data_16505 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16505 _Entry.Title ; NMR structure of the octarepeat region of prion protein bound to pentosan polysulfate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-21 _Entry.Accession_date 2009-09-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'residues 57-91 of Syrian hamster prion protein' _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 Lara Taubner . M. . 16505 2 Byron Caughey . . . 16505 3 Valerie Copie . . . 16505 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16505 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID nmr . 16505 'octapeptide repeats' . 16505 'pentosan polysulfate' . 16505 'prion protein' . 16505 'sulfated glycans' . 16505 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16505 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 160 16505 '15N chemical shifts' 50 16505 '1H chemical shifts' 261 16505 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 3 . . 2010-06-03 2009-09-21 update BMRB 'edit assembly name' 16505 2 . . 2010-02-03 2009-09-21 update BMRB 'complete entry citation' 16505 1 . . 2009-11-20 2009-09-21 original author 'original release' 16505 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KKG 'BMRB Entry Tracking System' 16505 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16505 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19913031 _Citation.Full_citation . _Citation.Title 'Structure of the flexible amino-terminal domain of prion protein bound to a sulfated glycan.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 395 _Citation.Journal_issue 3 _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 475 _Citation.Page_last 490 _Citation.Year 2010 _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 Lara Taubner . M. . 16505 1 2 Ewa Bienkiewicz . A. . 16505 1 3 Valerie Copie . . . 16505 1 4 Byron Caughey . . . 16505 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16505 _Assembly.ID 1 _Assembly.Name octarepeats _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 octarepeats 1 $octarepeats A . yes native no no . . . 16505 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_octarepeats _Entity.Sf_category entity _Entity.Sf_framecode octarepeats _Entity.Entry_ID 16505 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name octarepeats _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKKRPKPGGWNTGGSRYPGQ GSPGGNRYPPQGGGTWGQPH GGGWGQPHGGGWGQPHGGGW GQPHGGGWGQGGGTHNQWNK PSKPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq Met22-Lys106 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3500.671 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4402 . "human prion protein" . . . . . 98.82 210 97.62 98.81 4.59e-43 . . . . 16505 1 2 no PDB 1QLX . "Human Prion Protein" . . . . . 98.82 210 97.62 98.81 4.59e-43 . . . . 16505 1 3 no PDB 1QLZ . "Human Prion Protein" . . . . . 98.82 210 97.62 98.81 4.59e-43 . . . . 16505 1 4 no PDB 2KKG . "Nmr Structure Of The Octarepeat Region Of Prion Protein Bound To Pentosan Polysulfate" . . . . . 100.00 85 100.00 100.00 9.19e-43 . . . . 16505 1 5 no PDB 4KML . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" . . . . . 97.65 241 97.59 98.80 3.73e-42 . . . . 16505 1 6 no DBJ BAA00011 . "prion protein [Homo sapiens]" . . . . . 98.82 245 97.62 98.81 7.51e-44 . . . . 16505 1 7 no DBJ BAA08790 . "prion protein [Rattus norvegicus]" . . . . . 98.82 254 97.62 97.62 3.77e-45 . . . . 16505 1 8 no DBJ BAD51981 . "prion protein [Macaca fascicularis]" . . . . . 98.82 253 97.62 98.81 1.29e-43 . . . . 16505 1 9 no DBJ BAE91721 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.82 253 97.62 98.81 1.29e-43 . . . . 16505 1 10 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 98.82 253 97.62 98.81 8.46e-44 . . . . 16505 1 11 no EMBL CAG46869 . "PRNP [Homo sapiens]" . . . . . 98.82 253 97.62 98.81 8.19e-44 . . . . 16505 1 12 no EMBL CAH92912 . "hypothetical protein [Pongo abelii]" . . . . . 98.82 253 97.62 98.81 1.02e-43 . . . . 16505 1 13 no GB AAA19664 . "prion protein [Homo sapiens]" . . . . . 98.82 245 97.62 98.81 7.51e-44 . . . . 16505 1 14 no GB AAA37013 . "prion protein [Cricetulus sp.]" . . . . . 98.82 254 100.00 100.00 9.42e-46 . . . . 16505 1 15 no GB AAA37014 . "prion protein, partial [Cricetulus migratorius]" . . . . . 98.82 254 98.81 100.00 3.28e-45 . . . . 16505 1 16 no GB AAA37090 . "scrapie prion, partial [Mesocricetus auratus]" . . . . . 98.82 243 100.00 100.00 1.02e-45 . . . . 16505 1 17 no GB AAA37091 . "PrP 33-35-C protein precursor, partial [Mesocricetus auratus]" . . . . . 98.82 254 100.00 100.00 9.42e-46 . . . . 16505 1 18 no PIR B34759 . "prion protein - golden hamster" . . . . . 98.82 254 98.81 100.00 3.28e-45 . . . . 16505 1 19 no REF NP_000302 . "major prion protein preproprotein [Homo sapiens]" . . . . . 98.82 253 97.62 98.81 8.19e-44 . . . . 16505 1 20 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 98.82 253 97.62 98.81 8.46e-44 . . . . 16505 1 21 no REF NP_001040617 . "major prion protein precursor [Macaca mulatta]" . . . . . 98.82 253 97.62 98.81 1.29e-43 . . . . 16505 1 22 no REF NP_001073590 . "major prion protein preproprotein [Homo sapiens]" . . . . . 98.82 253 97.62 98.81 8.19e-44 . . . . 16505 1 23 no REF NP_001073591 . "major prion protein preproprotein [Homo sapiens]" . . . . . 98.82 253 97.62 98.81 8.19e-44 . . . . 16505 1 24 no SP P04156 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" . . . . . 98.82 253 97.62 98.81 8.19e-44 . . . . 16505 1 25 no SP P04273 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 98.82 254 100.00 100.00 9.42e-46 . . . . 16505 1 26 no SP P13852 . "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor" . . . . . 