data_5763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5763 _Entry.Title ; 1H, 15N and 13C resonance assignments of the hypothetical protein SAV1595 from Staphylococcus aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-07 _Entry.Accession_date 2003-04-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dingjiang Liu . . . 5763 2 Daniel Wyss . . . 5763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 682 5763 '13C chemical shifts' 313 5763 '15N chemical shifts' 102 5763 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 . . 2004-06-25 . update BMRB 'Updated Citation' 5763 2 . . 2004-06-25 . original author 'Original Release' 5763 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213438 _Citation.Full_citation . _Citation.Title ; Letter to the editor: Solution structure of the hypothetical protein SAV1595 from Staphylococcus aureus, a Putative RNA Binding Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 391 _Citation.Page_last 394 _Citation.Year 2004 _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 Dingjiang Liu . . . 5763 1 2 Daniel Wyss . F. . 5763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_na _Assembly.Sf_category assembly _Assembly.Sf_framecode na _Assembly.Entry_ID 5763 _Assembly.ID 1 _Assembly.Name SAV1595 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5763 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 'sav1595 monomer' 1 $Sav1595 . . . native . . . . . 5763 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SAV1595 system 5763 1 SAV1595 abbreviation 5763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sav1595 _Entity.Sf_category entity _Entity.Sf_framecode Sav1595 _Entity.Entry_ID 5763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SAV1595 _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 ; MLTGKQKRYLRSLAHNIDPI FQIGKGGINENMIKQIDDTL ENRELIKVHVLQNNFDDKKE LAETLSEATRSELVQVIGSM IVIYRESKENKEIELP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RQ8 . "Solution Structure Of The Hypothetical Protein Sav1595 From Staphylococcus Aureus, A Putative Rna Binding Protein" . . . . . 100.00 104 100.00 100.00 2.36e-61 . . . . 5763 1 2 no DBJ BAB42687 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 3 no DBJ BAB57757 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 4 no DBJ BAB95411 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 5 no DBJ BAF67769 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 96 97.92 98.96 7.39e-60 . . . . 5763 1 6 no DBJ BAF78465 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 7 no EMBL CAG40666 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 96 98.96 98.96 2.11e-60 . . . . 5763 1 8 no EMBL CAG43333 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 9 no EMBL CAI81156 . "conserved hypothetical protein [Staphylococcus aureus RF122]" . . . . . 100.00 96 98.96 100.00 9.52e-61 . . . . 5763 1 10 no EMBL CAQ50084 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 96 98.96 100.00 8.44e-61 . . . . 5763 1 11 no EMBL CBI49468 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus TW20]" . . . . . 100.00 96 97.92 98.96 7.39e-60 . . . . 5763 1 12 no GB AAW38267 . "conserved hypothetical protein TIGR00253 [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 96 97.92 98.96 7.39e-60 . . . . 5763 1 13 no GB ABD22285 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 96 97.92 98.96 7.39e-60 . . . . 5763 1 14 no GB ABD30772 . "conserved hypothetical protein [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 96 97.92 98.96 7.39e-60 . . . . 5763 1 15 no GB ABQ49445 . "protein of unknown function UPF0044 [Staphylococcus aureus subsp. aureus JH9]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 16 no GB ABR52535 . "protein of unknown function UPF0044 [Staphylococcus aureus subsp. aureus JH1]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 17 no REF NP_372119 . "hypothetical protein SAV1595 [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 18 no REF NP_374708 . "hypothetical protein SA1423 [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 19 no REF NP_646363 . "hypothetical protein MW1546 [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 96 100.00 100.00 2.46e-61 . . . . 5763 1 20 no REF WP_000955229 . "RNA-binding protein [Staphylococcus aureus]" . . . . . 100.00 96 97.92 100.00 1.68e-60 . . . . 5763 1 21 no REF WP_000955231 . "RNA-binding protein [Staphylococcus aureus]" . . . . . 100.00 96 97.92 98.96 7.39e-60 . . . . 5763 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SAV1595 common 5763 1 Sav1595 abbreviation 5763 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5763 1 2 . LEU . 5763 1 3 . THR . 5763 1 4 . GLY . 5763 1 5 . LYS . 5763 1 6 . GLN . 5763 1 7 . LYS . 5763 1 8 . ARG . 5763 1 9 . TYR . 5763 1 10 . LEU . 5763 1 11 . ARG . 5763 1 12 . SER . 5763 1 13 . LEU . 5763 1 14 . ALA . 5763 1 15 . HIS . 5763 1 16 . ASN . 5763 1 17 . ILE . 5763 1 18 . ASP . 5763 1 19 . PRO . 5763 1 20 . ILE . 5763 1 21 . PHE . 5763 1 22 . GLN . 5763 1 23 . ILE . 5763 1 24 . GLY . 5763 1 25 . LYS . 5763 1 26 . GLY . 5763 1 27 . GLY . 5763 1 28 . ILE . 5763 1 29 . ASN . 5763 1 30 . GLU . 5763 1 31 . ASN . 5763 1 32 . MET . 5763 1 33 . ILE . 5763 1 34 . LYS . 5763 1 35 . GLN . 5763 1 36 . ILE . 5763 1 37 . ASP . 5763 1 38 . ASP . 5763 1 39 . THR . 5763 1 40 . LEU . 5763 1 41 . GLU . 5763 1 42 . ASN . 5763 1 43 . ARG . 5763 1 44 . GLU . 5763 1 45 . LEU . 5763 1 46 . ILE . 5763 1 47 . LYS . 5763 1 48 . VAL . 5763 1 49 . HIS . 5763 1 50 . VAL . 5763 1 51 . LEU . 5763 1 52 . GLN . 5763 1 53 . ASN . 5763 1 54 . ASN . 5763 1 55 . PHE . 5763 1 56 . ASP . 5763 1 57 . ASP . 5763 1 58 . LYS . 5763 1 59 . LYS . 5763 1 60 . GLU . 5763 1 61 . LEU . 5763 1 62 . ALA . 5763 1 63 . GLU . 5763 1 64 . THR . 5763 1 65 . LEU . 5763 1 66 . SER . 5763 1 67 . GLU . 5763 1 68 . ALA . 5763 1 69 . THR . 5763 1 70 . ARG . 5763 1 71 . SER . 5763 1 72 . GLU . 5763 1 73 . LEU . 5763 1 74 . VAL . 5763 1 75 . GLN . 5763 1 76 . VAL . 5763 1 77 . ILE . 5763 1 78 . GLY . 5763 1 79 . SER . 5763 1 80 . MET . 5763 1 81 . ILE . 5763 1 82 . VAL . 5763 1 83 . ILE . 5763 1 84 . TYR . 5763 1 85 . ARG . 5763 1 86 . GLU . 5763 1 87 . SER . 5763 1 88 . LYS . 5763 1 89 . GLU . 5763 1 90 . ASN . 5763 1 91 . LYS . 5763 1 92 . GLU . 5763 1 93 . ILE . 5763 1 94 . GLU . 5763 1 95 . LEU . 5763 1 96 . PRO . 