . . . . . . 6532 1 733 . 1 1 75 75 GLU HB3 H 1 2.104 0.000 . . . . . . . . . . 6532 1 734 . 1 1 75 75 GLU HG2 H 1 2.329 0.000 . . . . . . . . . . 6532 1 735 . 1 1 75 75 GLU HG3 H 1 2.329 0.000 . . . . . . . . . . 6532 1 736 . 1 1 75 75 GLU CA C 13 57.162 0.000 . . . . . . . . . . 6532 1 737 . 1 1 75 75 GLU CB C 13 27.604 0.000 . . . . . . . . . . 6532 1 738 . 1 1 75 75 GLU CG C 13 34.144 0.000 . . . . . . . . . . 6532 1 739 . 1 1 75 75 GLU N N 15 120.658 0.000 . . . . . . . . . . 6532 1 740 . 1 1 77 77 TRP H H 1 8.669 0.000 . . . . . . . . . . 6532 1 741 . 1 1 77 77 TRP HA H 1 3.426 0.000 . . . . . . . . . . 6532 1 742 . 1 1 77 77 TRP HB2 H 1 2.771 0.000 . . . . . . . . . . 6532 1 743 . 1 1 77 77 TRP HB3 H 1 2.771 0.000 . . . . . . . . . . 6532 1 744 . 1 1 77 77 TRP HD1 H 1 6.868 0.000 . . . . . . . . . . 6532 1 745 . 1 1 77 77 TRP HE1 H 1 8.550 0.000 . . . . . . . . . . 6532 1 746 . 1 1 77 77 TRP HE3 H 1 6.651 0.000 . . . . . . . . . . 6532 1 747 . 1 1 77 77 TRP HZ2 H 1 5.721 0.000 . . . . . . . . . . 6532 1 748 . 1 1 77 77 TRP HZ3 H 1 7.047 0.000 . . . . . . . . . . 6532 1 749 . 1 1 77 77 TRP HH2 H 1 6.261 0.000 . . . . . . . . . . 6532 1 750 . 1 1 77 77 TRP CA C 13 58.026 0.000 . . . . . . . . . . 6532 1 751 . 1 1 77 77 TRP CB C 13 25.931 0.000 . . . . . . . . . . 6532 1 752 . 1 1 77 77 TRP N N 15 119.349 0.000 . . . . . . . . . . 6532 1 753 . 1 1 77 77 TRP NE1 N 15 130.000 0.000 . . . . . . . . . . 6532 1 754 . 1 1 78 78 ARG H H 1 7.900 0.000 . . . . . . . . . . 6532 1 755 . 1 1 78 78 ARG HA H 1 4.066 0.000 . . . . . . . . . . 6532 1 756 . 1 1 78 78 ARG HB2 H 1 1.577 0.000 . . . . . . . . . . 6532 1 757 . 1 1 78 78 ARG HB3 H 1 1.577 0.000 . . . . . . . . . . 6532 1 758 . 1 1 78 78 ARG HG2 H 1 1.692 0.000 . . . . . . . . . . 6532 1 759 . 1 1 78 78 ARG HG3 H 1 1.692 0.000 . . . . . . . . . . 6532 1 760 . 1 1 78 78 ARG HD2 H 1 3.002 0.000 . . . . . . . . . . 6532 1 761 . 1 1 78 78 ARG HD3 H 1 3.002 0.000 . . . . . . . . . . 6532 1 762 . 1 1 78 78 ARG CA C 13 57.344 0.000 . . . . . . . . . . 6532 1 763 . 1 1 78 78 ARG CB C 13 27.420 0.000 . . . . . . . . . . 6532 1 764 . 1 1 78 78 ARG CG C 13 29.301 0.000 . . . . . . . . . . 6532 1 765 . 1 1 78 78 ARG CD C 13 39.172 0.000 . . . . . . . . . . 6532 1 766 . 1 1 78 78 ARG N N 15 120.067 0.000 . . . . . . . . . . 