98.82 254 97.62 97.62 3.77e-45 . . . . 16505 1 27 no SP P40247 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 98.82 252 97.62 98.81 1.25e-42 . . . . 16505 1 28 no SP P40248 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 98.82 241 98.81 100.00 2.49e-45 . . . . 16505 1 29 no TPE CAJ43808 . "TPA: prion protein PrP [Pongo abelii]" . . . . . 98.82 253 97.62 98.81 1.02e-43 . . . . 16505 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 . 16505 1 2 . LYS . 16505 1 3 . LYS . 16505 1 4 . ARG . 16505 1 5 . PRO . 16505 1 6 . LYS . 16505 1 7 . PRO . 16505 1 8 . GLY . 16505 1 9 . GLY . 16505 1 10 . TRP . 16505 1 11 . ASN . 16505 1 12 . THR . 16505 1 13 . GLY . 16505 1 14 . GLY . 16505 1 15 . SER . 16505 1 16 . ARG . 16505 1 17 . TYR . 16505 1 18 . PRO . 16505 1 19 . GLY . 16505 1 20 . GLN . 16505 1 21 . GLY . 16505 1 22 . SER . 16505 1 23 . PRO . 16505 1 24 . GLY . 16505 1 25 . GLY . 16505 1 26 . ASN . 16505 1 27 . ARG . 16505 1 28 . TYR . 16505 1 29 . PRO . 16505 1 30 . PRO . 16505 1 31 . GLN . 16505 1 32 . GLY . 16505 1 33 . GLY . 16505 1 34 . GLY . 16505 1 35 . THR . 16505 1 36 . TRP . 16505 1 37 . GLY . 16505 1 38 . GLN . 16505 1 39 . PRO . 16505 1 40 . HIS . 16505 1 41 . GLY . 16505 1 42 . GLY . 16505 1 43 . GLY . 16505 1 44 . TRP . 16505 1 45 . GLY . 16505 1 46 . GLN . 16505 1 47 . PRO . 16505 1 48 . HIS . 16505 1 49 . GLY . 16505 1 50 . GLY . 16505 1 51 . GLY . 16505 1 52 . TRP . 16505 1 53 . GLY . 16505 1 54 . GLN . 16505 1 55 . PRO . 16505 1 56 . HIS . 16505 1 57 . GLY . 16505 1 58 . GLY . 16505 1 59 . GLY . 16505 1 60 . TRP . 16505 1 61 . GLY . 16505 1 62 . GLN . 16505 1 63 . PRO . 16505 1 64 . HIS . 16505 1 65 . GLY . 16505 1 66 . GLY . 16505 1 67 . GLY . 16505 1 68 . TRP . 16505 1 69 . GLY . 16505 1 70 . GLN . 16505 1 71 . GLY . 16505 1 72 . GLY . 16505 1 73 . GLY . 16505 1 74 . THR . 16505 1 75 . HIS . 16505 1 76 . ASN . 16505 1 77 . GLN . 16505 1 78 . TRP . 16505 1 79 . ASN . 16505 1 80 . LYS . 16505 1 81 . PRO . 16505 1 82 . SER . 16505 1 83 . LYS . 16505 1 84 . PRO . 16505 1 85 . LYS . 16505 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 16505 1 . LYS 2 2 16505 1 . LYS 3 3 16505 1 . ARG 4 4 16505 1 . PRO 5 5 16505 1 . LYS 6 6 16505 1 . PRO 7 7 16505 1 . GLY 8 8 16505 1 . GLY 9 9 16505 1 . TRP 10 10 16505 1 . ASN 11 11 16505 1 . THR 12 12 16505 1 . GLY 13 13 16505 1 . GLY 14 14 16505 1 . SER 15 15 16505 1 . ARG 16 16 16505 1 . TYR 17 17 16505 1 . PRO 18 18 16505 1 . GLY 19 19 16505 1 . GLN 20 20 16505 1 . GLY 21 21 16505 1 . SER 22 22 16505 1 . PRO 23 23 16505 1 . GLY 24 24 16505 1 . GLY 25 25 16505 1 . ASN 26 26 16505 1 . ARG 27 27 16505 1 . TYR 28 28 16505 1 . PRO 29 29 16505 1 . PRO 30 30 16505 1 . GLN 31 31 16505 1 . GLY 32 32 16505 1 . GLY 33 33 16505 1 . GLY 34 34 16505 1 . THR 35 35 16505 1 . TRP 36 36 16505 1 . GLY 37 37 16505 1 . GLN 38 38 16505 1 . PRO 39 39 16505 1 . HIS 40 40 16505 1 . GLY 41 41 16505 1 . GLY 42 42 16505 1 . GLY 43 43 16505 1 . TRP 44 44 16505 1 . GLY 45 45 16505 1 . GLN 46 46 16505 1 . PRO 47 47 16505 1 . HIS 48 48 16505 1 . GLY 49 49 16505 1 . GLY 50 50 16505 1 . GLY 51 51 16505 1 . TRP 52 52 16505 1 . GLY 53 53 16505 1 . GLN 54 54 16505 1 . PRO 55 55 16505 1 . HIS 56 56 16505 1 . GLY 57 57 16505 1 . GLY 58 58 16505 1 . GLY 59 59 16505 1 . TRP 60 60 16505 1 . GLY 61 61 16505 1 . GLN 62 62 16505 1 . PRO 63 63 16505 1 . HIS 64 64 16505 1 . GLY 65 65 16505 1 . GLY 66 66 16505 1 . GLY 67 67 16505 1 . TRP 68 68 16505 1 . GLY 69 69 16505 1 . GLN 70 70 16505 1 . GLY 71 71 16505 1 . GLY 72 72 16505 1 . GLY 73 73 16505 1 . THR 74 74 16505 1 . HIS 75 75 16505 1 . ASN 76 76 16505 1 . GLN 77 77 16505 1 . TRP 78 78 16505 1 . ASN 79 79 16505 1 . LYS 80 80 16505 1 . PRO 81 81 16505 1 . SER 82 82 16505 1 . LYS 83 83 16505 1 . PRO 84 84 16505 1 . LYS 85 85 16505 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 16505 _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 $octarepeats . 10036 organism . 'Mesocricetus auratus' 'golden hamster' . . Eukaryota Metazoa Mesocricetus auratus . . . . . . . . . . . . . . . . . . . . . 16505 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 16505 _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 $octarepeats . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-41 . . . . . . 16505 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16505 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20% DMSO final volume 40 X excess pentosan polysulfate pH=5.0 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '75% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 octarepeats [U-15N] . . 1 $octarepeats . . 0.5 . . mM . . . . 16505 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 16505 1 3 DMSO [U-2H] . . . . . . 20 . . % . . . . 16505 1 4 'pentosan polysulfate' 'natural abundance' . . . . . . 20 . . mM . . . . 16505 1 5 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 16505 1 6 H2O 'natural abundance' . . . . . . 75 . . % . . . . 16505 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16505 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20% DMSO final volume 40 X excess pentosan polysulfate pH=5.0 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '75% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 octarepeats '[U-13C; U-15N]' . . 1 $octarepeats . . 0.5 . . mM . . . . 16505 2 2 D2O [U-2H] . . . . . . 5 . . % . . . . 16505 2 3 DMSO [U-2H] . . . . . . 20 . . % . . . . 16505 2 4 'pentosan polysulfate' 'natural abundance' . . . . . . 20 . . mM . . . . 16505 2 5 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 16505 2 6 H2O 'natural abundance' . . . . . . 75 . . % . . . . 