5763 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5763 1 . LEU 2 2 5763 1 . THR 3 3 5763 1 . GLY 4 4 5763 1 . LYS 5 5 5763 1 . GLN 6 6 5763 1 . LYS 7 7 5763 1 . ARG 8 8 5763 1 . TYR 9 9 5763 1 . LEU 10 10 5763 1 . ARG 11 11 5763 1 . SER 12 12 5763 1 . LEU 13 13 5763 1 . ALA 14 14 5763 1 . HIS 15 15 5763 1 . ASN 16 16 5763 1 . ILE 17 17 5763 1 . ASP 18 18 5763 1 . PRO 19 19 5763 1 . ILE 20 20 5763 1 . PHE 21 21 5763 1 . GLN 22 22 5763 1 . ILE 23 23 5763 1 . GLY 24 24 5763 1 . LYS 25 25 5763 1 . GLY 26 26 5763 1 . GLY 27 27 5763 1 . ILE 28 28 5763 1 . ASN 29 29 5763 1 . GLU 30 30 5763 1 . ASN 31 31 5763 1 . MET 32 32 5763 1 . ILE 33 33 5763 1 . LYS 34 34 5763 1 . GLN 35 35 5763 1 . ILE 36 36 5763 1 . ASP 37 37 5763 1 . ASP 38 38 5763 1 . THR 39 39 5763 1 . LEU 40 40 5763 1 . GLU 41 41 5763 1 . ASN 42 42 5763 1 . ARG 43 43 5763 1 . GLU 44 44 5763 1 . LEU 45 45 5763 1 . ILE 46 46 5763 1 . LYS 47 47 5763 1 . VAL 48 48 5763 1 . HIS 49 49 5763 1 . VAL 50 50 5763 1 . LEU 51 51 5763 1 . GLN 52 52 5763 1 . ASN 53 53 5763 1 . ASN 54 54 5763 1 . PHE 55 55 5763 1 . ASP 56 56 5763 1 . ASP 57 57 5763 1 . LYS 58 58 5763 1 . LYS 59 59 5763 1 . GLU 60 60 5763 1 . LEU 61 61 5763 1 . ALA 62 62 5763 1 . GLU 63 63 5763 1 . THR 64 64 5763 1 . LEU 65 65 5763 1 . SER 66 66 5763 1 . GLU 67 67 5763 1 . ALA 68 68 5763 1 . THR 69 69 5763 1 . ARG 70 70 5763 1 . SER 71 71 5763 1 . GLU 72 72 5763 1 . LEU 73 73 5763 1 . VAL 74 74 5763 1 . GLN 75 75 5763 1 . VAL 76 76 5763 1 . ILE 77 77 5763 1 . GLY 78 78 5763 1 . SER 79 79 5763 1 . MET 80 80 5763 1 . ILE 81 81 5763 1 . VAL 82 82 5763 1 . ILE 83 83 5763 1 . TYR 84 84 5763 1 . ARG 85 85 5763 1 . GLU 86 86 5763 1 . SER 87 87 5763 1 . LYS 88 88 5763 1 . GLU 89 89 5763 1 . ASN 90 90 5763 1 . LYS 91 91 5763 1 . GLU 92 92 5763 1 . ILE 93 93 5763 1 . GLU 94 94 5763 1 . LEU 95 95 5763 1 . PRO 96 96 5763 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 5763 _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 $Sav1595 . 1280 . . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Eubacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 5763 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 5763 _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 $Sav1595 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5763 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SAV1595 '[U-13C; U-15N]' . . 1 $Sav1595 . . . 0.3 1 mM . . . . 5763 1 2 KiPO4 . . . . . . . 0.075 . . M . . . . 5763 1 stop_ save_ ####################### # Sample conditions # ####################### save_condi_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condi_1 _Sample_condition_list.Entry_ID 5763 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 na 5763 1 temperature 298 1 K 5763 1 'ionic strength' 0.45 0.05 M 5763 1 pressure 1 . atm 5763 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5763 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5763 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5763 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5763 _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 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5763 1 2 CACB(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5763 1 3 '15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5763 1 4 '15N-edited TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5763 1 5 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5763 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5763 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5763 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CACB(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5763 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N-edited NOESY-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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5763 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '15N-edited TOCSY-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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5763 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5763 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5763 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5763 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5763 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condi_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HNCACB 1 $sample1 . 5763 1 2 CACB(CO)NH 1 $sample1 . 5763 1 3 '15N-edited NOESY-HSQC' 1 $sample1 . 5763 1 4 '15N-edited TOCSY-HSQC' 1 $sample1 . 5763 1 5 HCCH-TOCSY 1 $sample1 . 5763 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.650 0.2 . . . . . . . . . . 5763 1 2 . 1 1 1 1 MET HA H 1 4.200 0.02 . . . . . . . . . . 5763 1 3 . 1 1 1 1 MET CB C 13 33.270 0.2 . . . . . . . . . . 5763 1 4 . 1 1 1 1 MET HB2 H 1 2.110 0.02 . . . . . . . . . . 5763 1 5 . 1 1 1 1 MET HB3 H 1 2.550 0.02 . . . . . . . . . . 5763 1 6 . 1 1 1 1 MET CE C 13 16.600 0.2 . . . . . . . . . . 5763 1 7 . 1 1 1 1 MET HE1 H 1 2.040 0.02 . . . . . . . . . . 5763 1 8 . 1 1 1 1 MET HE2 H 1 2.040 0.02 . . . . . . . . . . 5763 1 9 . 1 1 1 1 MET HE3 H 1 2.040 0.02 . . . . . . . . . . 5763 1 10 . 1 1 2 2 LEU N N 15 125.503 0.2 . . . . . . . . . . 5763 1 11 . 1 1 2 2 LEU H H 1 9.009 0.02 . . . . . . . . . . 5763 1 12 . 1 1 2 2 LEU CA C 13 53.760 0.2 . . . . . . . . . . 5763 1 13 . 1 1 2 2 LEU HA H 1 4.725 0.02 . . . . . . . . . . 5763 1 14 . 1 1 2 2 LEU CB C 13 44.300 0.2 . . . . . . . . . . 5763 1 15 . 1 1 2 2 LEU HB2 H 1 1.620 0.02 . . . . . . . . . . 5763 1 16 . 1 1 2 2 LEU HB3 H 1 1.350 0.02 . . . . . . . . . . 5763 1 17 . 1 1 2 2 LEU CG C 13 26.120 0.2 . . . . . . . . . . 5763 1 18 . 1 1 2 2 LEU HG H 1 1.710 0.02 . . . . . . . . . . 5763 1 19 . 1 1 2 2 LEU CD1 C 13 27.490 0.2 . . . . . . . . . . 5763 1 20 . 1 1 2 2 LEU HD11 H 1 0.650 0.02 . . . . . . . . . . 5763 1 21 . 1 1 2 2 LEU HD12 H 1 0.650 0.02 . . . . . . . . . . 5763 1 22 . 1 1 2 2 LEU HD13 H 1 0.650 0.02 . . . . . . . . . . 5763 1 23 . 1 1 2 2 LEU CD2 C 13 23.600 0.2 . . . . . . . . . . 5763 1 24 . 1 1 2 2 LEU HD21 H 1 0.700 0.02 . . . . . . . . . . 5763 1 25 . 1 1 2 2 LEU HD22 H 1 0.700 0.02 . . . . . . . . . . 5763 1 26 . 1 1 2 2 LEU HD23 H 1 0.700 0.02 . . . . . . . . . . 5763 1 27 . 1 1 3 3 THR N N 15 113.127 0.2 . . . . . . . . . . 5763 1 28 . 1 1 3 3 THR H H 1 8.321 0.02 . . . . . . . . . . 5763 1 29 . 1 1 3 3 THR CA C 13 60.475 0.2 . . . . . . . . . . 5763 1 30 . 1 1 3 3 THR HA H 1 4.456 0.02 . . . . . . . . . . 5763 1 31 . 1 1 3 3 THR CB C 13 69.804 0.2 . . . . . . . . . . 5763 1 32 . 1 1 3 3 THR HB H 1 4.660 0.02 . . . . . . . . . . 5763 1 33 . 1 1 3 3 THR CG2 C 13 21.480 0.2 . . . . . . . . . . 5763 1 34 . 1 1 3 3 THR HG21 H 1 1.190 0.02 . . . . . . . . . . 5763 1 35 . 1 1 3 3 THR HG22 H 1 1.190 0.02 . . . . . . . . . . 5763 1 36 . 1 1 3 3 THR HG23 H 1 1.190 0.02 . . . . . . . . . . 5763 1 37 . 1 1 4 4 GLY N N 15 110.118 0.2 . . . . . . . . . . 5763 1 38 . 1 1 4 4 GLY H H 1 9.120 0.02 . . . . . . . . . . 5763 1 39 . 1 1 4 4 GLY CA C 13 47.600 0.2 . . . . . . . . . . 5763 1 40 . 1 1 4 4 GLY HA2 H 1 3.680 0.02 . . . . . . . . . . 