6532 1 767 . 1 1 79 79 LEU H H 1 8.112 0.000 . . . . . . . . . . 6532 1 768 . 1 1 79 79 LEU HA H 1 4.431 0.000 . . . . . . . . . . 6532 1 769 . 1 1 79 79 LEU HB2 H 1 2.892 0.000 . . . . . . . . . . 6532 1 770 . 1 1 79 79 LEU HB3 H 1 2.892 0.000 . . . . . . . . . . 6532 1 771 . 1 1 79 79 LEU HG H 1 1.633 0.000 . . . . . . . . . . 6532 1 772 . 1 1 79 79 LEU HD11 H 1 0.776 0.000 . . . . . . . . . . 6532 1 773 . 1 1 79 79 LEU HD12 H 1 0.776 0.000 . . . . . . . . . . 6532 1 774 . 1 1 79 79 LEU HD13 H 1 0.776 0.000 . . . . . . . . . . 6532 1 775 . 1 1 79 79 LEU CA C 13 55.606 0.000 . . . . . . . . . . 6532 1 776 . 1 1 79 79 LEU CB C 13 39.150 0.000 . . . . . . . . . . 6532 1 777 . 1 1 79 79 LEU CG C 13 26.522 0.000 . . . . . . . . . . 6532 1 778 . 1 1 79 79 LEU CD1 C 13 24.869 0.000 . . . . . . . . . . 6532 1 779 . 1 1 79 79 LEU N N 15 120.136 0.000 . . . . . . . . . . 6532 1 780 . 1 1 80 80 ILE H H 1 8.199 0.000 . . . . . . . . . . 6532 1 781 . 1 1 80 80 ILE HA H 1 3.372 0.000 . . . . . . . . . . 6532 1 782 . 1 1 80 80 ILE HB H 1 1.583 0.000 . . . . . . . . . . 6532 1 783 . 1 1 80 80 ILE HG12 H 1 0.600 0.000 . . . . . . . . . . 6532 1 784 . 1 1 80 80 ILE HG13 H 1 0.548 0.000 . . . . . . . . . . 6532 1 785 . 1 1 80 80 ILE HG21 H 1 0.495 0.000 . . . . . . . . . . 6532 1 786 . 1 1 80 80 ILE HG22 H 1 0.495 0.000 . . . . . . . . . . 6532 1 787 . 1 1 80 80 ILE HG23 H 1 0.495 0.000 . . . . . . . . . . 6532 1 788 . 1 1 80 80 ILE HD11 H 1 0.267 0.000 . . . . . . . . . . 6532 1 789 . 1 1 80 80 ILE HD12 H 1 0.267 0.000 . . . . . . . . . . 6532 1 790 . 1 1 80 80 ILE HD13 H 1 0.267 0.000 . . . . . . . . . . 6532 1 791 . 1 1 80 80 ILE CA C 13 60.737 0.000 . . . . . . . . . . 6532 1 792 . 1 1 80 80 ILE CB C 13 31.770 0.000 . . . . . . . . . . 6532 1 793 . 1 1 80 80 ILE CG1 C 13 23.707 0.000 . . . . . . . . . . 6532 1 794 . 1 1 80 80 ILE CG2 C 13 14.946 0.000 . . . . . . . . . . 6532 1 795 . 1 1 80 80 ILE CD1 C 13 6.119 0.000 . . . . . . . . . . 6532 1 796 . 1 1 80 80 ILE N N 15 118.106 0.000 . . . . . . . . . . 6532 1 797 . 1 1 81 81 GLY H H 1 7.396 0.000 . . . . . . . . . . 6532 1 798 . 1 1 81 81 GLY HA2 H 1 1.763 0.000 . . . . . . . . . . 6532 1 799 . 1 1 81 81 GLY HA3 H 1 2.252 0.000 . . . . . . . . . . 6532 1 800 . 1 1 81 81 GLY CA C 13 42.608 0.000 . . . . . . . . . . 