data_6528 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6528 _Entry.Title ; 1H, 15N and 13C Assignments for the R2 Domain of Choline Binding Protein A (CbpA) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-02 _Entry.Accession_date 2005-03-02 _Entry.Last_release_date 2005-08-22 _Entry.Original_release_date 2005-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Rensheng Luo . . . 6528 2 Richard Kriwacki . W . 6528 3 Beth Mann . . . 6528 4 Elaine Tuomanen . . . 6528 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'St Jude Children's research Hospital' . 6528 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6528 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 563 6528 '15N chemical shifts' 119 6528 '1H chemical shifts' 862 6528 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 . . 2005-08-22 2005-03-02 original author . 6528 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6528 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR assignment of the R2 domain of pneumococcal choline binding protein A (CbpA)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 93 _Citation.Page_last 93 _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 Rensheng Luo . . . 6528 1 2 Beth Mann . . . 6528 1 3 Elaine Tuomanen . . . 6528 1 4 Richard Kriwacki . W. . 6528 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Binding Protein A (CbpA); R2 Domain' 6528 1 'NMR Assignments' 6528 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6528 _Assembly.ID 1 _Assembly.Name CbpA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 13580 _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 protein 6528 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 Choline_binding_protein_A_R2_domain 1 $CbpA-R2 . . no native no no . . . 6528 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CbpA-R2 _Entity.Sf_category entity _Entity.Sf_framecode CbpA-R2 _Entity.Entry_ID 6528 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Choline binding protein A R2 domain' _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 ; GSHMPEKKVAEAEKKVEEAK KKAEDQKEEDRRNYPTNTYK TLELEIAESDVEVKKAELEL VKEEAKEPRNEEKVKQAKAE VESKKAEATRLEKIKTDRKK AEEEAKRKAAEEDKVKEKPA E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 13580 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Zhang, J. R., Mostov, K. E., Lamm, M. E., Nanno, M., Shimida, S., Ohwaki, M. and Tuomanen, E. (2000) Cell, 102, 827-837.' _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 PDB 1W9R . "Solution Structure Of Choline Binding Protein A, Domain R2, The Major Adhesin Of Streptococcus Pneumoniae" . . . . . 98.35 119 100.00 100.00 2.34e-68 . . . . 6528 1 2 no GB AAK72975 . "choline-binding protein A CbpA [Streptococcus pneumoniae]" . . . . . 86.78 107 99.05 100.00 7.11e-57 . . . . 6528 1 3 no GB AAK72978 . "choline-binding protein A CbpA [Streptococcus pneumoniae]" . . . . . 86.78 107 100.00 100.00 3.21e-57 . . . . 6528 1 4 no GB EGI81953 . "cell wall binding repeat family protein [Streptococcus pneumoniae GA41301]" . . . . . 58.68 336 97.18 98.59 5.32e-32 . . . . 6528 1 5 no GB EHD40149 . "cell wall binding repeat family protein [Streptococcus pneumoniae GA43265]" . . . . . 58.68 317 98.59 100.00 2.98e-32 . . . . 6528 1 6 no GB EHD46487 . "pneumococcal surface protein A [Streptococcus pneumoniae GA16531]" . . . . . 58.68 336 98.59 100.00 2.28e-32 . . . . 6528 1 7 no REF WP_033707817 . "choline-binding protein A [Streptococcus pneumoniae]" . . . . . 73.55 699 97.75 98.88 7.89e-44 . . . . 6528 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'essential for pneumococcal virulence and pathogenesis in humans' 6528 1 'mediates invasion of human cells by S. pneumoniae' 6528 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Choline binding protein A-R2 domain' . 6528 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID CbpA 6528 1 'Choline binding protein A' 6528 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 . GLY . 6528 1 2 . SER . 6528 1 3 . HIS . 6528 1 4 . MET . 6528 1 5 . PRO . 6528 1 6 . GLU . 6528 1 7 . LYS . 6528 1 8 . LYS . 6528 1 9 . VAL . 6528 1 10 . ALA . 6528 1 11 . GLU . 6528 1 12 . ALA . 6528 1 13 . GLU . 6528 1 14 . LYS . 6528 1 15 . LYS . 6528 1 16 . VAL . 6528 1 17 . GLU . 6528 1 18 . GLU . 6528 1 19 . ALA . 6528 1 20 . LYS . 6528 1 21 . LYS . 6528 1 22 . LYS . 6528 1 23 . ALA . 6528 1 24 . GLU . 6528 1 25 . ASP . 6528 1 26 . GLN . 6528 1 27 . LYS . 6528 1 28 . GLU . 6528 1 29 . GLU . 6528 1 30 . ASP . 6528 1 31 . ARG . 6528 1 32 . ARG . 6528 1 33 . ASN . 6528 1 34 . TYR . 6528 1 35 . PRO . 6528 1 36 . THR . 6528 1 37 . ASN . 6528 1 38 . THR . 6528 1 39 . TYR . 6528 1 40 . LYS . 6528 1 41 . THR . 6528 1 42 . LEU . 6528 1 43 . GLU . 6528 1 44 . LEU . 6528 1 45 . GLU . 6528 1 46 . ILE . 6528 1 47 . ALA . 6528 1 48 . GLU . 6528 1 49 . SER . 6528 1 50 . ASP . 6528 1 51 . VAL . 6528 1 52 . GLU . 6528 1 53 . VAL . 6528 1 54 . LYS . 6528 1 55 . LYS . 6528 1 56 . ALA . 6528 1 57 . GLU . 6528 1 58 . LEU . 6528 1 59 . GLU . 6528 1 60 . LEU . 6528 1 61 . VAL . 6528 1 62 . LYS . 6528 1 63 . GLU . 6528 1 64 . GLU . 6528 1 65 . ALA . 6528 1 66 . LYS . 6528 1 67 . GLU . 6528 1 68 . PRO . 6528 1 69 . ARG . 6528 1 70 . ASN . 6528 1 71 . GLU . 6528 1 72 . GLU . 6528 1 73 . LYS . 6528 1 74 . VAL . 6528 1 75 . LYS . 6528 1 76 . GLN . 6528 1 77 . ALA . 6528 1 78 . LYS . 6528 1 79 . ALA . 6528 1 80 . GLU . 6528 1 81 . VAL . 6528 1 82 . GLU . 6528 1 83 . SER . 6528 1 84 . LYS . 6528 1 85 . LYS . 6528 1 86 . ALA . 6528 1 87 . GLU . 6528 1 88 . ALA . 6528 1 89 . THR . 6528 1 90 . ARG . 6528 1 91 . LEU . 6528 1 92 . GLU . 6528 1 93 . LYS . 6528 1 94 . ILE . 6528 1 95 . LYS . 6528 1 96 . THR . 6528 1 97 . ASP . 6528 1 98 . ARG . 6528 1 99 . LYS . 6528 1 100 . LYS . 6528 1 101 . ALA . 6528 1 102 . GLU . 6528 1 103 . GLU . 6528 1 104 . GLU . 6528 1 105 . ALA . 6528 1 106 . LYS . 6528 1 107 . ARG . 6528 1 108 . LYS . 6528 1 109 . ALA . 6528 1 110 . ALA . 6528 1 111 . GLU . 6528 1 112 . GLU . 6528 1 113 . ASP . 6528 1 114 . LYS . 6528 1 115 . VAL . 6528 1 116 . LYS . 6528 1 117 . GLU . 6528 1 118 . LYS . 6528 1 119 . PRO . 6528 1 120 . ALA . 6528 1 121 . GLU . 6528 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 . GLY 1 1 6528 1 . SER 2 2 6528 1 . HIS 3 3 6528 1 . MET 4 4 6528 1 . PRO 5 5 6528 1 . GLU 6 6 6528 1 . LYS 7 7 6528 1 . LYS 8 8 6528 1 . VAL 9 9 6528 1 . ALA 10 10 6528 1 . GLU 11 11 6528 1 . ALA 12 12 6528 1 . GLU 13 13 6528 1 . LYS 14 14 6528 1 . LYS 15 15 6528 1 . VAL 16 16 6528 1 . GLU 17 17 6528 1 . GLU 18 18 6528 1 . ALA 19 19 6528 1 . LYS 20 20 6528 1 . LYS 21 21 6528 1 . LYS 22 22 6528 1 . ALA 23 23 6528 1 . GLU 24 24 6528 1 . ASP 25 25 6528 1 . GLN 26 26 6528 1 . LYS 27 27 6528 1 . GLU 28 28 6528 1 . GLU 29 29 6528 1 . ASP 30 30 6528 1 . ARG 31 31 6528 1 . ARG 32 32 6528 1 . ASN 33 33 6528 1 . TYR 34 34 6528 1 . PRO 35 35 6528 1 . THR 36 36 6528 1 . ASN 37 37 6528 1 . THR 38 38 6528 1 . TYR 39 39 6528 1 . LYS 40 40 6528 1 . THR 41 41 6528 1 . LEU 42 42 6528 1 . GLU 43 43 6528 1 . LEU 44 44 6528 1 . GLU 45 45 6528 1 . ILE 46 46 6528 1 . ALA 47 47 6528 1 . GLU 48 48 6528 1 . SER 49 49 6528 1 . ASP 50 50 6528 1 . VAL 51 51 6528 1 . GLU 52 52 6528 1 . VAL 53 53 6528 1 . LYS 54 54 6528 1 . LYS 55 55 6528 1 . ALA 56 56 6528 1 . GLU 57 57 6528 1 . LEU 58 58 6528 1 . GLU 59 59 6528 1 . LEU 60 60 6528 1 . VAL 61 61 6528 1 . LYS 62 62 6528 1 . GLU 63 63 6528 1 . GLU 64 64 6528 1 . ALA 65 65 6528 1 . LYS 66 66 6528 1 . GLU 67 67 6528 1 . PRO 68 68 6528 1 . ARG 69 69 6528 1 . ASN 70 70 6528 1 . GLU 71 71 6528 1 . GLU 72 72 6528 1 . LYS 73 73 6528 1 . VAL 74 74 6528 1 . LYS 75 75 6528 1 . GLN 76 76 6528 1 . ALA 77 77 6528 1 . LYS 78 78 6528 1 . ALA 79 79 6528 1 . GLU 80 80 6528 1 . VAL 81 81 6528 1 . GLU 82 82 6528 1 . SER 83 83 6528 1 . LYS 84 84 6528 1 . LYS 85 85 6528 1 . ALA 86 86 6528 1 . GLU 87 87 6528 1 . ALA 88 88 6528 1 . THR 89 89 6528 1 . ARG 90 90 6528 1 . LEU 91 91 6528 1 . GLU 92 92 6528 1 . LYS 93 93 6528 1 . ILE 94 94 6528 1 . LYS 95 95 6528 1 . THR 96 96 6528 1 . ASP 97 97 6528 1 . ARG 98 98 6528 1 . LYS 99 99 6528 1 . LYS 100 100 6528 1 . ALA 101 101 6528 1 . GLU 102 102 6528 1 . GLU 103 103 6528 1 . GLU 104 104 6528 1 . ALA 105 105 6528 1 . LYS 106 106 6528 1 . ARG 107 107 6528 1 . LYS 108 108 6528 1 . ALA 109 109 6528 1 . ALA 110 110 6528 1 . GLU 111 111 6528 1 . GLU 112 112 6528 1 . ASP 113 113 6528 1 . LYS 114 114 6528 1 . VAL 115 115 6528 1 . LYS 116 116 6528 1 . GLU 117 117 6528 1 . LYS 118 118 6528 1 . PRO 119 119 6528 1 . ALA 120 120 6528 1 . GLU 121 121 6528 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 6528 _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 $CbpA-R2 . . . no . 'not applicable' . . Other 'Not applicable' 'not applicable' 'not applicable' TIGR4 . . . . . . . . . . . . . pET-28a . . . ; cDNA for CbpA-R2 (residues 329-445) was amplified using PCR with genomic DNA from the TIGR4 strain of S. pneumoniae as the template and subcloned into pET-28a (Novagen). The expression vector with a N-terminal His tag was introduced into E. coli strain BL21(DE3). ; . . 6528 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 6528 _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 $CbpA-R2 . 'recombinant technology' . . . . . . 'TIGR4 strain of S. pneumoniae' . . . . . . BL21(DE3). . . . . AAK76241 pET-28a . . . . . . . . . 6528 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6528 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium phosphate buffer with 10% D2O and 0.02% sodium azide (pH 5.0) and the concentration is ~1.8 mM' _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 Choline_binding_protein_A_R2_domain '[U-2H; U-13C; U-15N]' 1 $assembly 1 $CbpA-R2 . . 1.8 . . mM . . . . 6528 1 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 6528 1 3 'sodium azide' . . . . . . . 0.02 . . % . . . . 6528 1 4 D2O . . . . . . . 10 . . % . . . . 6528 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6528 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10 mM sodium phosphate buffer with 10% D2O and 0.02% sodium azide (pH 5.0) and then concentrated to ~1.8 mM' 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 0.1 pH 6528 1 temperature 298 0.2 K 6528 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6528 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Accelerys . . 6528 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'analysis NMR data' 6528 1 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6528 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G. W., Zhu, G., Pfeifer, J. and Bax, A. (1995) J. Biomol. NMR, 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'process NMR data' 6528 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 6528 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800MHz save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 6528 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600MHz save_ save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 6528 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900MHz save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6528 _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 1H15N_HSQC no . . . . . . . . . . . $sample_1 isotropic . . 1 $conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 6528 1 2 '3D CT-HNCA, CT-HN(CO)CA' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 3 '3D TROSY-HNCO, TROSY-HN(CA)CO' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 4 '3D TROSY-HNCACB, TROSY-HN(CO)CACB' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 5 '4D 15N/15N-NOESY,' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 6 '4D TROSY-HNCOCA, TROSY-HNCACO' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 7 '3D HCCH-TOCSY, HCCH-COSY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 8 C(CO)NH-TOCSY,HBHA(CBCACO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 9 '3D 13C and 15N-NOESY-HSQC,' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 10 '4D 13C/13C and 13C/15N NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6528 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6528 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _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 1 _NMR_spec_expt.NMR_spectrometer_label $800 _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_TROSY-HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_TROSY-HNCACB _NMR_spec_expt.Entry_ID 6528 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_TROSY-HNCACB _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 2 _NMR_spec_expt.NMR_spectrometer_label $600 _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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CO)CACB _NMR_spec_expt.Entry_ID 6528 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HN(CO)CACB _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 2 _NMR_spec_expt.NMR_spectrometer_label $600 _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 1 _NMR_spec_expt.Software_label $software_1 _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6528 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6528 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6528 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6528 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6528 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 ; The 1H-15N resonances that appeared have been completely assigned. Resonances for all side chain have been assigned except for several nuclei in residues E422 to E428. In conclusion, the extent of CbpA-R2 assignment is: 100% of the amide resonances, 94% of alpha C, 94% of alpha H, 93% of CB and 94% of 1H and 13C side-chain resonances. ; _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 1H15N_HSQC 1 $sample_1 isotropic 6528 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 GLY HA2 H 1 3.88 0.02 . 1 . . . . 1 GLY HA2 . 6528 1 2 . 1 1 1 1 GLY HA3 H 1 3.88 0.02 . 1 . . . . 1 GLY HA3 . 6528 1 3 . 1 1 1 1 GLY C C 13 173.87 0.30 . 1 . . . . 1 GLY C . 6528 1 4 . 1 1 1 1 GLY CA C 13 43.20 0.30 . 1 . . . . 1 GLY CA . 6528 1 5 . 1 1 1 1 GLY N N 15 107.60 0.20 . 1 . . . . 1 GLY N . 6528 1 6 . 1 1 2 2 SER H H 1 8.73 0.02 . 1 . . . . 2 SER H . 6528 1 7 . 1 1 2 2 SER HA H 1 4.45 0.02 . 1 . . . . 2 SER HA . 6528 1 8 . 1 1 2 2 SER HB2 H 1 3.82 0.02 . 1 . . . . 2 SER HB2 . 6528 1 9 . 1 1 2 2 SER HB3 H 1 3.82 0.02 . 1 . . . . 2 SER HB3 . 6528 1 10 . 1 1 2 2 SER C C 13 174.62 0.30 . 1 . . . . 2 SER C . 6528 1 11 . 1 1 2 2 SER CA C 13 58.20 0.30 . 1 . . . . 2 SER CA . 6528 1 12 . 1 1 2 2 SER CB C 13 64.00 0.30 . 1 . . . . 2 SER CB . 6528 1 13 . 1 1 2 2 SER N N 15 116.50 0.20 . 1 . . . . 2 SER N . 6528 1 14 . 1 1 3 3 HIS H H 1 8.74 0.02 . 1 . . . . 3 HIS H . 6528 1 15 . 1 1 3 3 HIS HA H 1 4.75 0.02 . 1 . . . . 3 HIS HA . 6528 1 16 . 1 1 3 3 HIS HB2 H 1 3.29 0.02 . 1 . . . . 3 HIS HB2 . 6528 1 17 . 1 1 3 3 HIS HB3 H 1 3.17 0.02 . 1 . . . . 3 HIS HB3 . 6528 1 18 . 1 1 3 3 HIS HD1 H 1 8.57 0.02 . 1 . . . . 3 HIS HD1 . 6528 1 19 . 1 1 3 3 HIS HD2 H 1 8.57 0.02 . 1 . . . . 3 HIS HD2 . 6528 1 20 . 1 1 3 3 HIS HE1 H 1 7.27 0.02 . 1 . . . . 3 HIS HE1 . 6528 1 21 . 1 1 3 3 HIS HE2 H 1 7.27 0.02 . 1 . . . . 3 HIS HE2 . 6528 1 22 . 1 1 3 3 HIS C C 13 174.97 0.30 . 1 . . . . 3 HIS C . 6528 1 23 . 1 1 3 3 HIS CA C 13 55.40 0.30 . 1 . . . . 3 HIS CA . 6528 1 24 . 