5763 1 41 . 1 1 4 4 GLY HA3 H 1 4.030 0.02 . . . . . . . . . . 5763 1 42 . 1 1 5 5 LYS N N 15 122.114 0.2 . . . . . . . . . . 5763 1 43 . 1 1 5 5 LYS H H 1 8.672 0.02 . . . . . . . . . . 5763 1 44 . 1 1 5 5 LYS CA C 13 59.170 0.2 . . . . . . . . . . 5763 1 45 . 1 1 5 5 LYS HA H 1 3.937 0.02 . . . . . . . . . . 5763 1 46 . 1 1 5 5 LYS CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 47 . 1 1 5 5 LYS HB2 H 1 1.790 0.02 . . . . . . . . . . 5763 1 48 . 1 1 5 5 LYS HB3 H 1 1.640 0.02 . . . . . . . . . . 5763 1 49 . 1 1 5 5 LYS CG C 13 25.490 0.2 . . . . . . . . . . 5763 1 50 . 1 1 5 5 LYS HG2 H 1 1.450 0.02 . . . . . . . . . . 5763 1 51 . 1 1 5 5 LYS HG3 H 1 1.230 0.02 . . . . . . . . . . 5763 1 52 . 1 1 5 5 LYS CD C 13 28.760 0.2 . . . . . . . . . . 5763 1 53 . 1 1 5 5 LYS HD2 H 1 1.570 0.02 . . . . . . . . . . 5763 1 54 . 1 1 5 5 LYS HD3 H 1 1.570 0.02 . . . . . . . . . . 5763 1 55 . 1 1 5 5 LYS CE C 13 41.400 0.2 . . . . . . . . . . 5763 1 56 . 1 1 5 5 LYS HE2 H 1 2.870 0.02 . . . . . . . . . . 5763 1 57 . 1 1 5 5 LYS HE3 H 1 2.870 0.02 . . . . . . . . . . 5763 1 58 . 1 1 6 6 GLN N N 15 119.513 0.2 . . . . . . . . . . 5763 1 59 . 1 1 6 6 GLN H H 1 7.616 0.02 . . . . . . . . . . 5763 1 60 . 1 1 6 6 GLN CA C 13 58.800 0.2 . . . . . . . . . . 5763 1 61 . 1 1 6 6 GLN HA H 1 3.750 0.02 . . . . . . . . . . 5763 1 62 . 1 1 6 6 GLN CB C 13 27.820 0.2 . . . . . . . . . . 5763 1 63 . 1 1 6 6 GLN HB2 H 1 2.420 0.02 . . . . . . . . . . 5763 1 64 . 1 1 6 6 GLN HB3 H 1 1.680 0.02 . . . . . . . . . . 5763 1 65 . 1 1 6 6 GLN CG C 13 34.730 0.2 . . . . . . . . . . 5763 1 66 . 1 1 6 6 GLN HG2 H 1 2.590 0.02 . . . . . . . . . . 5763 1 67 . 1 1 6 6 GLN HG3 H 1 2.180 0.02 . . . . . . . . . . 5763 1 68 . 1 1 6 6 GLN NE2 N 15 111.350 0.2 . . . . . . . . . . 5763 1 69 . 1 1 6 6 GLN HE21 H 1 7.270 0.02 . . . . . . . . . . 5763 1 70 . 1 1 6 6 GLN HE22 H 1 6.830 0.02 . . . . . . . . . . 5763 1 71 . 1 1 7 7 LYS N N 15 119.399 0.2 . . . . . . . . . . 5763 1 72 . 1 1 7 7 LYS H H 1 8.763 0.02 . . . . . . . . . . 5763 1 73 . 1 1 7 7 LYS CA C 13 61.030 0.2 . . . . . . . . . . 5763 1 74 . 1 1 7 7 LYS HA H 1 3.750 0.02 . . . . . . . . . . 5763 1 75 . 1 1 7 7 LYS CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 76 . 1 1 7 7 LYS HB2 H 1 1.890 0.02 . . . . . . . . . . 5763 1 77 . 1 1 7 7 LYS HB3 H 1 1.780 0.02 . . . . . . . . . . 5763 1 78 . 1 1 7 7 LYS CG C 13 27.640 0.2 . . . . . . . . . . 5763 1 79 . 1 1 7 7 LYS HG2 H 1 1.260 0.02 . . . . . . . . . . 5763 1 80 . 1 1 7 7 LYS HG3 H 1 1.550 0.02 . . . . . . . . . . 5763 1 81 . 1 1 7 7 LYS CD C 13 29.130 0.2 . . . . . . . . . . 5763 1 82 . 1 1 7 7 LYS HD2 H 1 1.700 0.02 . . . . . . . . . . 5763 1 83 . 1 1 7 7 LYS HD3 H 1 1.790 0.02 . . . . . . . . . . 5763 1 84 . 1 1 7 7 LYS CE C 13 41.420 0.2 . . . . . . . . . . 5763 1 85 . 1 1 7 7 LYS HE2 H 1 2.890 0.02 . . . . . . . . . . 5763 1 86 . 1 1 7 7 LYS HE3 H 1 2.890 0.02 . . . . . . . . . . 5763 1 87 . 1 1 8 8 ARG N N 15 118.654 0.2 . . . . . . . . . . 5763 1 88 . 1 1 8 8 ARG H H 1 8.194 0.02 . . . . . . . . . . 5763 1 89 . 1 1 8 8 ARG CA C 13 59.910 0.2 . . . . . . . . . . 5763 1 90 . 1 1 8 8 ARG HA H 1 3.798 0.02 . . . . . . . . . . 5763 1 91 . 1 1 8 8 ARG CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 92 . 1 1 8 8 ARG HB2 H 1 1.891 0.02 . . . . . . . . . . 5763 1 93 . 1 1 8 8 ARG HB3 H 1 1.890 0.02 . . . . . . . . . . 5763 1 94 . 1 1 8 8 ARG CG C 13 26.050 0.2 . . . . . . . . . . 5763 1 95 . 1 1 8 8 ARG HG2 H 1 1.510 0.02 . . . . . . . . . . 5763 1 96 . 1 1 8 8 ARG HG3 H 1 1.510 0.02 . . . . . . . . . . 5763 1 97 . 1 1 8 8 ARG CD C 13 42.300 0.2 . . . . . . . . . . 5763 1 98 . 1 1 8 8 ARG HD2 H 1 3.120 0.02 . . . . . . . . . . 5763 1 99 . 1 1 8 8 ARG HD3 H 1 3.120 0.02 . . . . . . . . . . 5763 1 100 . 1 1 8 8 ARG NE N 15 83.900 0.2 . . . . . . . . . . 5763 1 101 . 1 1 8 8 ARG HE H 1 7.137 0.02 . . . . . . . . . . 5763 1 102 . 1 1 9 9 TYR N N 15 120.882 0.2 . . . . . . . . . . 5763 1 103 . 1 1 9 9 TYR H H 1 7.671 0.02 . . . . . . . . . . 5763 1 104 . 1 1 9 9 TYR CA C 13 60.660 0.2 . . . . . . . . . . 5763 1 105 . 1 1 9 9 TYR HA H 1 4.283 0.02 . . . . . . . . . . 5763 1 106 . 1 1 9 9 TYR CB C 13 38.100 0.2 . . . . . . . . . . 5763 1 107 . 1 1 9 9 TYR HB2 H 1 2.980 0.02 . . . . . . . . . . 5763 1 108 . 1 1 9 9 TYR HB3 H 1 3.185 0.02 . . . . . . . . . . 5763 1 109 . 1 1 9 9 TYR CE1 C 13 118.140 0.2 . . . . . . . . . . 5763 1 110 . 1 1 9 9 TYR HD1 H 1 6.700 0.02 . . . . . . . . . . 5763 1 111 . 1 1 9 9 TYR CD1 C 13 131.960 0.2 . . . . . . . . . . 5763 1 112 . 1 1 9 9 TYR HE1 H 1 6.880 0.02 . . . . . . . . . . 5763 1 113 . 1 1 9 9 TYR CD2 C 13 131.960 0.2 . . . . . . . . . . 5763 1 114 . 1 1 9 9 TYR HE2 H 1 6.880 0.02 . . . . . . . . . . 5763 1 115 . 1 1 9 9 TYR CE2 C 13 118.140 0.2 . . . . . . . . . . 5763 1 116 . 1 1 9 9 TYR HD2 H 1 6.700 0.02 . . . . . . . . . . 5763 1 117 . 1 1 10 10 LEU N N 15 119.682 0.2 . . . . . . . . . . 5763 1 118 . 1 1 10 10 LEU H H 1 8.104 0.02 . . . . . . . . . . 5763 1 119 . 1 1 10 10 LEU CA C 13 57.365 0.2 . . . . . . . . . . 5763 1 120 . 1 1 10 10 LEU HA H 1 3.680 0.02 . . . . . . . . . . 5763 1 121 . 1 1 10 10 LEU CB C 13 42.854 0.2 . . . . . . . . . . 5763 1 122 . 1 1 10 10 LEU HB2 H 1 1.710 0.02 . . . . . . . . . . 5763 1 123 . 1 1 10 10 LEU HB3 H 1 1.110 0.02 . . . . . . . . . . 5763 1 124 . 1 1 10 10 LEU CG C 13 26.700 0.2 . . . . . . . . . . 5763 1 125 . 1 1 10 10 LEU HG H 1 1.640 0.02 . . . . . . . . . . 5763 1 126 . 1 1 10 10 LEU CD1 C 13 21.896 0.2 . . . . . . . . . . 5763 1 127 . 1 1 10 10 LEU HD11 H 1 0.566 0.02 . . . . . . . . . . 5763 1 128 . 1 1 10 10 LEU HD12 H 1 0.566 0.02 . . . . . . . . . . 5763 1 129 . 1 1 10 10 LEU HD13 H 1 0.566 0.02 . . . . . . . . . . 5763 1 130 . 1 1 10 10 LEU CD2 C 13 26.090 0.2 . . . . . . . . . . 5763 1 131 . 1 1 10 10 LEU HD21 H 1 0.232 0.02 . . . . . . . . . . 5763 1 132 . 1 1 10 10 LEU HD22 H 1 0.232 0.02 . . . . . . . . . . 5763 1 133 . 1 1 10 10 LEU HD23 H 1 0.232 0.02 . . . . . . . . . . 5763 1 134 . 1 1 11 11 ARG N N 15 118.958 0.2 . . . . . . . . . . 5763 1 135 . 1 1 11 11 ARG H H 1 8.535 0.02 . . . . . . . . . . 5763 1 136 . 1 1 11 11 ARG CA C 13 59.740 0.2 . . . . . . . . . . 5763 1 137 . 1 1 11 11 ARG HA H 1 3.600 0.02 . . . . . . . . . . 5763 1 138 . 1 1 11 11 ARG CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 139 . 1 1 11 11 ARG HB2 H 1 1.730 0.02 . . . . . . . . . . 5763 1 140 . 1 1 11 11 ARG HB3 H 1 1.730 0.02 . . . . . . . . . . 5763 1 141 . 1 1 11 11 ARG CG C 13 28.700 0.2 . . . . . . . . . . 5763 1 142 . 1 1 11 11 ARG HG2 H 1 1.310 0.02 . . . . . . . . . . 5763 1 143 . 1 1 11 11 ARG HG3 H 1 1.310 0.02 . . . . . . . . . . 5763 1 144 . 