6532 1 801 . 1 1 81 81 GLY N N 15 106.896 0.000 . . . . . . . . . . 6532 1 802 . 1 1 82 82 GLU H H 1 7.333 0.000 . . . . . . . . . . 6532 1 803 . 1 1 82 82 GLU HA H 1 3.799 0.000 . . . . . . . . . . 6532 1 804 . 1 1 82 82 GLU HB2 H 1 2.055 0.000 . . . . . . . . . . 6532 1 805 . 1 1 82 82 GLU HB3 H 1 2.055 0.000 . . . . . . . . . . 6532 1 806 . 1 1 82 82 GLU HG2 H 1 2.105 0.000 . . . . . . . . . . 6532 1 807 . 1 1 82 82 GLU HG3 H 1 2.105 0.000 . . . . . . . . . . 6532 1 808 . 1 1 82 82 GLU CA C 13 55.577 0.000 . . . . . . . . . . 6532 1 809 . 1 1 82 82 GLU CB C 13 35.377 0.000 . . . . . . . . . . 6532 1 810 . 1 1 82 82 GLU CG C 13 33.036 0.000 . . . . . . . . . . 6532 1 811 . 1 1 82 82 GLU N N 15 118.970 0.000 . . . . . . . . . . 6532 1 812 . 1 1 83 83 LEU H H 1 7.761 0.000 . . . . . . . . . . 6532 1 813 . 1 1 83 83 LEU HA H 1 4.070 0.000 . . . . . . . . . . 6532 1 814 . 1 1 83 83 LEU HD11 H 1 0.791 0.000 . . . . . . . . . . 6532 1 815 . 1 1 83 83 LEU HD12 H 1 0.791 0.000 . . . . . . . . . . 6532 1 816 . 1 1 83 83 LEU HD13 H 1 0.791 0.000 . . . . . . . . . . 6532 1 817 . 1 1 83 83 LEU HD21 H 1 0.601 0.000 . . . . . . . . . . 6532 1 818 . 1 1 83 83 LEU HD22 H 1 0.601 0.000 . . . . . . . . . . 6532 1 819 . 1 1 83 83 LEU HD23 H 1 0.601 0.000 . . . . . . . . . . 6532 1 820 . 1 1 83 83 LEU CA C 13 57.515 0.000 . . . . . . . . . . 6532 1 821 . 1 1 83 83 LEU CB C 13 37.829 0.000 . . . . . . . . . . 6532 1 822 . 1 1 83 83 LEU N N 15 119.647 0.000 . . . . . . . . . . 6532 1 823 . 1 1 84 84 ALA H H 1 8.168 0.000 . . . . . . . . . . 6532 1 824 . 1 1 84 84 ALA HA H 1 3.659 0.000 . . . . . . . . . . 6532 1 825 . 1 1 84 84 ALA HB1 H 1 0.803 0.000 . . . . . . . . . . 6532 1 826 . 1 1 84 84 ALA HB2 H 1 0.803 0.000 . . . . . . . . . . 6532 1 827 . 1 1 84 84 ALA HB3 H 1 0.803 0.000 . . . . . . . . . . 6532 1 828 . 1 1 84 84 ALA CA C 13 51.370 0.000 . . . . . . . . . . 6532 1 829 . 1 1 84 84 ALA CB C 13 15.242 0.000 . . . . . . . . . . 6532 1 830 . 1 1 84 84 ALA N N 15 120.115 0.000 . . . . . . . . . . 6532 1 831 . 1 1 85 85 LYS H H 1 7.223 0.000 . . . . . . . . . . 6532 1 832 . 1 1 85 85 LYS HA H 1 3.430 0.000 . . . . . . . . . . 6532 1 833 . 1 1 85 85 LYS HB2 H 1 1.733 0.000 . . . . . . . . . . 6532 1 834 . 1 1 85 85 LYS HB3 H 1 1.733 0.000 . . . . . . . . . . 