16505 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16505 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20% DMSO final volume 40 X excess pentosan polysulfate ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 octarepeats '[U-13C; U-15N]' . . 1 $octarepeats . . 0.5 . . mM . . . . 16505 3 2 D2O [U-2H] . . . . . . 80 . . % . . . . 16505 3 3 DMSO [U-2H] . . . . . . 20 . . % . . . . 16505 3 4 'pentosan polysulfate' 'natural abundance' . . . . . . 20 . . mM . . . . 16505 3 5 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 16505 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16505 _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 5.0 . pH 16505 1 pressure 1 . atm 16505 1 temperature 298 . K 16505 1 stop_ save_ ############################ # Computer software used # ############################ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16505 _Software.ID 1 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16505 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16505 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16505 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16505 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16505 2 'peak picking' 16505 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16505 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16505 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16505 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16505 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16505 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16505 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16505 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16505 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16505 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 16505 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 4 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16505 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16505 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 16505 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 16505 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16505 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16505 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 16505 1 4 '3D C(CO)NH' . . . 16505 1 6 '3D HNCACB' . . . 16505 1 7 '3D HBHA(CO)NH' . . . 16505 1 8 '3D H(CCO)NH' . . . 16505 1 9 '3D HCCH-TOCSY' . . . 16505 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.24 . . 1 . . . . 1 MET HA . 16505 1 2 . 1 1 1 1 MET HB2 H 1 2.23 . . 2 . . . . 1 MET HB2 . 16505 1 3 . 1 1 1 1 MET HB3 H 1 2.59 . . 2 . . . . 1 MET HB3 . 16505 1 4 . 1 1 1 1 MET HG2 H 1 2.67 . . 2 . . . . 1 MET HG2 . 16505 1 5 . 1 1 1 1 MET CA C 13 55.28 . . 1 . . . . 1 MET CA . 16505 1 6 . 1 1 1 1 MET CB C 13 33.27 . . 1 . . . . 1 MET CB . 16505 1 7 . 1 1 1 1 MET CG C 13 30.79 . . 1 . . . . 1 MET CG . 16505 1 8 . 1 1 2 2 LYS H H 1 8.56 . . 1 . . . . 2 LYS H . 16505 1 9 . 1 1 2 2 LYS HA H 1 4.46 . . 1 . . . . 2 LYS HA . 16505 1 10 . 1 1 2 2 LYS HB2 H 1 1.88 . . 2 . . . . 2 LYS HB2 . 16505 1 11 . 1 1 2 2 LYS HB3 H 1 1.84 . . 2 . . . . 2 LYS HB3 . 16505 1 12 . 1 1 2 2 LYS HD2 H 1 1.78 . . 2 . . . . 2 LYS HD2 . 16505 1 13 . 1 1 2 2 LYS HE2 H 1 3.11 . . 2 . . . . 2 LYS HE2 . 16505 1 14 . 1 1 2 2 LYS HG2 H 1 1.55 . . 2 . . . . 2 LYS HG2 . 16505 1 15 . 1 1 2 2 LYS CA C 13 56.54 . . 1 . . . . 2 LYS CA . 16505 1 16 . 1 1 2 2 LYS CB C 13 33.28 . . 1 . . . . 2 LYS CB . 16505 1 17 . 1 1 2 2 LYS CD C 13 29.17 . . 1 . . . . 2 LYS CD . 16505 1 18 . 1 1 2 2 LYS CE C 13 42.35 . . 1 . . . . 2 LYS CE . 16505 1 19 . 1 1 2 2 LYS CG C 13 24.66 . . 1 . . . . 2 LYS CG . 16505 1 20 . 1 1 2 2 LYS N N 15 123.67 . . 1 . . . . 2 LYS N . 16505 1 21 . 1 1 3 3 LYS H H 1 8.27 . . 1 . . . . 3 LYS H . 16505 1 22 . 1 1 3 3 LYS HA H 1 4.39 . . 1 . . . . 3 LYS HA . 16505 1 23 . 1 1 3 3 LYS HB2 H 1 1.87 . . 2 . . . . 3 LYS HB2 . 16505 1 24 . 1 1 3 3 LYS HB3 H 1 1.80 . . 2 . . . . 3 LYS HB3 . 16505 1 25 . 1 1 3 3 LYS HD2 H 1 1.76 . . 2 . . . . 3 LYS HD2 . 16505 1 26 . 1 1 3 3 LYS HE2 H 1 3.06 . . 2 . . . . 3 LYS HE2 . 16505 1 27 . 1 1 3 3 LYS HG2 H 1 1.47 . . 2 . . . . 3 LYS HG2 . 16505 1 28 . 1 1 3 3 LYS CA C 13 56.53 . . 1 . . . . 3 LYS CA . 16505 1 29 . 1 1 3 3 LYS CB C 13 33.14 . . 1 . . . . 3 LYS CB . 16505 1 30 . 1 1 3 3 LYS CD C 13 29.1 . . 1 . . . . 3 LYS CD . 16505 1 31 . 1 1 3 3 LYS CE C 13 42.18 . . 1 . . . . 3 LYS CE . 16505 1 32 . 1 1 3 3 LYS CG C 13 24.66 . . 1 . . . . 3 LYS CG . 16505 1 33 . 1 1 3 3 LYS N N 15 121.87 . . 1 . . . . 3 LYS N . 16505 1 34 . 1 1 4 4 ARG H H 1 8.10 . . 1 . . . . 4 ARG H . 16505 1 35 . 1 1 4 4 ARG HA H 1 4.67 . . 1 . . . . 4 ARG HA . 16505 1 36 . 1 1 4 4 ARG HB2 H 1 1.77 . . 2 . . . . 4 ARG HB2 . 16505 1 37 . 1 1 4 4 ARG HB3 H 1 1.88 . . 2 . . . . 4 ARG HB3 . 16505 1 38 . 1 1 4 4 ARG HD2 H 1 3.27 . . 2 . . . . 4 ARG HD2 . 16505 1 39 . 1 1 4 4 ARG HG2 H 1 1.72 . . 2 . . . . 4 ARG HG2 . 16505 1 40 . 1 1 4 4 ARG CA C 13 53.87 . . 1 . . . . 4 ARG CA . 16505 1 41 . 1 1 4 4 ARG CB C 13 30.62 . . 1 . . . . 4 ARG CB . 16505 1 42 . 1 1 4 4 ARG CD C 13 43.28 . . 1 . . . . 4 ARG CD . 16505 1 43 . 1 1 4 4 ARG CG C 13 26.85 . . 1 . . . . 4 ARG CG . 16505 1 44 . 1 1 4 4 ARG N N 15 121.45 . . 1 . . . . 4 ARG N . 16505 1 45 . 1 1 5 5 PRO HA H 1 4.44 . . 1 . . . . 5 PRO HA . 16505 1 46 . 1 1 5 5 PRO CA C 13 62.84 . . 1 . . . . 5 PRO CA . 16505 1 47 . 1 1 5 5 PRO CB C 13 32.19 . . 1 . . . . 5 PRO CB . 16505 1 48 . 1 1 5 5 PRO CD C 13 50.38 . . 1 . . . . 5 PRO CD . 16505 1 49 . 1 1 5 5 PRO CG C 13 27.34 . . 1 . . . . 5 PRO CG . 16505 1 50 . 1 1 6 6 LYS H H 1 8.26 . . 1 . . . . 6 LYS H . 16505 1 51 . 1 1 6 6 LYS CA C 13 54.14 . . 