1 1 3 3 HIS CB C 13 29.00 0.30 . 1 . . . . 3 HIS CB . 6528 1 25 . 1 1 3 3 HIS CG C 13 130.59 0.30 . 9 . . . . 3 HIS CG . 6528 1 26 . 1 1 3 3 HIS N N 15 121.60 0.20 . 1 . . . . 3 HIS N . 6528 1 27 . 1 1 4 4 MET H H 1 8.54 0.02 . 1 . . . . 4 MET H . 6528 1 28 . 1 1 4 4 MET HA H 1 4.74 0.02 . 1 . . . . 4 MET HA . 6528 1 29 . 1 1 4 4 MET HB2 H 1 2.06 0.02 . 1 . . . . 4 MET HB2 . 6528 1 30 . 1 1 4 4 MET HB3 H 1 1.98 0.02 . 1 . . . . 4 MET HB3 . 6528 1 31 . 1 1 4 4 MET HG2 H 1 2.55 0.02 . 1 . . . . 4 MET HG2 . 6528 1 32 . 1 1 4 4 MET HG3 H 1 2.60 0.02 . 1 . . . . 4 MET HG3 . 6528 1 33 . 1 1 4 4 MET HE1 H 1 2.11 0.02 . 1 . . . . 4 MET HE . 6528 1 34 . 1 1 4 4 MET HE2 H 1 2.11 0.02 . 1 . . . . 4 MET HE . 6528 1 35 . 1 1 4 4 MET HE3 H 1 2.11 0.02 . 1 . . . . 4 MET HE . 6528 1 36 . 1 1 4 4 MET C C 13 174.00 0.30 . 9 . . . . 4 MET C . 6528 1 37 . 1 1 4 4 MET CA C 13 54.30 0.30 . 1 . . . . 4 MET CA . 6528 1 38 . 1 1 4 4 MET CB C 13 31.90 0.30 . 1 . . . . 4 MET CB . 6528 1 39 . 1 1 4 4 MET CG C 13 31.74 0.30 . 1 . . . . 4 MET CG . 6528 1 40 . 1 1 4 4 MET CE C 13 17.13 0.30 . 1 . . . . 4 MET CE . 6528 1 41 . 1 1 4 4 MET N N 15 124.05 0.20 . 1 . . . . 4 MET N . 6528 1 42 . 1 1 5 5 PRO HA H 1 4.38 0.02 . 1 . . . . 5 PRO HA . 6528 1 43 . 1 1 5 5 PRO HB2 H 1 2.29 0.02 . 1 . . . . 5 PRO HB2 . 6528 1 44 . 1 1 5 5 PRO HB3 H 1 1.88 0.02 . 1 . . . . 5 PRO HB3 . 6528 1 45 . 1 1 5 5 PRO HG2 H 1 2.04 0.02 . 1 . . . . 5 PRO HG2 . 6528 1 46 . 1 1 5 5 PRO HG3 H 1 2.04 0.02 . 1 . . . . 5 PRO HG3 . 6528 1 47 . 1 1 5 5 PRO HD2 H 1 3.79 0.02 . 1 . . . . 5 PRO HD2 . 6528 1 48 . 1 1 5 5 PRO HD3 H 1 3.68 0.02 . 1 . . . . 5 PRO HD3 . 6528 1 49 . 1 1 5 5 PRO C C 13 177.30 0.30 . 1 . . . . 5 PRO C . 6528 1 50 . 1 1 5 5 PRO CA C 13 63.78 0.30 . 1 . . . . 5 PRO CA . 6528 1 51 . 1 1 5 5 PRO CB C 13 32.00 0.30 . 1 . . . . 5 PRO CB . 6528 1 52 . 1 1 5 5 PRO CG C 13 27.40 0.30 . 1 . . . . 5 PRO CG . 6528 1 53 . 1 1 5 5 PRO CD C 13 50.50 0.30 . 1 . . . . 5 PRO CD . 6528 1 54 . 1 1 5 5 PRO N N 15 119.00 0.20 . 1 . . . . 5 PRO N . 6528 1 55 . 1 1 6 6 GLU H H 1 8.71 0.02 . 1 . . . . 6 GLU H . 6528 1 56 . 1 1 6 6 GLU HA H 1 4.17 0.02 . 1 . . . . 6 GLU HA . 6528 1 57 . 1 1 6 6 GLU HB2 H 1 2.04 0.02 . 1 . . . . 6 GLU HB2 . 6528 1 58 . 1 1 6 6 GLU HB3 H 1 2.11 0.02 . 1 . . . . 6 GLU HB3 . 6528 1 59 . 1 1 6 6 GLU HG2 H 1 2.36 0.02 . 1 . . . . 6 GLU HG2 . 6528 1 60 . 1 1 6 6 GLU HG3 H 1 2.36 0.02 . 1 . . . . 6 GLU HG3 . 6528 1 61 . 1 1 6 6 GLU C C 13 177.90 0.30 . 1 . . . . 6 GLU C . 6528 1 62 . 1 1 6 6 GLU CA C 13 57.60 0.30 . 1 . . . . 6 GLU CA . 6528 1 63 . 1 1 6 6 GLU CB C 13 29.47 0.30 . 1 . . . . 6 GLU CB . 6528 1 64 . 1 1 6 6 GLU CG C 13 36.50 0.30 . 1 . . . . 6 GLU CG . 6528 1 65 . 1 1 6 6 GLU CD C 13 174.00 0.30 . 9 . . . . 6 GLU CD . 6528 1 66 . 1 1 6 6 GLU N N 15 121.92 0.20 . 1 . . . . 6 GLU N . 6528 1 67 . 1 1 7 7 LYS H H 1 8.41 0.02 . 1 . . . . 7 LYS H . 6528 1 68 . 1 1 7 7 LYS HA H 1 4.19 0.02 . 1 . . . . 7 LYS HA . 6528 1 69 . 1 1 7 7 LYS HB2 H 1 1.90 0.02 . 1 . . . . 7 LYS HB2 . 6528 1 70 . 1 1 7 7 LYS HB3 H 1 1.90 0.02 . 1 . . . . 7 LYS HB3 . 6528 1 71 . 1 1 7 7 LYS HG2 H 1 1.50 0.02 . 1 . . . . 7 LYS HG2 . 6528 1 72 . 1 1 7 7 LYS HG3 H 1 1.41 0.02 . 1 . . . . 7 LYS HG3 . 6528 1 73 . 1 1 7 7 LYS HD2 H 1 1.69 0.02 . 1 . . . . 7 LYS HD2 . 6528 1 74 . 1 1 7 7 LYS HD3 H 1 1.69 0.02 . 1 . . . . 7 LYS HD3 . 6528 1 75 . 1 1 7 7 LYS HE2 H 1 2.96 0.02 . 1 . . . . 7 LYS HE2 . 6528 1 76 . 1 1 7 7 LYS HE3 H 1 2.96 0.02 . 1 . . . . 7 LYS HE3 . 6528 1 77 . 1 1 7 7 LYS C C 13 178.10 0.30 . 1 . . . . 7 LYS C . 6528 1 78 . 1 1 7 7 LYS CA C 13 58.85 0.30 . 1 . . . . 7 LYS CA . 6528 1 79 . 1 1 7 7 LYS CB C 13 32.60 0.30 . 1 . . . . 7 LYS CB . 6528 1 80 . 1 1 7 7 LYS CG C 13 24.94 0.30 . 1 . . . . 7 LYS CG . 6528 1 81 . 1 1 7 7 LYS CD C 13 29.16 0.30 . 1 . . . . 7 LYS CD . 6528 1 82 . 1 1 7 7 LYS CE C 13 42.13 0.30 . 1 . . . . 7 LYS CE . 6528 1 83 . 1 1 7 7 LYS N N 15 124.00 0.20 . 1 . . . . 7 LYS N . 6528 1 84 . 1 1 8 8 LYS H H 1 8.35 0.02 . 1 . . . . 8 LYS H . 6528 1 85 . 1 1 8 8 LYS HA H 1 4.12 0.02 . 1 . . . . 8 LYS HA . 6528 1 86 . 1 1 8 8 LYS HB2 H 1 1.90 0.02 . 1 . . . . 8 LYS HB2 . 6528 1 87 . 1 1 8 8 LYS HB3 H 1 1.90 0.02 . 1 . . . . 8 LYS HB3 . 6528 1 88 . 1 1 8 8 LYS HG2 H 1 1.45 0.02 . 1 . . . . 8 LYS HG2 . 6528 1 89 . 1 1 8 8 LYS HG3 H 1 1.57 0.02 . 1 . . . . 8 LYS HG3 . 6528 1 90 . 1 1 8 8 LYS HD2 H 1 1.58 0.02 . 1 . . . . 8 LYS HD2 . 6528 1 91 . 1 1 8 8 LYS HD3 H 1 1.58 0.02 . 1 . . . . 8 LYS HD3 . 6528 1 92 . 1 1 8 8 LYS HE2 H 1 2.91 0.02 . 1 . . . . 8 LYS HE2 . 6528 1 93 . 1 1 8 8 LYS HE3 H 1 2.91 0.02 . 1 . . . . 8 LYS HE3 . 6528 1 94 . 1 1 8 8 LYS C C 13 179.24 0.30 . 1 . . . . 8 LYS C . 6528 1 95 . 1 1 8 8 LYS CA C 13 59.20 0.30 . 1 . . . . 8 LYS CA . 6528 1 96 . 1 1 8 8 LYS CB C 13 32.30 0.30 . 1 . . . . 8 LYS CB . 6528 1 97 . 1 1 8 8 LYS CG C 13 25.40 0.30 . 1 . . . . 8 LYS CG . 6528 1 98 . 1 1 8 8 LYS CD C 13 28.80 0.30 . 1 . . . . 8 LYS CD . 6528 1 99 . 1 1 8 8 LYS CE C 13 42.00 0.30 . 1 . . . . 8 LYS CE . 6528 1 100 . 1 1 8 8 LYS N N 15 119.63 0.20 . 1 . . . . 8 LYS N . 6528 1 101 . 1 1 9 9 VAL H H 1 7.82 0.02 . 1 . . . . 9 VAL H . 6528 1 102 . 1 1 9 9 VAL HA H 1 3.51 0.02 . 1 . . . . 9 VAL HA . 6528 1 103 . 1 1 9 9 VAL HB H 1 2.13 0.02 . 1 . . . . 9 VAL HB . 6528 1 104 . 1 1 9 9 VAL HG11 H 1 0.91 0.02 . 1 . . . . 9 VAL HG1 . 6528 1 105 . 1 1 9 9 VAL HG12 H 1 0.91 0.02 . 1 . . . . 9 VAL HG1 . 6528 1 106 . 1 1 9 9 VAL HG13 H 1 0.91 0.02 . 1 . . . . 9 VAL HG1 . 6528 1 107 . 1 1 9 9 VAL HG21 H 1 0.88 0.02 . 1 . . . . 9 VAL HG2 . 6528 1 108 . 1 1 9 9 VAL HG22 H 1 0.88 0.02 . 1 . . . . 9 VAL HG2 . 6528 1 109 . 1 1 9 9 VAL HG23 H 1 0.88 0.02 . 1 . . . . 9 VAL HG2 . 6528 1 110 . 1 1 9 9 VAL C C 13 177.00 0.30 . 1 . . . . 9 VAL C . 6528 1 111 . 1 1 9 9 VAL CA C 13 66.64 0.30 . 1 . . . . 9 VAL CA . 6528 1 112 . 1 1 9 9 VAL CB C 13 31.50 0.30 . 1 . . . . 9 VAL CB . 6528 1 113 . 1 1 9 9 VAL CG1 C 13 22.75 0.30 . 1 . . . . 9 VAL CG1 . 6528 1 114 . 1 1 9 9 VAL CG2 C 13 21.35 0.30 . 1 . . . . 9 VAL CG2 . 6528 1 115 . 1 1 9 9 VAL N N 15 121.88 0.20 . 1 . . . . 9 VAL N . 6528 1 116 . 1 1 10 10 ALA H H 1 7.96 0.02 . 1 . . . . 10 ALA H . 6528 1 117 . 1 1 10 10 ALA HA H 1 4.20 0.02 . 1 . . . . 10 ALA HA . 6528 1 118 . 1 1 10 10 ALA HB1 H 1 1.52 0.02 . 1 . . . . 10 ALA HB . 6528 1 119 . 1 1 10 10 ALA HB2 H 1 1.52 0.02 . 1 . . . . 10 ALA HB . 6528 1 120 . 1 1 10 10 ALA HB3 H 1 1.52 0.02 . 1 . . . . 10 ALA HB . 6528 1 121 . 1 1 10 10 ALA C C 13 178.40 0.30 . 1 . . . . 10 ALA C . 6528 1 122 . 1 1 10 10 ALA CA C 13 55.10 0.30 . 1 . . . . 10 ALA CA . 6528 1 123 . 1 1 10 10 ALA CB C 13 17.90 0.30 . 1 . . . . 10 ALA CB . 6528 1 124 . 1 1 10 10 ALA N N 15 123.03 0.20 . 1 . . . . 10 ALA N . 6528 1 125 . 1 1 11 11 GLU H H 1 8.24 0.02 . 1 . . . . 11 GLU H . 6528 1 126 . 1 1 11 11 GLU HA H 1 4.15 0.02 . 1 . . . . 11 GLU HA . 6528 1 127 . 1 1 11 11 GLU HB2 H 1 1.94 0.02 . 1 . . . . 11 GLU HB2 . 6528 1 128 . 1 1 11 11 GLU HB3 H 1 1.94 0.02 . 1 . . . . 11 GLU HB3 . 6528 1 129 . 1 1 11 11 GLU HG2 H 1 2.29 0.02 . 1 . . . . 11 GLU HG2 . 6528 1 130 . 1 1 11 11 GLU HG3 H 1 2.29 0.02 . 1 . . . . 11 GLU HG3 . 6528 1 131 . 1 1 11 11 GLU C C 13 178.20 0.30 . 1 . . . . 11 GLU C . 6528 1 132 . 1 1 11 11 GLU CA C 13 58.39 0.30 . 1 . . . . 11 GLU CA . 6528 1 133 . 1 1 11 11 GLU CB C 13 29.75 0.30 . 1 . . . . 11 GLU CB . 6528 1 134 . 1 1 11 11 GLU CG C 13 35.80 0.30 . 1 . . . . 11 GLU CG . 6528 1 135 . 1 1 11 11 GLU CD C 13 174.00 0.30 . 9 . . . . 11 GLU CD . 6528 1 136 . 1 1 11 11 GLU N N 15 119.29 0.20 . 1 . . . . 11 GLU N . 6528 1 137 . 1 1 12 12 ALA H H 1 7.89 0.02 . 1 . . . . 12 ALA H . 6528 1 138 . 1 1 12 12 ALA HA H 1 4.20 0.02 . 1 . . . . 12 ALA HA . 6528 1 139 . 1 1 12 12 ALA HB1 H 1 1.61 0.02 . 1 . . . . 12 ALA HB . 6528 1 140 . 1 1 12 12 ALA HB2 H 1 1.61 0.02 . 1 . . . . 12 ALA HB . 6528 1 141 . 1 1 12 12 ALA HB3 H 1 1.61 0.02 . 1 . . . . 12 ALA HB . 6528 1 142 . 1 1 12 12 ALA C C 13 178.72 0.30 . 1 . . . . 12 ALA C . 6528 1 143 . 1 1 12 12 ALA CA C 13 55.25 0.30 . 1 . . . . 12 ALA CA . 6528 1 144 . 1 1 12 12 ALA CB C 13 18.61 0.30 . 1 . . . . 12 ALA CB . 6528 1 145 . 1 1 12 12 ALA N N 15 123.42 0.20 . 1 . . . . 12 ALA N . 6528 1 146 . 1 1 13 13 GLU H H 1 8.91 0.02 . 1 . . . . 13 GLU H . 6528 1 147 . 1 1 13 13 GLU HA H 1 4.12 0.02 . 1 . . . . 13 GLU HA . 6528 1 148 . 1 1 13 13 GLU HB2 H 1 1.86 0.02 . 1 . . . . 13 GLU HB2 . 6528 1 149 . 1 1 13 13 GLU HB3 H 1 1.93 0.02 . 1 . . . . 13 GLU HB3 . 6528 1 150 . 1 1 13 13 GLU HG2 H 1 2.34 0.02 . 1 . . . . 13 GLU HG2 . 6528 1 151 . 1 1 13 13 GLU HG3 H 1 2.34 0.02 . 1 . . . . 13 GLU HG3 . 6528 1 152 . 1 1 13 13 GLU C C 13 178.80 0.30 . 1 . . . . 13 GLU C . 6528 1 153 . 1 1 13 13 GLU CA C 13 58.90 0.30 . 1 . . . . 13 GLU CA . 6528 1 154 . 1 1 13 13 GLU CB C 13 32.20 0.30 . 1 . . . . 13 GLU CB . 6528 1 155 . 1 1 13 13 GLU CG C 13 35.60 0.30 . 1 . . . . 13 GLU CG . 6528 1 156 . 1 1 13 13 GLU CD C 13 174.00 0.30 . 9 . . . . 13 GLU CD . 6528 1 157 . 1 1 13 13 GLU N N 15 122.67 0.20 . 1 . . . . 13 GLU N . 6528 1 158 . 1 1 14 14 LYS H H 1 8.03 0.02 . 1 . . . . 14 LYS H . 6528 1 159 . 1 1 14 14 LYS HA H 1 4.12 0.02 . 1 . . . . 14 LYS HA . 6528 1 160 . 1 1 14 14 LYS HB2 H 1 1.95 0.02 . 1 . . . . 14 LYS HB2 . 6528 1 161 . 1 1 14 14 LYS HB3 H 1 1.95 0.02 . 1 . . . . 14 LYS HB3 . 6528 1 162 . 1 1 14 14 LYS HG2 H 1 1.46 0.02 . 1 . . . . 14 LYS HG2 . 6528 1 163 . 1 1 14 14 LYS HG3 H 1 1.61 0.02 . 1 . . . . 14 LYS HG3 . 6528 1 164 . 1 1 14 14 LYS HD2 H 1 1.71 0.02 . 1 . . . . 14 LYS HD2 . 6528 1 165 . 1 1 14 14 LYS HD3 H 1 1.71 0.02 . 1 . . . . 14 LYS HD3 . 6528 1 166 . 1 1 14 14 LYS HE2 H 1 2.96 0.02 . 1 . . . . 14 LYS HE2 . 6528 1 167 . 1 1 14 14 LYS HE3 H 1 2.96 0.02 . 1 . . . . 14 LYS HE3 . 6528 1 168 . 1 1 14 14 LYS C C 13 180.72 0.30 . 1 . . . . 14 LYS C . 6528 1 169 . 1 1 14 14 LYS CA C 13 58.71 0.30 . 1 . . . . 14 LYS CA . 6528 1 170 . 1 1 14 14 LYS CB C 13 31.91 0.30 . 1 . . . . 14 LYS CB . 6528 1 171 . 1 1 14 14 LYS CG C 13 24.80 0.30 . 1 . . . . 14 LYS CG . 6528 1 172 . 1 1 14 14 LYS CD C 13 28.90 0.30 . 1 . . . . 14 LYS CD . 6528 1 173 . 1 1 14 14 LYS CE C 13 41.84 0.30 . 1 . . . . 14 LYS CE . 6528 1 174 . 1 1 14 14 LYS N N 15 122.80 0.20 . 1 . . . . 14 LYS N . 6528 1 175 . 1 1 15 15 LYS H H 1 7.80 0.02 . 1 . . . . 15 LYS H . 6528 1 176 . 1 1 15 15 LYS HA H 1 4.16 0.02 . 1 . . . . 15 LYS HA . 6528 1 177 . 1 1 15 15 LYS HB2 H 1 2.10 0.02 . 1 . . . . 15 LYS HB2 . 6528 1 178 . 1 1 15 15 LYS HB3 H 1 2.10 0.02 . 1 . . . . 15 LYS HB3 . 6528 1 179 . 1 1 15 15 LYS HG2 H 1 1.57 0.02 . 1 . . . . 15 LYS HG2 . 6528 1 180 . 1 1 15 15 LYS HG3 H 1 1.76 0.02 . 1 . . . . 15 LYS HG3 . 6528 1 181 . 1 1 15 15 LYS HD2 H 1 1.74 0.02 . 1 . . . . 15 LYS HD2 . 6528 1 182 . 1 1 15 15 LYS HD3 H 1 1.74 0.02 . 1 . . . . 15 LYS HD3 . 6528 1 183 . 1 1 15 15 LYS HE2 H 1 2.99 0.02 . 1 . . . . 15 LYS HE2 . 6528 1 184 . 1 1 15 15 LYS HE3 H 1 2.99 0.02 . 1 . . . . 15 LYS HE3 . 6528 1 185 . 1 1 15 15 LYS C C 13 179.24 0.30 . 1 . . . . 15 LYS C . 6528 1 186 . 1 1 15 15 LYS CA C 13 59.10 0.30 . 1 . . . . 15 LYS CA . 6528 1 187 . 1 1 15 15 LYS CB C 13 31.80 0.30 . 1 . . . . 15 LYS CB . 6528 1 188 . 1 1 15 15 LYS CG C 13 25.10 0.30 . 1 . . . . 15 LYS CG . 6528 1 189 . 1 1 15 15 LYS CD C 13 28.70 0.30 . 1 . . . . 15 LYS CD . 6528 1 190 . 1 1 15 15 LYS CE C 13 41.84 0.30 . 1 . . . . 15 LYS CE . 6528 1 191 . 1 1 15 15 LYS N N 15 118.00 0.20 . 1 . . . . 15 LYS N . 6528 1 192 . 1 1 16 16 VAL H H 1 7.63 0.02 . 1 . . . . 16 VAL H . 6528 1 193 . 1 1 16 16 VAL HA H 1 3.54 0.02 . 1 . . . . 16 VAL HA . 6528 1 194 . 1 1 16 16 VAL HB H 1 2.40 0.02 . 1 . . . . 16 VAL HB . 6528 1 195 . 1 1 16 16 VAL HG11 H 1 1.02 0.02 . 1 . . . . 16 VAL HG1 . 6528 1 196 . 1 1 16 16 VAL HG12 H 1 1.02 0.02 . 1 . . . . 16 VAL HG1 . 6528 1 197 . 1 1 16 16 VAL HG13 H 1 1.02 0.02 . 1 . . . . 16 VAL HG1 . 6528 1 198 . 1 1 16 16 VAL HG21 H 1 0.97 0.02 . 1 . . . . 16 VAL HG2 . 6528 1 199 . 1 1 16 16 VAL HG22 H 1 0.97 0.02 . 1 . . . . 16 VAL HG2 . 6528 1 200 . 1 1 16 16 VAL HG23 H 1 0.97 0.02 . 1 . . . . 16 VAL HG2 . 6528 1 201 . 1 1 16 16 VAL C C 13 177.15 0.30 . 1 . . . . 16 VAL C . 6528 1 202 . 1 1 16 16 VAL CA C 13 67.41 0.30 . 1 . . . . 16 VAL CA . 6528 1 203 . 1 1 16 16 VAL CB C 13 31.66 0.30 . 1 . . . . 16 VAL CB . 6528 1 204 . 1 1 16 16 VAL CG1 C 13 24.00 0.30 . 1 . . . . 16 VAL CG1 . 6528 1 205 . 1 1 16 16 VAL CG2 C 13 21.97 0.30 . 1 . . . . 16 VAL CG2 . 6528 1 206 . 1 1 16 16 VAL N N 15 121.25 0.20 . 1 . . . . 16 VAL N . 6528 1 207 . 1 1 17 17 GLU H H 1 7.78 0.02 . 1 . . . . 17 GLU H . 6528 1 208 . 1 1 17 17 GLU HA H 1 3.99 0.02 . 1 . . . . 17 GLU HA . 6528 1 209 . 1 1 17 17 GLU HB2 H 1 2.15 0.02 . 1 . . . . 17 GLU HB2 . 6528 1 210 . 1 1 17 17 GLU HB3 H 1 2.20 0.02 . 1 . . . . 17 GLU HB3 . 6528 1 211 . 1 1 17 17 GLU HG2 H 1 2.35 0.02 . 1 . . . . 17 GLU HG2 . 6528 1 212 . 1 1 17 17 GLU HG3 H 1 2.35 0.02 . 1 . . . . 17 GLU HG3 . 6528 1 213 . 1 1 17 17 GLU C C 13 176.80 0.30 . 1 . . . . 17 GLU C . 6528 1 214 . 1 1 17 17 GLU CA C 13 59.60 0.30 . 1 . . . . 17 GLU CA . 6528 1 215 . 1 1 17 17 GLU CB C 13 28.80 0.30 . 1 . . . . 17 GLU CB . 6528 1 216 . 1 1 17 17 GLU CG C 13 35.30 0.30 . 1 . . . . 17 GLU CG . 6528 1 217 . 1 1 17 17 GLU CD C 13 174.00 0.30 . 9 . . . . 17 GLU CD . 6528 1 218 . 1 1 17 17 GLU N N 15 120.68 0.20 . 1 . . . . 17 GLU N . 6528 1 219 . 1 1 18 18 GLU H H 1 8.55 0.02 . 1 . . . . 18 GLU H . 6528 1 220 . 1 1 18 18 GLU HA H 1 4.08 0.02 . 1 . . . . 18 GLU HA . 6528 1 221 . 1 1 18 18 GLU HB2 H 1 2.28 0.02 . 1 . . . . 18 GLU HB2 . 6528 1 222 . 1 1 18 18 GLU HB3 H 1 2.08 0.02 . 1 . . . . 18 GLU HB3 . 6528 1 223 . 1 1 18 18 GLU HG2 H 1 2.30 0.02 . 1 . . . . 18 GLU HG2 . 6528 1 224 . 1 1 18 18 GLU HG3 H 1 2.49 0.02 . 1 . . . . 18 GLU HG3 . 6528 1 225 . 1 1 18 18 GLU C C 13 174.00 0.30 . 9 . . . . 18 GLU C . 6528 1 226 . 1 1 18 18 GLU CA C 13 59.20 0.30 . 1 . . . . 18 GLU CA . 6528 1 227 . 1 1 18 18 GLU CB C 13 29.80 0.30 . 1 . . . . 18 GLU CB . 6528 1 228 . 1 1 18 18 GLU CG C 13 35.90 0.30 . 1 . . . . 18 GLU CG . 6528 1 229 . 1 1 18 18 GLU CD C 13 174.00 0.30 . 9 . . . . 18 GLU CD . 6528 1 230 . 1 1 18 18 GLU N N 15 120.50 0.20 . 1 . . . . 18 GLU N . 6528 1 231 . 1 1 19 19 ALA H H 1 8.05 0.02 . 1 . . . . 19 ALA H . 6528 1 232 . 1 1 19 19 ALA HA H 1 4.29 0.02 . 1 . . . . 19 ALA HA . 6528 1 233 . 1 1 19 19 ALA HB1 H 1 1.54 0.02 . 1 . . . . 19 ALA HB . 6528 1 234 . 1 1 19 19 ALA HB2 H 1 1.54 0.02 . 1 . . . . 19 ALA HB . 6528 1 235 . 1 1 19 19 ALA HB3 H 1 1.54 0.02 . 1 . . . . 19 ALA HB . 6528 1 236 . 1 1 19 19 ALA C C 13 181.00 0.30 . 1 . . . . 19 ALA C . 6528 1 237 . 1 1 19 19 ALA CA C 13 54.96 0.30 . 1 . . . . 19 ALA CA . 6528 1 238 . 1 1 19 19 ALA CB C 13 17.73 0.30 . 1 . . . . 19 ALA CB . 6528 1 239 . 1 1 19 19 ALA N N 15 124.03 0.20 . 1 . . . . 19 ALA N . 6528 1 240 . 1 1 20 20 LYS H H 1 8.92 0.02 . 1 . . . . 20 LYS H . 6528 1 241 . 1 1 20 20 LYS HA H 1 3.92 0.02 . 1 . . . . 20 LYS HA . 6528 1 242 . 1 1 20 20 LYS HB2 H 1 1.95 0.02 . 1 . . . . 20 LYS HB2 . 6528 1 243 . 1 1 20 20 LYS HB3 H 1 1.95 0.02 . 1 . . . . 20 LYS HB3 . 6528 1 244 . 1 1 20 20 LYS HG2 H 1 1.74 0.02 . 1 . . . . 20 LYS HG2 . 6528 1 245 . 1 1 20 20 LYS HG3 H 1 1.46 0.02 . 1 . . . . 20 LYS HG3 . 6528 1 246 . 1 1 20 20 LYS HD2 H 1 1.64 0.02 . 1 . . . . 20 LYS HD2 . 6528 1 247 . 1 1 20 20 LYS HD3 H 1 1.64 0.02 . 1 . . . . 20 LYS HD3 . 6528 1 248 . 1 1 20 20 LYS HE2 H 1 2.95 0.02 . 