6532 1 835 . 1 1 85 85 LYS HG2 H 1 1.325 0.000 . . . . . . . . . . 6532 1 836 . 1 1 85 85 LYS HG3 H 1 1.325 0.000 . . . . . . . . . . 6532 1 837 . 1 1 85 85 LYS HD2 H 1 1.623 0.000 . . . . . . . . . . 6532 1 838 . 1 1 85 85 LYS HD3 H 1 1.623 0.000 . . . . . . . . . . 6532 1 839 . 1 1 85 85 LYS HE2 H 1 2.907 0.000 . . . . . . . . . . 6532 1 840 . 1 1 85 85 LYS HE3 H 1 2.907 0.000 . . . . . . . . . . 6532 1 841 . 1 1 85 85 LYS CA C 13 56.680 0.000 . . . . . . . . . . 6532 1 842 . 1 1 85 85 LYS CB C 13 29.483 0.000 . . . . . . . . . . 6532 1 843 . 1 1 85 85 LYS CG C 13 22.277 0.000 . . . . . . . . . . 6532 1 844 . 1 1 85 85 LYS CD C 13 26.324 0.000 . . . . . . . . . . 6532 1 845 . 1 1 85 85 LYS CE C 13 39.127 0.000 . . . . . . . . . . 6532 1 846 . 1 1 85 85 LYS N N 15 115.981 0.000 . . . . . . . . . . 6532 1 847 . 1 1 86 86 GLU H H 1 7.603 0.000 . . . . . . . . . . 6532 1 848 . 1 1 86 86 GLU HA H 1 3.916 0.000 . . . . . . . . . . 6532 1 849 . 1 1 86 86 GLU HB2 H 1 1.776 0.000 . . . . . . . . . . 6532 1 850 . 1 1 86 86 GLU HB3 H 1 1.776 0.000 . . . . . . . . . . 6532 1 851 . 1 1 86 86 GLU HG2 H 1 2.154 0.000 . . . . . . . . . . 6532 1 852 . 1 1 86 86 GLU HG3 H 1 2.154 0.000 . . . . . . . . . . 6532 1 853 . 1 1 86 86 GLU CA C 13 54.674 0.000 . . . . . . . . . . 6532 1 854 . 1 1 86 86 GLU CB C 13 26.318 0.000 . . . . . . . . . . 6532 1 855 . 1 1 86 86 GLU CG C 13 34.544 0.000 . . . . . . . . . . 6532 1 856 . 1 1 86 86 GLU N N 15 117.457 0.000 . . . . . . . . . . 6532 1 857 . 1 1 87 87 ILE H H 1 7.471 0.000 . . . . . . . . . . 6532 1 858 . 1 1 87 87 ILE HA H 1 3.647 0.000 . . . . . . . . . . 6532 1 859 . 1 1 87 87 ILE HB H 1 1.740 0.000 . . . . . . . . . . 6532 1 860 . 1 1 87 87 ILE HG12 H 1 1.446 0.000 . . . . . . . . . . 6532 1 861 . 1 1 87 87 ILE HG13 H 1 1.446 0.000 . . . . . . . . . . 6532 1 862 . 1 1 87 87 ILE HG21 H 1 0.764 0.000 . . . . . . . . . . 6532 1 863 . 1 1 87 87 ILE HG22 H 1 0.764 0.000 . . . . . . . . . . 6532 1 864 . 1 1 87 87 ILE HG23 H 1 0.764 0.000 . . . . . . . . . . 6532 1 865 . 1 1 87 87 ILE HD11 H 1 0.716 0.000 . . . . . . . . . . 6532 1 866 . 1 1 87 87 ILE HD12 H 1 0.716 0.000 . . . . . . . . . . 6532 1 867 . 1 1 87 87 ILE HD13 H 1 0.716 0.000 . . . . . . . . . . 6532 1 868 . 1 1 87 87 ILE CA C 13 60.995 0.000 . . . . . . . . . . 6532 1 869 . 