1 . . . . 6 LYS CA . 16505 1 52 . 1 1 6 6 LYS CB C 13 32.8 . . 1 . . . . 6 LYS CB . 16505 1 53 . 1 1 6 6 LYS N N 15 121.92 . . 1 . . . . 6 LYS N . 16505 1 54 . 1 1 10 10 TRP HA H 1 4.64 . . 1 . . . . 10 TRP HA . 16505 1 55 . 1 1 10 10 TRP HB2 H 1 3.31 . . 2 . . . . 10 TRP HB2 . 16505 1 56 . 1 1 10 10 TRP HB3 H 1 3.23 . . 2 . . . . 10 TRP HB3 . 16505 1 57 . 1 1 10 10 TRP CA C 13 57.6 . . 1 . . . . 10 TRP CA . 16505 1 58 . 1 1 10 10 TRP CB C 13 29.66 . . 1 . . . . 10 TRP CB . 16505 1 59 . 1 1 11 11 ASN H H 1 8.35 . . 1 . . . . 11 ASN H . 16505 1 60 . 1 1 11 11 ASN HA H 1 4.76 . . 1 . . . . 11 ASN HA . 16505 1 61 . 1 1 11 11 ASN HB2 H 1 2.75 . . 2 . . . . 11 ASN HB2 . 16505 1 62 . 1 1 11 11 ASN HB3 H 1 2.61 . . 2 . . . . 11 ASN HB3 . 16505 1 63 . 1 1 11 11 ASN CA C 13 53.19 . . 1 . . . . 11 ASN CA . 16505 1 64 . 1 1 11 11 ASN CB C 13 38.72 . . 1 . . . . 11 ASN CB . 16505 1 65 . 1 1 11 11 ASN N N 15 119.29 . . 1 . . . . 11 ASN N . 16505 1 66 . 1 1 12 12 THR H H 1 8.00 . . 1 . . . . 12 THR H . 16505 1 67 . 1 1 12 12 THR HA H 1 4.36 . . 1 . . . . 12 THR HA . 16505 1 68 . 1 1 12 12 THR HB H 1 4.23 . . 1 . . . . 12 THR HB . 16505 1 69 . 1 1 12 12 THR HG21 H 1 1.23 . . 1 . . . . 12 THR HG1 . 16505 1 70 . 1 1 12 12 THR HG22 H 1 1.23 . . 1 . . . . 12 THR HG1 . 16505 1 71 . 1 1 12 12 THR HG23 H 1 1.23 . . 1 . . . . 12 THR HG1 . 16505 1 72 . 1 1 12 12 THR CA C 13 62.05 . . 1 . . . . 12 THR CA . 16505 1 73 . 1 1 12 12 THR CB C 13 69.6 . . 1 . . . . 12 THR CB . 16505 1 74 . 1 1 12 12 THR CG2 C 13 21.72 . . 1 . . . . 12 THR CG2 . 16505 1 75 . 1 1 12 12 THR N N 15 112.66 . . 1 . . . . 12 THR N . 16505 1 76 . 1 1 13 13 GLY H H 1 8.42 . . 1 . . . . 13 GLY H . 16505 1 77 . 1 1 13 13 GLY CA C 13 45.64 . . 1 . . . . 13 GLY CA . 16505 1 78 . 1 1 13 13 GLY N N 15 110.44 . . 1 . . . . 13 GLY N . 16505 1 79 . 1 1 14 14 GLY HA2 H 1 4.04 . . 2 . . . . 14 GLY HA2 . 16505 1 80 . 1 1 14 14 GLY CA C 13 45.34 . . 1 . . . . 14 GLY CA . 16505 1 81 . 1 1 15 15 SER H H 1 8.15 . . 1 . . . . 15 SER H . 16505 1 82 . 1 1 15 15 SER HA H 1 4.48 . . 1 . . . . 15 SER HA . 16505 1 83 . 1 1 15 15 SER HB2 H 1 3.88 . . 2 . . . . 15 SER HB2 . 16505 1 84 . 1 1 15 15 SER CA C 13 58.4 . . 1 . . . . 15 SER CA . 16505 1 85 . 1 1 15 15 SER CB C 13 64.13 . . 1 . . . . 15 SER CB . 16505 1 86 . 1 1 15 15 SER N N 15 114.94 . . 1 . . . . 15 SER N . 16505 1 87 . 1 1 16 16 ARG H H 1 8.23 . . 1 . . . . 16 ARG H . 16505 1 88 . 1 1 16 16 ARG HA H 1 4.32 . . 1 . . . . 16 ARG HA . 16505 1 89 . 1 1 16 16 ARG HB2 H 1 1.74 . . 2 . . . . 16 ARG HB2 . 16505 1 90 . 1 1 16 16 ARG HD2 H 1 3.15 . . 2 . . . . 16 ARG HD2 . 16505 1 91 . 1 1 16 16 ARG HG2 H 1 1.50 . . 2 . . . . 16 ARG HG2 . 16505 1 92 . 1 1 16 16 ARG CA C 13 56.14 . . 1 . . . . 16 ARG CA . 16505 1 93 . 1 1 16 16 ARG CB C 13 31.07 . . 1 . . . . 16 ARG CB . 16505 1 94 . 1 1 16 16 ARG CD C 13 43.28 . . 1 . . . . 16 ARG CD . 16505 1 95 . 1 1 16 16 ARG CG C 13 27.22 . . 1 . . . . 16 ARG CG . 16505 1 96 . 1 1 16 16 ARG N N 15 121.80 . . 1 . . . . 16 ARG N . 16505 1 97 . 1 1 17 17 TYR H H 1 8.13 . . 1 . . . . 17 TYR H . 16505 1 98 . 1 1 17 17 TYR HA H 1 4.84 . . 1 . . . . 17 TYR HA . 16505 1 99 . 1 1 17 17 TYR HB2 H 1 2.86 . . 2 . . . . 17 TYR HB2 . 16505 1 100 . 1 1 17 17 TYR HB3 H 1 3.08 . . 2 . . . . 17 TYR HB3 . 16505 1 101 . 1 1 17 17 TYR CA C 13 55.84 . . 1 . . . . 17 TYR CA . 16505 1 102 . 1 1 17 17 TYR CB C 13 38.44 . . 1 . . . . 17 TYR CB . 16505 1 103 . 1 1 17 17 TYR N N 15 120.62 . . 1 . . . . 17 TYR N . 16505 1 104 . 1 1 19 19 GLY HA2 H 1 3.94 . . 2 . . . . 19 GLY HA2 . 16505 1 105 . 1 1 19 19 GLY CA C 13 45.64 . . 1 . . . . 19 GLY CA . 16505 1 106 . 1 1 20 20 GLN H H 1 8.16 . . 1 . . . . 20 GLN H . 16505 1 107 . 1 1 20 20 GLN HA H 1 4.37 . . 1 . . . . 20 GLN HA . 16505 1 108 . 1 1 20 20 GLN HB2 H 1 2.19 . . 2 . . . . 20 GLN HB2 . 16505 1 109 . 1 1 20 20 GLN HB3 H 1 1.98 . . 2 . . . . 20 GLN HB3 . 16505 1 110 . 1 1 20 20 GLN HG2 H 1 2.39 . . 2 . . . . 20 GLN HG2 . 16505 1 111 . 1 1 20 20 GLN CA C 13 56.14 . . 1 . . . . 20 GLN CA . 16505 1 112 . 1 1 20 20 GLN CB C 13 29.57 . . 1 . . . . 20 GLN CB . 16505 1 113 . 1 1 20 20 GLN CG C 13 33.89 . . 1 . . . . 20 GLN CG . 16505 1 114 . 1 1 20 20 GLN N N 15 118.92 . . 1 . . . . 20 GLN N . 16505 1 115 . 1 1 21 21 GLY H H 1 8.47 . . 1 . . . . 21 GLY H . 16505 1 116 . 1 1 21 21 GLY HA2 H 1 4.03 . . 2 . . . . 21 GLY HA2 . 16505 1 117 . 1 1 21 21 GLY CA C 13 45.22 . . 1 . . . . 21 GLY CA . 16505 1 118 . 1 1 21 21 GLY N N 15 109.52 . . 1 . . . . 21 GLY N . 16505 1 119 . 1 1 22 22 SER H H 1 8.15 . . 1 . . . . 22 SER H . 16505 1 120 . 1 1 22 22 SER HA H 1 4.81 . . 1 . . . . 22 SER HA . 16505 1 121 . 1 1 22 22 SER HB2 H 1 3.87 . . 2 . . . . 22 SER HB2 . 16505 1 122 . 1 1 22 22 SER CA C 13 56.35 . . 1 . . . . 22 SER CA . 16505 1 123 . 1 1 22 22 SER CB C 13 63.54 . . 1 . . . . 22 SER CB . 16505 1 124 . 1 1 22 22 SER N N 15 116.02 . . 1 . . . . 22 SER N . 16505 1 125 . 1 1 26 26 ASN H H 1 8.29 . . 1 . . . . 26 ASN H . 16505 1 126 . 1 1 26 26 ASN HA H 1 4.75 . . 1 . . . . 26 ASN HA . 16505 1 127 . 1 1 26 26 ASN HB2 H 1 2.77 . . 2 . . . . 26 ASN HB2 . 16505 1 128 . 1 1 26 26 ASN CA C 13 53.26 . . 1 . . . . 26 ASN CA . 16505 1 129 . 1 1 26 26 ASN CB C 13 39.15 . . 1 . . . . 26 ASN CB . 16505 1 130 . 1 1 26 26 ASN N N 15 118.01 . . 1 . . . . 26 ASN N . 16505 1 131 . 1 1 27 27 ARG H H 1 8.11 . . 1 . . . . 27 ARG H . 16505 1 132 . 1 1 27 27 ARG HA H 1 4.28 . . 1 . . . . 27 ARG HA . 16505 1 133 . 1 1 27 27 ARG HB2 H 1 1.69 . . 2 . . . . 27 ARG HB2 . 16505 1 134 . 1 1 27 27 ARG HD2 H 1 3.16 . . 2 . . . . 27 ARG HD2 . 16505 1 135 . 1 1 27 27 ARG HG2 H 1 1.49 . . 2 . . . . 27 ARG HG2 . 16505 1 136 . 1 1 27 27 ARG CA C 13 56.13 . . 