1 . . . . 20 LYS HE2 . 6528 1 249 . 1 1 20 20 LYS HE3 H 1 2.95 0.02 . 1 . . . . 20 LYS HE3 . 6528 1 250 . 1 1 20 20 LYS C C 13 178.80 0.30 . 1 . . . . 20 LYS C . 6528 1 251 . 1 1 20 20 LYS CA C 13 60.20 0.30 . 1 . . . . 20 LYS CA . 6528 1 252 . 1 1 20 20 LYS CB C 13 32.00 0.30 . 1 . . . . 20 LYS CB . 6528 1 253 . 1 1 20 20 LYS CG C 13 26.00 0.30 . 1 . . . . 20 LYS CG . 6528 1 254 . 1 1 20 20 LYS CD C 13 29.48 0.30 . 1 . . . . 20 LYS CD . 6528 1 255 . 1 1 20 20 LYS CE C 13 41.55 0.30 . 1 . . . . 20 LYS CE . 6528 1 256 . 1 1 21 21 LYS H H 1 7.90 0.02 . 1 . . . . 21 LYS H . 6528 1 257 . 1 1 21 21 LYS HA H 1 4.12 0.02 . 1 . . . . 21 LYS HA . 6528 1 258 . 1 1 21 21 LYS HB2 H 1 1.98 0.02 . 1 . . . . 21 LYS HB2 . 6528 1 259 . 1 1 21 21 LYS HB3 H 1 1.98 0.02 . 1 . . . . 21 LYS HB3 . 6528 1 260 . 1 1 21 21 LYS HG2 H 1 1.51 0.02 . 1 . . . . 21 LYS HG2 . 6528 1 261 . 1 1 21 21 LYS HG3 H 1 1.51 0.02 . 1 . . . . 21 LYS HG3 . 6528 1 262 . 1 1 21 21 LYS HD2 H 1 1.70 0.02 . 1 . . . . 21 LYS HD2 . 6528 1 263 . 1 1 21 21 LYS HD3 H 1 1.70 0.02 . 1 . . . . 21 LYS HD3 . 6528 1 264 . 1 1 21 21 LYS HE2 H 1 2.94 0.02 . 1 . . . . 21 LYS HE2 . 6528 1 265 . 1 1 21 21 LYS HE3 H 1 2.94 0.02 . 1 . . . . 21 LYS HE3 . 6528 1 266 . 1 1 21 21 LYS C C 13 178.10 0.30 . 1 . . . . 21 LYS C . 6528 1 267 . 1 1 21 21 LYS CA C 13 59.00 0.30 . 1 . . . . 21 LYS CA . 6528 1 268 . 1 1 21 21 LYS CB C 13 31.80 0.30 . 1 . . . . 21 LYS CB . 6528 1 269 . 1 1 21 21 LYS CG C 13 24.80 0.30 . 1 . . . . 21 LYS CG . 6528 1 270 . 1 1 21 21 LYS CD C 13 28.30 0.30 . 1 . . . . 21 LYS CD . 6528 1 271 . 1 1 21 21 LYS CE C 13 42.30 0.30 . 1 . . . . 21 LYS CE . 6528 1 272 . 1 1 21 21 LYS N N 15 121.94 0.20 . 1 . . . . 21 LYS N . 6528 1 273 . 1 1 22 22 LYS H H 1 7.77 0.02 . 1 . . . . 22 LYS H . 6528 1 274 . 1 1 22 22 LYS HA H 1 4.20 0.02 . 1 . . . . 22 LYS HA . 6528 1 275 . 1 1 22 22 LYS HB2 H 1 1.97 0.02 . 1 . . . . 22 LYS HB2 . 6528 1 276 . 1 1 22 22 LYS HB3 H 1 1.97 0.02 . 1 . . . . 22 LYS HB3 . 6528 1 277 . 1 1 22 22 LYS HG2 H 1 1.62 0.02 . 1 . . . . 22 LYS HG2 . 6528 1 278 . 1 1 22 22 LYS HG3 H 1 1.58 0.02 . 1 . . . . 22 LYS HG3 . 6528 1 279 . 1 1 22 22 LYS HD2 H 1 1.78 0.02 . 1 . . . . 22 LYS HD2 . 6528 1 280 . 1 1 22 22 LYS HD3 H 1 1.78 0.02 . 1 . . . . 22 LYS HD3 . 6528 1 281 . 1 1 22 22 LYS HE2 H 1 2.96 0.02 . 1 . . . . 22 LYS HE2 . 6528 1 282 . 1 1 22 22 LYS HE3 H 1 2.96 0.02 . 1 . . . . 22 LYS HE3 . 6528 1 283 . 1 1 22 22 LYS C C 13 177.50 0.30 . 1 . . . . 22 LYS C . 6528 1 284 . 1 1 22 22 LYS CA C 13 59.20 0.30 . 1 . . . . 22 LYS CA . 6528 1 285 . 1 1 22 22 LYS CB C 13 31.80 0.30 . 1 . . . . 22 LYS CB . 6528 1 286 . 1 1 22 22 LYS CG C 13 24.90 0.30 . 1 . . . . 22 LYS CG . 6528 1 287 . 1 1 22 22 LYS CD C 13 28.80 0.30 . 1 . . . . 22 LYS CD . 6528 1 288 . 1 1 22 22 LYS CE C 13 41.84 0.30 . 1 . . . . 22 LYS CE . 6528 1 289 . 1 1 22 22 LYS N N 15 119.70 0.20 . 1 . . . . 22 LYS N . 6528 1 290 . 1 1 23 23 ALA H H 1 7.96 0.02 . 1 . . . . 23 ALA H . 6528 1 291 . 1 1 23 23 ALA HA H 1 4.20 0.02 . 1 . . . . 23 ALA HA . 6528 1 292 . 1 1 23 23 ALA HB1 H 1 1.47 0.02 . 1 . . . . 23 ALA HB . 6528 1 293 . 1 1 23 23 ALA HB2 H 1 1.47 0.02 . 1 . . . . 23 ALA HB . 6528 1 294 . 1 1 23 23 ALA HB3 H 1 1.47 0.02 . 1 . . . . 23 ALA HB . 6528 1 295 . 1 1 23 23 ALA C C 13 179.10 0.30 . 1 . . . . 23 ALA C . 6528 1 296 . 1 1 23 23 ALA CA C 13 53.71 0.30 . 1 . . . . 23 ALA CA . 6528 1 297 . 1 1 23 23 ALA CB C 13 18.28 0.30 . 1 . . . . 23 ALA CB . 6528 1 298 . 1 1 23 23 ALA N N 15 122.36 0.20 . 1 . . . . 23 ALA N . 6528 1 299 . 1 1 24 24 GLU H H 1 8.32 0.02 . 1 . . . . 24 GLU H . 6528 1 300 . 1 1 24 24 GLU HA H 1 4.01 0.02 . 1 . . . . 24 GLU HA . 6528 1 301 . 1 1 24 24 GLU HB2 H 1 2.21 0.02 . 1 . . . . 24 GLU HB2 . 6528 1 302 . 1 1 24 24 GLU HB3 H 1 2.21 0.02 . 1 . . . . 24 GLU HB3 . 6528 1 303 . 1 1 24 24 GLU HG2 H 1 2.45 0.02 . 1 . . . . 24 GLU HG2 . 6528 1 304 . 1 1 24 24 GLU HG3 H 1 2.45 0.02 . 1 . . . . 24 GLU HG3 . 6528 1 305 . 1 1 24 24 GLU C C 13 179.40 0.30 . 1 . . . . 24 GLU C . 6528 1 306 . 1 1 24 24 GLU CA C 13 59.10 0.30 . 1 . . . . 24 GLU CA . 6528 1 307 . 1 1 24 24 GLU CB C 13 28.50 0.30 . 1 . . . . 24 GLU CB . 6528 1 308 . 1 1 24 24 GLU CG C 13 35.40 0.30 . 1 . . . . 24 GLU CG . 6528 1 309 . 1 1 24 24 GLU CD C 13 174.00 0.30 . 9 . . . . 24 GLU CD . 6528 1 310 . 1 1 24 24 GLU N N 15 121.21 0.20 . 1 . . . . 24 GLU N . 6528 1 311 . 1 1 25 25 ASP H H 1 8.78 0.02 . 1 . . . . 25 ASP H . 6528 1 312 . 1 1 25 25 ASP HA H 1 4.42 0.02 . 1 . . . . 25 ASP HA . 6528 1 313 . 1 1 25 25 ASP HB2 H 1 2.84 0.02 . 1 . . . . 25 ASP HB2 . 6528 1 314 . 1 1 25 25 ASP HB3 H 1 2.69 0.02 . 1 . . . . 25 ASP HB3 . 6528 1 315 . 1 1 25 25 ASP C C 13 179.00 0.30 . 1 . . . . 25 ASP C . 6528 1 316 . 1 1 25 25 ASP CA C 13 57.00 0.30 . 1 . . . . 25 ASP CA . 6528 1 317 . 1 1 25 25 ASP CB C 13 39.40 0.30 . 1 . . . . 25 ASP CB . 6528 1 318 . 1 1 25 25 ASP CG C 13 177.84 0.30 . 1 . . . . 25 ASP CG . 6528 1 319 . 1 1 25 25 ASP N N 15 121.84 0.20 . 1 . . . . 25 ASP N . 6528 1 320 . 1 1 26 26 GLN H H 1 8.23 0.02 . 1 . . . . 26 GLN H . 6528 1 321 . 1 1 26 26 GLN HA H 1 3.94 0.02 . 1 . . . . 26 GLN HA . 6528 1 322 . 1 1 26 26 GLN HB2 H 1 2.29 0.02 . 1 . . . . 26 GLN HB2 . 6528 1 323 . 1 1 26 26 GLN HB3 H 1 2.13 0.02 . 1 . . . . 26 GLN HB3 . 6528 1 324 . 1 1 26 26 GLN HG2 H 1 2.40 0.02 . 1 . . . . 26 GLN HG2 . 6528 1 325 . 1 1 26 26 GLN HG3 H 1 2.40 0.02 . 1 . . . . 26 GLN HG3 . 6528 1 326 . 1 1 26 26 GLN HE21 H 1 7.11 0.02 . 1 . . . . 26 GLN HE21 . 6528 1 327 . 1 1 26 26 GLN HE22 H 1 7.12 0.02 . 1 . . . . 26 GLN HE22 . 6528 1 328 . 1 1 26 26 GLN C C 13 176.95 0.30 . 1 . . . . 26 GLN C . 6528 1 329 . 1 1 26 26 GLN CA C 13 57.68 0.30 . 1 . . . . 26 GLN CA . 6528 1 330 . 1 1 26 26 GLN CB C 13 28.10 0.30 . 1 . . . . 26 GLN CB . 6528 1 331 . 1 1 26 26 GLN CG C 13 35.30 0.30 . 1 . . . . 26 GLN CG . 6528 1 332 . 1 1 26 26 GLN CD C 13 179.14 0.30 . 1 . . . . 26 GLN CD . 6528 1 333 . 1 1 26 26 GLN N N 15 121.95 0.20 . 1 . . . . 26 GLN N . 6528 1 334 . 1 1 26 26 GLN NE2 N 15 111.80 0.20 . 1 . . . . 26 GLN NE2 . 6528 1 335 . 1 1 27 27 LYS H H 1 8.32 0.02 . 1 . . . . 27 LYS H . 6528 1 336 . 1 1 27 27 LYS HA H 1 4.15 0.02 . 1 . . . . 27 LYS HA . 6528 1 337 . 1 1 27 27 LYS HB2 H 1 1.99 0.02 . 1 . . . . 27 LYS HB2 . 6528 1 338 . 1 1 27 27 LYS HB3 H 1 1.92 0.02 . 1 . . . . 27 LYS HB3 . 6528 1 339 . 1 1 27 27 LYS HG2 H 1 1.47 0.02 . 1 . . . . 27 LYS HG2 . 6528 1 340 . 1 1 27 27 LYS HG3 H 1 1.57 0.02 . 1 . . . . 27 LYS HG3 . 6528 1 341 . 1 1 27 27 LYS HD2 H 1 1.73 0.02 . 1 . . . . 27 LYS HD2 . 6528 1 342 . 1 1 27 27 LYS HD3 H 1 1.73 0.02 . 1 . . . . 27 LYS HD3 . 6528 1 343 . 1 1 27 27 LYS HE2 H 1 2.97 0.02 . 1 . . . . 27 LYS HE2 . 6528 1 344 . 1 1 27 27 LYS HE3 H 1 2.97 0.02 . 1 . . . . 27 LYS HE3 . 6528 1 345 . 1 1 27 27 LYS C C 13 178.50 0.30 . 1 . . . . 27 LYS C . 6528 1 346 . 1 1 27 27 LYS CA C 13 59.10 0.30 . 1 . . . . 27 LYS CA . 6528 1 347 . 1 1 27 27 LYS CB C 13 31.98 0.30 . 1 . . . . 27 LYS CB . 6528 1 348 . 1 1 27 27 LYS CG C 13 24.53 0.30 . 1 . . . . 27 LYS CG . 6528 1 349 . 1 1 27 27 LYS CD C 13 28.86 0.30 . 1 . . . . 27 LYS CD . 6528 1 350 . 1 1 27 27 LYS CE C 13 41.84 0.30 . 1 . . . . 27 LYS CE . 6528 1 351 . 1 1 27 27 LYS N N 15 121.40 0.20 . 1 . . . . 27 LYS N . 6528 1 352 . 1 1 28 28 GLU H H 1 8.04 0.02 . 1 . . . . 28 GLU H . 6528 1 353 . 1 1 28 28 GLU HA H 1 4.12 0.02 . 1 . . . . 28 GLU HA . 6528 1 354 . 1 1 28 28 GLU HB2 H 1 2.14 0.02 . 1 . . . . 28 GLU HB2 . 6528 1 355 . 1 1 28 28 GLU HB3 H 1 2.02 0.02 . 1 . . . . 28 GLU HB3 . 6528 1 356 . 1 1 28 28 GLU HG2 H 1 2.43 0.02 . 1 . . . . 28 GLU HG2 . 6528 1 357 . 1 1 28 28 GLU HG3 H 1 2.41 0.02 . 1 . . . . 28 GLU HG3 . 6528 1 358 . 1 1 28 28 GLU C C 13 178.90 0.30 . 1 . . . . 28 GLU C . 6528 1 359 . 1 1 28 28 GLU CA C 13 58.50 0.30 . 1 . . . . 28 GLU CA . 6528 1 360 . 1 1 28 28 GLU CB C 13 28.70 0.30 . 1 . . . . 28 GLU CB . 6528 1 361 . 1 1 28 28 GLU CG C 13 35.10 0.30 . 1 . . . . 28 GLU CG . 6528 1 362 . 1 1 28 28 GLU CD C 13 174.00 0.30 . 1 . . . . 28 GLU CD . 6528 1 363 . 1 1 28 28 GLU N N 15 120.02 0.20 . 1 . . . . 28 GLU N . 6528 1 364 . 1 1 29 29 GLU H H 1 8.29 0.02 . 1 . . . . 29 GLU H . 6528 1 365 . 1 1 29 29 GLU HA H 1 3.98 0.02 . 1 . . . . 29 GLU HA . 6528 1 366 . 1 1 29 29 GLU HB2 H 1 2.14 0.02 . 1 . . . . 29 GLU HB2 . 6528 1 367 . 1 1 29 29 GLU HB3 H 1 2.14 0.02 . 1 . . . . 29 GLU HB3 . 6528 1 368 . 1 1 29 29 GLU HG2 H 1 2.28 0.02 . 1 . . . . 29 GLU HG2 . 6528 1 369 . 1 1 29 29 GLU HG3 H 1 2.31 0.02 . 1 . . . . 29 GLU HG3 . 6528 1 370 . 1 1 29 29 GLU C C 13 178.70 0.30 . 1 . . . . 29 GLU C . 6528 1 371 . 1 1 29 29 GLU CA C 13 59.30 0.30 . 1 . . . . 29 GLU CA . 6528 1 372 . 1 1 29 29 GLU CB C 13 28.90 0.30 . 1 . . . . 29 GLU CB . 6528 1 373 . 1 1 29 29 GLU CG C 13 35.30 0.30 . 1 . . . . 29 GLU CG . 6528 1 374 . 1 1 29 29 GLU CD C 13 174.00 0.30 . 9 . . . . 29 GLU CD . 6528 1 375 . 1 1 29 29 GLU N N 15 123.00 0.20 . 1 . . . . 29 GLU N . 6528 1 376 . 1 1 30 30 ASP H H 1 8.74 0.02 . 1 . . . . 30 ASP H . 6528 1 377 . 1 1 30 30 ASP HA H 1 4.52 0.02 . 1 . . . . 30 ASP HA . 6528 1 378 . 1 1 30 30 ASP HB2 H 1 2.99 0.02 . 1 . . . . 30 ASP HB2 . 6528 1 379 . 1 1 30 30 ASP HB3 H 1 2.80 0.02 . 1 . . . . 30 ASP HB3 . 6528 1 380 . 1 1 30 30 ASP C C 13 178.70 0.30 . 1 . . . . 30 ASP C . 6528 1 381 . 1 1 30 30 ASP CA C 13 57.60 0.30 . 1 . . . . 30 ASP CA . 6528 1 382 . 1 1 30 30 ASP CB C 13 40.40 0.30 . 1 . . . . 30 ASP CB . 6528 1 383 . 1 1 30 30 ASP CG C 13 177.84 0.30 . 1 . . . . 30 ASP CG . 6528 1 384 . 1 1 30 30 ASP N N 15 121.14 0.20 . 1 . . . . 30 ASP N . 6528 1 385 . 1 1 31 31 ARG H H 1 8.04 0.02 . 1 . . . . 31 ARG H . 6528 1 386 . 1 1 31 31 ARG HA H 1 4.01 0.02 . 1 . . . . 31 ARG HA . 6528 1 387 . 1 1 31 31 ARG HB2 H 1 1.98 0.02 . 1 . . . . 31 ARG HB2 . 6528 1 388 . 1 1 31 31 ARG HB3 H 1 1.98 0.02 . 1 . . . . 31 ARG HB3 . 6528 1 389 . 1 1 31 31 ARG HG2 H 1 1.70 0.02 . 1 . . . . 31 ARG HG2 . 6528 1 390 . 1 1 31 31 ARG HG3 H 1 1.70 0.02 . 1 . . . . 31 ARG HG3 . 6528 1 391 . 1 1 31 31 ARG HD2 H 1 3.19 0.02 . 1 . . . . 31 ARG HD2 . 6528 1 392 . 1 1 31 31 ARG HD3 H 1 3.27 0.02 . 1 . . . . 31 ARG HD3 . 6528 1 393 . 1 1 31 31 ARG C C 13 177.80 0.30 . 1 . . . . 31 ARG C . 6528 1 394 . 1 1 31 31 ARG CA C 13 58.80 0.30 . 1 . . . . 31 ARG CA . 6528 1 395 . 1 1 31 31 ARG CB C 13 29.60 0.30 . 1 . . . . 31 ARG CB . 6528 1 396 . 1 1 31 31 ARG CG C 13 26.90 0.30 . 1 . . . . 31 ARG CG . 6528 1 397 . 1 1 31 31 ARG CD C 13 43.20 0.30 . 1 . . . . 31 ARG CD . 6528 1 398 . 1 1 31 31 ARG N N 15 121.71 0.20 . 1 . . . . 31 ARG N . 6528 1 399 . 1 1 32 32 ARG H H 1 7.56 0.02 . 1 . . . . 32 ARG H . 6528 1 400 . 1 1 32 32 ARG HA H 1 4.01 0.02 . 1 . . . . 32 ARG HA . 6528 1 401 . 1 1 32 32 ARG HB2 H 1 1.90 0.02 . 1 . . . . 32 ARG HB2 . 6528 1 402 . 1 1 32 32 ARG HB3 H 1 1.80 0.02 . 1 . . . . 32 ARG HB3 . 6528 1 403 . 1 1 32 32 ARG HG2 H 1 1.51 0.02 . 1 . . . . 32 ARG HG2 . 6528 1 404 . 1 1 32 32 ARG HG3 H 1 1.76 0.02 . 1 . . . . 32 ARG HG3 . 6528 1 405 . 1 1 32 32 ARG HD2 H 1 3.28 0.02 . 1 . . . . 32 ARG HD2 . 6528 1 406 . 1 1 32 32 ARG HD3 H 1 3.18 0.02 . 1 . . . . 32 ARG HD3 . 6528 1 407 . 1 1 32 32 ARG C C 13 178.30 0.30 . 1 . . . . 32 ARG C . 6528 1 408 . 1 1 32 32 ARG CA C 13 58.53 0.30 . 1 . . . . 32 ARG CA . 6528 1 409 . 1 1 32 32 ARG CB C 13 30.56 0.30 . 1 . . . . 32 ARG CB . 6528 1 410 . 1 1 32 32 ARG CG C 13 27.91 0.30 . 1 . . . . 32 ARG CG . 6528 1 411 . 1 1 32 32 ARG CD C 13 43.22 0.30 . 1 . . . . 32 ARG CD . 6528 1 412 . 1 1 32 32 ARG N N 15 117.65 0.20 . 1 . . . . 32 ARG N . 6528 1 413 . 1 1 33 33 ASN H H 1 8.14 0.02 . 1 . . . . 33 ASN H . 6528 1 414 . 1 1 33 33 ASN HA H 1 4.36 0.02 . 1 . . . . 33 ASN HA . 6528 1 415 . 1 1 33 33 ASN HB2 H 1 2.25 0.02 . 1 . . . . 33 ASN HB2 . 6528 1 416 . 1 1 33 33 ASN HB3 H 1 1.85 0.02 . 1 . . . . 33 ASN HB3 . 6528 1 417 . 1 1 33 33 ASN C C 13 175.25 0.30 . 1 . . . . 33 ASN C . 6528 1 418 . 1 1 33 33 ASN CA C 13 55.10 0.30 . 1 . . . . 33 ASN CA . 6528 1 419 . 1 1 33 33 ASN CB C 13 39.00 0.30 . 1 . . . . 33 ASN CB . 6528 1 420 . 1 1 33 33 ASN CG C 13 175.78 0.30 . 1 . . . . 33 ASN CG . 6528 1 421 . 1 1 33 33 ASN N N 15 116.71 0.20 . 1 . . . . 33 ASN N . 6528 1 422 . 1 1 33 33 ASN ND2 N 15 112.79 0.20 . 1 . . . . 33 ASN ND2 . 6528 1 423 . 1 1 34 34 TYR H H 1 8.28 0.02 . 1 . . . . 34 TYR H . 6528 1 424 . 1 1 34 34 TYR HA H 1 5.13 0.02 . 1 . . . . 34 TYR HA . 6528 1 425 . 1 1 34 34 TYR HB2 H 1 2.99 0.02 . 1 . . . . 34 TYR HB2 . 6528 1 426 . 1 1 34 34 TYR HB3 H 1 2.99 0.02 . 1 . . . . 34 TYR HB3 . 6528 1 427 . 1 1 34 34 TYR HD1 H 1 6.90 0.02 . 1 . . . . 34 TYR HD1 . 6528 1 428 . 1 1 34 34 TYR HD2 H 1 6.90 0.02 . 1 . . . . 34 TYR HD2 . 6528 1 429 . 1 1 34 34 TYR HE1 H 1 7.18 0.02 . 1 . . . . 34 TYR HE1 . 6528 1 430 . 1 1 34 34 TYR HE2 H 1 7.18 0.02 . 1 . . . . 34 TYR HE2 . 6528 1 431 . 1 1 34 34 TYR CG C 13 132.38 0.30 . 9 . . . . 34 TYR CG . 6528 1 432 . 1 1 34 34 TYR CD1 C 13 127.84 0.30 . 1 . . . . 34 TYR CD1 . 6528 1 433 . 1 1 34 34 TYR CD2 C 13 127.84 0.30 . 1 . . . . 34 TYR CD2 . 6528 1 434 . 1 1 35 35 PRO HA H 1 4.58 0.02 . 1 . . . . 35 PRO HA . 6528 1 435 . 1 1 35 35 PRO HB2 H 1 2.48 0.02 . 1 . . . . 35 PRO HB2 . 6528 1 436 . 1 1 35 35 PRO HB3 H 1 2.00 0.02 . 1 . . . . 35 PRO HB3 . 6528 1 437 . 1 1 35 35 PRO HG2 H 1 1.98 0.02 . 1 . . . . 35 PRO HG2 . 6528 1 438 . 1 1 35 35 PRO HG3 H 1 3.66 0.02 . 1 . . . . 35 PRO HG3 . 6528 1 439 . 1 1 35 35 PRO HD2 H 1 3.36 0.02 . 1 . . . . 35 PRO HD2 . 6528 1 440 . 1 1 35 35 PRO CA C 13 72.28 0.30 . 1 . . . . 35 PRO CA . 6528 1 441 . 1 1 35 35 PRO CB C 13 50.25 0.30 . 1 . . . . 35 PRO CB . 6528 1 442 . 1 1 35 35 PRO CG C 13 27.44 0.30 . 1 . . . . 35 PRO CG . 6528 1 443 . 1 1 36 36 THR H H 1 8.02 0.02 . 1 . . . . 36 THR H . 6528 1 444 . 1 1 36 36 THR HA H 1 4.45 0.02 . 1 . . . . 36 THR HA . 6528 1 445 . 1 1 36 36 THR HB H 1 4.52 0.02 . 1 . . . . 36 THR HB . 6528 1 446 . 1 1 36 36 THR HG21 H 1 1.20 0.02 . 1 . . . . 36 THR HG2 . 6528 1 447 . 1 1 36 36 THR HG22 H 1 1.20 0.02 . 1 . . . . 36 THR HG2 . 6528 1 448 . 1 1 36 36 THR HG23 H 1 1.20 0.02 . 1 . . . . 36 THR HG2 . 6528 1 449 . 1 1 36 36 THR C C 13 174.80 0.30 . 1 . . . . 36 THR C . 6528 1 450 . 1 1 36 36 THR CA C 13 61.30 0.30 . 1 . . . . 36 THR CA . 6528 1 451 . 1 1 36 36 THR CB C 13 69.16 0.30 . 1 . . . . 36 THR CB . 6528 1 452 . 1 1 36 36 THR CG2 C 13 21.66 0.30 . 1 . . . . 36 THR CG2 . 6528 1 453 . 1 1 36 36 THR N N 15 107.93 0.20 . 1 . . . . 36 THR N . 6528 1 454 . 1 1 37 37 ASN H H 1 7.59 0.02 . 1 . . . . 37 ASN H . 6528 1 455 . 1 1 37 37 ASN HA H 1 4.64 0.02 . 1 . . . . 37 ASN HA . 6528 1 456 . 1 1 37 37 ASN HB2 H 1 2.84 0.02 . 1 . . . . 37 ASN HB2 . 6528 1 457 . 1 1 37 37 ASN HB3 H 1 2.64 0.02 . 1 . . . . 37 ASN HB3 . 6528 1 458 . 1 1 37 37 ASN C C 13 176.40 0.30 . 1 . . . . 37 ASN C . 6528 1 459 . 1 1 37 37 ASN CA C 13 53.38 0.30 . 1 . . . . 37 ASN CA . 6528 1 460 . 1 1 37 37 ASN CB C 13 38.53 0.30 . 1 . . . . 37 ASN CB . 6528 1 461 . 1 1 37 37 ASN CG C 13 175.78 0.30 . 1 . . . . 37 ASN CG . 6528 1 462 . 1 1 37 37 ASN N N 15 122.77 0.20 . 1 . . . . 37 ASN N . 6528 1 463 . 1 1 37 37 ASN ND2 N 15 112.79 0.20 . 9 . . . . 37 ASN ND2 . 6528 1 464 . 1 1 38 38 THR H H 1 8.33 0.02 . 1 . . . . 38 THR H . 6528 1 465 . 1 1 38 38 THR HA H 1 4.29 0.02 . 1 . . . . 38 THR HA . 6528 1 466 . 1 1 38 38 THR HB H 1 4.28 0.02 . 1 . . . . 38 THR HB . 6528 1 467 . 1 1 38 38 THR HG21 H 1 1.11 0.02 . 1 . . . . 38 THR HG2 . 6528 1 468 . 