1 1 87 87 ILE CB C 13 35.181 0.000 . . . . . . . . . . 6532 1 870 . 1 1 87 87 ILE CG1 C 13 25.812 0.000 . . . . . . . . . . 6532 1 871 . 1 1 87 87 ILE CG2 C 13 14.548 0.000 . . . . . . . . . . 6532 1 872 . 1 1 87 87 ILE CD1 C 13 10.807 0.000 . . . . . . . . . . 6532 1 873 . 1 1 87 87 ILE N N 15 119.085 0.000 . . . . . . . . . . 6532 1 874 . 1 1 88 88 ARG H H 1 7.683 0.000 . . . . . . . . . . 6532 1 875 . 1 1 88 88 ARG HA H 1 3.863 0.000 . . . . . . . . . . 6532 1 876 . 1 1 88 88 ARG HB2 H 1 1.768 0.000 . . . . . . . . . . 6532 1 877 . 1 1 88 88 ARG HB3 H 1 1.768 0.000 . . . . . . . . . . 6532 1 878 . 1 1 88 88 ARG HG2 H 1 1.582 0.000 . . . . . . . . . . 6532 1 879 . 1 1 88 88 ARG HG3 H 1 1.582 0.000 . . . . . . . . . . 6532 1 880 . 1 1 88 88 ARG CA C 13 54.426 0.000 . . . . . . . . . . 6532 1 881 . 1 1 88 88 ARG CB C 13 26.970 0.000 . . . . . . . . . . 6532 1 882 . 1 1 88 88 ARG CG C 13 32.705 0.000 . . . . . . . . . . 6532 1 883 . 1 1 88 88 ARG CD C 13 38.521 0.000 . . . . . . . . . . 6532 1 884 . 1 1 88 88 ARG N N 15 120.388 0.000 . . . . . . . . . . 6532 1 885 . 1 1 89 89 LYS H H 1 7.603 0.000 . . . . . . . . . . 6532 1 886 . 1 1 89 89 LYS HA H 1 3.970 0.000 . . . . . . . . . . 6532 1 887 . 1 1 89 89 LYS HB2 H 1 1.717 0.000 . . . . . . . . . . 6532 1 888 . 1 1 89 89 LYS HB3 H 1 1.640 0.000 . . . . . . . . . . 6532 1 889 . 1 1 89 89 LYS HG2 H 1 1.257 0.000 . . . . . . . . . . 6532 1 890 . 1 1 89 89 LYS HG3 H 1 1.295 0.000 . . . . . . . . . . 6532 1 891 . 1 1 89 89 LYS HD2 H 1 1.595 0.000 . . . . . . . . . . 6532 1 892 . 1 1 89 89 LYS HD3 H 1 1.556 0.000 . . . . . . . . . . 6532 1 893 . 1 1 89 89 LYS HE2 H 1 2.882 0.000 . . . . . . . . . . 6532 1 894 . 1 1 89 89 LYS HE3 H 1 2.882 0.000 . . . . . . . . . . 6532 1 895 . 1 1 89 89 LYS CA C 13 54.833 0.000 . . . . . . . . . . 6532 1 896 . 1 1 89 89 LYS CB C 13 29.970 0.000 . . . . . . . . . . 6532 1 897 . 1 1 89 89 LYS CG C 13 21.698 0.000 . . . . . . . . . . 6532 1 898 . 1 1 89 89 LYS CD C 13 26.288 0.000 . . . . . . . . . . 6532 1 899 . 1 1 89 89 LYS CE C 13 39.254 0.000 . . . . . . . . . . 6532 1 900 . 1 1 89 89 LYS N N 15 119.521 0.000 . . . . . . . . . . 6532 1 901 . 1 1 92 92 ASP H H 1 7.965 0.000 . . . . . . . . . . 6532 1 902 . 1 1 92 92 ASP HA H 1 4.428 0.000 . . . . . . . . . . 6532 1 903 . 