1 . . . . 27 ARG CA . 16505 1 137 . 1 1 27 27 ARG CB C 13 31.09 . . 1 . . . . 27 ARG CB . 16505 1 138 . 1 1 27 27 ARG CD C 13 43.15 . . 1 . . . . 27 ARG CD . 16505 1 139 . 1 1 27 27 ARG CG C 13 27.01 . . 1 . . . . 27 ARG CG . 16505 1 140 . 1 1 27 27 ARG N N 15 119.92 . . 1 . . . . 27 ARG N . 16505 1 141 . 1 1 30 30 PRO HA H 1 4.46 . . 1 . . . . 30 PRO HA . 16505 1 142 . 1 1 30 30 PRO HB2 H 1 2.3 . . 2 . . . . 30 PRO HB2 . 16505 1 143 . 1 1 30 30 PRO HB3 H 1 1.92 . . 2 . . . . 30 PRO HB3 . 16505 1 144 . 1 1 30 30 PRO HD2 H 1 3.73 . . 2 . . . . 30 PRO HD2 . 16505 1 145 . 1 1 30 30 PRO HG2 H 1 1.99 . . 2 . . . . 30 PRO HG2 . 16505 1 146 . 1 1 30 30 PRO CA C 13 63.27 . . 1 . . . . 30 PRO CA . 16505 1 147 . 1 1 30 30 PRO CB C 13 32.07 . . 1 . . . . 30 PRO CB . 16505 1 148 . 1 1 30 30 PRO CD C 13 50.07 . . 1 . . . . 30 PRO CD . 16505 1 149 . 1 1 30 30 PRO CG C 13 27.52 . . 1 . . . . 30 PRO CG . 16505 1 150 . 1 1 31 31 GLN H H 1 8.49 . . 1 . . . . 31 GLN H . 16505 1 151 . 1 1 31 31 GLN HA H 1 4.33 . . 1 . . . . 31 GLN HA . 16505 1 152 . 1 1 31 31 GLN HB2 H 1 2.08 . . 2 . . . . 31 GLN HB2 . 16505 1 153 . 1 1 31 31 GLN HG2 H 1 2.41 . . 2 . . . . 31 GLN HG2 . 16505 1 154 . 1 1 31 31 GLN CA C 13 55.94 . . 1 . . . . 31 GLN CA . 16505 1 155 . 1 1 31 31 GLN CB C 13 29.54 . . 1 . . . . 31 GLN CB . 16505 1 156 . 1 1 31 31 GLN CG C 13 33.91 . . 1 . . . . 31 GLN CG . 16505 1 157 . 1 1 31 31 GLN N N 15 119.30 . . 1 . . . . 31 GLN N . 16505 1 158 . 1 1 35 35 THR H H 1 8.01 . . 1 . . . . 35 THR H . 16505 1 159 . 1 1 35 35 THR HA H 1 4.35 . . 1 . . . . 35 THR HA . 16505 1 160 . 1 1 35 35 THR HB H 1 4.15 . . 1 . . . . 35 THR HB . 16505 1 161 . 1 1 35 35 THR HG21 H 1 1.11 . . 1 . . . . 35 THR HG1 . 16505 1 162 . 1 1 35 35 THR HG22 H 1 1.11 . . 1 . . . . 35 THR HG1 . 16505 1 163 . 1 1 35 35 THR HG23 H 1 1.11 . . 1 . . . . 35 THR HG1 . 16505 1 164 . 1 1 35 35 THR CA C 13 61.88 . . 1 . . . . 35 THR CA . 16505 1 165 . 1 1 35 35 THR CB C 13 69.77 . . 1 . . . . 35 THR CB . 16505 1 166 . 1 1 35 35 THR CG2 C 13 21.57 . . 1 . . . . 35 THR CG2 . 16505 1 167 . 1 1 35 35 THR N N 15 112.66 . . 1 . . . . 35 THR N . 16505 1 168 . 1 1 36 36 TRP H H 1 8.23 . . 1 . . . . 36 TRP H . 16505 1 169 . 1 1 36 36 TRP HA H 1 4.65 . . 1 . . . . 36 TRP HA . 16505 1 170 . 1 1 36 36 TRP HB2 H 1 3.30 . . 2 . . . . 36 TRP HB2 . 16505 1 171 . 1 1 36 36 TRP CA C 13 57.56 . . 1 . . . . 36 TRP CA . 16505 1 172 . 1 1 36 36 TRP CB C 13 29.7 . . 1 . . . . 36 TRP CB . 16505 1 173 . 1 1 36 36 TRP N N 15 122.57 . . 1 . . . . 36 TRP N . 16505 1 174 . 1 1 37 37 GLY H H 1 8.24 . . 1 . . . . 37 GLY H . 16505 1 175 . 1 1 37 37 GLY HA2 H 1 3.89 . . 2 . . . . 37 GLY HA2 . 16505 1 176 . 1 1 37 37 GLY CA C 13 45.31 . . 1 . . . . 37 GLY CA . 16505 1 177 . 1 1 37 37 GLY N N 15 109.62 . . 1 . . . . 37 GLY N . 16505 1 178 . 1 1 38 38 GLN H H 1 7.99 . . 1 . . . . 38 GLN H . 16505 1 179 . 1 1 38 38 GLN HA H 1 4.62 . . 1 . . . . 38 GLN HA . 16505 1 180 . 1 1 38 38 GLN HB2 H 1 2.08 . . 2 . . . . 38 GLN HB2 . 16505 1 181 . 1 1 38 38 GLN HB3 H 1 1.90 . . 2 . . . . 38 GLN HB3 . 16505 1 182 . 1 1 38 38 GLN HG2 H 1 2.34 . . 2 . . . . 38 GLN HG2 . 16505 1 183 . 1 1 38 38 GLN CA C 13 53.54 . . 1 . . . . 38 GLN CA . 16505 1 184 . 1 1 38 38 GLN CB C 13 29.15 . . 1 . . . . 38 GLN CB . 16505 1 185 . 1 1 38 38 GLN CG C 13 33.34 . . 1 . . . . 38 GLN CG . 16505 1 186 . 1 1 38 38 GLN N N 15 119.56 . . 1 . . . . 38 GLN N . 16505 1 187 . 1 1 39 39 PRO HA H 1 4.35 . . 1 . . . . 39 PRO HA . 16505 1 188 . 1 1 39 39 PRO HB2 H 1 1.80 . . 2 . . . . 39 PRO HB2 . 16505 1 189 . 1 1 39 39 PRO HB3 H 1 2.20 . . 2 . . . . 39 PRO HB3 . 16505 1 190 . 1 1 39 39 PRO HD2 H 1 3.73 . . 2 . . . . 39 PRO HD2 . 16505 1 191 . 1 1 39 39 PRO HD3 H 1 3.63 . . 2 . . . . 39 PRO HD3 . 16505 1 192 . 1 1 39 39 PRO HG2 H 1 1.92 . . 2 . . . . 39 PRO HG2 . 16505 1 193 . 1 1 39 39 PRO HG3 H 1 1.95 . . 2 . . . . 39 PRO HG3 . 16505 1 194 . 1 1 39 39 PRO CA C 13 63.28 . . 1 . . . . 39 PRO CA . 16505 1 195 . 1 1 39 39 PRO CB C 13 32.04 . . 1 . . . . 39 PRO CB . 16505 1 196 . 1 1 39 39 PRO CD C 13 50.41 . . 1 . . . . 39 PRO CD . 16505 1 197 . 1 1 39 39 PRO CG C 13 27.44 . . 1 . . . . 39 PRO CG . 16505 1 198 . 1 1 40 40 HIS H H 1 8.48 . . 1 . . . . 40 HIS H . 16505 1 199 . 1 1 40 40 HIS HA H 1 4.71 . . 1 . . . . 40 HIS HA . 16505 1 200 . 1 1 40 40 HIS HB2 H 1 3.29 . . 2 . . . . 40 HIS HB2 . 16505 1 201 . 1 1 40 40 HIS HB3 H 1 3.20 . . 2 . . . . 40 HIS HB3 . 16505 1 202 . 1 1 40 40 HIS CA C 13 55.26 . . 1 . . . . 40 HIS CA . 16505 1 203 . 1 1 40 40 HIS CB C 13 29.16 . . 1 . . . . 40 HIS CB . 16505 1 204 . 1 1 40 40 HIS N N 15 117.67 . . 1 . . . . 40 HIS N . 16505 1 205 . 1 1 41 41 GLY H H 1 8.36 . . 1 . . . . 41 GLY H . 16505 1 206 . 1 1 41 41 GLY CA C 13 45.50 . . 1 . . . . 41 GLY CA . 16505 1 207 . 1 1 41 41 GLY N N 15 109.22 . . 1 . . . . 41 GLY N . 16505 1 208 . 1 1 43 43 GLY HA2 H 1 3.94 . . 2 . . . . 43 GLY HA2 . 16505 1 209 . 1 1 43 43 GLY CA C 13 45.32 . . 1 . . . . 43 GLY CA . 16505 1 210 . 1 1 44 44 TRP H H 1 8.10 . . 1 . . . . 44 TRP H . 16505 1 211 . 1 1 44 44 TRP HA H 1 4.62 . . 1 . . . . 44 TRP HA . 16505 1 212 . 1 1 44 44 TRP HB2 H 1 3.37 . . 2 . . . . 44 TRP HB2 . 16505 1 213 . 1 1 44 44 TRP HB3 H 1 3.23 . . 2 . . . . 44 TRP HB3 . 16505 1 214 . 1 1 44 44 TRP HD1 H 1 7.27 . . 1 . . . . 44 TRP HD1 . 16505 1 215 . 1 1 44 44 TRP HE1 H 1 10.13 . . 1 . . . . 44 TRP HE1 . 16505 1 216 . 1 1 44 44 TRP HE3 H 1 7.60 . . 1 . . . . 44 TRP HE3 . 16505 1 217 . 1 1 44 44 TRP CA C 13 57.56 . . 1 . . . . 44 TRP CA . 16505 1 218 . 1 1 44 44 TRP CB C 13 29.60 . . 1 . . . . 44 TRP CB . 16505 1 219 . 1 1 44 44 TRP N N 15 120.52 . . 1 . . . . 44 TRP N . 16505 1 220 . 1 1 45 45 GLY H H 1 8.35 . . 