1 1 38 38 THR HG22 H 1 1.11 0.02 . 1 . . . . 38 THR HG2 . 6528 1 469 . 1 1 38 38 THR HG23 H 1 1.11 0.02 . 1 . . . . 38 THR HG2 . 6528 1 470 . 1 1 38 38 THR C C 13 173.80 0.30 . 1 . . . . 38 THR C . 6528 1 471 . 1 1 38 38 THR CA C 13 61.30 0.30 . 1 . . . . 38 THR CA . 6528 1 472 . 1 1 38 38 THR CB C 13 69.16 0.30 . 1 . . . . 38 THR CB . 6528 1 473 . 1 1 38 38 THR CG2 C 13 21.50 0.30 . 1 . . . . 38 THR CG2 . 6528 1 474 . 1 1 38 38 THR N N 15 114.94 0.20 . 1 . . . . 38 THR N . 6528 1 475 . 1 1 39 39 TYR H H 1 7.36 0.02 . 1 . . . . 39 TYR H . 6528 1 476 . 1 1 39 39 TYR HA H 1 4.74 0.02 . 1 . . . . 39 TYR HA . 6528 1 477 . 1 1 39 39 TYR HB2 H 1 3.01 0.02 . 1 . . . . 39 TYR HB2 . 6528 1 478 . 1 1 39 39 TYR HB3 H 1 2.94 0.02 . 1 . . . . 39 TYR HB3 . 6528 1 479 . 1 1 39 39 TYR HD1 H 1 7.06 0.02 . 1 . . . . 39 TYR HD1 . 6528 1 480 . 1 1 39 39 TYR HD2 H 1 7.06 0.02 . 1 . . . . 39 TYR HD2 . 6528 1 481 . 1 1 39 39 TYR HE1 H 1 6.72 0.02 . 1 . . . . 39 TYR HE1 . 6528 1 482 . 1 1 39 39 TYR HE2 H 1 6.72 0.02 . 1 . . . . 39 TYR HE2 . 6528 1 483 . 1 1 39 39 TYR C C 13 174.80 0.30 . 1 . . . . 39 TYR C . 6528 1 484 . 1 1 39 39 TYR CA C 13 55.88 0.30 . 1 . . . . 39 TYR CA . 6528 1 485 . 1 1 39 39 TYR CB C 13 39.78 0.30 . 1 . . . . 39 TYR CB . 6528 1 486 . 1 1 39 39 TYR CG C 13 129.29 0.30 . 1 . . . . 39 TYR CG . 6528 1 487 . 1 1 39 39 TYR CD1 C 13 127.84 0.30 . 1 . . . . 39 TYR CD1 . 6528 1 488 . 1 1 39 39 TYR CD2 C 13 127.84 0.30 . 1 . . . . 39 TYR CD2 . 6528 1 489 . 1 1 39 39 TYR CZ C 13 156.37 0.30 . 9 . . . . 39 TYR CZ . 6528 1 490 . 1 1 39 39 TYR N N 15 121.47 0.20 . 1 . . . . 39 TYR N . 6528 1 491 . 1 1 40 40 LYS H H 1 8.44 0.02 . 1 . . . . 40 LYS H . 6528 1 492 . 1 1 40 40 LYS HA H 1 4.40 0.02 . 1 . . . . 40 LYS HA . 6528 1 493 . 1 1 40 40 LYS HB2 H 1 1.74 0.02 . 1 . . . . 40 LYS HB2 . 6528 1 494 . 1 1 40 40 LYS HB3 H 1 1.74 0.02 . 1 . . . . 40 LYS HB3 . 6528 1 495 . 1 1 40 40 LYS HG2 H 1 1.53 0.02 . 1 . . . . 40 LYS HG2 . 6528 1 496 . 1 1 40 40 LYS HG3 H 1 1.43 0.02 . 1 . . . . 40 LYS HG3 . 6528 1 497 . 1 1 40 40 LYS HD2 H 1 1.54 0.02 . 1 . . . . 40 LYS HD2 . 6528 1 498 . 1 1 40 40 LYS HD3 H 1 1.54 0.02 . 1 . . . . 40 LYS HD3 . 6528 1 499 . 1 1 40 40 LYS HE2 H 1 2.94 0.02 . 1 . . . . 40 LYS HE2 . 6528 1 500 . 1 1 40 40 LYS HE3 H 1 2.94 0.02 . 1 . . . . 40 LYS HE3 . 6528 1 501 . 1 1 40 40 LYS C C 13 177.20 0.30 . 1 . . . . 40 LYS C . 6528 1 502 . 1 1 40 40 LYS CA C 13 56.30 0.30 . 1 . . . . 40 LYS CA . 6528 1 503 . 1 1 40 40 LYS CB C 13 34.31 0.30 . 1 . . . . 40 LYS CB . 6528 1 504 . 1 1 40 40 LYS CG C 13 25.90 0.30 . 1 . . . . 40 LYS CG . 6528 1 505 . 1 1 40 40 LYS CD C 13 29.94 0.30 . 1 . . . . 40 LYS CD . 6528 1 506 . 1 1 40 40 LYS CE C 13 42.00 0.30 . 1 . . . . 40 LYS CE . 6528 1 507 . 1 1 40 40 LYS N N 15 122.69 0.20 . 1 . . . . 40 LYS N . 6528 1 508 . 1 1 41 41 THR H H 1 8.66 0.02 . 1 . . . . 41 THR H . 6528 1 509 . 1 1 41 41 THR HA H 1 4.18 0.02 . 1 . . . . 41 THR HA . 6528 1 510 . 1 1 41 41 THR HB H 1 4.74 0.02 . 1 . . . . 41 THR HB . 6528 1 511 . 1 1 41 41 THR HG21 H 1 1.28 0.02 . 1 . . . . 41 THR HG2 . 6528 1 512 . 1 1 41 41 THR HG22 H 1 1.28 0.02 . 1 . . . . 41 THR HG2 . 6528 1 513 . 1 1 41 41 THR HG23 H 1 1.28 0.02 . 1 . . . . 41 THR HG2 . 6528 1 514 . 1 1 41 41 THR C C 13 175.40 0.30 . 1 . . . . 41 THR C . 6528 1 515 . 1 1 41 41 THR CA C 13 61.66 0.30 . 1 . . . . 41 THR CA . 6528 1 516 . 1 1 41 41 THR CB C 13 71.50 0.30 . 1 . . . . 41 THR CB . 6528 1 517 . 1 1 41 41 THR CG2 C 13 20.41 0.30 . 1 . . . . 41 THR CG2 . 6528 1 518 . 1 1 41 41 THR N N 15 116.03 0.20 . 1 . . . . 41 THR N . 6528 1 519 . 1 1 42 42 LEU H H 1 8.76 0.02 . 1 . . . . 42 LEU H . 6528 1 520 . 1 1 42 42 LEU HA H 1 4.28 0.02 . 1 . . . . 42 LEU HA . 6528 1 521 . 1 1 42 42 LEU HB2 H 1 1.61 0.02 . 1 . . . . 42 LEU HB2 . 6528 1 522 . 1 1 42 42 LEU HB3 H 1 1.65 0.02 . 1 . . . . 42 LEU HB3 . 6528 1 523 . 1 1 42 42 LEU HG H 1 1.59 0.02 . 1 . . . . 42 LEU HG . 6528 1 524 . 1 1 42 42 LEU HD11 H 1 1.04 0.02 . 1 . . . . 42 LEU HD1 . 6528 1 525 . 1 1 42 42 LEU HD12 H 1 1.04 0.02 . 1 . . . . 42 LEU HD1 . 6528 1 526 . 1 1 42 42 LEU HD13 H 1 1.04 0.02 . 1 . . . . 42 LEU HD1 . 6528 1 527 . 1 1 42 42 LEU HD21 H 1 0.88 0.02 . 1 . . . . 42 LEU HD2 . 6528 1 528 . 1 1 42 42 LEU HD22 H 1 0.88 0.02 . 1 . . . . 42 LEU HD2 . 6528 1 529 . 1 1 42 42 LEU HD23 H 1 0.88 0.02 . 1 . . . . 42 LEU HD2 . 6528 1 530 . 1 1 42 42 LEU C C 13 178.70 0.30 . 1 . . . . 42 LEU C . 6528 1 531 . 1 1 42 42 LEU CA C 13 57.28 0.30 . 1 . . . . 42 LEU CA . 6528 1 532 . 1 1 42 42 LEU CB C 13 41.66 0.30 . 1 . . . . 42 LEU CB . 6528 1 533 . 1 1 42 42 LEU CG C 13 27.44 0.30 . 1 . . . . 42 LEU CG . 6528 1 534 . 1 1 42 42 LEU CD1 C 13 23.22 0.30 . 1 . . . . 42 LEU CD1 . 6528 1 535 . 1 1 42 42 LEU CD2 C 13 25.72 0.30 . 1 . . . . 42 LEU CD2 . 6528 1 536 . 1 1 42 42 LEU N N 15 124.18 0.20 . 1 . . . . 42 LEU N . 6528 1 537 . 1 1 43 43 GLU H H 1 8.73 0.02 . 1 . . . . 43 GLU H . 6528 1 538 . 1 1 43 43 GLU HA H 1 3.86 0.02 . 1 . . . . 43 GLU HA . 6528 1 539 . 1 1 43 43 GLU HB2 H 1 1.70 0.02 . 1 . . . . 43 GLU HB2 . 6528 1 540 . 1 1 43 43 GLU HB3 H 1 2.26 0.02 . 1 . . . . 43 GLU HB3 . 6528 1 541 . 1 1 43 43 GLU HG2 H 1 2.66 0.02 . 1 . . . . 43 GLU HG2 . 6528 1 542 . 1 1 43 43 GLU HG3 H 1 2.18 0.02 . 1 . . . . 43 GLU HG3 . 6528 1 543 . 1 1 43 43 GLU C C 13 180.30 0.30 . 1 . . . . 43 GLU C . 6528 1 544 . 1 1 43 43 GLU CA C 13 61.50 0.30 . 1 . . . . 43 GLU CA . 6528 1 545 . 1 1 43 43 GLU CB C 13 28.22 0.30 . 1 . . . . 43 GLU CB . 6528 1 546 . 1 1 43 43 GLU CG C 13 37.91 0.30 . 1 . . . . 43 GLU CG . 6528 1 547 . 1 1 43 43 GLU CD C 13 174.00 0.30 . 1 . . . . 43 GLU CD . 6528 1 548 . 1 1 43 43 GLU N N 15 117.05 0.20 . 1 . . . . 43 GLU N . 6528 1 549 . 1 1 44 44 LEU H H 1 8.53 0.02 . 1 . . . . 44 LEU H . 6528 1 550 . 1 1 44 44 LEU HA H 1 4.15 0.02 . 1 . . . . 44 LEU HA . 6528 1 551 . 1 1 44 44 LEU HB2 H 1 2.05 0.02 . 1 . . . . 44 LEU HB2 . 6528 1 552 . 1 1 44 44 LEU HB3 H 1 1.61 0.02 . 1 . . . . 44 LEU HB3 . 6528 1 553 . 1 1 44 44 LEU HG H 1 1.52 0.02 . 1 . . . . 44 LEU HG . 6528 1 554 . 1 1 44 44 LEU HD11 H 1 1.03 0.02 . 1 . . . . 44 LEU HD1 . 6528 1 555 . 1 1 44 44 LEU HD12 H 1 1.03 0.02 . 1 . . . . 44 LEU HD1 . 6528 1 556 . 1 1 44 44 LEU HD13 H 1 1.03 0.02 . 1 . . . . 44 LEU HD1 . 6528 1 557 . 1 1 44 44 LEU HD21 H 1 1.05 0.02 . 1 . . . . 44 LEU HD2 . 6528 1 558 . 1 1 44 44 LEU HD22 H 1 1.05 0.02 . 1 . . . . 44 LEU HD2 . 6528 1 559 . 1 1 44 44 LEU HD23 H 1 1.05 0.02 . 1 . . . . 44 LEU HD2 . 6528 1 560 . 1 1 44 44 LEU C C 13 178.11 0.30 . 1 . . . . 44 LEU C . 6528 1 561 . 1 1 44 44 LEU CA C 13 57.91 0.30 . 1 . . . . 44 LEU CA . 6528 1 562 . 1 1 44 44 LEU CB C 13 40.03 0.30 . 1 . . . . 44 LEU CB . 6528 1 563 . 1 1 44 44 LEU CG C 13 27.44 0.30 . 1 . . . . 44 LEU CG . 6528 1 564 . 1 1 44 44 LEU CD1 C 13 27.60 0.30 . 1 . . . . 44 LEU CD1 . 6528 1 565 . 1 1 44 44 LEU CD2 C 13 24.94 0.30 . 1 . . . . 44 LEU CD2 . 6528 1 566 . 1 1 44 44 LEU N N 15 123.85 0.20 . 1 . . . . 44 LEU N . 6528 1 567 . 1 1 45 45 GLU H H 1 8.54 0.02 . 1 . . . . 45 GLU H . 6528 1 568 . 1 1 45 45 GLU HA H 1 4.03 0.02 . 1 . . . . 45 GLU HA . 6528 1 569 . 1 1 45 45 GLU HB2 H 1 2.41 0.02 . 1 . . . . 45 GLU HB2 . 6528 1 570 . 1 1 45 45 GLU HB3 H 1 2.14 0.02 . 1 . . . . 45 GLU HB3 . 6528 1 571 . 1 1 45 45 GLU HG2 H 1 2.57 0.02 . 1 . . . . 45 GLU HG2 . 6528 1 572 . 1 1 45 45 GLU HG3 H 1 2.19 0.02 . 1 . . . . 45 GLU HG3 . 6528 1 573 . 1 1 45 45 GLU C C 13 180.80 0.30 . 1 . . . . 45 GLU C . 6528 1 574 . 1 1 45 45 GLU CA C 13 59.94 0.30 . 1 . . . . 45 GLU CA . 6528 1 575 . 1 1 45 45 GLU CB C 13 28.38 0.30 . 1 . . . . 45 GLU CB . 6528 1 576 . 1 1 45 45 GLU CG C 13 35.56 0.30 . 1 . . . . 45 GLU CG . 6528 1 577 . 1 1 45 45 GLU CD C 13 174.00 0.30 . 9 . . . . 45 GLU CD . 6528 1 578 . 1 1 45 45 GLU N N 15 121.35 0.20 . 1 . . . . 45 GLU N . 6528 1 579 . 1 1 46 46 ILE H H 1 9.11 0.02 . 1 . . . . 46 ILE H . 6528 1 580 . 1 1 46 46 ILE HA H 1 3.64 0.02 . 1 . . . . 46 ILE HA . 6528 1 581 . 1 1 46 46 ILE HB H 1 1.88 0.02 . 1 . . . . 46 ILE HB . 6528 1 582 . 1 1 46 46 ILE HG12 H 1 0.99 0.02 . 1 . . . . 46 ILE HG12 . 6528 1 583 . 1 1 46 46 ILE HG13 H 1 1.86 0.02 . 1 . . . . 46 ILE HG13 . 6528 1 584 . 1 1 46 46 ILE HG21 H 1 0.94 0.02 . 1 . . . . 46 ILE HG2 . 6528 1 585 . 1 1 46 46 ILE HG22 H 1 0.94 0.02 . 1 . . . . 46 ILE HG2 . 6528 1 586 . 1 1 46 46 ILE HG23 H 1 0.94 0.02 . 1 . . . . 46 ILE HG2 . 6528 1 587 . 1 1 46 46 ILE HD11 H 1 0.80 0.02 . 1 . . . . 46 ILE HD1 . 6528 1 588 . 1 1 46 46 ILE HD12 H 1 0.80 0.02 . 1 . . . . 46 ILE HD1 . 6528 1 589 . 1 1 46 46 ILE HD13 H 1 0.80 0.02 . 1 . . . . 46 ILE HD1 . 6528 1 590 . 1 1 46 46 ILE C C 13 178.70 0.30 . 1 . . . . 46 ILE C . 6528 1 591 . 1 1 46 46 ILE CA C 13 66.10 0.30 . 1 . . . . 46 ILE CA . 6528 1 592 . 1 1 46 46 ILE CB C 13 38.53 0.30 . 1 . . . . 46 ILE CB . 6528 1 593 . 1 1 46 46 ILE CG1 C 13 31.97 0.30 . 1 . . . . 46 ILE CG1 . 6528 1 594 . 1 1 46 46 ILE CG2 C 13 16.82 0.30 . 1 . . . . 46 ILE CG2 . 6528 1 595 . 1 1 46 46 ILE CD1 C 13 14.47 0.30 . 1 . . . . 46 ILE CD1 . 6528 1 596 . 1 1 46 46 ILE N N 15 122.87 0.20 . 1 . . . . 46 ILE N . 6528 1 597 . 1 1 47 47 ALA H H 1 8.12 0.02 . 1 . . . . 47 ALA H . 6528 1 598 . 1 1 47 47 ALA HA H 1 4.28 0.02 . 1 . . . . 47 ALA HA . 6528 1 599 . 1 1 47 47 ALA HB1 H 1 1.55 0.02 . 1 . . . . 47 ALA HB . 6528 1 600 . 1 1 47 47 ALA HB2 H 1 1.55 0.02 . 1 . . . . 47 ALA HB . 6528 1 601 . 1 1 47 47 ALA HB3 H 1 1.55 0.02 . 1 . . . . 47 ALA HB . 6528 1 602 . 1 1 47 47 ALA C C 13 182.00 0.30 . 1 . . . . 47 ALA C . 6528 1 603 . 1 1 47 47 ALA CA C 13 55.00 0.30 . 1 . . . . 47 ALA CA . 6528 1 604 . 1 1 47 47 ALA CB C 13 17.29 0.30 . 1 . . . . 47 ALA CB . 6528 1 605 . 1 1 47 47 ALA N N 15 125.81 0.20 . 1 . . . . 47 ALA N . 6528 1 606 . 1 1 48 48 GLU H H 1 9.35 0.02 . 1 . . . . 48 GLU H . 6528 1 607 . 1 1 48 48 GLU HA H 1 3.95 0.02 . 1 . . . . 48 GLU HA . 6528 1 608 . 1 1 48 48 GLU HB2 H 1 2.13 0.02 . 1 . . . . 48 GLU HB2 . 6528 1 609 . 1 1 48 48 GLU HB3 H 1 2.02 0.02 . 1 . . . . 48 GLU HB3 . 6528 1 610 . 1 1 48 48 GLU HG2 H 1 2.08 0.02 . 1 . . . . 48 GLU HG2 . 6528 1 611 . 1 1 48 48 GLU HG3 H 1 2.62 0.02 . 1 . . . . 48 GLU HG3 . 6528 1 612 . 1 1 48 48 GLU C C 13 179.60 0.30 . 1 . . . . 48 GLU C . 6528 1 613 . 1 1 48 48 GLU CA C 13 60.20 0.30 . 1 . . . . 48 GLU CA . 6528 1 614 . 1 1 48 48 GLU CB C 13 28.75 0.30 . 1 . . . . 48 GLU CB . 6528 1 615 . 1 1 48 48 GLU CG C 13 37.30 0.30 . 1 . . . . 48 GLU CG . 6528 1 616 . 1 1 48 48 GLU CD C 13 174.00 0.30 . 9 . . . . 48 GLU CD . 6528 1 617 . 1 1 48 48 GLU N N 15 120.46 0.20 . 1 . . . . 48 GLU N . 6528 1 618 . 1 1 49 49 SER H H 1 8.39 0.02 . 1 . . . . 49 SER H . 6528 1 619 . 1 1 49 49 SER HA H 1 4.33 0.02 . 1 . . . . 49 SER HA . 6528 1 620 . 1 1 49 49 SER HB2 H 1 4.05 0.02 . 1 . . . . 49 SER HB2 . 6528 1 621 . 1 1 49 49 SER HB3 H 1 4.05 0.02 . 1 . . . . 49 SER HB3 . 6528 1 622 . 1 1 49 49 SER C C 13 177.10 0.30 . 1 . . . . 49 SER C . 6528 1 623 . 1 1 49 49 SER CA C 13 61.81 0.30 . 1 . . . . 49 SER CA . 6528 1 624 . 1 1 49 49 SER CB C 13 62.75 0.30 . 1 . . . . 49 SER CB . 6528 1 625 . 1 1 49 49 SER N N 15 119.00 0.20 . 1 . . . . 49 SER N . 6528 1 626 . 1 1 50 50 ASP H H 1 8.01 0.02 . 1 . . . . 50 ASP H . 6528 1 627 . 1 1 50 50 ASP HA H 1 4.68 0.02 . 1 . . . . 50 ASP HA . 6528 1 628 . 1 1 50 50 ASP HB2 H 1 2.80 0.02 . 1 . . . . 50 ASP HB2 . 6528 1 629 . 1 1 50 50 ASP HB3 H 1 2.80 0.02 . 1 . . . . 50 ASP HB3 . 6528 1 630 . 1 1 50 50 ASP C C 13 178.70 0.30 . 1 . . . . 50 ASP C . 6528 1 631 . 1 1 50 50 ASP CA C 13 57.60 0.30 . 1 . . . . 50 ASP CA . 6528 1 632 . 1 1 50 50 ASP CB C 13 41.35 0.30 . 1 . . . . 50 ASP CB . 6528 1 633 . 1 1 50 50 ASP CG C 13 177.84 0.30 . 1 . . . . 50 ASP CG . 6528 1 634 . 1 1 50 50 ASP N N 15 123.87 0.20 . 1 . . . . 50 ASP N . 6528 1 635 . 1 1 51 51 VAL H H 1 7.49 0.02 . 1 . . . . 51 VAL H . 6528 1 636 . 1 1 51 51 VAL HA H 1 3.40 0.02 . 1 . . . . 51 VAL HA . 6528 1 637 . 1 1 51 51 VAL HB H 1 2.54 0.02 . 1 . . . . 51 VAL HB . 6528 1 638 . 1 1 51 51 VAL HG11 H 1 1.04 0.02 . 1 . . . . 51 VAL HG1 . 6528 1 639 . 1 1 51 51 VAL HG12 H 1 1.04 0.02 . 1 . . . . 51 VAL HG1 . 6528 1 640 . 1 1 51 51 VAL HG13 H 1 1.04 0.02 . 1 . . . . 51 VAL HG1 . 6528 1 641 . 1 1 51 51 VAL HG21 H 1 0.93 0.02 . 1 . . . . 51 VAL HG2 . 6528 1 642 . 1 1 51 51 VAL HG22 H 1 0.93 0.02 . 1 . . . . 51 VAL HG2 . 6528 1 643 . 1 1 51 51 VAL HG23 H 1 0.93 0.02 . 1 . . . . 51 VAL HG2 . 6528 1 644 . 1 1 51 51 VAL C C 13 178.00 0.30 . 1 . . . . 51 VAL C . 6528 1 645 . 1 1 51 51 VAL CA C 13 67.60 0.30 . 1 . . . . 51 VAL CA . 6528 1 646 . 1 1 51 51 VAL CB C 13 31.50 0.30 . 1 . . . . 51 VAL CB . 6528 1 647 . 1 1 51 51 VAL CG1 C 13 22.60 0.30 . 1 . . . . 51 VAL CG1 . 6528 1 648 . 1 1 51 51 VAL CG2 C 13 22.00 0.30 . 1 . . . . 51 VAL CG2 . 6528 1 649 . 1 1 51 51 VAL N N 15 118.50 0.20 . 1 . . . . 51 VAL N . 6528 1 650 . 1 1 52 52 GLU H H 1 7.49 0.02 . 1 . . . . 52 GLU H . 6528 1 651 . 1 1 52 52 GLU HA H 1 4.04 0.02 . 1 . . . . 52 GLU HA . 6528 1 652 . 1 1 52 52 GLU HB2 H 1 2.38 0.02 . 1 . . . . 52 GLU HB2 . 6528 1 653 . 1 1 52 52 GLU HB3 H 1 2.09 0.02 . 1 . . . . 52 GLU HB3 . 6528 1 654 . 1 1 52 52 GLU HG2 H 1 2.57 0.02 . 1 . . . . 52 GLU HG2 . 6528 1 655 . 1 1 52 52 GLU HG3 H 1 2.41 0.02 . 1 . . . . 52 GLU HG3 . 6528 1 656 . 1 1 52 52 GLU C C 13 180.60 0.30 . 1 . . . . 52 GLU C . 6528 1 657 . 1 1 52 52 GLU CA C 13 59.47 0.30 . 1 . . . . 52 GLU CA . 6528 1 658 . 1 1 52 52 GLU CB C 13 28.85 0.30 . 1 . . . . 52 GLU CB . 6528 1 659 . 1 1 52 52 GLU CG C 13 35.88 0.30 . 1 . . . . 52 GLU CG . 6528 1 660 . 1 1 52 52 GLU CD C 13 174.00 0.30 . 1 . . . . 52 GLU CD . 6528 1 661 . 1 1 52 52 GLU N N 15 116.92 0.20 . 1 . . . . 52 GLU N . 6528 1 662 . 1 1 53 53 VAL H H 1 8.38 0.02 . 1 . . . . 53 VAL H . 6528 1 663 . 1 1 53 53 VAL HA H 1 3.45 0.02 . 1 . . . . 53 VAL HA . 6528 1 664 . 1 1 53 53 VAL HB H 1 2.40 0.02 . 1 . . . . 53 VAL HB . 6528 1 665 . 1 1 53 53 VAL HG11 H 1 1.02 0.02 . 1 . . . . 53 VAL HG1 . 6528 1 666 . 1 1 53 53 VAL HG12 H 1 1.02 0.02 . 1 . . . . 53 VAL HG1 . 6528 1 667 . 1 1 53 53 VAL HG13 H 1 1.02 0.02 . 1 . . . . 53 VAL HG1 . 6528 1 668 . 1 1 53 53 VAL HG21 H 1 0.90 0.02 . 1 . . . . 53 VAL HG2 . 6528 1 669 . 1 1 53 53 VAL HG22 H 1 0.90 0.02 . 1 . . . . 53 VAL HG2 . 6528 1 670 . 1 1 53 53 VAL HG23 H 1 0.90 0.02 . 1 . . . . 53 VAL HG2 . 6528 1 671 . 1 1 53 53 VAL C C 13 177.50 0.30 . 1 . . . . 53 VAL C . 6528 1 672 . 1 1 53 53 VAL CA C 13 67.75 0.30 . 1 . . . . 53 VAL CA . 6528 1 673 . 1 1 53 53 VAL CB C 13 31.97 0.30 . 1 . . . . 53 VAL CB . 6528 1 674 . 1 1 53 53 VAL CG1 C 13 22.91 0.30 . 1 . . . . 53 VAL CG1 . 6528 1 675 . 1 1 53 53 VAL CG2 C 13 21.81 0.30 . 1 . . . . 53 VAL CG2 . 6528 1 676 . 1 1 53 53 VAL N N 15 122.73 0.20 . 1 . . . . 53 VAL N . 6528 1 677 . 1 1 54 54 LYS H H 1 8.48 0.02 . 1 . . . . 54 LYS H . 6528 1 678 . 1 1 54 54 LYS HA H 1 4.12 0.02 . 1 . . . . 54 LYS HA . 6528 1 679 . 1 1 54 54 LYS HB2 H 1 1.90 0.02 . 1 . . . . 54 LYS HB2 . 6528 1 680 . 1 1 54 54 LYS HB3 H 1 1.90 0.02 . 1 . . . . 54 LYS HB3 . 6528 1 681 . 1 1 54 54 LYS HG2 H 1 1.53 0.02 . 1 . . . . 54 LYS HG2 . 6528 1 682 . 1 1 54 54 LYS HG3 H 1 1.67 0.02 . 1 . . . . 54 LYS HG3 . 6528 1 683 . 1 1 54 54 LYS HD2 H 1 1.02 0.02 . 1 . . . . 54 LYS HD2 . 6528 1 684 . 1 1 54 54 LYS HD3 H 1 1.02 0.02 . 1 . . . . 54 LYS HD3 . 6528 1 685 . 1 1 54 54 LYS HE2 H 1 2.98 0.02 . 1 . . . . 54 LYS HE2 . 6528 1 686 . 1 1 54 54 LYS HE3 H 1 2.98 0.02 . 1 . . . . 