1 1 11 11 ARG CD C 13 42.460 0.2 . . . . . . . . . . 5763 1 145 . 1 1 11 11 ARG HD2 H 1 2.880 0.02 . . . . . . . . . . 5763 1 146 . 1 1 12 12 SER N N 15 115.713 0.2 . . . . . . . . . . 5763 1 147 . 1 1 12 12 SER H H 1 7.546 0.02 . . . . . . . . . . 5763 1 148 . 1 1 12 12 SER CA C 13 61.300 0.2 . . . . . . . . . . 5763 1 149 . 1 1 12 12 SER HA H 1 4.070 0.02 . . . . . . . . . . 5763 1 150 . 1 1 12 12 SER CB C 13 62.150 0.2 . . . . . . . . . . 5763 1 151 . 1 1 12 12 SER HB2 H 1 3.900 0.02 . . . . . . . . . . 5763 1 152 . 1 1 13 13 LEU N N 15 122.517 0.2 . . . . . . . . . . 5763 1 153 . 1 1 13 13 LEU H H 1 7.403 0.02 . . . . . . . . . . 5763 1 154 . 1 1 13 13 LEU CA C 13 56.930 0.2 . . . . . . . . . . 5763 1 155 . 1 1 13 13 LEU HA H 1 3.942 0.02 . . . . . . . . . . 5763 1 156 . 1 1 13 13 LEU CB C 13 41.817 0.2 . . . . . . . . . . 5763 1 157 . 1 1 13 13 LEU HB2 H 1 1.530 0.02 . . . . . . . . . . 5763 1 158 . 1 1 13 13 LEU HB3 H 1 1.240 0.02 . . . . . . . . . . 5763 1 159 . 1 1 13 13 LEU CG C 13 26.450 0.2 . . . . . . . . . . 5763 1 160 . 1 1 13 13 LEU HG H 1 1.220 0.02 . . . . . . . . . . 5763 1 161 . 1 1 13 13 LEU CD1 C 13 22.397 0.2 . . . . . . . . . . 5763 1 162 . 1 1 13 13 LEU HD11 H 1 0.636 0.02 . . . . . . . . . . 5763 1 163 . 1 1 13 13 LEU HD12 H 1 0.636 0.02 . . . . . . . . . . 5763 1 164 . 1 1 13 13 LEU HD13 H 1 0.636 0.02 . . . . . . . . . . 5763 1 165 . 1 1 13 13 LEU CD2 C 13 25.011 0.2 . . . . . . . . . . 5763 1 166 . 1 1 13 13 LEU HD21 H 1 0.588 0.02 . . . . . . . . . . 5763 1 167 . 1 1 13 13 LEU HD22 H 1 0.588 0.02 . . . . . . . . . . 5763 1 168 . 1 1 13 13 LEU HD23 H 1 0.588 0.02 . . . . . . . . . . 5763 1 169 . 1 1 14 14 ALA N N 15 118.570 0.2 . . . . . . . . . . 5763 1 170 . 1 1 14 14 ALA H H 1 8.047 0.02 . . . . . . . . . . 5763 1 171 . 1 1 14 14 ALA CA C 13 52.640 0.2 . . . . . . . . . . 5763 1 172 . 1 1 14 14 ALA HA H 1 3.970 0.02 . . . . . . . . . . 5763 1 173 . 1 1 14 14 ALA CB C 13 18.680 0.2 . . . . . . . . . . 5763 1 174 . 1 1 14 14 ALA HB1 H 1 1.370 0.02 . . . . . . . . . . 5763 1 175 . 1 1 14 14 ALA HB2 H 1 1.370 0.02 . . . . . . . . . . 5763 1 176 . 1 1 14 14 ALA HB3 H 1 1.370 0.02 . . . . . . . . . . 5763 1 177 . 1 1 15 15 HIS N N 15 117.698 0.2 . . . . . . . . . . 5763 1 178 . 1 1 15 15 HIS H H 1 7.355 0.02 . . . . . . . . . . 5763 1 179 . 1 1 15 15 HIS CA C 13 58.402 0.2 . . . . . . . . . . 5763 1 180 . 1 1 15 15 HIS HA H 1 4.330 0.02 . . . . . . . . . . 5763 1 181 . 1 1 15 15 HIS CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 182 . 1 1 15 15 HIS HB2 H 1 3.190 0.02 . . . . . . . . . . 5763 1 183 . 1 1 15 15 HIS HB3 H 1 3.090 0.02 . . . . . . . . . . 5763 1 184 . 1 1 16 16 ASN N N 15 112.936 0.2 . . . . . . . . . . 5763 1 185 . 1 1 16 16 ASN H H 1 7.684 0.02 . . . . . . . . . . 5763 1 186 . 1 1 16 16 ASN CA C 13 52.300 0.2 . . . . . . . . . . 5763 1 187 . 1 1 16 16 ASN HA H 1 4.799 0.02 . . . . . . . . . . 5763 1 188 . 1 1 16 16 ASN CB C 13 39.000 0.2 . . . . . . . . . . 5763 1 189 . 1 1 16 16 ASN HB2 H 1 2.630 0.02 . . . . . . . . . . 5763 1 190 . 1 1 16 16 ASN HB3 H 1 3.014 0.02 . . . . . . . . . . 5763 1 191 . 1 1 16 16 ASN ND2 N 15 113.160 0.2 . . . . . . . . . . 5763 1 192 . 1 1 16 16 ASN HD21 H 1 7.500 0.02 . . . . . . . . . . 5763 1 193 . 1 1 16 16 ASN HD22 H 1 6.930 0.02 . . . . . . . . . . 5763 1 194 . 1 1 17 17 ILE N N 15 115.453 0.2 . . . . . . . . . . 5763 1 195 . 1 1 17 17 ILE H H 1 7.039 0.02 . . . . . . . . . . 5763 1 196 . 1 1 17 17 ILE CA C 13 59.740 0.2 . . . . . . . . . . 5763 1 197 . 1 1 17 17 ILE HA H 1 4.480 0.02 . . . . . . . . . . 5763 1 198 . 1 1 17 17 ILE CB C 13 38.708 0.2 . . . . . . . . . . 5763 1 199 . 1 1 17 17 ILE HB H 1 1.960 0.02 . . . . . . . . . . 5763 1 200 . 1 1 17 17 ILE CG1 C 13 25.000 0.2 . . . . . . . . . . 5763 1 201 . 1 1 17 17 ILE HG12 H 1 1.280 0.02 . . . . . . . . . . 5763 1 202 . 1 1 17 17 ILE HG13 H 1 1.340 0.02 . . . . . . . . . . 5763 1 203 . 1 1 17 17 ILE CD1 C 13 13.340 0.2 . . . . . . . . . . 5763 1 204 . 1 1 17 17 ILE HD11 H 1 0.720 0.02 . . . . . . . . . . 5763 1 205 . 1 1 17 17 ILE HD12 H 1 0.720 0.02 . . . . . . . . . . 5763 1 206 . 1 1 17 17 ILE HD13 H 1 0.720 0.02 . . . . . . . . . . 5763 1 207 . 1 1 17 17 ILE CG2 C 13 17.100 0.2 . . . . . . . . . . 5763 1 208 . 1 1 17 17 ILE HG21 H 1 0.890 0.02 . . . . . . . . . . 5763 1 209 . 1 1 17 17 ILE HG22 H 1 0.890 0.02 . . . . . . . . . . 5763 1 210 . 1 1 17 17 ILE HG23 H 1 0.890 0.02 . . . . . . . . . . 5763 1 211 . 1 1 18 18 ASP N N 15 124.942 0.2 . . . . . . . . . . 5763 1 212 . 1 1 18 18 ASP H H 1 8.410 0.02 . . . . . . . . . . 5763 1 213 . 1 1 18 18 ASP CA C 13 52.200 0.2 . . . . . . . . . . 5763 1 214 . 1 1 18 18 ASP HA H 1 4.972 0.02 . . . . . . . . . . 5763 1 215 . 1 1 18 18 ASP CB C 13 40.100 0.2 . . . . . . . . . . 5763 1 216 . 1 1 18 18 ASP HB2 H 1 2.347 0.02 . . . . . . . . . . 5763 1 217 . 1 1 18 18 ASP HB3 H 1 2.608 0.02 . . . . . . . . . . 5763 1 218 . 1 1 19 19 PRO CA C 13 62.530 0.2 . . . . . . . . . . 5763 1 219 . 1 1 19 19 PRO HA H 1 4.570 0.02 . . . . . . . . . . 5763 1 220 . 1 1 19 19 PRO CB C 13 32.540 0.2 . . . . . . . . . . 5763 1 221 . 1 1 19 19 PRO HB2 H 1 1.950 0.02 . . . . . . . . . . 5763 1 222 . 1 1 19 19 PRO HB3 H 1 1.950 0.02 . . . . . . . . . . 5763 1 223 . 1 1 19 19 PRO CG C 13 27.540 0.2 . . . . . . . . . . 5763 1 224 . 1 1 19 19 PRO HG2 H 1 1.800 0.02 . . . . . . . . . . 5763 1 225 . 1 1 19 19 PRO HG3 H 1 2.100 0.02 . . . . . . . . . . 5763 1 226 . 1 1 19 19 PRO CD C 13 50.030 0.2 . . . . . . . . . . 5763 1 227 . 1 1 19 19 PRO HD2 H 1 3.610 0.02 . . . . . . . . . . 5763 1 228 . 1 1 19 19 PRO HD3 H 1 3.650 0.02 . . . . . . . . . . 5763 1 229 . 1 1 20 20 ILE N N 15 116.914 0.2 . . . . . . . . . . 5763 1 230 . 1 1 20 20 ILE H H 1 7.976 0.02 . . . . . . . . . . 5763 1 231 . 1 1 20 20 ILE CA C 13 60.700 0.2 . . . . . . . . . . 5763 1 232 . 1 1 20 20 ILE HA H 1 4.390 0.02 . . . . . . . . . . 5763 1 233 . 1 1 20 20 ILE CB C 13 39.420 0.2 . . . . . . . . . . 5763 1 234 . 1 1 20 20 ILE HB H 1 1.720 0.02 . . . . . . . . . . 5763 1 235 . 1 1 20 20 ILE CG1 C 13 25.880 0.2 . . . . . . . . . . 5763 1 236 . 1 1 20 20 ILE HG12 H 1 1.310 0.02 . . . . . . . . . . 5763 1 237 . 1 1 20 20 ILE HG13 H 1 1.220 0.02 . . . . . . . . . . 5763 1 238 . 1 1 20 20 ILE CD1 C 13 14.420 0.2 . . . . . . . . . . 5763 1 239 . 1 1 20 20 ILE HD11 H 1 0.800 0.02 . . . . . . . . . . 5763 1 240 . 1 1 20 20 ILE HD12 H 1 0.800 0.02 . . . . . . . . . . 5763 1 241 . 1 1 20 20 ILE HD13 H 1 0.800 0.02 . . . . . . . . . . 5763 1 242 . 1 1 20 20 ILE CG2 C 13 17.190 0.2 . . . . . . . . . . 5763 1 243 . 1 1 20 20 ILE HG21 H 1 0.730 0.02 . . . . . . . . . . 5763 1 244 . 1 1 20 20 ILE HG22 H 1 0.730 0.02 . . . . . . . . . . 5763 1 245 . 