1 1 92 92 ASP HB2 H 1 2.496 0.000 . . . . . . . . . . 6532 1 904 . 1 1 92 92 ASP HB3 H 1 2.496 0.000 . . . . . . . . . . 6532 1 905 . 1 1 92 92 ASP CA C 13 52.022 0.000 . . . . . . . . . . 6532 1 906 . 1 1 92 92 ASP CB C 13 38.071 0.000 . . . . . . . . . . 6532 1 907 . 1 1 92 92 ASP N N 15 120.212 0.000 . . . . . . . . . . 6532 1 908 . 1 1 93 93 LEU H H 1 7.821 0.000 . . . . . . . . . . 6532 1 909 . 1 1 93 93 LEU HA H 1 4.100 0.000 . . . . . . . . . . 6532 1 910 . 1 1 93 93 LEU HB2 H 1 1.484 0.000 . . . . . . . . . . 6532 1 911 . 1 1 93 93 LEU HB3 H 1 1.484 0.000 . . . . . . . . . . 6532 1 912 . 1 1 93 93 LEU HG H 1 1.508 0.000 . . . . . . . . . . 6532 1 913 . 1 1 93 93 LEU HD11 H 1 0.766 0.000 . . . . . . . . . . 6532 1 914 . 1 1 93 93 LEU HD12 H 1 0.766 0.000 . . . . . . . . . . 6532 1 915 . 1 1 93 93 LEU HD13 H 1 0.766 0.000 . . . . . . . . . . 6532 1 916 . 1 1 93 93 LEU HD21 H 1 0.716 0.000 . . . . . . . . . . 6532 1 917 . 1 1 93 93 LEU HD22 H 1 0.716 0.000 . . . . . . . . . . 6532 1 918 . 1 1 93 93 LEU HD23 H 1 0.716 0.000 . . . . . . . . . . 6532 1 919 . 1 1 93 93 LEU CA C 13 52.480 0.000 . . . . . . . . . . 6532 1 920 . 1 1 93 93 LEU CB C 13 38.830 0.000 . . . . . . . . . . 6532 1 921 . 1 1 93 93 LEU CG C 13 24.101 0.000 . . . . . . . . . . 6532 1 922 . 1 1 93 93 LEU CD1 C 13 21.915 0.000 . . . . . . . . . . 6532 1 923 . 1 1 93 93 LEU CD2 C 13 20.828 0.000 . . . . . . . . . . 6532 1 924 . 1 1 93 93 LEU N N 15 121.273 0.000 . . . . . . . . . . 6532 1 925 . 1 1 94 94 LYS H H 1 7.974 0.000 . . . . . . . . . . 6532 1 926 . 1 1 94 94 LYS HA H 1 4.027 0.000 . . . . . . . . . . 6532 1 927 . 1 1 94 94 LYS HB2 H 1 1.675 0.000 . . . . . . . . . . 6532 1 928 . 1 1 94 94 LYS HB3 H 1 1.627 0.000 . . . . . . . . . . 6532 1 929 . 1 1 94 94 LYS HG2 H 1 1.301 0.000 . . . . . . . . . . 6532 1 930 . 1 1 94 94 LYS HG3 H 1 1.255 0.000 . . . . . . . . . . 6532 1 931 . 1 1 94 94 LYS HD2 H 1 1.561 0.000 . . . . . . . . . . 6532 1 932 . 1 1 94 94 LYS HD3 H 1 1.512 0.000 . . . . . . . . . . 6532 1 933 . 1 1 94 94 LYS HE2 H 1 2.888 0.000 . . . . . . . . . . 6532 1 934 . 1 1 94 94 LYS HE3 H 1 2.888 0.000 . . . . . . . . . . 6532 1 935 . 1 1 94 94 LYS CA C 13 53.302 0.000 . . . . . . . . . . 6532 1 936 . 1 1 94 94 LYS CB C 13 29.807 0.000 . . . . . . . . . . 6532 1 937 . 