54 LYS HE3 . 6528 1 687 . 1 1 54 54 LYS C C 13 181.10 0.30 . 1 . . . . 54 LYS C . 6528 1 688 . 1 1 54 54 LYS CA C 13 58.90 0.30 . 1 . . . . 54 LYS CA . 6528 1 689 . 1 1 54 54 LYS CB C 13 30.70 0.30 . 1 . . . . 54 LYS CB . 6528 1 690 . 1 1 54 54 LYS CG C 13 27.00 0.30 . 1 . . . . 54 LYS CG . 6528 1 691 . 1 1 54 54 LYS CD C 13 23.85 0.30 . 1 . . . . 54 LYS CD . 6528 1 692 . 1 1 54 54 LYS CE C 13 42.10 0.30 . 1 . . . . 54 LYS CE . 6528 1 693 . 1 1 54 54 LYS N N 15 120.14 0.20 . 1 . . . . 54 LYS N . 6528 1 694 . 1 1 55 55 LYS H H 1 9.18 0.02 . 1 . . . . 55 LYS H . 6528 1 695 . 1 1 55 55 LYS HA H 1 3.90 0.02 . 1 . . . . 55 LYS HA . 6528 1 696 . 1 1 55 55 LYS HB2 H 1 1.93 0.02 . 1 . . . . 55 LYS HB2 . 6528 1 697 . 1 1 55 55 LYS HB3 H 1 1.96 0.02 . 1 . . . . 55 LYS HB3 . 6528 1 698 . 1 1 55 55 LYS HG2 H 1 1.65 0.02 . 1 . . . . 55 LYS HG2 . 6528 1 699 . 1 1 55 55 LYS HG3 H 1 1.41 0.02 . 1 . . . . 55 LYS HG3 . 6528 1 700 . 1 1 55 55 LYS HD2 H 1 1.65 0.02 . 1 . . . . 55 LYS HD2 . 6528 1 701 . 1 1 55 55 LYS HD3 H 1 1.65 0.02 . 1 . . . . 55 LYS HD3 . 6528 1 702 . 1 1 55 55 LYS HE2 H 1 2.81 0.02 . 1 . . . . 55 LYS HE2 . 6528 1 703 . 1 1 55 55 LYS HE3 H 1 2.92 0.02 . 1 . . . . 55 LYS HE3 . 6528 1 704 . 1 1 55 55 LYS C C 13 178.70 0.30 . 1 . . . . 55 LYS C . 6528 1 705 . 1 1 55 55 LYS CA C 13 60.72 0.30 . 1 . . . . 55 LYS CA . 6528 1 706 . 1 1 55 55 LYS CB C 13 32.91 0.30 . 1 . . . . 55 LYS CB . 6528 1 707 . 1 1 55 55 LYS CG C 13 25.41 0.30 . 1 . . . . 55 LYS CG . 6528 1 708 . 1 1 55 55 LYS CD C 13 29.78 0.30 . 1 . . . . 55 LYS CD . 6528 1 709 . 1 1 55 55 LYS CE C 13 41.30 0.30 . 1 . . . . 55 LYS CE . 6528 1 710 . 1 1 55 55 LYS N N 15 123.75 0.20 . 1 . . . . 55 LYS N . 6528 1 711 . 1 1 56 56 ALA H H 1 8.01 0.02 . 1 . . . . 56 ALA H . 6528 1 712 . 1 1 56 56 ALA HA H 1 4.27 0.02 . 1 . . . . 56 ALA HA . 6528 1 713 . 1 1 56 56 ALA HB1 H 1 1.54 0.02 . 1 . . . . 56 ALA HB . 6528 1 714 . 1 1 56 56 ALA HB2 H 1 1.54 0.02 . 1 . . . . 56 ALA HB . 6528 1 715 . 1 1 56 56 ALA HB3 H 1 1.54 0.02 . 1 . . . . 56 ALA HB . 6528 1 716 . 1 1 56 56 ALA C C 13 178.00 0.30 . 1 . . . . 56 ALA C . 6528 1 717 . 1 1 56 56 ALA CA C 13 54.94 0.30 . 1 . . . . 56 ALA CA . 6528 1 718 . 1 1 56 56 ALA CB C 13 17.20 0.30 . 1 . . . . 56 ALA CB . 6528 1 719 . 1 1 56 56 ALA N N 15 124.57 0.20 . 1 . . . . 56 ALA N . 6528 1 720 . 1 1 57 57 GLU H H 1 9.03 0.02 . 1 . . . . 57 GLU H . 6528 1 721 . 1 1 57 57 GLU HA H 1 3.86 0.02 . 1 . . . . 57 GLU HA . 6528 1 722 . 1 1 57 57 GLU HB2 H 1 2.19 0.02 . 1 . . . . 57 GLU HB2 . 6528 1 723 . 1 1 57 57 GLU HB3 H 1 2.00 0.02 . 1 . . . . 57 GLU HB3 . 6528 1 724 . 1 1 57 57 GLU HG2 H 1 2.22 0.02 . 1 . . . . 57 GLU HG2 . 6528 1 725 . 1 1 57 57 GLU HG3 H 1 2.66 0.02 . 1 . . . . 57 GLU HG3 . 6528 1 726 . 1 1 57 57 GLU C C 13 178.70 0.30 . 1 . . . . 57 GLU C . 6528 1 727 . 1 1 57 57 GLU CA C 13 59.94 0.30 . 1 . . . . 57 GLU CA . 6528 1 728 . 1 1 57 57 GLU CB C 13 29.94 0.30 . 1 . . . . 57 GLU CB . 6528 1 729 . 1 1 57 57 GLU CG C 13 37.44 0.30 . 1 . . . . 57 GLU CG . 6528 1 730 . 1 1 57 57 GLU CD C 13 174.00 0.30 . 1 . . . . 57 GLU CD . 6528 1 731 . 1 1 57 57 GLU N N 15 122.00 0.20 . 1 . . . . 57 GLU N . 6528 1 732 . 1 1 58 58 LEU H H 1 7.98 0.02 . 1 . . . . 58 LEU H . 6528 1 733 . 1 1 58 58 LEU HA H 1 4.09 0.02 . 1 . . . . 58 LEU HA . 6528 1 734 . 1 1 58 58 LEU HB2 H 1 2.25 0.02 . 1 . . . . 58 LEU HB2 . 6528 1 735 . 1 1 58 58 LEU HB3 H 1 1.33 0.02 . 1 . . . . 58 LEU HB3 . 6528 1 736 . 1 1 58 58 LEU HG H 1 1.54 0.02 . 1 . . . . 58 LEU HG . 6528 1 737 . 1 1 58 58 LEU HD11 H 1 1.02 0.02 . 1 . . . . 58 LEU HD1 . 6528 1 738 . 1 1 58 58 LEU HD12 H 1 1.02 0.02 . 1 . . . . 58 LEU HD1 . 6528 1 739 . 1 1 58 58 LEU HD13 H 1 1.02 0.02 . 1 . . . . 58 LEU HD1 . 6528 1 740 . 1 1 58 58 LEU HD21 H 1 1.04 0.02 . 1 . . . . 58 LEU HD2 . 6528 1 741 . 1 1 58 58 LEU HD22 H 1 1.04 0.02 . 1 . . . . 58 LEU HD2 . 6528 1 742 . 1 1 58 58 LEU HD23 H 1 1.04 0.02 . 1 . . . . 58 LEU HD2 . 6528 1 743 . 1 1 58 58 LEU C C 13 177.20 0.30 . 1 . . . . 58 LEU C . 6528 1 744 . 1 1 58 58 LEU CA C 13 58.53 0.30 . 1 . . . . 58 LEU CA . 6528 1 745 . 1 1 58 58 LEU CB C 13 40.88 0.30 . 1 . . . . 58 LEU CB . 6528 1 746 . 1 1 58 58 LEU CG C 13 27.59 0.30 . 1 . . . . 58 LEU CG . 6528 1 747 . 1 1 58 58 LEU CD1 C 13 23.85 0.30 . 1 . . . . 58 LEU CD1 . 6528 1 748 . 1 1 58 58 LEU CD2 C 13 27.28 0.30 . 1 . . . . 58 LEU CD2 . 6528 1 749 . 1 1 58 58 LEU N N 15 121.92 0.20 . 1 . . . . 58 LEU N . 6528 1 750 . 1 1 59 59 GLU H H 1 7.87 0.02 . 1 . . . . 59 GLU H . 6528 1 751 . 1 1 59 59 GLU HA H 1 4.05 0.02 . 1 . . . . 59 GLU HA . 6528 1 752 . 1 1 59 59 GLU HB2 H 1 2.12 0.02 . 1 . . . . 59 GLU HB2 . 6528 1 753 . 1 1 59 59 GLU HB3 H 1 2.15 0.02 . 1 . . . . 59 GLU HB3 . 6528 1 754 . 1 1 59 59 GLU HG2 H 1 2.35 0.02 . 1 . . . . 59 GLU HG2 . 6528 1 755 . 1 1 59 59 GLU HG3 H 1 2.43 0.02 . 1 . . . . 59 GLU HG3 . 6528 1 756 . 1 1 59 59 GLU C C 13 178.90 0.30 . 1 . . . . 59 GLU C . 6528 1 757 . 1 1 59 59 GLU CA C 13 59.00 0.30 . 1 . . . . 59 GLU CA . 6528 1 758 . 1 1 59 59 GLU CB C 13 28.40 0.30 . 1 . . . . 59 GLU CB . 6528 1 759 . 1 1 59 59 GLU CG C 13 35.25 0.30 . 1 . . . . 59 GLU CG . 6528 1 760 . 1 1 59 59 GLU CD C 13 174.00 0.30 . 9 . . . . 59 GLU CD . 6528 1 761 . 1 1 59 59 GLU N N 15 118.74 0.20 . 1 . . . . 59 GLU N . 6528 1 762 . 1 1 60 60 LEU H H 1 7.74 0.02 . 1 . . . . 60 LEU H . 6528 1 763 . 1 1 60 60 LEU HA H 1 4.06 0.02 . 1 . . . . 60 LEU HA . 6528 1 764 . 1 1 60 60 LEU HB2 H 1 2.14 0.02 . 1 . . . . 60 LEU HB2 . 6528 1 765 . 1 1 60 60 LEU HB3 H 1 1.22 0.02 . 1 . . . . 60 LEU HB3 . 6528 1 766 . 1 1 60 60 LEU HG H 1 1.54 0.02 . 1 . . . . 60 LEU HG . 6528 1 767 . 1 1 60 60 LEU HD11 H 1 0.97 0.02 . 1 . . . . 60 LEU HD1 . 6528 1 768 . 1 1 60 60 LEU HD12 H 1 0.97 0.02 . 1 . . . . 60 LEU HD1 . 6528 1 769 . 1 1 60 60 LEU HD13 H 1 0.97 0.02 . 1 . . . . 60 LEU HD1 . 6528 1 770 . 1 1 60 60 LEU HD21 H 1 1.02 0.02 . 1 . . . . 60 LEU HD2 . 6528 1 771 . 1 1 60 60 LEU HD22 H 1 1.02 0.02 . 1 . . . . 60 LEU HD2 . 6528 1 772 . 1 1 60 60 LEU HD23 H 1 1.02 0.02 . 1 . . . . 60 LEU HD2 . 6528 1 773 . 1 1 60 60 LEU C C 13 177.50 0.30 . 1 . . . . 60 LEU C . 6528 1 774 . 1 1 60 60 LEU CA C 13 58.53 0.30 . 1 . . . . 60 LEU CA . 6528 1 775 . 1 1 60 60 LEU CB C 13 41.18 0.30 . 1 . . . . 60 LEU CB . 6528 1 776 . 1 1 60 60 LEU CG C 13 27.59 0.30 . 1 . . . . 60 LEU CG . 6528 1 777 . 1 1 60 60 LEU CD1 C 13 27.28 0.30 . 1 . . . . 60 LEU CD1 . 6528 1 778 . 1 1 60 60 LEU CD2 C 13 23.85 0.30 . 1 . . . . 60 LEU CD2 . 6528 1 779 . 1 1 60 60 LEU N N 15 119.90 0.20 . 1 . . . . 60 LEU N . 6528 1 780 . 1 1 61 61 VAL H H 1 8.21 0.02 . 1 . . . . 61 VAL H . 6528 1 781 . 1 1 61 61 VAL HA H 1 3.86 0.02 . 1 . . . . 61 VAL HA . 6528 1 782 . 1 1 61 61 VAL HB H 1 2.20 0.02 . 1 . . . . 61 VAL HB . 6528 1 783 . 1 1 61 61 VAL HG11 H 1 1.10 0.02 . 1 . . . . 61 VAL HG1 . 6528 1 784 . 1 1 61 61 VAL HG12 H 1 1.10 0.02 . 1 . . . . 61 VAL HG1 . 6528 1 785 . 1 1 61 61 VAL HG13 H 1 1.10 0.02 . 1 . . . . 61 VAL HG1 . 6528 1 786 . 1 1 61 61 VAL HG21 H 1 0.94 0.02 . 1 . . . . 61 VAL HG2 . 6528 1 787 . 1 1 61 61 VAL HG22 H 1 0.94 0.02 . 1 . . . . 61 VAL HG2 . 6528 1 788 . 1 1 61 61 VAL HG23 H 1 0.94 0.02 . 1 . . . . 61 VAL HG2 . 6528 1 789 . 1 1 61 61 VAL C C 13 179.30 0.30 . 1 . . . . 61 VAL C . 6528 1 790 . 1 1 61 61 VAL CA C 13 66.19 0.30 . 1 . . . . 61 VAL CA . 6528 1 791 . 1 1 61 61 VAL CB C 13 31.25 0.30 . 1 . . . . 61 VAL CB . 6528 1 792 . 1 1 61 61 VAL CG1 C 13 22.90 0.30 . 1 . . . . 61 VAL CG1 . 6528 1 793 . 1 1 61 61 VAL CG2 C 13 22.44 0.30 . 1 . . . . 61 VAL CG2 . 6528 1 794 . 1 1 61 61 VAL N N 15 118.93 0.20 . 1 . . . . 61 VAL N . 6528 1 795 . 1 1 62 62 LYS H H 1 8.36 0.02 . 1 . . . . 62 LYS H . 6528 1 796 . 1 1 62 62 LYS HA H 1 3.84 0.02 . 1 . . . . 62 LYS HA . 6528 1 797 . 1 1 62 62 LYS HB2 H 1 1.79 0.02 . 1 . . . . 62 LYS HB2 . 6528 1 798 . 1 1 62 62 LYS HB3 H 1 1.97 0.02 . 1 . . . . 62 LYS HB3 . 6528 1 799 . 1 1 62 62 LYS HG2 H 1 1.39 0.02 . 1 . . . . 62 LYS HG2 . 6528 1 800 . 1 1 62 62 LYS HG3 H 1 1.71 0.02 . 1 . . . . 62 LYS HG3 . 6528 1 801 . 1 1 62 62 LYS HD2 H 1 1.63 0.02 . 1 . . . . 62 LYS HD2 . 6528 1 802 . 1 1 62 62 LYS HD3 H 1 1.63 0.02 . 1 . . . . 62 LYS HD3 . 6528 1 803 . 1 1 62 62 LYS HE2 H 1 2.83 0.02 . 1 . . . . 62 LYS HE2 . 6528 1 804 . 1 1 62 62 LYS HE3 H 1 2.83 0.02 . 1 . . . . 62 LYS HE3 . 6528 1 805 . 1 1 62 62 LYS C C 13 180.00 0.30 . 1 . . . . 62 LYS C . 6528 1 806 . 1 1 62 62 LYS CA C 13 60.41 0.30 . 1 . . . . 62 LYS CA . 6528 1 807 . 1 1 62 62 LYS CB C 13 32.44 0.30 . 1 . . . . 62 LYS CB . 6528 1 808 . 1 1 62 62 LYS CG C 13 26.66 0.30 . 1 . . . . 62 LYS CG . 6528 1 809 . 1 1 62 62 LYS CD C 13 29.60 0.30 . 1 . . . . 62 LYS CD . 6528 1 810 . 1 1 62 62 LYS CE C 13 41.50 0.30 . 1 . . . . 62 LYS CE . 6528 1 811 . 1 1 62 62 LYS N N 15 119.77 0.20 . 1 . . . . 62 LYS N . 6528 1 812 . 1 1 63 63 GLU H H 1 8.07 0.02 . 1 . . . . 63 GLU H . 6528 1 813 . 1 1 63 63 GLU HA H 1 4.05 0.02 . 1 . . . . 63 GLU HA . 6528 1 814 . 1 1 63 63 GLU HB2 H 1 2.13 0.02 . 1 . . . . 63 GLU HB2 . 6528 1 815 . 1 1 63 63 GLU HB3 H 1 2.13 0.02 . 1 . . . . 63 GLU HB3 . 6528 1 816 . 1 1 63 63 GLU HG2 H 1 2.37 0.02 . 1 . . . . 63 GLU HG2 . 6528 1 817 . 1 1 63 63 GLU HG3 H 1 2.37 0.02 . 1 . . . . 63 GLU HG3 . 6528 1 818 . 1 1 63 63 GLU C C 13 180.00 0.30 . 1 . . . . 63 GLU C . 6528 1 819 . 1 1 63 63 GLU CA C 13 58.70 0.30 . 1 . . . . 63 GLU CA . 6528 1 820 . 1 1 63 63 GLU CB C 13 29.00 0.30 . 1 . . . . 63 GLU CB . 6528 1 821 . 1 1 63 63 GLU CG C 13 35.20 0.30 . 1 . . . . 63 GLU CG . 6528 1 822 . 1 1 63 63 GLU CD C 13 174.00 0.30 . 9 . . . . 63 GLU CD . 6528 1 823 . 1 1 63 63 GLU N N 15 120.15 0.20 . 1 . . . . 63 GLU N . 6528 1 824 . 1 1 64 64 GLU H H 1 8.75 0.02 . 1 . . . . 64 GLU H . 6528 1 825 . 1 1 64 64 GLU HA H 1 3.86 0.02 . 1 . . . . 64 GLU HA . 6528 1 826 . 1 1 64 64 GLU HB2 H 1 2.02 0.02 . 1 . . . . 64 GLU HB2 . 6528 1 827 . 1 1 64 64 GLU HB3 H 1 2.17 0.02 . 1 . . . . 64 GLU HB3 . 6528 1 828 . 1 1 64 64 GLU HG2 H 1 2.61 0.02 . 1 . . . . 64 GLU HG2 . 6528 1 829 . 1 1 64 64 GLU HG3 H 1 2.08 0.02 . 1 . . . . 64 GLU HG3 . 6528 1 830 . 1 1 64 64 GLU C C 13 176.90 0.30 . 1 . . . . 64 GLU C . 6528 1 831 . 1 1 64 64 GLU CA C 13 59.00 0.30 . 1 . . . . 64 GLU CA . 6528 1 832 . 1 1 64 64 GLU CB C 13 29.90 0.30 . 1 . . . . 64 GLU CB . 6528 1 833 . 1 1 64 64 GLU CG C 13 37.60 0.30 . 1 . . . . 64 GLU CG . 6528 1 834 . 1 1 64 64 GLU CD C 13 174.00 0.30 . 9 . . . . 64 GLU CD . 6528 1 835 . 1 1 64 64 GLU N N 15 118.61 0.20 . 1 . . . . 64 GLU N . 6528 1 836 . 1 1 65 65 ALA H H 1 7.41 0.02 . 1 . . . . 65 ALA H . 6528 1 837 . 1 1 65 65 ALA HA H 1 4.31 0.02 . 1 . . . . 65 ALA HA . 6528 1 838 . 1 1 65 65 ALA HB1 H 1 1.41 0.02 . 1 . . . . 65 ALA HB . 6528 1 839 . 1 1 65 65 ALA HB2 H 1 1.41 0.02 . 1 . . . . 65 ALA HB . 6528 1 840 . 1 1 65 65 ALA HB3 H 1 1.41 0.02 . 1 . . . . 65 ALA HB . 6528 1 841 . 1 1 65 65 ALA C C 13 177.60 0.30 . 1 . . . . 65 ALA C . 6528 1 842 . 1 1 65 65 ALA CA C 13 52.44 0.30 . 1 . . . . 65 ALA CA . 6528 1 843 . 1 1 65 65 ALA CB C 13 19.16 0.30 . 1 . . . . 65 ALA CB . 6528 1 844 . 1 1 65 65 ALA N N 15 120.11 0.20 . 1 . . . . 65 ALA N . 6528 1 845 . 1 1 66 66 LYS H H 1 6.97 0.02 . 1 . . . . 66 LYS H . 6528 1 846 . 1 1 66 66 LYS HA H 1 4.03 0.02 . 1 . . . . 66 LYS HA . 6528 1 847 . 1 1 66 66 LYS HB2 H 1 1.86 0.02 . 1 . . . . 66 LYS HB2 . 6528 1 848 . 1 1 66 66 LYS HB3 H 1 1.80 0.02 . 1 . . . . 66 LYS HB3 . 6528 1 849 . 1 1 66 66 LYS HG2 H 1 1.40 0.02 . 1 . . . . 66 LYS HG2 . 6528 1 850 . 1 1 66 66 LYS HG3 H 1 1.74 0.02 . 1 . . . . 66 LYS HG3 . 6528 1 851 . 1 1 66 66 LYS HD2 H 1 1.74 0.02 . 1 . . . . 66 LYS HD2 . 6528 1 852 . 1 1 66 66 LYS HD3 H 1 1.74 0.02 . 1 . . . . 66 LYS HD3 . 6528 1 853 . 1 1 66 66 LYS HE2 H 1 2.95 0.02 . 1 . . . . 66 LYS HE2 . 6528 1 854 . 1 1 66 66 LYS HE3 H 1 2.81 0.02 . 1 . . . . 66 LYS HE3 . 6528 1 855 . 1 1 66 66 LYS C C 13 175.10 0.30 . 1 . . . . 66 LYS C . 6528 1 856 . 1 1 66 66 LYS CA C 13 57.60 0.30 . 1 . . . . 66 LYS CA . 6528 1 857 . 1 1 66 66 LYS CB C 13 33.85 0.30 . 1 . . . . 66 LYS CB . 6528 1 858 . 1 1 66 66 LYS CG C 13 25.56 0.30 . 1 . . . . 66 LYS CG . 6528 1 859 . 1 1 66 66 LYS CD C 13 29.47 0.30 . 1 . . . . 66 LYS CD . 6528 1 860 . 1 1 66 66 LYS CE C 13 42.20 0.30 . 1 . . . . 66 LYS CE . 6528 1 861 . 1 1 66 66 LYS N N 15 121.02 0.20 . 1 . . . . 66 LYS N . 6528 1 862 . 1 1 67 67 GLU H H 1 8.07 0.02 . 1 . . . . 67 GLU H . 6528 1 863 . 1 1 67 67 GLU HA H 1 4.67 0.02 . 1 . . . . 67 GLU HA . 6528 1 864 . 1 1 67 67 GLU HB2 H 1 1.92 0.02 . 1 . . . . 67 GLU HB2 . 6528 1 865 . 1 1 67 67 GLU HB3 H 1 1.84 0.02 . 1 . . . . 67 GLU HB3 . 6528 1 866 . 1 1 67 67 GLU HG2 H 1 2.19 0.02 . 1 . . . . 67 GLU HG2 . 6528 1 867 . 1 1 67 67 GLU HG3 H 1 2.19 0.02 . 1 . . . . 67 GLU HG3 . 6528 1 868 . 1 1 67 67 GLU C C 13 174.00 0.30 . 9 . . . . 67 GLU C . 6528 1 869 . 1 1 67 67 GLU CA C 13 52.60 0.30 . 1 . . . . 67 GLU CA . 6528 1 870 . 1 1 67 67 GLU CB C 13 32.28 0.30 . 1 . . . . 67 GLU CB . 6528 1 871 . 1 1 67 67 GLU CG C 13 35.56 0.30 . 1 . . . . 67 GLU CG . 6528 1 872 . 1 1 67 67 GLU N N 15 121.06 0.20 . 1 . . . . 67 GLU N . 6528 1 873 . 1 1 68 68 PRO HA H 1 4.77 0.02 . 1 . . . . 68 PRO HA . 6528 1 874 . 1 1 68 68 PRO HB2 H 1 2.41 0.02 . 1 . . . . 68 PRO HB2 . 6528 1 875 . 1 1 68 68 PRO HB3 H 1 2.05 0.02 . 1 . . . . 68 PRO HB3 . 6528 1 876 . 1 1 68 68 PRO HG2 H 1 1.88 0.02 . 1 . . . . 68 PRO HG2 . 6528 1 877 . 1 1 68 68 PRO HG3 H 1 3.50 0.02 . 1 . . . . 68 PRO HG3 . 6528 1 878 . 1 1 68 68 PRO CA C 13 64.94 0.30 . 1 . . . . 68 PRO CA . 6528 1 879 . 1 1 69 69 ARG H H 1 8.63 0.02 . 1 . . . . 69 ARG H . 6528 1 880 . 1 1 69 69 ARG HA H 1 4.08 0.02 . 1 . . . . 69 ARG HA . 6528 1 881 . 1 1 69 69 ARG HB2 H 1 1.69 0.02 . 1 . . . . 69 ARG HB2 . 6528 1 882 . 1 1 69 69 ARG HB3 H 1 1.82 0.02 . 1 . . . . 69 ARG HB3 . 6528 1 883 . 1 1 69 69 ARG HG2 H 1 1.51 0.02 . 1 . . . . 69 ARG HG2 . 6528 1 884 . 1 1 69 69 ARG HG3 H 1 1.67 0.02 . 1 . . . . 69 ARG HG3 . 6528 1 885 . 1 1 69 69 ARG HD2 H 1 3.32 0.02 . 1 . . . . 69 ARG HD2 . 6528 1 886 . 1 1 69 69 ARG HD3 H 1 3.20 0.02 . 1 . . . . 69 ARG HD3 . 6528 1 887 . 1 1 69 69 ARG C C 13 176.33 0.30 . 1 . . . . 69 ARG C . 6528 1 888 . 1 1 69 69 ARG CA C 13 56.50 0.30 . 1 . . . . 69 ARG CA . 6528 1 889 . 1 1 69 69 ARG CB C 13 31.50 0.30 . 1 . . . . 69 ARG CB . 6528 1 890 . 1 1 69 69 ARG CG C 13 27.44 0.30 . 1 . . . . 69 ARG CG . 6528 1 891 . 1 1 69 69 ARG CD C 13 44.00 0.30 . 1 . . . . 69 ARG CD . 6528 1 892 . 1 1 69 69 ARG N N 15 123.42 0.20 . 1 . . . . 69 ARG N . 6528 1 893 . 1 1 70 70 ASN H H 1 9.65 0.02 . 1 . . . . 70 ASN H . 6528 1 894 . 1 1 70 70 ASN HA H 1 4.87 0.02 . 1 . . . . 70 ASN HA . 6528 1 895 . 1 1 70 70 ASN HB2 H 1 2.68 0.02 . 1 . . . . 70 ASN HB2 . 6528 1 896 . 1 1 70 70 ASN HB3 H 1 3.10 0.02 . 1 . . . . 70 ASN HB3 . 6528 1 897 . 1 1 70 70 ASN C C 13 175.78 0.30 . 1 . . . . 70 ASN C . 6528 1 898 . 1 1 70 70 ASN CA C 13 51.97 0.30 . 1 . . . . 70 ASN CA . 6528 1 899 . 1 1 70 70 ASN CB C 13 38.53 0.30 . 1 . . . . 70 ASN CB . 6528 1 900 . 1 1 70 70 ASN CG C 13 175.78 0.30 . 1 . . . . 70 ASN CG . 6528 1 901 . 1 1 70 70 ASN N N 15 126.43 0.20 . 1 . . . . 70 ASN N . 6528 1 902 . 1 1 70 70 ASN ND2 N 15 112.79 0.20 . 1 . . . . 70 ASN ND2 . 6528 1 903 . 1 1 71 71 GLU H H 1 8.96 0.02 . 1 . . . . 71 GLU H . 6528 1 904 . 1 1 71 71 GLU HA H 1 3.97 0.02 . 1 . . . . 71 GLU HA . 6528 1 905 . 1 1 71 71 GLU HB2 H 1 2.09 0.02 . 1 . . . . 71 GLU HB2 . 6528 1 906 . 