1 1 20 20 ILE HG23 H 1 0.730 0.02 . . . . . . . . . . 5763 1 246 . 1 1 21 21 PHE N N 15 116.015 0.2 . . . . . . . . . . 5763 1 247 . 1 1 21 21 PHE H H 1 7.276 0.02 . . . . . . . . . . 5763 1 248 . 1 1 21 21 PHE CA C 13 57.000 0.2 . . . . . . . . . . 5763 1 249 . 1 1 21 21 PHE HA H 1 4.892 0.02 . . . . . . . . . . 5763 1 250 . 1 1 21 21 PHE CB C 13 44.250 0.2 . . . . . . . . . . 5763 1 251 . 1 1 21 21 PHE HB2 H 1 3.120 0.02 . . . . . . . . . . 5763 1 252 . 1 1 21 21 PHE HB3 H 1 2.570 0.02 . . . . . . . . . . 5763 1 253 . 1 1 21 21 PHE HD1 H 1 7.030 0.02 . . . . . . . . . . 5763 1 254 . 1 1 21 21 PHE HE1 H 1 7.160 0.02 . . . . . . . . . . 5763 1 255 . 1 1 21 21 PHE HZ H 1 7.300 0.02 . . . . . . . . . . 5763 1 256 . 1 1 21 21 PHE HE2 H 1 7.160 0.02 . . . . . . . . . . 5763 1 257 . 1 1 21 21 PHE HD2 H 1 7.030 0.02 . . . . . . . . . . 5763 1 258 . 1 1 22 22 GLN N N 15 120.191 0.2 . . . . . . . . . . 5763 1 259 . 1 1 22 22 GLN H H 1 8.759 0.02 . . . . . . . . . . 5763 1 260 . 1 1 22 22 GLN CA C 13 53.219 0.2 . . . . . . . . . . 5763 1 261 . 1 1 22 22 GLN HA H 1 5.613 0.02 . . . . . . . . . . 5763 1 262 . 1 1 22 22 GLN CB C 13 31.000 0.2 . . . . . . . . . . 5763 1 263 . 1 1 22 22 GLN HB2 H 1 1.937 0.02 . . . . . . . . . . 5763 1 264 . 1 1 22 22 GLN HB3 H 1 1.937 0.02 . . . . . . . . . . 5763 1 265 . 1 1 22 22 GLN CG C 13 32.860 0.2 . . . . . . . . . . 5763 1 266 . 1 1 22 22 GLN HG2 H 1 2.291 0.02 . . . . . . . . . . 5763 1 267 . 1 1 22 22 GLN HG3 H 1 2.220 0.02 . . . . . . . . . . 5763 1 268 . 1 1 22 22 GLN NE2 N 15 112.330 0.2 . . . . . . . . . . 5763 1 269 . 1 1 22 22 GLN HE21 H 1 7.660 0.02 . . . . . . . . . . 5763 1 270 . 1 1 22 22 GLN HE22 H 1 6.820 0.02 . . . . . . . . . . 5763 1 271 . 1 1 23 23 ILE N N 15 122.487 0.2 . . . . . . . . . . 5763 1 272 . 1 1 23 23 ILE H H 1 8.853 0.02 . . . . . . . . . . 5763 1 273 . 1 1 23 23 ILE CA C 13 60.475 0.2 . . . . . . . . . . 5763 1 274 . 1 1 23 23 ILE HA H 1 4.170 0.02 . . . . . . . . . . 5763 1 275 . 1 1 23 23 ILE CB C 13 39.300 0.2 . . . . . . . . . . 5763 1 276 . 1 1 23 23 ILE HB H 1 1.630 0.02 . . . . . . . . . . 5763 1 277 . 1 1 23 23 ILE CG1 C 13 26.370 0.2 . . . . . . . . . . 5763 1 278 . 1 1 23 23 ILE HG12 H 1 1.580 0.02 . . . . . . . . . . 5763 1 279 . 1 1 23 23 ILE HG13 H 1 1.310 0.02 . . . . . . . . . . 5763 1 280 . 1 1 23 23 ILE CD1 C 13 13.880 0.2 . . . . . . . . . . 5763 1 281 . 1 1 23 23 ILE HD11 H 1 0.600 0.02 . . . . . . . . . . 5763 1 282 . 1 1 23 23 ILE HD12 H 1 0.600 0.02 . . . . . . . . . . 5763 1 283 . 1 1 23 23 ILE HD13 H 1 0.600 0.02 . . . . . . . . . . 5763 1 284 . 1 1 23 23 ILE CG2 C 13 17.200 0.2 . . . . . . . . . . 5763 1 285 . 1 1 23 23 ILE HG21 H 1 0.835 0.02 . . . . . . . . . . 5763 1 286 . 1 1 23 23 ILE HG22 H 1 0.835 0.02 . . . . . . . . . . 5763 1 287 . 1 1 23 23 ILE HG23 H 1 0.835 0.02 . . . . . . . . . . 5763 1 288 . 1 1 24 24 GLY N N 15 115.584 0.2 . . . . . . . . . . 5763 1 289 . 1 1 24 24 GLY H H 1 8.652 0.02 . . . . . . . . . . 5763 1 290 . 1 1 24 24 GLY CA C 13 43.890 0.2 . . . . . . . . . . 5763 1 291 . 1 1 24 24 GLY HA2 H 1 3.791 0.02 . . . . . . . . . . 5763 1 292 . 1 1 24 24 GLY HA3 H 1 4.518 0.02 . . . . . . . . . . 5763 1 293 . 1 1 25 25 LYS N N 15 124.151 0.2 . . . . . . . . . . 5763 1 294 . 1 1 25 25 LYS H H 1 8.352 0.02 . . . . . . . . . . 5763 1 295 . 1 1 25 25 LYS CA C 13 58.402 0.2 . . . . . . . . . . 5763 1 296 . 1 1 25 25 LYS HA H 1 3.870 0.02 . . . . . . . . . . 5763 1 297 . 1 1 25 25 LYS CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 298 . 1 1 25 25 LYS HB2 H 1 1.670 0.02 . . . . . . . . . . 5763 1 299 . 1 1 25 25 LYS HB3 H 1 1.670 0.02 . . . . . . . . . . 5763 1 300 . 1 1 25 25 LYS CG C 13 24.280 0.2 . . . . . . . . . . 5763 1 301 . 1 1 25 25 LYS HG2 H 1 1.350 0.02 . . . . . . . . . . 5763 1 302 . 1 1 25 25 LYS HG3 H 1 1.350 0.02 . . . . . . . . . . 5763 1 303 . 1 1 25 25 LYS CD C 13 29.000 0.2 . . . . . . . . . . 5763 1 304 . 1 1 25 25 LYS HD2 H 1 1.630 0.02 . . . . . . . . . . 5763 1 305 . 1 1 25 25 LYS HD3 H 1 1.630 0.02 . . . . . . . . . . 5763 1 306 . 1 1 25 25 LYS CE C 13 41.720 0.2 . . . . . . . . . . 5763 1 307 . 1 1 25 25 LYS HE2 H 1 2.920 0.02 . . . . . . . . . . 5763 1 308 . 1 1 26 26 GLY N N 15 109.105 0.2 . . . . . . . . . . 5763 1 309 . 1 1 26 26 GLY H H 1 8.862 0.02 . . . . . . . . . . 5763 1 310 . 1 1 26 26 GLY CA C 13 44.927 0.2 . . . . . . . . . . 5763 1 311 . 1 1 26 26 GLY HA2 H 1 3.890 0.02 . . . . . . . . . . 5763 1 312 . 1 1 26 26 GLY HA3 H 1 3.830 0.02 . . . . . . . . . . 5763 1 313 . 1 1 27 27 GLY N N 15 106.497 0.2 . . . . . . . . . . 5763 1 314 . 1 1 27 27 GLY H H 1 7.747 0.02 . . . . . . . . . . 5763 1 315 . 1 1 27 27 GLY CA C 13 44.927 0.2 . . . . . . . . . . 5763 1 316 . 1 1 27 27 GLY HA2 H 1 3.388 0.02 . . . . . . . . . . 5763 1 317 . 1 1 27 27 GLY HA3 H 1 4.096 0.02 . . . . . . . . . . 5763 1 318 . 1 1 28 28 ILE N N 15 120.645 0.2 . . . . . . . . . . 5763 1 319 . 1 1 28 28 ILE H H 1 8.564 0.02 . . . . . . . . . . 5763 1 320 . 1 1 28 28 ILE CA C 13 61.512 0.2 . . . . . . . . . . 5763 1 321 . 1 1 28 28 ILE HA H 1 4.129 0.02 . . . . . . . . . . 5763 1 322 . 1 1 28 28 ILE CB C 13 37.900 0.2 . . . . . . . . . . 5763 1 323 . 1 1 28 28 ILE HB H 1 1.682 0.02 . . . . . . . . . . 5763 1 324 . 1 1 28 28 ILE CG1 C 13 27.640 0.2 . . . . . . . . . . 5763 1 325 . 1 1 28 28 ILE HG12 H 1 0.970 0.02 . . . . . . . . . . 5763 1 326 . 1 1 28 28 ILE HG13 H 1 1.450 0.02 . . . . . . . . . . 5763 1 327 . 1 1 28 28 ILE CD1 C 13 14.140 0.2 . . . . . . . . . . 5763 1 328 . 1 1 28 28 ILE HD11 H 1 0.715 0.02 . . . . . . . . . . 5763 1 329 . 1 1 28 28 ILE HD12 H 1 0.715 0.02 . . . . . . . . . . 5763 1 330 . 1 1 28 28 ILE HD13 H 1 0.715 0.02 . . . . . . . . . . 5763 1 331 . 1 1 28 28 ILE CG2 C 13 18.070 0.2 . . . . . . . . . . 5763 1 332 . 1 1 28 28 ILE HG21 H 1 0.717 0.02 . . . . . . . . . . 5763 1 333 . 1 1 28 28 ILE HG22 H 1 0.717 0.02 . . . . . . . . . . 5763 1 334 . 1 1 28 28 ILE HG23 H 1 0.717 0.02 . . . . . . . . . . 5763 1 335 . 1 1 29 29 ASN N N 15 120.442 0.2 . . . . . . . . . . 5763 1 336 . 1 1 29 29 ASN H H 1 7.021 0.02 . . . . . . . . . . 5763 1 337 . 1 1 29 29 ASN CA C 13 51.146 0.2 . . . . . . . . . . 5763 1 338 . 1 1 29 29 ASN HA H 1 4.890 0.02 . . . . . . . . . . 5763 1 339 . 1 1 29 29 ASN CB C 13 40.181 0.2 . . . . . . . . . . 5763 1 340 . 1 1 29 29 ASN HB2 H 1 3.110 0.02 . . . . . . . . . . 5763 1 341 . 1 1 29 29 ASN HB3 H 1 2.870 0.02 . . . . . . . . . . 5763 1 342 . 1 1 29 29 ASN ND2 N 15 114.680 0.2 . . . . . . . . . . 5763 1 343 . 1 1 29 29 ASN HD21 H 1 7.630 0.02 . . . . . . . . . . 5763 1 344 . 1 1 29 29 ASN HD22 H 1 6.970 0.02 . . . . . . . . . . 5763 1 345 . 1 1 30 30 GLU N N 15 119.469 0.2 . . . . . . . . . . 5763 1 346 . 