1 1 94 94 LYS CG C 13 21.813 0.000 . . . . . . . . . . 6532 1 938 . 1 1 94 94 LYS CD C 13 26.403 0.000 . . . . . . . . . . 6532 1 939 . 1 1 94 94 LYS CE C 13 39.025 0.000 . . . . . . . . . . 6532 1 940 . 1 1 94 94 LYS N N 15 120.753 0.000 . . . . . . . . . . 6532 1 941 . 1 1 95 95 ILE H H 1 8.026 0.000 . . . . . . . . . . 6532 1 942 . 1 1 95 95 ILE HA H 1 4.016 0.000 . . . . . . . . . . 6532 1 943 . 1 1 95 95 ILE HB H 1 1.736 0.000 . . . . . . . . . . 6532 1 944 . 1 1 95 95 ILE HG12 H 1 1.357 0.000 . . . . . . . . . . 6532 1 945 . 1 1 95 95 ILE HG13 H 1 1.357 0.000 . . . . . . . . . . 6532 1 946 . 1 1 95 95 ILE HG21 H 1 0.774 0.000 . . . . . . . . . . 6532 1 947 . 1 1 95 95 ILE HG22 H 1 0.774 0.000 . . . . . . . . . . 6532 1 948 . 1 1 95 95 ILE HG23 H 1 0.774 0.000 . . . . . . . . . . 6532 1 949 . 1 1 95 95 ILE HD11 H 1 0.733 0.000 . . . . . . . . . . 6532 1 950 . 1 1 95 95 ILE HD12 H 1 0.733 0.000 . . . . . . . . . . 6532 1 951 . 1 1 95 95 ILE HD13 H 1 0.733 0.000 . . . . . . . . . . 6532 1 952 . 1 1 95 95 ILE CA C 13 58.929 0.000 . . . . . . . . . . 6532 1 953 . 1 1 95 95 ILE CB C 13 35.765 0.000 . . . . . . . . . . 6532 1 954 . 1 1 95 95 ILE CG1 C 13 24.452 0.000 . . . . . . . . . . 6532 1 955 . 1 1 95 95 ILE CG2 C 13 14.699 0.000 . . . . . . . . . . 6532 1 956 . 1 1 95 95 ILE CD1 C 13 9.994 0.000 . . . . . . . . . . 6532 1 957 . 1 1 95 95 ILE N N 15 121.835 0.000 . . . . . . . . . . 6532 1 958 . 1 1 96 96 ARG H H 1 7.833 0.000 . . . . . . . . . . 6532 1 959 . 1 1 96 96 ARG HA H 1 4.018 0.000 . . . . . . . . . . 6532 1 960 . 1 1 96 96 ARG HB2 H 1 1.754 0.000 . . . . . . . . . . 6532 1 961 . 1 1 96 96 ARG HB3 H 1 1.754 0.000 . . . . . . . . . . 6532 1 962 . 1 1 96 96 ARG HG2 H 1 1.561 0.000 . . . . . . . . . . 6532 1 963 . 1 1 96 96 ARG HG3 H 1 1.561 0.000 . . . . . . . . . . 6532 1 964 . 1 1 96 96 ARG HD2 H 1 2.882 0.000 . . . . . . . . . . 6532 1 965 . 1 1 96 96 ARG HD3 H 1 2.882 0.000 . . . . . . . . . . 6532 1 966 . 1 1 96 96 ARG CA C 13 54.809 0.000 . . . . . . . . . . 6532 1 967 . 1 1 96 96 ARG CB C 13 28.617 0.000 . . . . . . . . . . 6532 1 968 . 1 1 96 96 ARG CG C 13 26.453 0.000 . . . . . . . . . . 6532 1 969 . 1 1 96 96 ARG CD C 13 39.284 0.000 . . . . . . . . . . 6532 1 970 . 1 1 96 96 ARG N N 15 129.343 0.000 . . . . . . . . . . 6532 1 stop_ save_