1 . . . . 45 GLY H . 16505 1 221 . 1 1 45 45 GLY HA2 H 1 3.89 . . 2 . . . . 45 GLY HA2 . 16505 1 222 . 1 1 45 45 GLY CA C 13 45.50 . . 1 . . . . 45 GLY CA . 16505 1 223 . 1 1 45 45 GLY N N 15 109.85 . . 1 . . . . 45 GLY N . 16505 1 224 . 1 1 46 46 GLN H H 1 7.99 . . 1 . . . . 46 GLN H . 16505 1 225 . 1 1 46 46 GLN HA H 1 4.62 . . 1 . . . . 46 GLN HA . 16505 1 226 . 1 1 46 46 GLN HB2 H 1 2.08 . . 2 . . . . 46 GLN HB2 . 16505 1 227 . 1 1 46 46 GLN HB3 H 1 1.90 . . 2 . . . . 46 GLN HB3 . 16505 1 228 . 1 1 46 46 GLN HG2 H 1 2.34 . . 2 . . . . 46 GLN HG2 . 16505 1 229 . 1 1 46 46 GLN CA C 13 53.54 . . 1 . . . . 46 GLN CA . 16505 1 230 . 1 1 46 46 GLN CB C 13 29.15 . . 1 . . . . 46 GLN CB . 16505 1 231 . 1 1 46 46 GLN CG C 13 33.34 . . 1 . . . . 46 GLN CG . 16505 1 232 . 1 1 46 46 GLN N N 15 119.56 . . 1 . . . . 46 GLN N . 16505 1 233 . 1 1 47 47 PRO HA H 1 4.35 . . 1 . . . . 47 PRO HA . 16505 1 234 . 1 1 47 47 PRO HB2 H 1 1.80 . . 2 . . . . 47 PRO HB2 . 16505 1 235 . 1 1 47 47 PRO HB3 H 1 2.20 . . 2 . . . . 47 PRO HB3 . 16505 1 236 . 1 1 47 47 PRO HD2 H 1 3.73 . . 2 . . . . 47 PRO HD2 . 16505 1 237 . 1 1 47 47 PRO HD3 H 1 3.63 . . 2 . . . . 47 PRO HD3 . 16505 1 238 . 1 1 47 47 PRO HG2 H 1 1.92 . . 2 . . . . 47 PRO HG2 . 16505 1 239 . 1 1 47 47 PRO HG3 H 1 1.95 . . 2 . . . . 47 PRO HG3 . 16505 1 240 . 1 1 47 47 PRO CA C 13 63.25 . . 1 . . . . 47 PRO CA . 16505 1 241 . 1 1 47 47 PRO CB C 13 32.04 . . 1 . . . . 47 PRO CB . 16505 1 242 . 1 1 47 47 PRO CD C 13 50.41 . . 1 . . . . 47 PRO CD . 16505 1 243 . 1 1 47 47 PRO CG C 13 27.44 . . 1 . . . . 47 PRO CG . 16505 1 244 . 1 1 48 48 HIS H H 1 8.48 . . 1 . . . . 48 HIS H . 16505 1 245 . 1 1 48 48 HIS HA H 1 4.71 . . 1 . . . . 48 HIS HA . 16505 1 246 . 1 1 48 48 HIS HB2 H 1 3.29 . . 2 . . . . 48 HIS HB2 . 16505 1 247 . 1 1 48 48 HIS HB3 H 1 3.20 . . 2 . . . . 48 HIS HB3 . 16505 1 248 . 1 1 48 48 HIS CA C 13 55.26 . . 1 . . . . 48 HIS CA . 16505 1 249 . 1 1 48 48 HIS CB C 13 29.16 . . 1 . . . . 48 HIS CB . 16505 1 250 . 1 1 48 48 HIS N N 15 117.67 . . 1 . . . . 48 HIS N . 16505 1 251 . 1 1 49 49 GLY H H 1 8.36 . . 1 . . . . 49 GLY H . 16505 1 252 . 1 1 49 49 GLY CA C 13 45.50 . . 1 . . . . 49 GLY CA . 16505 1 253 . 1 1 49 49 GLY N N 15 109.22 . . 1 . . . . 49 GLY N . 16505 1 254 . 1 1 51 51 GLY HA2 H 1 3.94 . . 2 . . . . 51 GLY HA2 . 16505 1 255 . 1 1 51 51 GLY CA C 13 45.32 . . 1 . . . . 51 GLY CA . 16505 1 256 . 1 1 52 52 TRP H H 1 8.10 . . 1 . . . . 52 TRP H . 16505 1 257 . 1 1 52 52 TRP HA H 1 4.62 . . 1 . . . . 52 TRP HA . 16505 1 258 . 1 1 52 52 TRP HB2 H 1 3.37 . . 2 . . . . 52 TRP HB2 . 16505 1 259 . 1 1 52 52 TRP HB3 H 1 3.23 . . 2 . . . . 52 TRP HB3 . 16505 1 260 . 1 1 52 52 TRP HD1 H 1 7.27 . . 1 . . . . 52 TRP HD1 . 16505 1 261 . 1 1 52 52 TRP HE1 H 1 10.13 . . 1 . . . . 52 TRP HE1 . 16505 1 262 . 1 1 52 52 TRP HE3 H 1 7.60 . . 1 . . . . 52 TRP HE3 . 16505 1 263 . 1 1 52 52 TRP CA C 13 57.56 . . 1 . . . . 52 TRP CA . 16505 1 264 . 1 1 52 52 TRP CB C 13 29.60 . . 1 . . . . 52 TRP CB . 16505 1 265 . 1 1 52 52 TRP N N 15 120.52 . . 1 . . . . 52 TRP N . 16505 1 266 . 1 1 53 53 GLY H H 1 8.35 . . 1 . . . . 53 GLY H . 16505 1 267 . 1 1 53 53 GLY HA2 H 1 3.89 . . 2 . . . . 53 GLY HA2 . 16505 1 268 . 1 1 53 53 GLY CA C 13 45.50 . . 1 . . . . 53 GLY CA . 16505 1 269 . 1 1 53 53 GLY N N 15 109.85 . . 1 . . . . 53 GLY N . 16505 1 270 . 1 1 54 54 GLN H H 1 7.99 . . 1 . . . . 54 GLN H . 16505 1 271 . 1 1 54 54 GLN HA H 1 4.62 . . 1 . . . . 54 GLN HA . 16505 1 272 . 1 1 54 54 GLN HB2 H 1 2.08 . . 2 . . . . 54 GLN HB2 . 16505 1 273 . 1 1 54 54 GLN HB3 H 1 1.90 . . 2 . . . . 54 GLN HB3 . 16505 1 274 . 1 1 54 54 GLN HG2 H 1 2.34 . . 2 . . . . 54 GLN HG2 . 16505 1 275 . 1 1 54 54 GLN CA C 13 53.54 . . 1 . . . . 54 GLN CA . 16505 1 276 . 1 1 54 54 GLN CB C 13 29.15 . . 1 . . . . 54 GLN CB . 16505 1 277 . 1 1 54 54 GLN CG C 13 33.34 . . 1 . . . . 54 GLN CG . 16505 1 278 . 1 1 54 54 GLN N N 15 119.56 . . 1 . . . . 54 GLN N . 16505 1 279 . 1 1 55 55 PRO HA H 1 4.35 . . 1 . . . . 55 PRO HA . 16505 1 280 . 1 1 55 55 PRO HB2 H 1 1.80 . . 2 . . . . 55 PRO HB2 . 16505 1 281 . 1 1 55 55 PRO HB3 H 1 2.20 . . 2 . . . . 55 PRO HB3 . 16505 1 282 . 1 1 55 55 PRO HD2 H 1 3.73 . . 2 . . . . 55 PRO HD2 . 16505 1 283 . 1 1 55 55 PRO HD3 H 1 3.63 . . 2 . . . . 55 PRO HD3 . 16505 1 284 . 1 1 55 55 PRO HG2 H 1 1.92 . . 2 . . . . 55 PRO HG2 . 16505 1 285 . 1 1 55 55 PRO HG3 H 1 1.95 . . 2 . . . . 55 PRO HG3 . 16505 1 286 . 1 1 55 55 PRO CA C 13 63.25 . . 1 . . . . 55 PRO CA . 16505 1 287 . 1 1 55 55 PRO CB C 13 32.04 . . 1 . . . . 55 PRO CB . 16505 1 288 . 1 1 55 55 PRO CD C 13 50.41 . . 1 . . . . 55 PRO CD . 16505 1 289 . 1 1 55 55 PRO CG C 13 27.44 . . 1 . . . . 55 PRO CG . 16505 1 290 . 1 1 56 56 HIS H H 1 8.48 . . 1 . . . . 56 HIS H . 16505 1 291 . 1 1 56 56 HIS HA H 1 4.71 . . 1 . . . . 56 HIS HA . 16505 1 292 . 1 1 56 56 HIS HB2 H 1 3.29 . . 2 . . . . 56 HIS HB2 . 16505 1 293 . 1 1 56 56 HIS HB3 H 1 3.20 . . 2 . . . . 56 HIS HB3 . 16505 1 294 . 1 1 56 56 HIS CA C 13 55.26 . . 1 . . . . 56 HIS CA . 16505 1 295 . 1 1 56 56 HIS CB C 13 29.16 . . 1 . . . . 56 HIS CB . 16505 1 296 . 1 1 56 56 HIS N N 15 117.67 . . 1 . . . . 56 HIS N . 16505 1 297 . 1 1 57 57 GLY H H 1 8.36 . . 1 . . . . 57 GLY H . 16505 1 298 . 1 1 57 57 GLY CA C 13 45.50 . . 1 . . . . 57 GLY CA . 16505 1 299 . 1 1 57 57 GLY N N 15 109.22 . . 1 . . . . 57 GLY N . 16505 1 300 . 1 1 59 59 GLY HA2 H 1 3.94 . . 2 . . . . 59 GLY HA2 . 16505 1 301 . 1 1 59 59 GLY CA C 13 45.32 . . 1 . . . . 59 GLY CA . 16505 1 302 . 1 1 60 60 TRP H H 1 8.10 . . 1 . . . . 60 TRP H . 16505 1 303 . 1 1 60 60 TRP HA H 1 4.62 . . 1 . . . . 60 TRP HA . 16505 1 304 . 1 1 60 60 TRP HB2 H 1 3.37 . . 