1 1 30 30 GLU H H 1 8.909 0.02 . . . . . . . . . . 5763 1 347 . 1 1 30 30 GLU CA C 13 59.439 0.2 . . . . . . . . . . 5763 1 348 . 1 1 30 30 GLU HA H 1 3.900 0.02 . . . . . . . . . . 5763 1 349 . 1 1 30 30 GLU CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 350 . 1 1 30 30 GLU HB2 H 1 2.000 0.02 . . . . . . . . . . 5763 1 351 . 1 1 30 30 GLU HB3 H 1 2.000 0.02 . . . . . . . . . . 5763 1 352 . 1 1 30 30 GLU CG C 13 36.000 0.2 . . . . . . . . . . 5763 1 353 . 1 1 30 30 GLU HG2 H 1 2.270 0.02 . . . . . . . . . . 5763 1 354 . 1 1 30 30 GLU HG3 H 1 2.270 0.02 . . . . . . . . . . 5763 1 355 . 1 1 31 31 ASN N N 15 118.978 0.2 . . . . . . . . . . 5763 1 356 . 1 1 31 31 ASN H H 1 8.359 0.02 . . . . . . . . . . 5763 1 357 . 1 1 31 31 ASN CA C 13 56.329 0.2 . . . . . . . . . . 5763 1 358 . 1 1 31 31 ASN HA H 1 4.429 0.02 . . . . . . . . . . 5763 1 359 . 1 1 31 31 ASN CB C 13 38.708 0.2 . . . . . . . . . . 5763 1 360 . 1 1 31 31 ASN HB2 H 1 2.777 0.02 . . . . . . . . . . 5763 1 361 . 1 1 31 31 ASN HB3 H 1 2.650 0.02 . . . . . . . . . . 5763 1 362 . 1 1 31 31 ASN ND2 N 15 113.370 0.2 . . . . . . . . . . 5763 1 363 . 1 1 31 31 ASN HD21 H 1 7.620 0.02 . . . . . . . . . . 5763 1 364 . 1 1 31 31 ASN HD22 H 1 6.900 0.02 . . . . . . . . . . 5763 1 365 . 1 1 32 32 MET N N 15 120.834 0.2 . . . . . . . . . . 5763 1 366 . 1 1 32 32 MET H H 1 8.044 0.02 . . . . . . . . . . 5763 1 367 . 1 1 32 32 MET CA C 13 58.020 0.2 . . . . . . . . . . 5763 1 368 . 1 1 32 32 MET HA H 1 4.117 0.02 . . . . . . . . . . 5763 1 369 . 1 1 32 32 MET CB C 13 33.525 0.2 . . . . . . . . . . 5763 1 370 . 1 1 32 32 MET HB2 H 1 1.920 0.02 . . . . . . . . . . 5763 1 371 . 1 1 32 32 MET HB3 H 1 2.260 0.02 . . . . . . . . . . 5763 1 372 . 1 1 32 32 MET CG C 13 31.290 0.2 . . . . . . . . . . 5763 1 373 . 1 1 32 32 MET HG2 H 1 2.210 0.02 . . . . . . . . . . 5763 1 374 . 1 1 32 32 MET HG3 H 1 2.420 0.02 . . . . . . . . . . 5763 1 375 . 1 1 32 32 MET CE C 13 16.830 0.2 . . . . . . . . . . 5763 1 376 . 1 1 32 32 MET HE1 H 1 2.090 0.02 . . . . . . . . . . 5763 1 377 . 1 1 32 32 MET HE2 H 1 2.090 0.02 . . . . . . . . . . 5763 1 378 . 1 1 32 32 MET HE3 H 1 2.090 0.02 . . . . . . . . . . 5763 1 379 . 1 1 33 33 ILE N N 15 118.875 0.2 . . . . . . . . . . 5763 1 380 . 1 1 33 33 ILE H H 1 7.816 0.02 . . . . . . . . . . 5763 1 381 . 1 1 33 33 ILE CA C 13 64.621 0.2 . . . . . . . . . . 5763 1 382 . 1 1 33 33 ILE HA H 1 3.130 0.02 . . . . . . . . . . 5763 1 383 . 1 1 33 33 ILE CB C 13 36.635 0.2 . . . . . . . . . . 5763 1 384 . 1 1 33 33 ILE HB H 1 1.856 0.02 . . . . . . . . . . 5763 1 385 . 1 1 33 33 ILE CG1 C 13 28.930 0.2 . . . . . . . . . . 5763 1 386 . 1 1 33 33 ILE HG12 H 1 1.430 0.02 . . . . . . . . . . 5763 1 387 . 1 1 33 33 ILE HG13 H 1 0.810 0.02 . . . . . . . . . . 5763 1 388 . 1 1 33 33 ILE CD1 C 13 12.310 0.2 . . . . . . . . . . 5763 1 389 . 1 1 33 33 ILE HD11 H 1 0.583 0.02 . . . . . . . . . . 5763 1 390 . 1 1 33 33 ILE HD12 H 1 0.583 0.02 . . . . . . . . . . 5763 1 391 . 1 1 33 33 ILE HD13 H 1 0.583 0.02 . . . . . . . . . . 5763 1 392 . 1 1 33 33 ILE CG2 C 13 17.440 0.2 . . . . . . . . . . 5763 1 393 . 1 1 33 33 ILE HG21 H 1 0.710 0.02 . . . . . . . . . . 5763 1 394 . 1 1 33 33 ILE HG22 H 1 0.710 0.02 . . . . . . . . . . 5763 1 395 . 1 1 33 33 ILE HG23 H 1 0.710 0.02 . . . . . . . . . . 5763 1 396 . 1 1 34 34 LYS N N 15 119.197 0.2 . . . . . . . . . . 5763 1 397 . 1 1 34 34 LYS H H 1 7.627 0.02 . . . . . . . . . . 5763 1 398 . 1 1 34 34 LYS CA C 13 59.439 0.2 . . . . . . . . . . 5763 1 399 . 1 1 34 34 LYS HA H 1 4.077 0.02 . . . . . . . . . . 5763 1 400 . 1 1 34 34 LYS CB C 13 31.600 0.2 . . . . . . . . . . 5763 1 401 . 1 1 34 34 LYS HB2 H 1 1.931 0.02 . . . . . . . . . . 5763 1 402 . 1 1 34 34 LYS HB3 H 1 1.930 0.02 . . . . . . . . . . 5763 1 403 . 1 1 34 34 LYS CG C 13 24.800 0.2 . . . . . . . . . . 5763 1 404 . 1 1 34 34 LYS HG2 H 1 1.410 0.02 . . . . . . . . . . 5763 1 405 . 1 1 34 34 LYS HG3 H 1 1.500 0.02 . . . . . . . . . . 5763 1 406 . 1 1 34 34 LYS CD C 13 28.380 0.2 . . . . . . . . . . 5763 1 407 . 1 1 34 34 LYS HD2 H 1 1.700 0.02 . . . . . . . . . . 5763 1 408 . 1 1 34 34 LYS HD3 H 1 1.700 0.02 . . . . . . . . . . 5763 1 409 . 1 1 34 34 LYS CE C 13 41.600 0.2 . . . . . . . . . . 5763 1 410 . 1 1 34 34 LYS HE2 H 1 2.920 0.02 . . . . . . . . . . 5763 1 411 . 1 1 34 34 LYS HE3 H 1 2.920 0.02 . . . . . . . . . . 5763 1 412 . 1 1 35 35 GLN N N 15 117.459 0.2 . . . . . . . . . . 5763 1 413 . 1 1 35 35 GLN H H 1 7.777 0.02 . . . . . . . . . . 5763 1 414 . 1 1 35 35 GLN CA C 13 58.600 0.2 . . . . . . . . . . 5763 1 415 . 1 1 35 35 GLN HA H 1 4.199 0.02 . . . . . . . . . . 5763 1 416 . 1 1 35 35 GLN CB C 13 28.600 0.2 . . . . . . . . . . 5763 1 417 . 1 1 35 35 GLN HB2 H 1 2.200 0.02 . . . . . . . . . . 5763 1 418 . 1 1 35 35 GLN HB3 H 1 2.200 0.02 . . . . . . . . . . 5763 1 419 . 1 1 35 35 GLN CG C 13 34.000 0.2 . . . . . . . . . . 5763 1 420 . 1 1 35 35 GLN HG2 H 1 2.579 0.02 . . . . . . . . . . 5763 1 421 . 1 1 35 35 GLN HG3 H 1 2.380 0.02 . . . . . . . . . . 5763 1 422 . 1 1 35 35 GLN NE2 N 15 109.650 0.2 . . . . . . . . . . 5763 1 423 . 1 1 35 35 GLN HE21 H 1 7.320 0.02 . . . . . . . . . . 5763 1 424 . 1 1 35 35 GLN HE22 H 1 6.880 0.02 . . . . . . . . . . 5763 1 425 . 1 1 36 36 ILE N N 15 123.160 0.2 . . . . . . . . . . 5763 1 426 . 1 1 36 36 ILE H H 1 8.408 0.02 . . . . . . . . . . 5763 1 427 . 1 1 36 36 ILE CA C 13 65.880 0.2 . . . . . . . . . . 5763 1 428 . 1 1 36 36 ILE HA H 1 3.228 0.02 . . . . . . . . . . 5763 1 429 . 1 1 36 36 ILE CB C 13 36.635 0.2 . . . . . . . . . . 5763 1 430 . 1 1 36 36 ILE HB H 1 1.500 0.02 . . . . . . . . . . 5763 1 431 . 1 1 36 36 ILE CG1 C 13 27.900 0.2 . . . . . . . . . . 5763 1 432 . 1 1 36 36 ILE HG12 H 1 0.980 0.02 . . . . . . . . . . 5763 1 433 . 1 1 36 36 ILE HG13 H 1 -0.460 0.02 . . . . . . . . . . 5763 1 434 . 1 1 36 36 ILE CD1 C 13 14.000 0.2 . . . . . . . . . . 5763 1 435 . 1 1 36 36 ILE HD11 H 1 0.240 0.02 . . . . . . . . . . 5763 1 436 . 1 1 36 36 ILE HD12 H 1 0.240 0.02 . . . . . . . . . . 5763 1 437 . 1 1 36 36 ILE HD13 H 1 0.240 0.02 . . . . . . . . . . 5763 1 438 . 1 1 36 36 ILE CG2 C 13 17.880 0.2 . . . . . . . . . . 5763 1 439 . 1 1 36 36 ILE HG21 H 1 0.590 0.02 . . . . . . . . . . 5763 1 440 . 1 1 36 36 ILE HG22 H 1 0.590 0.02 . . . . . . . . . . 5763 1 441 . 1 1 36 36 ILE HG23 H 1 0.590 0.02 . . . . . . . . . . 5763 1 442 . 1 1 37 37 ASP N N 15 121.143 0.2 . . . . . . . . . . 5763 1 443 . 1 1 37 37 ASP H H 1 8.663 0.02 . . . . . . . . . . 5763 1 444 . 1 1 37 37 ASP CA C 13 57.600 0.2 . . . . . . . . . . 5763 1 445 . 1 1 37 37 ASP HA H 1 4.070 0.02 . . . . . . . . . . 5763 1 446 . 1 1 37 37 ASP CB C 13 41.417 0.2 . . . . . . . . . . 5763 1 447 . 