1 1 71 71 GLU HB3 H 1 2.00 0.02 . 1 . . . . 71 GLU HB3 . 6528 1 907 . 1 1 71 71 GLU HG2 H 1 2.35 0.02 . 1 . . . . 71 GLU HG2 . 6528 1 908 . 1 1 71 71 GLU HG3 H 1 2.43 0.02 . 1 . . . . 71 GLU HG3 . 6528 1 909 . 1 1 71 71 GLU C C 13 179.00 0.30 . 1 . . . . 71 GLU C . 6528 1 910 . 1 1 71 71 GLU CA C 13 59.47 0.30 . 1 . . . . 71 GLU CA . 6528 1 911 . 1 1 71 71 GLU CB C 13 29.16 0.30 . 1 . . . . 71 GLU CB . 6528 1 912 . 1 1 71 71 GLU CG C 13 35.41 0.30 . 1 . . . . 71 GLU CG . 6528 1 913 . 1 1 71 71 GLU N N 15 125.23 0.20 . 1 . . . . 71 GLU N . 6528 1 914 . 1 1 72 72 GLU H H 1 8.28 0.02 . 1 . . . . 72 GLU H . 6528 1 915 . 1 1 72 72 GLU HA H 1 4.13 0.02 . 1 . . . . 72 GLU HA . 6528 1 916 . 1 1 72 72 GLU HB2 H 1 2.13 0.02 . 1 . . . . 72 GLU HB2 . 6528 1 917 . 1 1 72 72 GLU HB3 H 1 2.13 0.02 . 1 . . . . 72 GLU HB3 . 6528 1 918 . 1 1 72 72 GLU HG2 H 1 2.33 0.02 . 1 . . . . 72 GLU HG2 . 6528 1 919 . 1 1 72 72 GLU HG3 H 1 2.33 0.02 . 1 . . . . 72 GLU HG3 . 6528 1 920 . 1 1 72 72 GLU C C 13 179.20 0.30 . 1 . . . . 72 GLU C . 6528 1 921 . 1 1 72 72 GLU CA C 13 59.30 0.30 . 1 . . . . 72 GLU CA . 6528 1 922 . 1 1 72 72 GLU CB C 13 29.16 0.30 . 1 . . . . 72 GLU CB . 6528 1 923 . 1 1 72 72 GLU CG C 13 36.19 0.30 . 1 . . . . 72 GLU CG . 6528 1 924 . 1 1 72 72 GLU N N 15 120.16 0.20 . 1 . . . . 72 GLU N . 6528 1 925 . 1 1 73 73 LYS H H 1 7.69 0.02 . 1 . . . . 73 LYS H . 6528 1 926 . 1 1 73 73 LYS HA H 1 4.10 0.02 . 1 . . . . 73 LYS HA . 6528 1 927 . 1 1 73 73 LYS HB2 H 1 1.69 0.02 . 1 . . . . 73 LYS HB2 . 6528 1 928 . 1 1 73 73 LYS HB3 H 1 1.89 0.02 . 1 . . . . 73 LYS HB3 . 6528 1 929 . 1 1 73 73 LYS HG2 H 1 1.34 0.02 . 1 . . . . 73 LYS HG2 . 6528 1 930 . 1 1 73 73 LYS HG3 H 1 1.48 0.02 . 1 . . . . 73 LYS HG3 . 6528 1 931 . 1 1 73 73 LYS HD2 H 1 1.65 0.02 . 1 . . . . 73 LYS HD2 . 6528 1 932 . 1 1 73 73 LYS HE2 H 1 2.95 0.02 . 1 . . . . 73 LYS HE2 . 6528 1 933 . 1 1 73 73 LYS HE3 H 1 2.95 0.02 . 1 . . . . 73 LYS HE3 . 6528 1 934 . 1 1 73 73 LYS C C 13 180.80 0.30 . 1 . . . . 73 LYS C . 6528 1 935 . 1 1 73 73 LYS CA C 13 58.69 0.30 . 1 . . . . 73 LYS CA . 6528 1 936 . 1 1 73 73 LYS CB C 13 31.97 0.30 . 1 . . . . 73 LYS CB . 6528 1 937 . 1 1 73 73 LYS CG C 13 25.56 0.30 . 1 . . . . 73 LYS CG . 6528 1 938 . 1 1 73 73 LYS CD C 13 28.53 0.30 . 1 . . . . 73 LYS CD . 6528 1 939 . 1 1 73 73 LYS CE C 13 41.80 0.30 . 1 . . . . 73 LYS CE . 6528 1 940 . 1 1 73 73 LYS N N 15 120.97 0.20 . 1 . . . . 73 LYS N . 6528 1 941 . 1 1 74 74 VAL H H 1 8.32 0.02 . 1 . . . . 74 VAL H . 6528 1 942 . 1 1 74 74 VAL HA H 1 3.40 0.02 . 1 . . . . 74 VAL HA . 6528 1 943 . 1 1 74 74 VAL HB H 1 2.18 0.02 . 1 . . . . 74 VAL HB . 6528 1 944 . 1 1 74 74 VAL HG11 H 1 0.92 0.02 . 1 . . . . 74 VAL HG1 . 6528 1 945 . 1 1 74 74 VAL HG12 H 1 0.92 0.02 . 1 . . . . 74 VAL HG1 . 6528 1 946 . 1 1 74 74 VAL HG13 H 1 0.92 0.02 . 1 . . . . 74 VAL HG1 . 6528 1 947 . 1 1 74 74 VAL HG21 H 1 0.92 0.02 . 1 . . . . 74 VAL HG2 . 6528 1 948 . 1 1 74 74 VAL HG22 H 1 0.92 0.02 . 1 . . . . 74 VAL HG2 . 6528 1 949 . 1 1 74 74 VAL HG23 H 1 0.92 0.02 . 1 . . . . 74 VAL HG2 . 6528 1 950 . 1 1 74 74 VAL C C 13 177.30 0.30 . 1 . . . . 74 VAL C . 6528 1 951 . 1 1 74 74 VAL CA C 13 67.90 0.30 . 1 . . . . 74 VAL CA . 6528 1 952 . 1 1 74 74 VAL CB C 13 31.97 0.30 . 1 . . . . 74 VAL CB . 6528 1 953 . 1 1 74 74 VAL CG1 C 13 23.53 0.30 . 1 . . . . 74 VAL CG1 . 6528 1 954 . 1 1 74 74 VAL CG2 C 13 21.81 0.30 . 1 . . . . 74 VAL CG2 . 6528 1 955 . 1 1 74 74 VAL N N 15 123.01 0.20 . 1 . . . . 74 VAL N . 6528 1 956 . 1 1 75 75 LYS H H 1 8.11 0.02 . 1 . . . . 75 LYS H . 6528 1 957 . 1 1 75 75 LYS HA H 1 3.89 0.02 . 1 . . . . 75 LYS HA . 6528 1 958 . 1 1 75 75 LYS HB2 H 1 1.97 0.02 . 1 . . . . 75 LYS HB2 . 6528 1 959 . 1 1 75 75 LYS HB3 H 1 1.97 0.02 . 1 . . . . 75 LYS HB3 . 6528 1 960 . 1 1 75 75 LYS HG2 H 1 1.65 0.02 . 1 . . . . 75 LYS HG2 . 6528 1 961 . 1 1 75 75 LYS HG3 H 1 1.40 0.02 . 1 . . . . 75 LYS HG3 . 6528 1 962 . 1 1 75 75 LYS HD2 H 1 1.71 0.02 . 1 . . . . 75 LYS HD2 . 6528 1 963 . 1 1 75 75 LYS HD3 H 1 1.71 0.02 . 1 . . . . 75 LYS HD3 . 6528 1 964 . 1 1 75 75 LYS HE2 H 1 2.96 0.02 . 1 . . . . 75 LYS HE2 . 6528 1 965 . 1 1 75 75 LYS HE3 H 1 2.96 0.02 . 1 . . . . 75 LYS HE3 . 6528 1 966 . 1 1 75 75 LYS C C 13 180.40 0.30 . 1 . . . . 75 LYS C . 6528 1 967 . 1 1 75 75 LYS CA C 13 60.56 0.30 . 1 . . . . 75 LYS CA . 6528 1 968 . 1 1 75 75 LYS CB C 13 32.44 0.30 . 1 . . . . 75 LYS CB . 6528 1 969 . 1 1 75 75 LYS CG C 13 25.41 0.30 . 1 . . . . 75 LYS CG . 6528 1 970 . 1 1 75 75 LYS CD C 13 29.63 0.30 . 1 . . . . 75 LYS CD . 6528 1 971 . 1 1 75 75 LYS CE C 13 41.90 0.30 . 1 . . . . 75 LYS CE . 6528 1 972 . 1 1 75 75 LYS N N 15 120.67 0.20 . 1 . . . . 75 LYS N . 6528 1 973 . 1 1 76 76 GLN H H 1 8.07 0.02 . 1 . . . . 76 GLN H . 6528 1 974 . 1 1 76 76 GLN HA H 1 4.13 0.02 . 1 . . . . 76 GLN HA . 6528 1 975 . 1 1 76 76 GLN HB2 H 1 2.16 0.02 . 1 . . . . 76 GLN HB2 . 6528 1 976 . 1 1 76 76 GLN HB3 H 1 2.16 0.02 . 1 . . . . 76 GLN HB3 . 6528 1 977 . 1 1 76 76 GLN HG2 H 1 2.46 0.02 . 1 . . . . 76 GLN HG2 . 6528 1 978 . 1 1 76 76 GLN HG3 H 1 2.58 0.02 . 1 . . . . 76 GLN HG3 . 6528 1 979 . 1 1 76 76 GLN HE21 H 1 6.78 0.02 . 1 . . . . 76 GLN HE21 . 6528 1 980 . 1 1 76 76 GLN HE22 H 1 6.81 0.02 . 1 . . . . 76 GLN HE22 . 6528 1 981 . 1 1 76 76 GLN C C 13 178.40 0.30 . 1 . . . . 76 GLN C . 6528 1 982 . 1 1 76 76 GLN CA C 13 58.85 0.30 . 1 . . . . 76 GLN CA . 6528 1 983 . 1 1 76 76 GLN CB C 13 28.22 0.30 . 1 . . . . 76 GLN CB . 6528 1 984 . 1 1 76 76 GLN CG C 13 33.69 0.30 . 1 . . . . 76 GLN CG . 6528 1 985 . 1 1 76 76 GLN CD C 13 179.14 0.30 . 1 . . . . 76 GLN CD . 6528 1 986 . 1 1 76 76 GLN N N 15 120.66 0.20 . 1 . . . . 76 GLN N . 6528 1 987 . 1 1 76 76 GLN NE2 N 15 111.80 0.20 . 1 . . . . 76 GLN NE2 . 6528 1 988 . 1 1 77 77 ALA H H 1 8.36 0.02 . 1 . . . . 77 ALA H . 6528 1 989 . 1 1 77 77 ALA HA H 1 4.28 0.02 . 1 . . . . 77 ALA HA . 6528 1 990 . 1 1 77 77 ALA HB1 H 1 1.54 0.02 . 1 . . . . 77 ALA HB . 6528 1 991 . 1 1 77 77 ALA HB2 H 1 1.54 0.02 . 1 . . . . 77 ALA HB . 6528 1 992 . 1 1 77 77 ALA HB3 H 1 1.54 0.02 . 1 . . . . 77 ALA HB . 6528 1 993 . 1 1 77 77 ALA C C 13 181.40 0.30 . 1 . . . . 77 ALA C . 6528 1 994 . 1 1 77 77 ALA CA C 13 54.96 0.30 . 1 . . . . 77 ALA CA . 6528 1 995 . 1 1 77 77 ALA CB C 13 17.75 0.30 . 1 . . . . 77 ALA CB . 6528 1 996 . 1 1 77 77 ALA N N 15 124.49 0.20 . 1 . . . . 77 ALA N . 6528 1 997 . 1 1 78 78 LYS H H 1 8.88 0.02 . 1 . . . . 78 LYS H . 6528 1 998 . 1 1 78 78 LYS HA H 1 3.96 0.02 . 1 . . . . 78 LYS HA . 6528 1 999 . 1 1 78 78 LYS HB2 H 1 1.97 0.02 . 1 . . . . 78 LYS HB2 . 6528 1 1000 . 1 1 78 78 LYS HB3 H 1 1.97 0.02 . 1 . . . . 78 LYS HB3 . 6528 1 1001 . 1 1 78 78 LYS HG2 H 1 1.66 0.02 . 1 . . . . 78 LYS HG2 . 6528 1 1002 . 1 1 78 78 LYS HG3 H 1 1.40 0.02 . 1 . . . . 78 LYS HG3 . 6528 1 1003 . 1 1 78 78 LYS HD2 H 1 1.67 0.02 . 1 . . . . 78 LYS HD2 . 6528 1 1004 . 1 1 78 78 LYS HD3 H 1 1.67 0.02 . 1 . . . . 78 LYS HD3 . 6528 1 1005 . 1 1 78 78 LYS HE2 H 1 2.91 0.02 . 1 . . . . 78 LYS HE2 . 6528 1 1006 . 1 1 78 78 LYS HE3 H 1 2.91 0.02 . 1 . . . . 78 LYS HE3 . 6528 1 1007 . 1 1 78 78 LYS C C 13 178.80 0.30 . 1 . . . . 78 LYS C . 6528 1 1008 . 1 1 78 78 LYS CA C 13 60.41 0.30 . 1 . . . . 78 LYS CA . 6528 1 1009 . 1 1 78 78 LYS CB C 13 32.75 0.30 . 1 . . . . 78 LYS CB . 6528 1 1010 . 1 1 78 78 LYS CG C 13 26.97 0.30 . 1 . . . . 78 LYS CG . 6528 1 1011 . 1 1 78 78 LYS CD C 13 29.63 0.30 . 1 . . . . 78 LYS CD . 6528 1 1012 . 1 1 78 78 LYS CE C 13 41.90 0.30 . 1 . . . . 78 LYS CE . 6528 1 1013 . 1 1 78 78 LYS N N 15 122.40 0.20 . 1 . . . . 78 LYS N . 6528 1 1014 . 1 1 79 79 ALA H H 1 7.97 0.02 . 1 . . . . 79 ALA H . 6528 1 1015 . 1 1 79 79 ALA HA H 1 4.22 0.02 . 1 . . . . 79 ALA HA . 6528 1 1016 . 1 1 79 79 ALA HB1 H 1 1.56 0.02 . 1 . . . . 79 ALA HB . 6528 1 1017 . 1 1 79 79 ALA HB2 H 1 1.56 0.02 . 1 . . . . 79 ALA HB . 6528 1 1018 . 1 1 79 79 ALA HB3 H 1 1.56 0.02 . 1 . . . . 79 ALA HB . 6528 1 1019 . 1 1 79 79 ALA C C 13 180.80 0.30 . 1 . . . . 79 ALA C . 6528 1 1020 . 1 1 79 79 ALA CA C 13 54.94 0.30 . 1 . . . . 79 ALA CA . 6528 1 1021 . 1 1 79 79 ALA CB C 13 17.44 0.30 . 1 . . . . 79 ALA CB . 6528 1 1022 . 1 1 79 79 ALA N N 15 123.75 0.20 . 1 . . . . 79 ALA N . 6528 1 1023 . 1 1 80 80 GLU H H 1 8.03 0.02 . 1 . . . . 80 GLU H . 6528 1 1024 . 1 1 80 80 GLU HA H 1 4.31 0.02 . 1 . . . . 80 GLU HA . 6528 1 1025 . 1 1 80 80 GLU HB2 H 1 2.21 0.02 . 1 . . . . 80 GLU HB2 . 6528 1 1026 . 1 1 80 80 GLU HB3 H 1 2.21 0.02 . 1 . . . . 80 GLU HB3 . 6528 1 1027 . 1 1 80 80 GLU HG2 H 1 2.36 0.02 . 1 . . . . 80 GLU HG2 . 6528 1 1028 . 1 1 80 80 GLU HG3 H 1 2.48 0.02 . 1 . . . . 80 GLU HG3 . 6528 1 1029 . 1 1 80 80 GLU C C 13 179.05 0.30 . 1 . . . . 80 GLU C . 6528 1 1030 . 1 1 80 80 GLU CA C 13 59.00 0.30 . 1 . . . . 80 GLU CA . 6528 1 1031 . 1 1 80 80 GLU CB C 13 28.90 0.30 . 1 . . . . 80 GLU CB . 6528 1 1032 . 1 1 80 80 GLU CG C 13 34.94 0.30 . 1 . . . . 80 GLU CG . 6528 1 1033 . 1 1 80 80 GLU CD C 13 174.00 0.30 . 9 . . . . 80 GLU CD . 6528 1 1034 . 1 1 80 80 GLU N N 15 121.30 0.20 . 1 . . . . 80 GLU N . 6528 1 1035 . 1 1 81 81 VAL H H 1 7.82 0.02 . 1 . . . . 81 VAL H . 6528 1 1036 . 1 1 81 81 VAL HA H 1 3.44 0.02 . 1 . . . . 81 VAL HA . 6528 1 1037 . 1 1 81 81 VAL HB H 1 2.40 0.02 . 1 . . . . 81 VAL HB . 6528 1 1038 . 1 1 81 81 VAL HG11 H 1 1.02 0.02 . 1 . . . . 81 VAL HG1 . 6528 1 1039 . 1 1 81 81 VAL HG12 H 1 1.02 0.02 . 1 . . . . 81 VAL HG1 . 6528 1 1040 . 1 1 81 81 VAL HG13 H 1 1.02 0.02 . 1 . . . . 81 VAL HG1 . 6528 1 1041 . 1 1 81 81 VAL HG21 H 1 0.97 0.02 . 1 . . . . 81 VAL HG2 . 6528 1 1042 . 1 1 81 81 VAL HG22 H 1 0.97 0.02 . 1 . . . . 81 VAL HG2 . 6528 1 1043 . 1 1 81 81 VAL HG23 H 1 0.97 0.02 . 1 . . . . 81 VAL HG2 . 6528 1 1044 . 1 1 81 81 VAL C C 13 177.90 0.30 . 1 . . . . 81 VAL C . 6528 1 1045 . 1 1 81 81 VAL CA C 13 67.75 0.30 . 1 . . . . 81 VAL CA . 6528 1 1046 . 1 1 81 81 VAL CB C 13 31.66 0.30 . 1 . . . . 81 VAL CB . 6528 1 1047 . 1 1 81 81 VAL CG1 C 13 23.85 0.30 . 1 . . . . 81 VAL CG1 . 6528 1 1048 . 1 1 81 81 VAL CG2 C 13 21.97 0.30 . 1 . . . . 81 VAL CG2 . 6528 1 1049 . 1 1 81 81 VAL N N 15 120.20 0.20 . 1 . . . . 81 VAL N . 6528 1 1050 . 1 1 82 82 GLU H H 1 7.98 0.02 . 1 . . . . 82 GLU H . 6528 1 1051 . 1 1 82 82 GLU HA H 1 3.99 0.02 . 1 . . . . 82 GLU HA . 6528 1 1052 . 1 1 82 82 GLU HB2 H 1 2.15 0.02 . 1 . . . . 82 GLU HB2 . 6528 1 1053 . 1 1 82 82 GLU HB3 H 1 2.15 0.02 . 1 . . . . 82 GLU HB3 . 6528 1 1054 . 1 1 82 82 GLU HG2 H 1 2.35 0.02 . 1 . . . . 82 GLU HG2 . 6528 1 1055 . 1 1 82 82 GLU HG3 H 1 2.43 0.02 . 1 . . . . 82 GLU HG3 . 6528 1 1056 . 1 1 82 82 GLU C C 13 179.90 0.30 . 1 . . . . 82 GLU C . 6528 1 1057 . 1 1 82 82 GLU CA C 13 59.78 0.30 . 1 . . . . 82 GLU CA . 6528 1 1058 . 1 1 82 82 GLU CB C 13 28.70 0.30 . 1 . . . . 82 GLU CB . 6528 1 1059 . 1 1 82 82 GLU CG C 13 35.72 0.30 . 1 . . . . 82 GLU CG . 6528 1 1060 . 1 1 82 82 GLU N N 15 118.34 0.20 . 1 . . . . 82 GLU N . 6528 1 1061 . 1 1 83 83 SER H H 1 8.39 0.02 . 1 . . . . 83 SER H . 6528 1 1062 . 1 1 83 83 SER HA H 1 4.32 0.02 . 1 . . . . 83 SER HA . 6528 1 1063 . 1 1 83 83 SER HB2 H 1 4.05 0.02 . 1 . . . . 83 SER HB2 . 6528 1 1064 . 1 1 83 83 SER HB3 H 1 4.05 0.02 . 1 . . . . 83 SER HB3 . 6528 1 1065 . 1 1 83 83 SER C C 13 178.07 0.30 . 1 . . . . 83 SER C . 6528 1 1066 . 1 1 83 83 SER CA C 13 61.50 0.30 . 1 . . . . 83 SER CA . 6528 1 1067 . 1 1 83 83 SER CB C 13 62.75 0.30 . 1 . . . . 83 SER CB . 6528 1 1068 . 1 1 83 83 SER N N 15 117.04 0.20 . 1 . . . . 83 SER N . 6528 1 1069 . 1 1 84 84 LYS H H 1 8.48 0.02 . 1 . . . . 84 LYS H . 6528 1 1070 . 1 1 84 84 LYS HA H 1 4.17 0.02 . 1 . . . . 84 LYS HA . 6528 1 1071 . 1 1 84 84 LYS HB2 H 1 1.92 0.02 . 1 . . . . 84 LYS HB2 . 6528 1 1072 . 1 1 84 84 LYS HB3 H 1 2.06 0.02 . 1 . . . . 84 LYS HB3 . 6528 1 1073 . 1 1 84 84 LYS HG2 H 1 1.82 0.02 . 1 . . . . 84 LYS HG2 . 6528 1 1074 . 1 1 84 84 LYS HG3 H 1 1.46 0.02 . 1 . . . . 84 LYS HG3 . 6528 1 1075 . 1 1 84 84 LYS HD2 H 1 1.64 0.02 . 1 . . . . 84 LYS HD2 . 6528 1 1076 . 1 1 84 84 LYS HD3 H 1 1.64 0.02 . 1 . . . . 84 LYS HD3 . 6528 1 1077 . 1 1 84 84 LYS HE2 H 1 3.11 0.02 . 1 . . . . 84 LYS HE2 . 6528 1 1078 . 1 1 84 84 LYS HE3 H 1 2.99 0.02 . 1 . . . . 84 LYS HE3 . 6528 1 1079 . 1 1 84 84 LYS C C 13 180.81 0.30 . 1 . . . . 84 LYS C . 6528 1 1080 . 1 1 84 84 LYS CA C 13 57.30 0.30 . 1 . . . . 84 LYS CA . 6528 1 1081 . 1 1 84 84 LYS CB C 13 30.20 0.30 . 1 . . . . 84 LYS CB . 6528 1 1082 . 1 1 84 84 LYS CG C 13 24.50 0.30 . 1 . . . . 84 LYS CG . 6528 1 1083 . 1 1 84 84 LYS CD C 13 26.90 0.30 . 1 . . . . 84 LYS CD . 6528 1 1084 . 1 1 84 84 LYS CE C 13 42.10 0.30 . 1 . . . . 84 LYS CE . 6528 1 1085 . 1 1 84 84 LYS N N 15 122.00 0.20 . 1 . . . . 84 LYS N . 6528 1 1086 . 1 1 85 85 LYS H H 1 9.10 0.02 . 1 . . . . 85 LYS H . 6528 1 1087 . 1 1 85 85 LYS HA H 1 4.01 0.02 . 1 . . . . 85 LYS HA . 6528 1 1088 . 1 1 85 85 LYS HB2 H 1 1.91 0.02 . 1 . . . . 85 LYS HB2 . 6528 1 1089 . 1 1 85 85 LYS HB3 H 1 1.89 0.02 . 1 . . . . 85 LYS HB3 . 6528 1 1090 . 1 1 85 85 LYS HG2 H 1 1.71 0.02 . 1 . . . . 85 LYS HG2 . 6528 1 1091 . 1 1 85 85 LYS HG3 H 1 1.45 0.02 . 1 . . . . 85 LYS HG3 . 6528 1 1092 . 1 1 85 85 LYS HD2 H 1 1.62 0.02 . 1 . . . . 85 LYS HD2 . 6528 1 1093 . 1 1 85 85 LYS HD3 H 1 1.62 0.02 . 1 . . . . 85 LYS HD3 . 6528 1 1094 . 1 1 85 85 LYS HE2 H 1 2.77 0.02 . 1 . . . . 85 LYS HE2 . 6528 1 1095 . 1 1 85 85 LYS HE3 H 1 2.85 0.02 . 1 . . . . 85 LYS HE3 . 6528 1 1096 . 1 1 85 85 LYS C C 13 178.91 0.30 . 1 . . . . 85 LYS C . 6528 1 1097 . 1 1 85 85 LYS CA C 13 60.41 0.30 . 1 . . . . 85 LYS CA . 6528 1 1098 . 1 1 85 85 LYS CB C 13 32.44 0.30 . 1 . . . . 85 LYS CB . 6528 1 1099 . 1 1 85 85 LYS CG C 13 26.90 0.30 . 1 . . . . 85 LYS CG . 6528 1 1100 . 1 1 85 85 LYS CD C 13 29.50 0.30 . 1 . . . . 85 LYS CD . 6528 1 1101 . 1 1 85 85 LYS CE C 13 41.90 0.30 . 1 . . . . 85 LYS CE . 6528 1 1102 . 1 1 85 85 LYS N N 15 123.42 0.20 . 1 . . . . 85 LYS N . 6528 1 1103 . 1 1 86 86 ALA H H 1 8.18 0.02 . 1 . . . . 86 ALA H . 6528 1 1104 . 1 1 86 86 ALA HA H 1 4.20 0.02 . 1 . . . . 86 ALA HA . 6528 1 1105 . 1 1 86 86 ALA HB1 H 1 1.58 0.02 . 1 . . . . 86 ALA HB . 6528 1 1106 . 1 1 86 86 ALA HB2 H 1 1.58 0.02 . 1 . . . . 86 ALA HB . 6528 1 1107 . 1 1 86 86 ALA HB3 H 1 1.58 0.02 . 1 . . . . 86 ALA HB . 6528 1 1108 . 1 1 86 86 ALA C C 13 180.77 0.30 . 1 . . . . 86 ALA C . 6528 1 1109 . 1 1 86 86 ALA CA C 13 54.96 0.30 . 1 . . . . 86 ALA CA . 6528 1 1110 . 1 1 86 86 ALA CB C 13 17.45 0.30 . 1 . . . . 86 ALA CB . 6528 1 1111 . 1 1 86 86 ALA N N 15 124.17 0.20 . 1 . . . . 86 ALA N . 6528 1 1112 . 1 1 87 87 GLU H H 1 7.42 0.02 . 1 . . . . 87 GLU H . 6528 1 1113 . 1 1 87 87 GLU HA H 1 4.51 0.02 . 1 . . . . 87 GLU HA . 6528 1 1114 . 1 1 87 87 GLU HB2 H 1 2.16 0.02 . 1 . . . . 87 GLU HB2 . 6528 1 1115 . 1 1 87 87 GLU HB3 H 1 2.03 0.02 . 1 . . . . 87 GLU HB3 . 6528 1 1116 . 1 1 87 87 GLU HG2 H 1 2.28 0.02 . 1 . . . . 87 GLU HG2 . 6528 1 1117 . 1 1 87 87 GLU HG3 H 1 2.50 0.02 . 1 . . . . 87 GLU HG3 . 6528 1 1118 . 1 1 87 87 GLU C C 13 177.78 0.30 . 1 . . . . 87 GLU C . 6528 1 1119 . 1 1 87 87 GLU CA C 13 58.10 0.30 . 1 . . . . 87 GLU CA . 6528 1 1120 . 1 1 87 87 GLU CB C 13 28.60 0.30 . 1 . . . . 87 GLU CB . 6528 1 1121 . 1 1 87 87 GLU CG C 13 34.00 0.30 . 1 . . . . 87 GLU CG . 6528 1 1122 . 1 1 87 87 GLU CD C 13 174.00 0.30 . 1 . . . . 87 GLU CD . 6528 1 1123 . 1 1 87 87 GLU N N 15 121.52 0.20 . 1 . . . . 87 GLU N . 