2 . . . . 60 TRP HB2 . 16505 1 305 . 1 1 60 60 TRP HB3 H 1 3.23 . . 2 . . . . 60 TRP HB3 . 16505 1 306 . 1 1 60 60 TRP HD1 H 1 7.27 . . 1 . . . . 60 TRP HD1 . 16505 1 307 . 1 1 60 60 TRP HE1 H 1 10.13 . . 1 . . . . 60 TRP HE1 . 16505 1 308 . 1 1 60 60 TRP HE3 H 1 7.60 . . 1 . . . . 60 TRP HE3 . 16505 1 309 . 1 1 60 60 TRP CA C 13 57.56 . . 1 . . . . 60 TRP CA . 16505 1 310 . 1 1 60 60 TRP CB C 13 29.60 . . 1 . . . . 60 TRP CB . 16505 1 311 . 1 1 60 60 TRP N N 15 120.52 . . 1 . . . . 60 TRP N . 16505 1 312 . 1 1 61 61 GLY H H 1 8.35 . . 1 . . . . 61 GLY H . 16505 1 313 . 1 1 61 61 GLY HA2 H 1 3.89 . . 2 . . . . 61 GLY HA2 . 16505 1 314 . 1 1 61 61 GLY CA C 13 45.50 . . 1 . . . . 61 GLY CA . 16505 1 315 . 1 1 61 61 GLY N N 15 109.85 . . 1 . . . . 61 GLY N . 16505 1 316 . 1 1 62 62 GLN H H 1 7.99 . . 1 . . . . 62 GLN H . 16505 1 317 . 1 1 62 62 GLN HA H 1 4.62 . . 1 . . . . 62 GLN HA . 16505 1 318 . 1 1 62 62 GLN HB2 H 1 2.08 . . 2 . . . . 62 GLN HB2 . 16505 1 319 . 1 1 62 62 GLN HB3 H 1 1.90 . . 2 . . . . 62 GLN HB3 . 16505 1 320 . 1 1 62 62 GLN HG2 H 1 2.34 . . 2 . . . . 62 GLN HG2 . 16505 1 321 . 1 1 62 62 GLN CA C 13 53.54 . . 1 . . . . 62 GLN CA . 16505 1 322 . 1 1 62 62 GLN CB C 13 29.15 . . 1 . . . . 62 GLN CB . 16505 1 323 . 1 1 62 62 GLN CG C 13 33.34 . . 1 . . . . 62 GLN CG . 16505 1 324 . 1 1 62 62 GLN N N 15 119.56 . . 1 . . . . 62 GLN N . 16505 1 325 . 1 1 63 63 PRO HA H 1 4.35 . . 1 . . . . 63 PRO HA . 16505 1 326 . 1 1 63 63 PRO HB2 H 1 1.80 . . 2 . . . . 63 PRO HB2 . 16505 1 327 . 1 1 63 63 PRO HB3 H 1 2.20 . . 2 . . . . 63 PRO HB3 . 16505 1 328 . 1 1 63 63 PRO HD2 H 1 3.73 . . 2 . . . . 63 PRO HD2 . 16505 1 329 . 1 1 63 63 PRO HD3 H 1 3.63 . . 2 . . . . 63 PRO HD3 . 16505 1 330 . 1 1 63 63 PRO HG2 H 1 1.92 . . 2 . . . . 63 PRO HG2 . 16505 1 331 . 1 1 63 63 PRO HG3 H 1 1.95 . . 2 . . . . 63 PRO HG3 . 16505 1 332 . 1 1 63 63 PRO CA C 13 63.25 . . 1 . . . . 63 PRO CA . 16505 1 333 . 1 1 63 63 PRO CB C 13 32.04 . . 1 . . . . 63 PRO CB . 16505 1 334 . 1 1 63 63 PRO CD C 13 50.41 . . 1 . . . . 63 PRO CD . 16505 1 335 . 1 1 63 63 PRO CG C 13 27.44 . . 1 . . . . 63 PRO CG . 16505 1 336 . 1 1 64 64 HIS H H 1 8.48 . . 1 . . . . 64 HIS H . 16505 1 337 . 1 1 64 64 HIS HA H 1 4.71 . . 1 . . . . 64 HIS HA . 16505 1 338 . 1 1 64 64 HIS HB2 H 1 3.29 . . 2 . . . . 64 HIS HB2 . 16505 1 339 . 1 1 64 64 HIS HB3 H 1 3.20 . . 2 . . . . 64 HIS HB3 . 16505 1 340 . 1 1 64 64 HIS CA C 13 55.26 . . 1 . . . . 64 HIS CA . 16505 1 341 . 1 1 64 64 HIS CB C 13 29.16 . . 1 . . . . 64 HIS CB . 16505 1 342 . 1 1 64 64 HIS N N 15 117.67 . . 1 . . . . 64 HIS N . 16505 1 343 . 1 1 65 65 GLY H H 1 8.36 . . 1 . . . . 65 GLY H . 16505 1 344 . 1 1 65 65 GLY CA C 13 45.50 . . 1 . . . . 65 GLY CA . 16505 1 345 . 1 1 65 65 GLY N N 15 109.22 . . 1 . . . . 65 GLY N . 16505 1 346 . 1 1 67 67 GLY HA2 H 1 3.94 . . 2 . . . . 67 GLY HA2 . 16505 1 347 . 1 1 67 67 GLY CA C 13 45.32 . . 1 . . . . 67 GLY CA . 16505 1 348 . 1 1 68 68 TRP H H 1 8.10 . . 1 . . . . 68 TRP H . 16505 1 349 . 1 1 68 68 TRP HA H 1 4.62 . . 1 . . . . 68 TRP HA . 16505 1 350 . 1 1 68 68 TRP HB2 H 1 3.37 . . 2 . . . . 68 TRP HB2 . 16505 1 351 . 1 1 68 68 TRP HB3 H 1 3.23 . . 2 . . . . 68 TRP HB3 . 16505 1 352 . 1 1 68 68 TRP HD1 H 1 7.27 . . 1 . . . . 68 TRP HD1 . 16505 1 353 . 1 1 68 68 TRP HE1 H 1 10.13 . . 1 . . . . 68 TRP HE1 . 16505 1 354 . 1 1 68 68 TRP HE3 H 1 7.60 . . 1 . . . . 68 TRP HE3 . 16505 1 355 . 1 1 68 68 TRP CA C 13 57.56 . . 1 . . . . 68 TRP CA . 16505 1 356 . 1 1 68 68 TRP CB C 13 29.60 . . 1 . . . . 68 TRP CB . 16505 1 357 . 1 1 68 68 TRP N N 15 120.52 . . 1 . . . . 68 TRP N . 16505 1 358 . 1 1 69 69 GLY H H 1 8.35 . . 1 . . . . 69 GLY H . 16505 1 359 . 1 1 69 69 GLY HA2 H 1 3.89 . . 2 . . . . 69 GLY HA2 . 16505 1 360 . 1 1 69 69 GLY CA C 13 45.50 . . 1 . . . . 69 GLY CA . 16505 1 361 . 1 1 69 69 GLY N N 15 109.85 . . 1 . . . . 69 GLY N . 16505 1 362 . 1 1 70 70 GLN H H 1 7.99 . . 1 . . . . 70 GLN H . 16505 1 363 . 1 1 70 70 GLN HA H 1 4.62 . . 1 . . . . 70 GLN HA . 16505 1 364 . 1 1 70 70 GLN HB2 H 1 2.08 . . 2 . . . . 70 GLN HB2 . 16505 1 365 . 1 1 70 70 GLN HB3 H 1 1.90 . . 2 . . . . 70 GLN HB3 . 16505 1 366 . 1 1 70 70 GLN HG2 H 1 2.34 . . 2 . . . . 70 GLN HG2 . 16505 1 367 . 1 1 70 70 GLN CA C 13 53.54 . . 1 . . . . 70 GLN CA . 16505 1 368 . 1 1 70 70 GLN CB C 13 29.15 . . 1 . . . . 70 GLN CB . 16505 1 369 . 1 1 70 70 GLN CG C 13 33.34 . . 1 . . . . 70 GLN CG . 16505 1 370 . 1 1 70 70 GLN N N 15 119.56 . . 1 . . . . 70 GLN N . 16505 1 371 . 1 1 74 74 THR H H 1 8.01 . . 1 . . . . 74 THR H . 16505 1 372 . 1 1 74 74 THR HA H 1 4.32 . . 1 . . . . 74 THR HA . 16505 1 373 . 1 1 74 74 THR HB H 1 4.22 . . 1 . . . . 74 THR HB . 16505 1 374 . 1 1 74 74 THR HG21 H 1 1.19 . . 1 . . . . 74 THR HG1 . 16505 1 375 . 1 1 74 74 THR HG22 H 1 1.19 . . 1 . . . . 74 THR HG1 . 16505 1 376 . 1 1 74 74 THR HG23 H 1 1.19 . . 1 . . . . 74 THR HG1 . 16505 1 377 . 1 1 74 74 THR CA C 13 62.18 . . 1 . . . . 74 THR CA . 16505 1 378 . 1 1 74 74 THR CB C 13 69.79 . . 1 . . . . 74 THR CB . 16505 1 379 . 1 1 74 74 THR CG2 C 13 21.74 . . 1 . . . . 74 THR CG2 . 16505 1 380 . 1 1 74 74 THR N N 15 112.66 . . 1 . . . . 74 THR N . 16505 1 381 . 1 1 75 75 HIS H H 1 8.44 . . 1 . . . . 75 HIS H . 16505 1 382 . 1 1 75 75 HIS HA H 1 4.72 . . 1 . . . . 75 HIS HA . 16505 1 383 . 1 1 75 75 HIS HB2 H 1 3.36 . . 2 . . . . 75 HIS HB2 . 16505 1 384 . 1 1 75 75 HIS HB3 H 1 3.09 . . 2 . . . . 75 HIS HB3 . 16505 1 385 . 1 1 75 75 HIS CA C 13 55.44 . . 1 . . . . 75 HIS CA . 16505 1 386 . 1 1 75 75 HIS CB C 13 28.69 . . 1 . . . . 75 HIS CB . 16505 1 387 . 1 1 75 75 HIS N N 15 119.56 . . 1 . . . . 75 HIS N . 16505 1 388 . 