1 1 37 37 ASP HB2 H 1 2.950 0.02 . . . . . . . . . . 5763 1 448 . 1 1 37 37 ASP HB3 H 1 2.750 0.02 . . . . . . . . . . 5763 1 449 . 1 1 38 38 ASP N N 15 116.627 0.2 . . . . . . . . . . 5763 1 450 . 1 1 38 38 ASP H H 1 8.160 0.02 . . . . . . . . . . 5763 1 451 . 1 1 38 38 ASP CA C 13 56.743 0.2 . . . . . . . . . . 5763 1 452 . 1 1 38 38 ASP HA H 1 4.330 0.02 . . . . . . . . . . 5763 1 453 . 1 1 38 38 ASP CB C 13 40.381 0.2 . . . . . . . . . . 5763 1 454 . 1 1 38 38 ASP HB2 H 1 2.766 0.02 . . . . . . . . . . 5763 1 455 . 1 1 38 38 ASP HB3 H 1 2.610 0.02 . . . . . . . . . . 5763 1 456 . 1 1 39 39 THR N N 15 117.645 0.2 . . . . . . . . . . 5763 1 457 . 1 1 39 39 THR H H 1 8.195 0.02 . . . . . . . . . . 5763 1 458 . 1 1 39 39 THR CA C 13 66.694 0.2 . . . . . . . . . . 5763 1 459 . 1 1 39 39 THR HA H 1 4.097 0.02 . . . . . . . . . . 5763 1 460 . 1 1 39 39 THR CB C 13 68.084 0.2 . . . . . . . . . . 5763 1 461 . 1 1 39 39 THR HB H 1 4.363 0.02 . . . . . . . . . . 5763 1 462 . 1 1 39 39 THR CG2 C 13 21.900 0.2 . . . . . . . . . . 5763 1 463 . 1 1 39 39 THR HG21 H 1 1.410 0.02 . . . . . . . . . . 5763 1 464 . 1 1 39 39 THR HG22 H 1 1.410 0.02 . . . . . . . . . . 5763 1 465 . 1 1 39 39 THR HG23 H 1 1.410 0.02 . . . . . . . . . . 5763 1 466 . 1 1 41 41 GLU H H 1 8.150 0.02 . . . . . . . . . . 5763 1 467 . 1 1 41 41 GLU CA C 13 57.400 0.2 . . . . . . . . . . 5763 1 468 . 1 1 41 41 GLU CB C 13 29.400 0.2 . . . . . . . . . . 5763 1 469 . 1 1 41 41 GLU HB2 H 1 1.960 0.02 . . . . . . . . . . 5763 1 470 . 1 1 41 41 GLU HG2 H 1 2.310 0.02 . . . . . . . . . . 5763 1 471 . 1 1 42 42 ASN N N 15 114.265 0.2 . . . . . . . . . . 5763 1 472 . 1 1 42 42 ASN H H 1 7.347 0.02 . . . . . . . . . . 5763 1 473 . 1 1 42 42 ASN CA C 13 54.256 0.2 . . . . . . . . . . 5763 1 474 . 1 1 42 42 ASN HA H 1 4.920 0.02 . . . . . . . . . . 5763 1 475 . 1 1 42 42 ASN CB C 13 40.780 0.2 . . . . . . . . . . 5763 1 476 . 1 1 42 42 ASN HB2 H 1 2.770 0.02 . . . . . . . . . . 5763 1 477 . 1 1 42 42 ASN HB3 H 1 2.770 0.02 . . . . . . . . . . 5763 1 478 . 1 1 42 42 ASN ND2 N 15 113.460 0.2 . . . . . . . . . . 5763 1 479 . 1 1 42 42 ASN HD21 H 1 7.550 0.02 . . . . . . . . . . 5763 1 480 . 1 1 42 42 ASN HD22 H 1 6.870 0.02 . . . . . . . . . . 5763 1 481 . 1 1 45 45 LEU CA C 13 53.000 0.2 . . . . . . . . . . 5763 1 482 . 1 1 45 45 LEU HA H 1 5.350 0.02 . . . . . . . . . . 5763 1 483 . 1 1 45 45 LEU CB C 13 46.380 0.2 . . . . . . . . . . 5763 1 484 . 1 1 45 45 LEU HB2 H 1 1.110 0.02 . . . . . . . . . . 5763 1 485 . 1 1 45 45 LEU HB3 H 1 1.900 0.02 . . . . . . . . . . 5763 1 486 . 1 1 45 45 LEU CG C 13 25.120 0.2 . . . . . . . . . . 5763 1 487 . 1 1 45 45 LEU HG H 1 1.110 0.02 . . . . . . . . . . 5763 1 488 . 1 1 45 45 LEU CD1 C 13 27.170 0.2 . . . . . . . . . . 5763 1 489 . 1 1 45 45 LEU HD11 H 1 0.800 0.02 . . . . . . . . . . 5763 1 490 . 1 1 45 45 LEU HD12 H 1 0.800 0.02 . . . . . . . . . . 5763 1 491 . 1 1 45 45 LEU HD13 H 1 0.800 0.02 . . . . . . . . . . 5763 1 492 . 1 1 45 45 LEU CD2 C 13 25.540 0.2 . . . . . . . . . . 5763 1 493 . 1 1 45 45 LEU HD21 H 1 0.940 0.02 . . . . . . . . . . 5763 1 494 . 1 1 45 45 LEU HD22 H 1 0.940 0.02 . . . . . . . . . . 5763 1 495 . 1 1 45 45 LEU HD23 H 1 0.940 0.02 . . . . . . . . . . 5763 1 496 . 1 1 46 46 ILE N N 15 120.729 0.2 . . . . . . . . . . 5763 1 497 . 1 1 46 46 ILE H H 1 8.607 0.02 . . . . . . . . . . 5763 1 498 . 1 1 46 46 ILE CA C 13 58.900 0.2 . . . . . . . . . . 5763 1 499 . 1 1 46 46 ILE HA H 1 4.600 0.02 . . . . . . . . . . 5763 1 500 . 1 1 46 46 ILE CB C 13 42.950 0.2 . . . . . . . . . . 5763 1 501 . 1 1 46 46 ILE HB H 1 1.690 0.02 . . . . . . . . . . 5763 1 502 . 1 1 46 46 ILE HG12 H 1 1.420 0.02 . . . . . . . . . . 5763 1 503 . 1 1 46 46 ILE CD1 C 13 15.520 0.2 . . . . . . . . . . 5763 1 504 . 1 1 46 46 ILE HD11 H 1 0.800 0.02 . . . . . . . . . . 5763 1 505 . 1 1 46 46 ILE HD12 H 1 0.800 0.02 . . . . . . . . . . 5763 1 506 . 1 1 46 46 ILE HD13 H 1 0.800 0.02 . . . . . . . . . . 5763 1 507 . 1 1 46 46 ILE CG2 C 13 17.600 0.2 . . . . . . . . . . 5763 1 508 . 1 1 46 46 ILE HG21 H 1 0.850 0.02 . . . . . . . . . . 5763 1 509 . 1 1 46 46 ILE HG22 H 1 0.850 0.02 . . . . . . . . . . 5763 1 510 . 1 1 46 46 ILE HG23 H 1 0.850 0.02 . . . . . . . . . . 5763 1 511 . 1 1 47 47 LYS N N 15 125.115 0.2 . . . . . . . . . . 5763 1 512 . 1 1 47 47 LYS H H 1 9.021 0.02 . . . . . . . . . . 5763 1 513 . 1 1 47 47 LYS CA C 13 53.700 0.2 . . . . . . . . . . 5763 1 514 . 1 1 47 47 LYS HA H 1 5.317 0.02 . . . . . . . . . . 5763 1 515 . 1 1 47 47 LYS CB C 13 35.598 0.2 . . . . . . . . . . 5763 1 516 . 1 1 47 47 LYS HB2 H 1 1.530 0.02 . . . . . . . . . . 5763 1 517 . 1 1 47 47 LYS HB3 H 1 1.530 0.02 . . . . . . . . . . 5763 1 518 . 1 1 47 47 LYS CG C 13 25.550 0.2 . . . . . . . . . . 5763 1 519 . 1 1 47 47 LYS HG2 H 1 1.390 0.02 . . . . . . . . . . 5763 1 520 . 1 1 47 47 LYS HG3 H 1 1.390 0.02 . . . . . . . . . . 5763 1 521 . 1 1 48 48 VAL N N 15 125.344 0.2 . . . . . . . . . . 5763 1 522 . 1 1 48 48 VAL H H 1 9.487 0.02 . . . . . . . . . . 5763 1 523 . 1 1 48 48 VAL CA C 13 59.800 0.2 . . . . . . . . . . 5763 1 524 . 1 1 48 48 VAL HA H 1 4.630 0.02 . . . . . . . . . . 5763 1 525 . 1 1 48 48 VAL CB C 13 34.561 0.2 . . . . . . . . . . 5763 1 526 . 1 1 48 48 VAL HB H 1 1.920 0.02 . . . . . . . . . . 5763 1 527 . 1 1 48 48 VAL CG2 C 13 20.733 0.2 . . . . . . . . . . 5763 1 528 . 1 1 48 48 VAL HG21 H 1 0.770 0.02 . . . . . . . . . . 5763 1 529 . 1 1 48 48 VAL HG22 H 1 0.770 0.02 . . . . . . . . . . 5763 1 530 . 1 1 48 48 VAL HG23 H 1 0.770 0.02 . . . . . . . . . . 5763 1 531 . 1 1 48 48 VAL CG1 C 13 21.360 0.2 . . . . . . . . . . 5763 1 532 . 1 1 48 48 VAL HG11 H 1 0.720 0.02 . . . . . . . . . . 5763 1 533 . 1 1 48 48 VAL HG12 H 1 0.720 0.02 . . . . . . . . . . 5763 1 534 . 1 1 48 48 VAL HG13 H 1 0.720 0.02 . . . . . . . . . . 5763 1 535 . 1 1 49 49 HIS N N 15 126.336 0.2 . . . . . . . . . . 5763 1 536 . 1 1 49 49 HIS H H 1 8.704 0.02 . . . . . . . . . . 5763 1 537 . 1 1 49 49 HIS CA C 13 53.219 0.2 . . . . . . . . . . 5763 1 538 . 1 1 49 49 HIS HA H 1 5.614 0.02 . . . . . . . . . . 5763 1 539 . 1 1 49 49 HIS CB C 13 32.800 0.2 . . . . . . . . . . 5763 1 540 . 1 1 49 49 HIS HB2 H 1 3.170 0.02 . . . . . . . . . . 5763 1 541 . 1 1 49 49 HIS HB3 H 1 2.843 0.02 . . . . . . . . . . 5763 1 542 . 1 1 50 50 VAL N N 15 129.013 0.2 . . . . . . . . . . 5763 1 543 . 1 1 50 50 VAL H H 1 9.190 0.02 . . . . . . . . . . 5763 1 544 . 1 1 50 50 VAL CA C 13 61.512 0.2 . . . . . . . . . . 5763 1 545 . 1 1 50 50 VAL HA H 1 4.230 0.02 . . . . . . . . . . 5763 1 546 . 1 1 50 50 VAL CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 547 . 1 1 50 50 VAL HB H 1 1.909 0.02 . . . . . . . . . . 5763 1 548 . 