6528 1 1124 . 1 1 88 88 ALA H H 1 7.66 0.02 . 1 . . . . 88 ALA H . 6528 1 1125 . 1 1 88 88 ALA HA H 1 4.15 0.02 . 1 . . . . 88 ALA HA . 6528 1 1126 . 1 1 88 88 ALA HB1 H 1 1.51 0.02 . 1 . . . . 88 ALA HB . 6528 1 1127 . 1 1 88 88 ALA HB2 H 1 1.51 0.02 . 1 . . . . 88 ALA HB . 6528 1 1128 . 1 1 88 88 ALA HB3 H 1 1.51 0.02 . 1 . . . . 88 ALA HB . 6528 1 1129 . 1 1 88 88 ALA C C 13 180.81 0.30 . 1 . . . . 88 ALA C . 6528 1 1130 . 1 1 88 88 ALA CA C 13 55.72 0.30 . 1 . . . . 88 ALA CA . 6528 1 1131 . 1 1 88 88 ALA CB C 13 18.22 0.30 . 1 . . . . 88 ALA CB . 6528 1 1132 . 1 1 88 88 ALA N N 15 123.40 0.20 . 1 . . . . 88 ALA N . 6528 1 1133 . 1 1 89 89 THR H H 1 8.63 0.02 . 1 . . . . 89 THR H . 6528 1 1134 . 1 1 89 89 THR HA H 1 3.91 0.02 . 1 . . . . 89 THR HA . 6528 1 1135 . 1 1 89 89 THR HB H 1 4.27 0.02 . 1 . . . . 89 THR HB . 6528 1 1136 . 1 1 89 89 THR HG21 H 1 1.27 0.02 . 1 . . . . 89 THR HG2 . 6528 1 1137 . 1 1 89 89 THR HG22 H 1 1.27 0.02 . 1 . . . . 89 THR HG2 . 6528 1 1138 . 1 1 89 89 THR HG23 H 1 1.27 0.02 . 1 . . . . 89 THR HG2 . 6528 1 1139 . 1 1 89 89 THR C C 13 176.15 0.30 . 1 . . . . 89 THR C . 6528 1 1140 . 1 1 89 89 THR CA C 13 66.34 0.30 . 1 . . . . 89 THR CA . 6528 1 1141 . 1 1 89 89 THR CB C 13 68.21 0.30 . 1 . . . . 89 THR CB . 6528 1 1142 . 1 1 89 89 THR CG2 C 13 21.80 0.30 . 1 . . . . 89 THR CG2 . 6528 1 1143 . 1 1 89 89 THR N N 15 117.00 0.20 . 1 . . . . 89 THR N . 6528 1 1144 . 1 1 90 90 ARG H H 1 7.93 0.02 . 1 . . . . 90 ARG H . 6528 1 1145 . 1 1 90 90 ARG HA H 1 4.01 0.02 . 1 . . . . 90 ARG HA . 6528 1 1146 . 1 1 90 90 ARG HB2 H 1 2.20 0.02 . 1 . . . . 90 ARG HB2 . 6528 1 1147 . 1 1 90 90 ARG HB3 H 1 1.94 0.02 . 1 . . . . 90 ARG HB3 . 6528 1 1148 . 1 1 90 90 ARG HG2 H 1 1.70 0.02 . 1 . . . . 90 ARG HG2 . 6528 1 1149 . 1 1 90 90 ARG HG3 H 1 1.39 0.02 . 1 . . . . 90 ARG HG3 . 6528 1 1150 . 1 1 90 90 ARG HD2 H 1 3.39 0.02 . 1 . . . . 90 ARG HD2 . 6528 1 1151 . 1 1 90 90 ARG HD3 H 1 3.04 0.02 . 1 . . . . 90 ARG HD3 . 6528 1 1152 . 1 1 90 90 ARG C C 13 179.32 0.30 . 1 . . . . 90 ARG C . 6528 1 1153 . 1 1 90 90 ARG CA C 13 59.93 0.30 . 1 . . . . 90 ARG CA . 6528 1 1154 . 1 1 90 90 ARG CB C 13 30.40 0.30 . 1 . . . . 90 ARG CB . 6528 1 1155 . 1 1 90 90 ARG CG C 13 27.70 0.30 . 1 . . . . 90 ARG CG . 6528 1 1156 . 1 1 90 90 ARG CD C 13 42.80 0.30 . 1 . . . . 90 ARG CD . 6528 1 1157 . 1 1 90 90 ARG N N 15 125.11 0.20 . 1 . . . . 90 ARG N . 6528 1 1158 . 1 1 91 91 LEU H H 1 7.92 0.02 . 1 . . . . 91 LEU H . 6528 1 1159 . 1 1 91 91 LEU HA H 1 4.03 0.02 . 1 . . . . 91 LEU HA . 6528 1 1160 . 1 1 91 91 LEU HB2 H 1 1.36 0.02 . 1 . . . . 91 LEU HB2 . 6528 1 1161 . 1 1 91 91 LEU HB3 H 1 2.02 0.02 . 1 . . . . 91 LEU HB3 . 6528 1 1162 . 1 1 91 91 LEU HG H 1 1.83 0.02 . 1 . . . . 91 LEU HG . 6528 1 1163 . 1 1 91 91 LEU HD11 H 1 0.87 0.02 . 1 . . . . 91 LEU HD1 . 6528 1 1164 . 1 1 91 91 LEU HD12 H 1 0.87 0.02 . 1 . . . . 91 LEU HD1 . 6528 1 1165 . 1 1 91 91 LEU HD13 H 1 0.87 0.02 . 1 . . . . 91 LEU HD1 . 6528 1 1166 . 1 1 91 91 LEU HD21 H 1 0.78 0.02 . 1 . . . . 91 LEU HD2 . 6528 1 1167 . 1 1 91 91 LEU HD22 H 1 0.78 0.02 . 1 . . . . 91 LEU HD2 . 6528 1 1168 . 1 1 91 91 LEU HD23 H 1 0.78 0.02 . 1 . . . . 91 LEU HD2 . 6528 1 1169 . 1 1 91 91 LEU C C 13 178.88 0.30 . 1 . . . . 91 LEU C . 6528 1 1170 . 1 1 91 91 LEU CA C 13 57.90 0.30 . 1 . . . . 91 LEU CA . 6528 1 1171 . 1 1 91 91 LEU CB C 13 43.22 0.30 . 1 . . . . 91 LEU CB . 6528 1 1172 . 1 1 91 91 LEU CG C 13 27.13 0.30 . 1 . . . . 91 LEU CG . 6528 1 1173 . 1 1 91 91 LEU CD1 C 13 26.97 0.30 . 1 . . . . 91 LEU CD1 . 6528 1 1174 . 1 1 91 91 LEU CD2 C 13 22.75 0.30 . 1 . . . . 91 LEU CD2 . 6528 1 1175 . 1 1 91 91 LEU N N 15 120.15 0.20 . 1 . . . . 91 LEU N . 6528 1 1176 . 1 1 92 92 GLU H H 1 8.18 0.02 . 1 . . . . 92 GLU H . 6528 1 1177 . 1 1 92 92 GLU HA H 1 4.00 0.02 . 1 . . . . 92 GLU HA . 6528 1 1178 . 1 1 92 92 GLU HB2 H 1 2.17 0.02 . 1 . . . . 92 GLU HB2 . 6528 1 1179 . 1 1 92 92 GLU HB3 H 1 2.17 0.02 . 1 . . . . 92 GLU HB3 . 6528 1 1180 . 1 1 92 92 GLU HG2 H 1 2.36 0.02 . 1 . . . . 92 GLU HG2 . 6528 1 1181 . 1 1 92 92 GLU HG3 H 1 2.36 0.02 . 1 . . . . 92 GLU HG3 . 6528 1 1182 . 1 1 92 92 GLU C C 13 178.97 0.30 . 1 . . . . 92 GLU C . 6528 1 1183 . 1 1 92 92 GLU CA C 13 58.69 0.30 . 1 . . . . 92 GLU CA . 6528 1 1184 . 1 1 92 92 GLU CB C 13 28.90 0.30 . 1 . . . . 92 GLU CB . 6528 1 1185 . 1 1 92 92 GLU CG C 13 35.05 0.30 . 1 . . . . 92 GLU CG . 6528 1 1186 . 1 1 92 92 GLU CD C 13 174.00 0.30 . 9 . . . . 92 GLU CD . 6528 1 1187 . 1 1 92 92 GLU N N 15 119.68 0.20 . 1 . . . . 92 GLU N . 6528 1 1188 . 1 1 93 93 LYS H H 1 8.04 0.02 . 1 . . . . 93 LYS H . 6528 1 1189 . 1 1 93 93 LYS HA H 1 4.16 0.02 . 1 . . . . 93 LYS HA . 6528 1 1190 . 1 1 93 93 LYS HB2 H 1 2.09 0.02 . 1 . . . . 93 LYS HB2 . 6528 1 1191 . 1 1 93 93 LYS HB3 H 1 1.92 0.02 . 1 . . . . 93 LYS HB3 . 6528 1 1192 . 1 1 93 93 LYS HG2 H 1 1.47 0.02 . 1 . . . . 93 LYS HG2 . 6528 1 1193 . 1 1 93 93 LYS HG3 H 1 1.47 0.02 . 1 . . . . 93 LYS HG3 . 6528 1 1194 . 1 1 93 93 LYS HD2 H 1 1.66 0.02 . 1 . . . . 93 LYS HD2 . 6528 1 1195 . 1 1 93 93 LYS HD3 H 1 1.66 0.02 . 1 . . . . 93 LYS HD3 . 6528 1 1196 . 1 1 93 93 LYS HE2 H 1 2.96 0.02 . 1 . . . . 93 LYS HE2 . 6528 1 1197 . 1 1 93 93 LYS HE3 H 1 2.97 0.02 . 1 . . . . 93 LYS HE3 . 6528 1 1198 . 1 1 93 93 LYS C C 13 178.30 0.30 . 1 . . . . 93 LYS C . 6528 1 1199 . 1 1 93 93 LYS CA C 13 59.10 0.30 . 1 . . . . 93 LYS CA . 6528 1 1200 . 1 1 93 93 LYS CB C 13 31.90 0.30 . 1 . . . . 93 LYS CB . 6528 1 1201 . 1 1 93 93 LYS CG C 13 25.10 0.30 . 1 . . . . 93 LYS CG . 6528 1 1202 . 1 1 93 93 LYS CD C 13 28.80 0.30 . 1 . . . . 93 LYS CD . 6528 1 1203 . 1 1 93 93 LYS CE C 13 42.20 0.30 . 1 . . . . 93 LYS CE . 6528 1 1204 . 1 1 93 93 LYS N N 15 121.54 0.20 . 1 . . . . 93 LYS N . 6528 1 1205 . 1 1 94 94 ILE H H 1 7.58 0.02 . 1 . . . . 94 ILE H . 6528 1 1206 . 1 1 94 94 ILE HA H 1 3.79 0.02 . 1 . . . . 94 ILE HA . 6528 1 1207 . 1 1 94 94 ILE HB H 1 2.16 0.02 . 1 . . . . 94 ILE HB . 6528 1 1208 . 1 1 94 94 ILE HG12 H 1 1.07 0.02 . 1 . . . . 94 ILE HG12 . 6528 1 1209 . 1 1 94 94 ILE HG13 H 1 1.95 0.02 . 1 . . . . 94 ILE HG13 . 6528 1 1210 . 1 1 94 94 ILE HG21 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 6528 1 1211 . 1 1 94 94 ILE HG22 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 6528 1 1212 . 1 1 94 94 ILE HG23 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 6528 1 1213 . 1 1 94 94 ILE HD11 H 1 0.90 0.02 . 1 . . . . 94 ILE HD1 . 6528 1 1214 . 1 1 94 94 ILE HD12 H 1 0.90 0.02 . 1 . . . . 94 ILE HD1 . 6528 1 1215 . 1 1 94 94 ILE HD13 H 1 0.90 0.02 . 1 . . . . 94 ILE HD1 . 6528 1 1216 . 1 1 94 94 ILE C C 13 178.91 0.30 . 1 . . . . 94 ILE C . 6528 1 1217 . 1 1 94 94 ILE CA C 13 65.50 0.30 . 1 . . . . 94 ILE CA . 6528 1 1218 . 1 1 94 94 ILE CB C 13 37.44 0.30 . 1 . . . . 94 ILE CB . 6528 1 1219 . 1 1 94 94 ILE CG1 C 13 28.83 0.30 . 1 . . . . 94 ILE CG1 . 6528 1 1220 . 1 1 94 94 ILE CG2 C 13 17.50 0.30 . 1 . . . . 94 ILE CG2 . 6528 1 1221 . 1 1 94 94 ILE CD1 C 13 13.15 0.30 . 1 . . . . 94 ILE CD1 . 6528 1 1222 . 1 1 94 94 ILE N N 15 121.10 0.20 . 1 . . . . 94 ILE N . 6528 1 1223 . 1 1 95 95 LYS H H 1 7.85 0.02 . 1 . . . . 95 LYS H . 6528 1 1224 . 1 1 95 95 LYS HA H 1 3.79 0.02 . 1 . . . . 95 LYS HA . 6528 1 1225 . 1 1 95 95 LYS HB2 H 1 1.71 0.02 . 1 . . . . 95 LYS HB2 . 6528 1 1226 . 1 1 95 95 LYS HB3 H 1 2.22 0.02 . 1 . . . . 95 LYS HB3 . 6528 1 1227 . 1 1 95 95 LYS HG2 H 1 1.33 0.02 . 1 . . . . 95 LYS HG2 . 6528 1 1228 . 1 1 95 95 LYS HG3 H 1 1.47 0.02 . 1 . . . . 95 LYS HG3 . 6528 1 1229 . 1 1 95 95 LYS HD2 H 1 1.63 0.02 . 1 . . . . 95 LYS HD2 . 6528 1 1230 . 1 1 95 95 LYS HD3 H 1 1.63 0.02 . 1 . . . . 95 LYS HD3 . 6528 1 1231 . 1 1 95 95 LYS HE2 H 1 2.97 0.02 . 1 . . . . 95 LYS HE2 . 6528 1 1232 . 1 1 95 95 LYS HE3 H 1 2.97 0.02 . 1 . . . . 95 LYS HE3 . 6528 1 1233 . 1 1 95 95 LYS C C 13 178.95 0.30 . 1 . . . . 95 LYS C . 6528 1 1234 . 1 1 95 95 LYS CA C 13 59.93 0.30 . 1 . . . . 95 LYS CA . 6528 1 1235 . 1 1 95 95 LYS CB C 13 31.94 0.30 . 1 . . . . 95 LYS CB . 6528 1 1236 . 1 1 95 95 LYS CG C 13 24.60 0.30 . 1 . . . . 95 LYS CG . 6528 1 1237 . 1 1 95 95 LYS CD C 13 29.40 0.30 . 1 . . . . 95 LYS CD . 6528 1 1238 . 1 1 95 95 LYS CE C 13 41.90 0.30 . 1 . . . . 95 LYS CE . 6528 1 1239 . 1 1 95 95 LYS N N 15 121.54 0.20 . 1 . . . . 95 LYS N . 6528 1 1240 . 1 1 96 96 THR H H 1 8.69 0.02 . 1 . . . . 96 THR H . 6528 1 1241 . 1 1 96 96 THR HA H 1 3.95 0.02 . 1 . . . . 96 THR HA . 6528 1 1242 . 1 1 96 96 THR HB H 1 4.36 0.02 . 1 . . . . 96 THR HB . 6528 1 1243 . 1 1 96 96 THR HG21 H 1 1.31 0.02 . 1 . . . . 96 THR HG2 . 6528 1 1244 . 1 1 96 96 THR HG22 H 1 1.31 0.02 . 1 . . . . 96 THR HG2 . 6528 1 1245 . 1 1 96 96 THR HG23 H 1 1.31 0.02 . 1 . . . . 96 THR HG2 . 6528 1 1246 . 1 1 96 96 THR C C 13 177.02 0.30 . 1 . . . . 96 THR C . 6528 1 1247 . 1 1 96 96 THR CA C 13 66.34 0.30 . 1 . . . . 96 THR CA . 6528 1 1248 . 1 1 96 96 THR CB C 13 68.21 0.30 . 1 . . . . 96 THR CB . 6528 1 1249 . 1 1 96 96 THR CG2 C 13 21.80 0.30 . 1 . . . . 96 THR CG2 . 6528 1 1250 . 1 1 96 96 THR N N 15 117.60 0.20 . 1 . . . . 96 THR N . 6528 1 1251 . 1 1 97 97 ASP H H 1 8.84 0.02 . 1 . . . . 97 ASP H . 6528 1 1252 . 1 1 97 97 ASP HA H 1 4.41 0.02 . 1 . . . . 97 ASP HA . 6528 1 1253 . 1 1 97 97 ASP HB2 H 1 2.92 0.02 . 1 . . . . 97 ASP HB2 . 6528 1 1254 . 1 1 97 97 ASP HB3 H 1 2.65 0.02 . 1 . . . . 97 ASP HB3 . 6528 1 1255 . 1 1 97 97 ASP C C 13 179.25 0.30 . 1 . . . . 97 ASP C . 6528 1 1256 . 1 1 97 97 ASP CA C 13 56.82 0.30 . 1 . . . . 97 ASP CA . 6528 1 1257 . 1 1 97 97 ASP CB C 13 39.66 0.30 . 1 . . . . 97 ASP CB . 6528 1 1258 . 1 1 97 97 ASP CG C 13 177.84 0.30 . 1 . . . . 97 ASP CG . 6528 1 1259 . 1 1 97 97 ASP N N 15 125.23 0.20 . 1 . . . . 97 ASP N . 6528 1 1260 . 1 1 98 98 ARG H H 1 8.41 0.02 . 1 . . . . 98 ARG H . 6528 1 1261 . 1 1 98 98 ARG HA H 1 4.15 0.02 . 1 . . . . 98 ARG HA . 6528 1 1262 . 1 1 98 98 ARG HB2 H 1 1.99 0.02 . 1 . . . . 98 ARG HB2 . 6528 1 1263 . 1 1 98 98 ARG HB3 H 1 1.99 0.02 . 1 . . . . 98 ARG HB3 . 6528 1 1264 . 1 1 98 98 ARG HG2 H 1 1.69 0.02 . 1 . . . . 98 ARG HG2 . 6528 1 1265 . 1 1 98 98 ARG HG3 H 1 1.91 0.02 . 1 . . . . 98 ARG HG3 . 6528 1 1266 . 1 1 98 98 ARG HD2 H 1 3.17 0.02 . 1 . . . . 98 ARG HD2 . 6528 1 1267 . 1 1 98 98 ARG HD3 H 1 3.07 0.02 . 1 . . . . 98 ARG HD3 . 6528 1 1268 . 1 1 98 98 ARG C C 13 176.40 0.30 . 1 . . . . 98 ARG C . 6528 1 1269 . 1 1 98 98 ARG CA C 13 59.49 0.30 . 1 . . . . 98 ARG CA . 6528 1 1270 . 1 1 98 98 ARG CB C 13 30.19 0.30 . 1 . . . . 98 ARG CB . 6528 1 1271 . 1 1 98 98 ARG CG C 13 27.00 0.30 . 1 . . . . 98 ARG CG . 6528 1 1272 . 1 1 98 98 ARG CD C 13 43.90 0.30 . 1 . . . . 98 ARG CD . 6528 1 1273 . 1 1 98 98 ARG N N 15 122.96 0.20 . 1 . . . . 98 ARG N . 6528 1 1274 . 1 1 99 99 LYS H H 1 8.03 0.02 . 1 . . . . 99 LYS H . 6528 1 1275 . 1 1 99 99 LYS HA H 1 4.20 0.02 . 1 . . . . 99 LYS HA . 6528 1 1276 . 1 1 99 99 LYS HB2 H 1 1.98 0.02 . 1 . . . . 99 LYS HB2 . 6528 1 1277 . 1 1 99 99 LYS HB3 H 1 1.98 0.02 . 1 . . . . 99 LYS HB3 . 6528 1 1278 . 1 1 99 99 LYS HG2 H 1 1.49 0.02 . 1 . . . . 99 LYS HG2 . 6528 1 1279 . 1 1 99 99 LYS HG3 H 1 1.60 0.02 . 1 . . . . 99 LYS HG3 . 6528 1 1280 . 1 1 99 99 LYS HD2 H 1 1.70 0.02 . 1 . . . . 99 LYS HD2 . 6528 1 1281 . 1 1 99 99 LYS HD3 H 1 1.70 0.02 . 1 . . . . 99 LYS HD3 . 6528 1 1282 . 1 1 99 99 LYS HE2 H 1 2.99 0.02 . 1 . . . . 99 LYS HE2 . 6528 1 1283 . 1 1 99 99 LYS HE3 H 1 2.99 0.02 . 1 . . . . 99 LYS HE3 . 6528 1 1284 . 1 1 99 99 LYS C C 13 177.80 0.30 . 1 . . . . 99 LYS C . 6528 1 1285 . 1 1 99 99 LYS CA C 13 58.80 0.30 . 1 . . . . 99 LYS CA . 6528 1 1286 . 1 1 99 99 LYS CB C 13 31.90 0.30 . 1 . . . . 99 LYS CB . 6528 1 1287 . 1 1 99 99 LYS CG C 13 24.50 0.30 . 1 . . . . 99 LYS CG . 6528 1 1288 . 1 1 99 99 LYS CD C 13 29.00 0.30 . 1 . . . . 99 LYS CD . 6528 1 1289 . 1 1 99 99 LYS CE C 13 41.80 0.30 . 1 . . . . 99 LYS CE . 6528 1 1290 . 1 1 99 99 LYS N N 15 121.92 0.20 . 1 . . . . 99 LYS N . 6528 1 1291 . 1 1 100 100 LYS H H 1 8.12 0.02 . 1 . . . . 100 LYS H . 6528 1 1292 . 1 1 100 100 LYS HA H 1 4.16 0.02 . 1 . . . . 100 LYS HA . 6528 1 1293 . 1 1 100 100 LYS HB2 H 1 1.92 0.02 . 1 . . . . 100 LYS HB2 . 6528 1 1294 . 1 1 100 100 LYS HB3 H 1 1.92 0.02 . 1 . . . . 100 LYS HB3 . 6528 1 1295 . 1 1 100 100 LYS HG2 H 1 1.34 0.02 . 1 . . . . 100 LYS HG2 . 6528 1 1296 . 1 1 100 100 LYS HG3 H 1 0.94 0.02 . 1 . . . . 100 LYS HG3 . 6528 1 1297 . 1 1 100 100 LYS HD2 H 1 1.65 0.02 . 1 . . . . 100 LYS HD2 . 6528 1 1298 . 1 1 100 100 LYS HD3 H 1 1.65 0.02 . 1 . . . . 100 LYS HD3 . 6528 1 1299 . 1 1 100 100 LYS HE2 H 1 2.93 0.02 . 1 . . . . 100 LYS HE2 . 6528 1 1300 . 1 1 100 100 LYS HE3 H 1 2.93 0.02 . 1 . . . . 100 LYS HE3 . 6528 1 1301 . 1 1 100 100 LYS C C 13 177.00 0.30 . 1 . . . . 100 LYS C . 6528 1 1302 . 1 1 100 100 LYS CA C 13 59.10 0.30 . 1 . . . . 100 LYS CA . 6528 1 1303 . 1 1 100 100 LYS CB C 13 32.10 0.30 . 1 . . . . 100 LYS CB . 6528 1 1304 . 1 1 100 100 LYS CG C 13 24.80 0.30 . 1 . . . . 100 LYS CG . 6528 1 1305 . 1 1 100 100 LYS CD C 13 29.00 0.30 . 1 . . . . 100 LYS CD . 6528 1 1306 . 1 1 100 100 LYS CE C 13 41.90 0.30 . 1 . . . . 100 LYS CE . 6528 1 1307 . 1 1 100 100 LYS N N 15 120.73 0.20 . 1 . . . . 100 LYS N . 6528 1 1308 . 1 1 101 101 ALA H H 1 8.02 0.02 . 1 . . . . 101 ALA H . 6528 1 1309 . 1 1 101 101 ALA HA H 1 4.17 0.02 . 1 . . . . 101 ALA HA . 6528 1 1310 . 1 1 101 101 ALA HB1 H 1 1.52 0.02 . 1 . . . . 101 ALA HB . 6528 1 1311 . 1 1 101 101 ALA HB2 H 1 1.52 0.02 . 1 . . . . 101 ALA HB . 6528 1 1312 . 1 1 101 101 ALA HB3 H 1 1.52 0.02 . 1 . . . . 101 ALA HB . 6528 1 1313 . 1 1 101 101 ALA C C 13 181.00 0.30 . 1 . . . . 101 ALA C . 6528 1 1314 . 1 1 101 101 ALA CA C 13 54.60 0.30 . 1 . . . . 101 ALA CA . 6528 1 1315 . 1 1 101 101 ALA CB C 13 17.81 0.30 . 1 . . . . 101 ALA CB . 6528 1 1316 . 1 1 101 101 ALA N N 15 122.90 0.20 . 1 . . . . 101 ALA N . 6528 1 1317 . 1 1 102 102 GLU H H 1 8.26 0.02 . 9 . . . . 102 GLU H . 6528 1 1318 . 1 1 102 102 GLU HA H 1 4.17 0.02 . 9 . . . . 102 GLU HA . 6528 1 1319 . 1 1 102 102 GLU HB2 H 1 1.88 0.02 . 9 . . . . 102 GLU HB2 . 6528 1 1320 . 1 1 102 102 GLU HB3 H 1 1.88 0.02 . 9 . . . . 102 GLU HB3 . 6528 1 1321 . 1 1 102 102 GLU HG2 H 1 2.49 0.02 . 9 . . . . 102 GLU HG2 . 6528 1 1322 . 1 1 102 102 GLU HG3 H 1 2.22 0.02 . 9 . . . . 102 GLU HG3 . 6528 1 1323 . 1 1 102 102 GLU C C 13 179.19 0.30 . 9 . . . . 102 GLU C . 6528 1 1324 . 1 1 102 102 GLU CA C 13 59.50 0.30 . 9 . . . . 102 GLU CA . 6528 1 1325 . 1 1 102 102 GLU CB C 13 32.00 0.30 . 9 . . . . 102 GLU CB . 6528 1 1326 . 1 1 102 102 GLU CG C 13 36.40 0.30 . 9 . . . . 102 GLU CG . 6528 1 1327 . 1 1 102 102 GLU N N 15 121.20 0.20 . 9 . . . . 102 GLU N . 6528 1 1328 . 1 1 103 103 GLU H H 1 7.97 0.02 . 9 . . . . 103 GLU H . 6528 1 1329 . 1 1 103 103 GLU HA H 1 4.09 0.02 . 9 . . . . 103 GLU HA . 6528 1 1330 . 1 1 103 103 GLU HB2 H 1 2.13 0.02 . 9 . . . . 103 GLU HB2 . 6528 1 1331 . 1 1 103 103 GLU HB3 H 1 2.05 0.02 . 9 . . . . 103 GLU HB3 . 6528 1 1332 . 1 1 103 103 GLU HG2 H 1 2.33 0.02 . 9 . . . . 103 GLU HG2 . 6528 1 1333 . 1 1 103 103 GLU HG3 H 1 2.33 0.02 . 9 . . . . 103 GLU HG3 . 6528 1 1334 . 1 1 103 103 GLU C C 13 179.24 0.30 . 9 . . . . 103 GLU C . 6528 1 1335 . 1 1 103 103 GLU CA C 13 59.00 0.30 . 9 . . . . 103 GLU CA . 6528 1 1336 . 1 1 103 103 GLU CB C 13 30.00 0.30 . 9 . . . . 103 GLU CB . 6528 1 1337 . 1 1 103 103 GLU CG C 13 36.00 0.30 . 