1 1 76 76 ASN H H 1 8.30 . . 1 . . . . 76 ASN H . 16505 1 389 . 1 1 76 76 ASN HA H 1 4.67 . . 1 . . . . 76 ASN HA . 16505 1 390 . 1 1 76 76 ASN HB2 H 1 2.74 . . 2 . . . . 76 ASN HB2 . 16505 1 391 . 1 1 76 76 ASN CA C 13 53.25 . . 1 . . . . 76 ASN CA . 16505 1 392 . 1 1 76 76 ASN CB C 13 39.05 . . 1 . . . . 76 ASN CB . 16505 1 393 . 1 1 76 76 ASN N N 15 118.87 . . 1 . . . . 76 ASN N . 16505 1 394 . 1 1 77 77 GLN H H 1 8.35 . . 1 . . . . 77 GLN H . 16505 1 395 . 1 1 77 77 GLN HA H 1 4.24 . . 1 . . . . 77 GLN HA . 16505 1 396 . 1 1 77 77 GLN HB2 H 1 1.98 . . 2 . . . . 77 GLN HB2 . 16505 1 397 . 1 1 77 77 GLN HB3 H 1 2.12 . . 2 . . . . 77 GLN HB3 . 16505 1 398 . 1 1 77 77 GLN HG2 H 1 2.17 . . 2 . . . . 77 GLN HG2 . 16505 1 399 . 1 1 77 77 GLN CA C 13 56.42 . . 1 . . . . 77 GLN CA . 16505 1 400 . 1 1 77 77 GLN CB C 13 29.20 . . 1 . . . . 77 GLN CB . 16505 1 401 . 1 1 77 77 GLN CG C 13 33.62 . . 1 . . . . 77 GLN CG . 16505 1 402 . 1 1 77 77 GLN N N 15 119.47 . . 1 . . . . 77 GLN N . 16505 1 403 . 1 1 78 78 TRP H H 1 8.08 . . 1 . . . . 78 TRP H . 16505 1 404 . 1 1 78 78 TRP HA H 1 4.68 . . 1 . . . . 78 TRP HA . 16505 1 405 . 1 1 78 78 TRP HB2 H 1 3.33 . . 2 . . . . 78 TRP HB2 . 16505 1 406 . 1 1 78 78 TRP CA C 13 57.43 . . 1 . . . . 78 TRP CA . 16505 1 407 . 1 1 78 78 TRP CB C 13 29.48 . . 1 . . . . 78 TRP CB . 16505 1 408 . 1 1 78 78 TRP N N 15 120.12 . . 1 . . . . 78 TRP N . 16505 1 409 . 1 1 79 79 ASN H H 1 8.10 . . 1 . . . . 79 ASN H . 16505 1 410 . 1 1 79 79 ASN HA H 1 4.71 . . 1 . . . . 79 ASN HA . 16505 1 411 . 1 1 79 79 ASN HB2 H 1 2.71 . . 2 . . . . 79 ASN HB2 . 16505 1 412 . 1 1 79 79 ASN CA C 13 52.94 . . 1 . . . . 79 ASN CA . 16505 1 413 . 1 1 79 79 ASN CB C 13 39.07 . . 1 . . . . 79 ASN CB . 16505 1 414 . 1 1 79 79 ASN N N 15 118.80 . . 1 . . . . 79 ASN N . 16505 1 415 . 1 1 80 80 LYS H H 1 7.91 . . 1 . . . . 80 LYS H . 16505 1 416 . 1 1 80 80 LYS HA H 1 4.53 . . 1 . . . . 80 LYS HA . 16505 1 417 . 1 1 80 80 LYS HB2 H 1 1.71 . . 2 . . . . 80 LYS HB2 . 16505 1 418 . 1 1 80 80 LYS HB3 H 1 1.85 . . 2 . . . . 80 LYS HB3 . 16505 1 419 . 1 1 80 80 LYS HD2 H 1 1.72 . . 2 . . . . 80 LYS HD2 . 16505 1 420 . 1 1 80 80 LYS HE2 H 1 3.03 . . 2 . . . . 80 LYS HE2 . 16505 1 421 . 1 1 80 80 LYS HG2 H 1 1.44 . . 2 . . . . 80 LYS HG2 . 16505 1 422 . 1 1 80 80 LYS CA C 13 54.39 . . 1 . . . . 80 LYS CA . 16505 1 423 . 1 1 80 80 LYS CB C 13 32.81 . . 1 . . . . 80 LYS CB . 16505 1 424 . 1 1 80 80 LYS CD C 13 29.15 . . 1 . . . . 80 LYS CD . 16505 1 425 . 1 1 80 80 LYS CE C 13 41.91 . . 1 . . . . 80 LYS CE . 16505 1 426 . 1 1 80 80 LYS CG C 13 24.43 . . 1 . . . . 80 LYS CG . 16505 1 427 . 1 1 80 80 LYS N N 15 121.48 . . 1 . . . . 80 LYS N . 16505 1 428 . 1 1 81 81 PRO HA H 1 4.50 . . 1 . . . . 81 PRO HA . 16505 1 429 . 1 1 81 81 PRO HB2 H 1 1.97 . . 2 . . . . 81 PRO HB2 . 16505 1 430 . 1 1 81 81 PRO HB3 H 1 2.32 . . 2 . . . . 81 PRO HB3 . 16505 1 431 . 1 1 81 81 PRO HD2 H 1 3.76 . . 2 . . . . 81 PRO HD2 . 16505 1 432 . 1 1 81 81 PRO HG2 H 1 2.04 . . 2 . . . . 81 PRO HG2 . 16505 1 433 . 1 1 81 81 PRO CA C 13 63.25 . . 1 . . . . 81 PRO CA . 16505 1 434 . 1 1 81 81 PRO CB C 13 32.18 . . 1 . . . . 81 PRO CB . 16505 1 435 . 1 1 81 81 PRO CD C 13 50.48 . . 1 . . . . 81 PRO CD . 16505 1 436 . 1 1 81 81 PRO CG C 13 27.30 . . 1 . . . . 81 PRO CG . 16505 1 437 . 1 1 82 82 SER H H 1 8.27 . . 1 . . . . 82 SER H . 16505 1 438 . 1 1 82 82 SER HA H 1 4.48 . . 1 . . . . 82 SER HA . 16505 1 439 . 1 1 82 82 SER HB2 H 1 3.89 . . 2 . . . . 82 SER HB2 . 16505 1 440 . 1 1 82 82 SER CA C 13 58.24 . . 1 . . . . 82 SER CA . 16505 1 441 . 1 1 82 82 SER CB C 13 64.09 . . 1 . . . . 82 SER CB . 16505 1 442 . 1 1 82 82 SER N N 15 115.48 . . 1 . . . . 82 SER N . 16505 1 443 . 1 1 83 83 LYS H H 1 8.19 . . 1 . . . . 83 LYS H . 16505 1 444 . 1 1 83 83 LYS HA H 1 4.62 . . 1 . . . . 83 LYS HA . 16505 1 445 . 1 1 83 83 LYS HB2 H 1 1.84 . . 2 . . . . 83 LYS HB2 . 16505 1 446 . 1 1 83 83 LYS HG2 H 1 1.51 . . 2 . . . . 83 LYS HG2 . 16505 1 447 . 1 1 83 83 LYS CA C 13 54.30 . . 1 . . . . 83 LYS CA . 16505 1 448 . 1 1 83 83 LYS CB C 13 32.84 . . 1 . . . . 83 LYS CB . 16505 1 449 . 1 1 83 83 LYS N N 15 123.66 . . 1 . . . . 83 LYS N . 16505 1 450 . 1 1 84 84 PRO HA H 1 4.46 . . 1 . . . . 84 PRO HA . 16505 1 451 . 1 1 84 84 PRO HB2 H 1 2.32 . . 2 . . . . 84 PRO HB2 . 16505 1 452 . 1 1 84 84 PRO HB3 H 1 1.99 . . 2 . . . . 84 PRO HB3 . 16505 1 453 . 1 1 84 84 PRO HD2 H 1 3.69 . . 2 . . . . 84 PRO HD2 . 16505 1 454 . 1 1 84 84 PRO HD3 H 1 3.81 . . 2 . . . . 84 PRO HD3 . 16505 1 455 . 1 1 84 84 PRO HG2 H 1 2.04 . . 2 . . . . 84 PRO HG2 . 16505 1 456 . 1 1 84 84 PRO CA C 13 63.46 . . 1 . . . . 84 PRO CA . 16505 1 457 . 1 1 84 84 PRO CB C 13 32.04 . . 1 . . . . 84 PRO CB . 16505 1 458 . 1 1 84 84 PRO CD C 13 50.51 . . 1 . . . . 84 PRO CD . 16505 1 459 . 1 1 84 84 PRO CG C 13 27.44 . . 1 . . . . 84 PRO CG . 16505 1 460 . 1 1 85 85 LYS H H 1 7.87 . . 1 . . . . 85 LYS H . 16505 1 461 . 1 1 85 85 LYS HA H 1 4.21 . . 1 . . . . 85 LYS HA . 16505 1 462 . 1 1 85 85 LYS HB2 H 1 1.90 . . 2 . . . . 85 LYS HB2 . 16505 1 463 . 1 1 85 85 LYS HB3 H 1 1.76 . . 2 . . . . 85 LYS HB3 . 16505 1 464 . 1 1 85 85 LYS HD2 H 1 1.74 . . 2 . . . . 85 LYS HD2 . 16505 1 465 . 1 1 85 85 LYS HE2 H 1 3.06 . . 2 . . . . 85 LYS HE2 . 16505 1 466 . 1 1 85 85 LYS HG2 H 1 1.48 . . 2 . . . . 85 LYS HG2 . 16505 1 467 . 1 1 85 85 LYS CA C 13 57.39 . . 1 . . . . 85 LYS CA . 16505 1 468 . 1 1 85 85 LYS CB C 13 34.18 . . 1 . . . . 85 LYS CB . 16505 1 469 . 1 1 85 85 LYS CD C 13 29.01 . . 1 . . . . 85 LYS CD . 16505 1 470 . 1 1 85 85 LYS CG C 13 24.85 . . 1 . . . . 85 LYS CG . 16505 1 471 . 1 1 85 85 LYS N N 15 125.86 . . 1 . . . . 85 LYS N . 16505 1 stop_ save_