9 . . . . 103 GLU CG . 6528 1 1338 . 1 1 103 103 GLU N N 15 122.90 0.20 . 9 . . . . 103 GLU N . 6528 1 1339 . 1 1 104 104 GLU H H 1 8.22 0.02 . 9 . . . . 104 GLU H . 6528 1 1340 . 1 1 104 104 GLU HA H 1 4.09 0.02 . 9 . . . . 104 GLU HA . 6528 1 1341 . 1 1 104 104 GLU HB2 H 1 2.08 0.02 . 9 . . . . 104 GLU HB2 . 6528 1 1342 . 1 1 104 104 GLU HB3 H 1 2.08 0.02 . 9 . . . . 104 GLU HB3 . 6528 1 1343 . 1 1 104 104 GLU HG2 H 1 2.46 0.02 . 9 . . . . 104 GLU HG2 . 6528 1 1344 . 1 1 104 104 GLU HG3 H 1 2.28 0.02 . 9 . . . . 104 GLU HG3 . 6528 1 1345 . 1 1 104 104 GLU C C 13 178.50 0.30 . 9 . . . . 104 GLU C . 6528 1 1346 . 1 1 104 104 GLU CA C 13 59.00 0.30 . 9 . . . . 104 GLU CA . 6528 1 1347 . 1 1 104 104 GLU CB C 13 29.20 0.30 . 9 . . . . 104 GLU CB . 6528 1 1348 . 1 1 104 104 GLU CG C 13 36.00 0.30 . 9 . . . . 104 GLU CG . 6528 1 1349 . 1 1 104 104 GLU N N 15 119.20 0.20 . 9 . . . . 104 GLU N . 6528 1 1350 . 1 1 105 105 ALA H H 1 7.81 0.02 . 9 . . . . 105 ALA H . 6528 1 1351 . 1 1 105 105 ALA HA H 1 4.20 0.02 . 9 . . . . 105 ALA HA . 6528 1 1352 . 1 1 105 105 ALA HB1 H 1 1.58 0.02 . 9 . . . . 105 ALA HB . 6528 1 1353 . 1 1 105 105 ALA HB2 H 1 1.58 0.02 . 9 . . . . 105 ALA HB . 6528 1 1354 . 1 1 105 105 ALA HB3 H 1 1.58 0.02 . 9 . . . . 105 ALA HB . 6528 1 1355 . 1 1 105 105 ALA C C 13 180.60 0.30 . 9 . . . . 105 ALA C . 6528 1 1356 . 1 1 105 105 ALA CA C 13 54.80 0.30 . 9 . . . . 105 ALA CA . 6528 1 1357 . 1 1 105 105 ALA CB C 13 17.26 0.30 . 9 . . . . 105 ALA CB . 6528 1 1358 . 1 1 105 105 ALA N N 15 123.42 0.20 . 9 . . . . 105 ALA N . 6528 1 1359 . 1 1 106 106 LYS H H 1 8.92 0.02 . 9 . . . . 106 LYS H . 6528 1 1360 . 1 1 106 106 LYS HA H 1 4.01 0.02 . 9 . . . . 106 LYS HA . 6528 1 1361 . 1 1 106 106 LYS HB2 H 1 1.97 0.02 . 9 . . . . 106 LYS HB2 . 6528 1 1362 . 1 1 106 106 LYS HB3 H 1 1.97 0.02 . 9 . . . . 106 LYS HB3 . 6528 1 1363 . 1 1 106 106 LYS HG2 H 1 1.63 0.02 . 9 . . . . 106 LYS HG2 . 6528 1 1364 . 1 1 106 106 LYS HG3 H 1 1.46 0.02 . 9 . . . . 106 LYS HG3 . 6528 1 1365 . 1 1 106 106 LYS HD2 H 1 1.73 0.02 . 9 . . . . 106 LYS HD2 . 6528 1 1366 . 1 1 106 106 LYS HD3 H 1 1.73 0.02 . 9 . . . . 106 LYS HD3 . 6528 1 1367 . 1 1 106 106 LYS HE2 H 1 2.79 0.02 . 9 . . . . 106 LYS HE2 . 6528 1 1368 . 1 1 106 106 LYS HE3 H 1 2.79 0.02 . 9 . . . . 106 LYS HE3 . 6528 1 1369 . 1 1 106 106 LYS C C 13 178.80 0.30 . 9 . . . . 106 LYS C . 6528 1 1370 . 1 1 106 106 LYS CA C 13 58.40 0.30 . 9 . . . . 106 LYS CA . 6528 1 1371 . 1 1 106 106 LYS CB C 13 32.50 0.30 . 9 . . . . 106 LYS CB . 6528 1 1372 . 1 1 106 106 LYS CG C 13 24.90 0.30 . 9 . . . . 106 LYS CG . 6528 1 1373 . 1 1 106 106 LYS CD C 13 29.20 0.30 . 9 . . . . 106 LYS CD . 6528 1 1374 . 1 1 106 106 LYS CE C 13 41.90 0.30 . 9 . . . . 106 LYS CE . 6528 1 1375 . 1 1 106 106 LYS N N 15 122.80 0.20 . 9 . . . . 106 LYS N . 6528 1 1376 . 1 1 107 107 ARG H H 1 7.97 0.02 . 9 . . . . 107 ARG H . 6528 1 1377 . 1 1 107 107 ARG HA H 1 4.12 0.02 . 9 . . . . 107 ARG HA . 6528 1 1378 . 1 1 107 107 ARG HB2 H 1 1.74 0.02 . 9 . . . . 107 ARG HB2 . 6528 1 1379 . 1 1 107 107 ARG HB3 H 1 2.05 0.02 . 9 . . . . 107 ARG HB3 . 6528 1 1380 . 1 1 107 107 ARG HG2 H 1 1.57 0.02 . 9 . . . . 107 ARG HG2 . 6528 1 1381 . 1 1 107 107 ARG HG3 H 1 1.58 0.02 . 9 . . . . 107 ARG HG3 . 6528 1 1382 . 1 1 107 107 ARG HD2 H 1 2.94 0.02 . 9 . . . . 107 ARG HD2 . 6528 1 1383 . 1 1 107 107 ARG HD3 H 1 2.94 0.02 . 9 . . . . 107 ARG HD3 . 6528 1 1384 . 1 1 107 107 ARG C C 13 178.90 0.30 . 9 . . . . 107 ARG C . 6528 1 1385 . 1 1 107 107 ARG CA C 13 58.70 0.30 . 9 . . . . 107 ARG CA . 6528 1 1386 . 1 1 107 107 ARG CB C 13 30.00 0.30 . 9 . . . . 107 ARG CB . 6528 1 1387 . 1 1 107 107 ARG CG C 13 27.10 0.30 . 9 . . . . 107 ARG CG . 6528 1 1388 . 1 1 107 107 ARG CD C 13 43.20 0.30 . 9 . . . . 107 ARG CD . 6528 1 1389 . 1 1 107 107 ARG N N 15 122.68 0.20 . 9 . . . . 107 ARG N . 6528 1 1390 . 1 1 108 108 LYS H H 1 8.23 0.02 . 9 . . . . 108 LYS H . 6528 1 1391 . 1 1 108 108 LYS HA H 1 3.97 0.02 . 9 . . . . 108 LYS HA . 6528 1 1392 . 1 1 108 108 LYS HB2 H 1 1.95 0.02 . 9 . . . . 108 LYS HB2 . 6528 1 1393 . 1 1 108 108 LYS HB3 H 1 1.95 0.02 . 9 . . . . 108 LYS HB3 . 6528 1 1394 . 1 1 108 108 LYS HG2 H 1 1.47 0.02 . 9 . . . . 108 LYS HG2 . 6528 1 1395 . 1 1 108 108 LYS HG3 H 1 1.47 0.02 . 9 . . . . 108 LYS HG3 . 6528 1 1396 . 1 1 108 108 LYS HD2 H 1 1.67 0.02 . 9 . . . . 108 LYS HD2 . 6528 1 1397 . 1 1 108 108 LYS HD3 H 1 1.67 0.02 . 9 . . . . 108 LYS HD3 . 6528 1 1398 . 1 1 108 108 LYS HE2 H 1 2.94 0.02 . 9 . . . . 108 LYS HE2 . 6528 1 1399 . 1 1 108 108 LYS HE3 H 1 2.94 0.02 . 9 . . . . 108 LYS HE3 . 6528 1 1400 . 1 1 108 108 LYS C C 13 178.30 0.30 . 9 . . . . 108 LYS C . 6528 1 1401 . 1 1 108 108 LYS CA C 13 58.50 0.30 . 9 . . . . 108 LYS CA . 6528 1 1402 . 1 1 108 108 LYS CB C 13 32.10 0.30 . 9 . . . . 108 LYS CB . 6528 1 1403 . 1 1 108 108 LYS CG C 13 24.80 0.30 . 9 . . . . 108 LYS CG . 6528 1 1404 . 1 1 108 108 LYS CD C 13 29.00 0.30 . 9 . . . . 108 LYS CD . 6528 1 1405 . 1 1 108 108 LYS CE C 13 41.90 0.30 . 9 . . . . 108 LYS CE . 6528 1 1406 . 1 1 108 108 LYS N N 15 121.40 0.20 . 9 . . . . 108 LYS N . 6528 1 1407 . 1 1 109 109 ALA H H 1 7.94 0.02 . 1 . . . . 109 ALA H . 6528 1 1408 . 1 1 109 109 ALA HA H 1 4.22 0.02 . 1 . . . . 109 ALA HA . 6528 1 1409 . 1 1 109 109 ALA HB1 H 1 1.47 0.02 . 1 . . . . 109 ALA HB . 6528 1 1410 . 1 1 109 109 ALA HB2 H 1 1.47 0.02 . 1 . . . . 109 ALA HB . 6528 1 1411 . 1 1 109 109 ALA HB3 H 1 1.47 0.02 . 1 . . . . 109 ALA HB . 6528 1 1412 . 1 1 109 109 ALA C C 13 179.00 0.30 . 1 . . . . 109 ALA C . 6528 1 1413 . 1 1 109 109 ALA CA C 13 53.70 0.30 . 1 . . . . 109 ALA CA . 6528 1 1414 . 1 1 109 109 ALA CB C 13 18.01 0.30 . 1 . . . . 109 ALA CB . 6528 1 1415 . 1 1 109 109 ALA N N 15 123.03 0.20 . 1 . . . . 109 ALA N . 6528 1 1416 . 1 1 110 110 ALA H H 1 7.88 0.02 . 1 . . . . 110 ALA H . 6528 1 1417 . 1 1 110 110 ALA HA H 1 4.28 0.02 . 1 . . . . 110 ALA HA . 6528 1 1418 . 1 1 110 110 ALA HB1 H 1 1.50 0.02 . 1 . . . . 110 ALA HB . 6528 1 1419 . 1 1 110 110 ALA HB2 H 1 1.50 0.02 . 1 . . . . 110 ALA HB . 6528 1 1420 . 1 1 110 110 ALA HB3 H 1 1.50 0.02 . 1 . . . . 110 ALA HB . 6528 1 1421 . 1 1 110 110 ALA C C 13 179.30 0.30 . 1 . . . . 110 ALA C . 6528 1 1422 . 1 1 110 110 ALA CA C 13 53.60 0.30 . 1 . . . . 110 ALA CA . 6528 1 1423 . 1 1 110 110 ALA CB C 13 18.32 0.30 . 1 . . . . 110 ALA CB . 6528 1 1424 . 1 1 110 110 ALA N N 15 121.61 0.20 . 1 . . . . 110 ALA N . 6528 1 1425 . 1 1 111 111 GLU H H 1 8.02 0.02 . 1 . . . . 111 GLU H . 6528 1 1426 . 1 1 111 111 GLU HA H 1 4.20 0.02 . 1 . . . . 111 GLU HA . 6528 1 1427 . 1 1 111 111 GLU HB2 H 1 2.09 0.02 . 1 . . . . 111 GLU HB2 . 6528 1 1428 . 1 1 111 111 GLU HB3 H 1 2.09 0.02 . 1 . . . . 111 GLU HB3 . 6528 1 1429 . 1 1 111 111 GLU HG2 H 1 2.43 0.02 . 1 . . . . 111 GLU HG2 . 6528 1 1430 . 1 1 111 111 GLU HG3 H 1 2.34 0.02 . 1 . . . . 111 GLU HG3 . 6528 1 1431 . 1 1 111 111 GLU C C 13 177.70 0.30 . 1 . . . . 111 GLU C . 6528 1 1432 . 1 1 111 111 GLU CA C 13 57.50 0.30 . 1 . . . . 111 GLU CA . 6528 1 1433 . 1 1 111 111 GLU CB C 13 29.80 0.30 . 1 . . . . 111 GLU CB . 6528 1 1434 . 1 1 111 111 GLU CG C 13 35.60 0.30 . 1 . . . . 111 GLU CG . 6528 1 1435 . 1 1 111 111 GLU CD C 13 174.00 0.30 . 9 . . . . 111 GLU CD . 6528 1 1436 . 1 1 111 111 GLU N N 15 119.56 0.20 . 1 . . . . 111 GLU N . 6528 1 1437 . 1 1 112 112 GLU H H 1 8.17 0.02 . 1 . . . . 112 GLU H . 6528 1 1438 . 1 1 112 112 GLU HA H 1 4.20 0.02 . 1 . . . . 112 GLU HA . 6528 1 1439 . 1 1 112 112 GLU HB2 H 1 2.07 0.02 . 1 . . . . 112 GLU HB2 . 6528 1 1440 . 1 1 112 112 GLU HB3 H 1 2.07 0.02 . 1 . . . . 112 GLU HB3 . 6528 1 1441 . 1 1 112 112 GLU HG2 H 1 2.32 0.02 . 1 . . . . 112 GLU HG2 . 6528 1 1442 . 1 1 112 112 GLU HG3 H 1 2.40 0.02 . 1 . . . . 112 GLU HG3 . 6528 1 1443 . 1 1 112 112 GLU C C 13 177.00 0.30 . 1 . . . . 112 GLU C . 6528 1 1444 . 1 1 112 112 GLU CA C 13 57.10 0.30 . 1 . . . . 112 GLU CA . 6528 1 1445 . 1 1 112 112 GLU CB C 13 29.30 0.30 . 1 . . . . 112 GLU CB . 6528 1 1446 . 1 1 112 112 GLU CG C 13 35.50 0.30 . 1 . . . . 112 GLU CG . 6528 1 1447 . 1 1 112 112 GLU CD C 13 174.00 0.30 . 9 . . . . 112 GLU CD . 6528 1 1448 . 1 1 112 112 GLU N N 15 121.00 0.20 . 1 . . . . 112 GLU N . 6528 1 1449 . 1 1 113 113 ASP H H 1 8.19 0.02 . 1 . . . . 113 ASP H . 6528 1 1450 . 1 1 113 113 ASP HA H 1 4.55 0.02 . 1 . . . . 113 ASP HA . 6528 1 1451 . 1 1 113 113 ASP HB2 H 1 2.71 0.02 . 1 . . . . 113 ASP HB2 . 6528 1 1452 . 1 1 113 113 ASP HB3 H 1 2.71 0.02 . 1 . . . . 113 ASP HB3 . 6528 1 1453 . 1 1 113 113 ASP C C 13 176.56 0.30 . 1 . . . . 113 ASP C . 6528 1 1454 . 1 1 113 113 ASP CA C 13 54.87 0.30 . 1 . . . . 113 ASP CA . 6528 1 1455 . 1 1 113 113 ASP CB C 13 40.50 0.30 . 1 . . . . 113 ASP CB . 6528 1 1456 . 1 1 113 113 ASP CG C 13 177.84 0.30 . 1 . . . . 113 ASP CG . 6528 1 1457 . 1 1 113 113 ASP N N 15 121.20 0.20 . 1 . . . . 113 ASP N . 6528 1 1458 . 1 1 114 114 LYS H H 1 7.91 0.02 . 1 . . . . 114 LYS H . 6528 1 1459 . 1 1 114 114 LYS HA H 1 4.28 0.02 . 1 . . . . 114 LYS HA . 6528 1 1460 . 1 1 114 114 LYS HB2 H 1 1.87 0.02 . 1 . . . . 114 LYS HB2 . 6528 1 1461 . 1 1 114 114 LYS HB3 H 1 1.82 0.02 . 1 . . . . 114 LYS HB3 . 6528 1 1462 . 1 1 114 114 LYS HG2 H 1 1.44 0.02 . 1 . . . . 114 LYS HG2 . 6528 1 1463 . 1 1 114 114 LYS HG3 H 1 1.44 0.02 . 1 . . . . 114 LYS HG3 . 6528 1 1464 . 1 1 114 114 LYS HD2 H 1 1.70 0.02 . 1 . . . . 114 LYS HD2 . 6528 1 1465 . 1 1 114 114 LYS HD3 H 1 1.70 0.02 . 1 . . . . 114 LYS HD3 . 6528 1 1466 . 1 1 114 114 LYS HE2 H 1 3.00 0.02 . 1 . . . . 114 LYS HE2 . 6528 1 1467 . 1 1 114 114 LYS HE3 H 1 3.00 0.02 . 1 . . . . 114 LYS HE3 . 6528 1 1468 . 1 1 114 114 LYS C C 13 177.20 0.30 . 1 . . . . 114 LYS C . 6528 1 1469 . 1 1 114 114 LYS CA C 13 56.90 0.30 . 1 . . . . 114 LYS CA . 6528 1 1470 . 1 1 114 114 LYS CB C 13 32.80 0.30 . 1 . . . . 114 LYS CB . 6528 1 1471 . 1 1 114 114 LYS CG C 13 24.60 0.30 . 1 . . . . 114 LYS CG . 6528 1 1472 . 1 1 114 114 LYS CD C 13 28.90 0.30 . 1 . . . . 114 LYS CD . 6528 1 1473 . 1 1 114 114 LYS CE C 13 42.00 0.30 . 1 . . . . 114 LYS CE . 6528 1 1474 . 1 1 114 114 LYS N N 15 121.48 0.20 . 1 . . . . 114 LYS N . 6528 1 1475 . 1 1 115 115 VAL H H 1 7.96 0.02 . 1 . . . . 115 VAL H . 6528 1 1476 . 1 1 115 115 VAL HA H 1 4.04 0.02 . 1 . . . . 115 VAL HA . 6528 1 1477 . 1 1 115 115 VAL HB H 1 2.13 0.02 . 1 . . . . 115 VAL HB . 6528 1 1478 . 1 1 115 115 VAL HG11 H 1 0.97 0.02 . 1 . . . . 115 VAL HG1 . 6528 1 1479 . 1 1 115 115 VAL HG12 H 1 0.97 0.02 . 1 . . . . 115 VAL HG1 . 6528 1 1480 . 1 1 115 115 VAL HG13 H 1 0.97 0.02 . 1 . . . . 115 VAL HG1 . 6528 1 1481 . 1 1 115 115 VAL HG21 H 1 0.92 0.02 . 1 . . . . 115 VAL HG2 . 6528 1 1482 . 1 1 115 115 VAL HG22 H 1 0.92 0.02 . 1 . . . . 115 VAL HG2 . 6528 1 1483 . 1 1 115 115 VAL HG23 H 1 0.92 0.02 . 1 . . . . 115 VAL HG2 . 6528 1 1484 . 1 1 115 115 VAL C C 13 176.40 0.30 . 1 . . . . 115 VAL C . 6528 1 1485 . 1 1 115 115 VAL CA C 13 62.42 0.30 . 1 . . . . 115 VAL CA . 6528 1 1486 . 1 1 115 115 VAL CB C 13 31.94 0.30 . 1 . . . . 115 VAL CB . 6528 1 1487 . 1 1 115 115 VAL CG1 C 13 20.56 0.30 . 1 . . . . 115 VAL CG1 . 6528 1 1488 . 1 1 115 115 VAL CG2 C 13 20.56 0.30 . 1 . . . . 115 VAL CG2 . 6528 1 1489 . 1 1 115 115 VAL N N 15 120.70 0.20 . 1 . . . . 115 VAL N . 6528 1 1490 . 1 1 116 116 LYS H H 1 8.14 0.02 . 1 . . . . 116 LYS H . 6528 1 1491 . 1 1 116 116 LYS HA H 1 4.28 0.02 . 1 . . . . 116 LYS HA . 6528 1 1492 . 1 1 116 116 LYS HB2 H 1 1.76 0.02 . 1 . . . . 116 LYS HB2 . 6528 1 1493 . 1 1 116 116 LYS HB3 H 1 1.84 0.02 . 1 . . . . 116 LYS HB3 . 6528 1 1494 . 1 1 116 116 LYS HG2 H 1 1.47 0.02 . 1 . . . . 116 LYS HG2 . 6528 1 1495 . 1 1 116 116 LYS HG3 H 1 1.44 0.02 . 1 . . . . 116 LYS HG3 . 6528 1 1496 . 1 1 116 116 LYS HD2 H 1 1.70 0.02 . 1 . . . . 116 LYS HD2 . 6528 1 1497 . 1 1 116 116 LYS HD3 H 1 1.70 0.02 . 1 . . . . 116 LYS HD3 . 6528 1 1498 . 1 1 116 116 LYS HE2 H 1 3.00 0.02 . 1 . . . . 116 LYS HE2 . 6528 1 1499 . 1 1 116 116 LYS HE3 H 1 3.00 0.02 . 1 . . . . 116 LYS HE3 . 6528 1 1500 . 1 1 116 116 LYS C C 13 176.50 0.30 . 1 . . . . 116 LYS C . 6528 1 1501 . 1 1 116 116 LYS CA C 13 56.30 0.30 . 1 . . . . 116 LYS CA . 6528 1 1502 . 1 1 116 116 LYS CB C 13 33.00 0.30 . 1 . . . . 116 LYS CB . 6528 1 1503 . 1 1 116 116 LYS CG C 13 24.70 0.30 . 1 . . . . 116 LYS CG . 6528 1 1504 . 1 1 116 116 LYS CD C 13 28.90 0.30 . 1 . . . . 116 LYS CD . 6528 1 1505 . 1 1 116 116 LYS CE C 13 42.10 0.30 . 1 . . . . 116 LYS CE . 6528 1 1506 . 1 1 116 116 LYS N N 15 125.25 0.20 . 1 . . . . 116 LYS N . 6528 1 1507 . 1 1 117 117 GLU H H 1 8.31 0.02 . 1 . . . . 117 GLU H . 6528 1 1508 . 1 1 117 117 GLU HA H 1 4.24 0.02 . 1 . . . . 117 GLU HA . 6528 1 1509 . 1 1 117 117 GLU HB2 H 1 2.03 0.02 . 1 . . . . 117 GLU HB2 . 6528 1 1510 . 1 1 117 117 GLU HB3 H 1 1.94 0.02 . 1 . . . . 117 GLU HB3 . 6528 1 1511 . 1 1 117 117 GLU HG2 H 1 2.28 0.02 . 1 . . . . 117 GLU HG2 . 6528 1 1512 . 1 1 117 117 GLU HG3 H 1 2.31 0.02 . 1 . . . . 117 GLU HG3 . 6528 1 1513 . 1 1 117 117 GLU C C 13 175.90 0.30 . 1 . . . . 117 GLU C . 6528 1 1514 . 1 1 117 117 GLU CA C 13 56.50 0.30 . 1 . . . . 117 GLU CA . 6528 1 1515 . 1 1 117 117 GLU CB C 13 30.10 0.30 . 1 . . . . 117 GLU CB . 6528 1 1516 . 1 1 117 117 GLU CG C 13 35.50 0.30 . 1 . . . . 117 GLU CG . 6528 1 1517 . 1 1 117 117 GLU CD C 13 174.00 0.30 . 9 . . . . 117 GLU CD . 6528 1 1518 . 1 1 117 117 GLU N N 15 122.90 0.20 . 1 . . . . 117 GLU N . 6528 1 1519 . 1 1 118 118 LYS H H 1 8.24 0.02 . 1 . . . . 118 LYS H . 6528 1 1520 . 1 1 118 118 LYS HA H 1 4.62 0.02 . 1 . . . . 118 LYS HA . 6528 1 1521 . 1 1 118 118 LYS HB2 H 1 1.86 0.02 . 1 . . . . 118 LYS HB2 . 6528 1 1522 . 1 1 118 118 LYS HB3 H 1 1.74 0.02 . 1 . . . . 118 LYS HB3 . 6528 1 1523 . 1 1 118 118 LYS HG2 H 1 1.47 0.02 . 1 . . . . 118 LYS HG2 . 6528 1 1524 . 1 1 118 118 LYS HG3 H 1 1.47 0.02 . 1 . . . . 118 LYS HG3 . 6528 1 1525 . 1 1 118 118 LYS HD2 H 1 1.70 0.02 . 1 . . . . 118 LYS HD2 . 6528 1 1526 . 1 1 118 118 LYS HE2 H 1 2.99 0.02 . 1 . . . . 118 LYS HE2 . 6528 1 1527 . 1 1 118 118 LYS HE3 H 1 2.99 0.02 . 1 . . . . 118 LYS HE3 . 6528 1 1528 . 1 1 118 118 LYS C C 13 173.50 0.30 . 1 . . . . 118 LYS C . 6528 1 1529 . 1 1 118 118 LYS CA C 13 53.90 0.30 . 1 . . . . 118 LYS CA . 6528 1 1530 . 1 1 118 118 LYS CB C 13 32.50 0.30 . 1 . . . . 118 LYS CB . 6528 1 1531 . 1 1 118 118 LYS CG C 13 24.60 0.30 . 1 . . . . 118 LYS CG . 6528 1 1532 . 1 1 118 118 LYS CD C 13 28.81 0.30 . 1 . . . . 118 LYS CD . 6528 1 1533 . 1 1 118 118 LYS CE C 13 42.35 0.30 . 1 . . . . 118 LYS CE . 6528 1 1534 . 1 1 118 118 LYS N N 15 124.70 0.20 . 1 . . . . 118 LYS N . 6528 1 1535 . 1 1 119 119 PRO HB2 H 1 1.93 0.02 . 9 . . . . 119 PRO HB2 . 6528 1 1536 . 1 1 119 119 PRO HG2 H 1 1.90 0.02 . 9 . . . . 119 PRO HG2 . 6528 1 1537 . 1 1 119 119 PRO HG3 H 1 1.03 0.02 . 9 . . . . 119 PRO HG3 . 6528 1 1538 . 1 1 119 119 PRO HD2 H 1 3.79 0.02 . 9 . . . . 119 PRO HD2 . 6528 1 1539 . 1 1 119 119 PRO HD3 H 1 3.24 0.02 . 9 . . . . 119 PRO HD3 . 6528 1 1540 . 1 1 119 119 PRO C C 13 176.71 0.30 . 9 . . . . 119 PRO C . 6528 1 1541 . 1 1 119 119 PRO CA C 13 64.53 0.30 . 9 . . . . 119 PRO CA . 6528 1 1542 . 1 1 119 119 PRO CB C 13 30.98 0.30 . 9 . . . . 119 PRO CB . 6528 1 1543 . 1 1 119 119 PRO CG C 13 27.62 0.30 . 9 . . . . 119 PRO CG . 6528 1 1544 . 1 1 119 119 PRO CD C 13 51.20 0.30 . 9 . . . . 119 PRO CD . 6528 1 stop_ save_