1 1 50 50 VAL CG2 C 13 21.733 0.2 . . . . . . . . . . 5763 1 549 . 1 1 50 50 VAL HG21 H 1 0.832 0.02 . . . . . . . . . . 5763 1 550 . 1 1 50 50 VAL HG22 H 1 0.832 0.02 . . . . . . . . . . 5763 1 551 . 1 1 50 50 VAL HG23 H 1 0.832 0.02 . . . . . . . . . . 5763 1 552 . 1 1 50 50 VAL CG1 C 13 21.364 0.2 . . . . . . . . . . 5763 1 553 . 1 1 50 50 VAL HG11 H 1 0.731 0.02 . . . . . . . . . . 5763 1 554 . 1 1 50 50 VAL HG12 H 1 0.731 0.02 . . . . . . . . . . 5763 1 555 . 1 1 50 50 VAL HG13 H 1 0.731 0.02 . . . . . . . . . . 5763 1 556 . 1 1 51 51 LEU N N 15 126.469 0.2 . . . . . . . . . . 5763 1 557 . 1 1 51 51 LEU H H 1 8.322 0.02 . . . . . . . . . . 5763 1 558 . 1 1 51 51 LEU CA C 13 55.292 0.2 . . . . . . . . . . 5763 1 559 . 1 1 51 51 LEU HA H 1 3.939 0.02 . . . . . . . . . . 5763 1 560 . 1 1 51 51 LEU CB C 13 42.154 0.2 . . . . . . . . . . 5763 1 561 . 1 1 51 51 LEU HB2 H 1 1.780 0.02 . . . . . . . . . . 5763 1 562 . 1 1 51 51 LEU HB3 H 1 1.480 0.02 . . . . . . . . . . 5763 1 563 . 1 1 51 51 LEU CG C 13 26.500 0.2 . . . . . . . . . . 5763 1 564 . 1 1 51 51 LEU HG H 1 1.360 0.02 . . . . . . . . . . 5763 1 565 . 1 1 51 51 LEU CD1 C 13 22.308 0.2 . . . . . . . . . . 5763 1 566 . 1 1 51 51 LEU HD11 H 1 0.600 0.02 . . . . . . . . . . 5763 1 567 . 1 1 51 51 LEU HD12 H 1 0.600 0.02 . . . . . . . . . . 5763 1 568 . 1 1 51 51 LEU HD13 H 1 0.600 0.02 . . . . . . . . . . 5763 1 569 . 1 1 51 51 LEU CD2 C 13 24.700 0.2 . . . . . . . . . . 5763 1 570 . 1 1 51 51 LEU HD21 H 1 0.770 0.02 . . . . . . . . . . 5763 1 571 . 1 1 51 51 LEU HD22 H 1 0.770 0.02 . . . . . . . . . . 5763 1 572 . 1 1 51 51 LEU HD23 H 1 0.770 0.02 . . . . . . . . . . 5763 1 573 . 1 1 52 52 GLN N N 15 118.007 0.2 . . . . . . . . . . 5763 1 574 . 1 1 52 52 GLN H H 1 8.252 0.02 . . . . . . . . . . 5763 1 575 . 1 1 52 52 GLN CA C 13 57.365 0.2 . . . . . . . . . . 5763 1 576 . 1 1 52 52 GLN HA H 1 4.100 0.02 . . . . . . . . . . 5763 1 577 . 1 1 52 52 GLN CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 578 . 1 1 52 52 GLN HB2 H 1 2.030 0.02 . . . . . . . . . . 5763 1 579 . 1 1 52 52 GLN HB3 H 1 2.030 0.02 . . . . . . . . . . 5763 1 580 . 1 1 52 52 GLN CG C 13 33.610 0.2 . . . . . . . . . . 5763 1 581 . 1 1 52 52 GLN HG2 H 1 2.367 0.02 . . . . . . . . . . 5763 1 582 . 1 1 52 52 GLN HG3 H 1 2.367 0.02 . . . . . . . . . . 5763 1 583 . 1 1 52 52 GLN NE2 N 15 112.300 0.2 . . . . . . . . . . 5763 1 584 . 1 1 52 52 GLN HE21 H 1 7.530 0.02 . . . . . . . . . . 5763 1 585 . 1 1 52 52 GLN HE22 H 1 6.820 0.02 . . . . . . . . . . 5763 1 586 . 1 1 53 53 ASN N N 15 115.604 0.2 . . . . . . . . . . 5763 1 587 . 1 1 53 53 ASN H H 1 7.748 0.02 . . . . . . . . . . 5763 1 588 . 1 1 53 53 ASN CA C 13 52.183 0.2 . . . . . . . . . . 5763 1 589 . 1 1 53 53 ASN HA H 1 4.450 0.02 . . . . . . . . . . 5763 1 590 . 1 1 53 53 ASN CB C 13 37.671 0.2 . . . . . . . . . . 5763 1 591 . 1 1 53 53 ASN HB2 H 1 2.660 0.02 . . . . . . . . . . 5763 1 592 . 1 1 53 53 ASN HB3 H 1 2.890 0.02 . . . . . . . . . . 5763 1 593 . 1 1 53 53 ASN ND2 N 15 110.190 0.2 . . . . . . . . . . 5763 1 594 . 1 1 53 53 ASN HD21 H 1 7.460 0.02 . . . . . . . . . . 5763 1 595 . 1 1 53 53 ASN HD22 H 1 6.680 0.02 . . . . . . . . . . 5763 1 596 . 1 1 54 54 ASN N N 15 117.807 0.2 . . . . . . . . . . 5763 1 597 . 1 1 54 54 ASN H H 1 7.570 0.02 . . . . . . . . . . 5763 1 598 . 1 1 54 54 ASN CA C 13 53.219 0.2 . . . . . . . . . . 5763 1 599 . 1 1 54 54 ASN HA H 1 4.469 0.02 . . . . . . . . . . 5763 1 600 . 1 1 54 54 ASN CB C 13 39.744 0.2 . . . . . . . . . . 5763 1 601 . 1 1 54 54 ASN HB2 H 1 2.174 0.02 . . . . . . . . . . 5763 1 602 . 1 1 54 54 ASN HB3 H 1 2.660 0.02 . . . . . . . . . . 5763 1 603 . 1 1 54 54 ASN ND2 N 15 111.780 0.2 . . . . . . . . . . 5763 1 604 . 1 1 54 54 ASN HD21 H 1 7.130 0.02 . . . . . . . . . . 5763 1 605 . 1 1 54 54 ASN HD22 H 1 7.080 0.02 . . . . . . . . . . 5763 1 606 . 1 1 55 55 PHE N N 15 123.986 0.2 . . . . . . . . . . 5763 1 607 . 1 1 55 55 PHE H H 1 8.477 0.02 . . . . . . . . . . 5763 1 608 . 1 1 55 55 PHE CA C 13 57.365 0.2 . . . . . . . . . . 5763 1 609 . 1 1 55 55 PHE HA H 1 4.590 0.02 . . . . . . . . . . 5763 1 610 . 1 1 55 55 PHE CB C 13 38.744 0.2 . . . . . . . . . . 5763 1 611 . 1 1 55 55 PHE HB2 H 1 3.297 0.02 . . . . . . . . . . 5763 1 612 . 1 1 55 55 PHE HB3 H 1 2.850 0.02 . . . . . . . . . . 5763 1 613 . 1 1 55 55 PHE HD1 H 1 7.120 0.02 . . . . . . . . . . 5763 1 614 . 1 1 55 55 PHE HE1 H 1 7.270 0.02 . . . . . . . . . . 5763 1 615 . 1 1 56 56 ASP N N 15 121.804 0.2 . . . . . . . . . . 5763 1 616 . 1 1 56 56 ASP H H 1 8.198 0.02 . . . . . . . . . . 5763 1 617 . 1 1 56 56 ASP CA C 13 54.500 0.2 . . . . . . . . . . 5763 1 618 . 1 1 56 56 ASP HA H 1 4.470 0.02 . . . . . . . . . . 5763 1 619 . 1 1 56 56 ASP CB C 13 40.781 0.2 . . . . . . . . . . 5763 1 620 . 1 1 56 56 ASP HB2 H 1 2.630 0.02 . . . . . . . . . . 5763 1 621 . 1 1 56 56 ASP HB3 H 1 2.700 0.02 . . . . . . . . . . 5763 1 622 . 1 1 57 57 ASP N N 15 121.090 0.2 . . . . . . . . . . 5763 1 623 . 1 1 57 57 ASP H H 1 8.459 0.02 . . . . . . . . . . 5763 1 624 . 1 1 57 57 ASP CA C 13 55.900 0.2 . . . . . . . . . . 5763 1 625 . 1 1 57 57 ASP HA H 1 4.490 0.02 . . . . . . . . . . 5763 1 626 . 1 1 57 57 ASP CB C 13 41.498 0.2 . . . . . . . . . . 5763 1 627 . 1 1 57 57 ASP HB2 H 1 2.710 0.02 . . . . . . . . . . 5763 1 628 . 1 1 57 57 ASP HB3 H 1 2.790 0.02 . . . . . . . . . . 5763 1 629 . 1 1 58 58 LYS N N 15 126.122 0.2 . . . . . . . . . . 5763 1 630 . 1 1 58 58 LYS H H 1 8.586 0.02 . . . . . . . . . . 5763 1 631 . 1 1 58 58 LYS CA C 13 59.439 0.2 . . . . . . . . . . 5763 1 632 . 1 1 58 58 LYS HA H 1 3.833 0.02 . . . . . . . . . . 5763 1 633 . 1 1 58 58 LYS CB C 13 32.790 0.2 . . . . . . . . . . 5763 1 634 . 1 1 58 58 LYS HB2 H 1 1.760 0.02 . . . . . . . . . . 5763 1 635 . 1 1 58 58 LYS HB3 H 1 1.660 0.02 . . . . . . . . . . 5763 1 636 . 1 1 58 58 LYS CG C 13 26.140 0.2 . . . . . . . . . . 5763 1 637 . 1 1 58 58 LYS HG2 H 1 1.320 0.02 . . . . . . . . . . 5763 1 638 . 1 1 58 58 LYS HG3 H 1 1.590 0.02 . . . . . . . . . . 5763 1 639 . 1 1 58 58 LYS HD2 H 1 1.640 0.02 . . . . . . . . . . 5763 1 640 . 1 1 58 58 LYS HD3 H 1 1.640 0.02 . . . . . . . . . . 5763 1 641 . 1 1 58 58 LYS HE2 H 1 2.930 0.02 . . . . . . . . . . 5763 1 642 . 1 1 58 58 LYS HE3 H 1 2.930 0.02 . . . . . . . . . . 5763 1 643 . 1 1 59 59 LYS N N 15 119.559 0.2 . . . . . . . . . . 5763 1 644 . 1 1 59 59 LYS H H 1 8.037 0.02 . . . . . . . . . . 5763 1 645 . 1 1 59 59 LYS CA C 13 59.439 0.2 . . . . . . . . . . 5763 1 646 . 1 1 59 59 LYS HA H 1 3.906 0.02 . . . . . . . . . . 5763 1 647 . 1 1 59 59 LYS CB C 13 31.452 0.2 . . . . . . . . . . 5763 1 648 . 1 1 59 59 LYS HB2 H 1 1.878 0.02 . . . . . . . . . . 5763 1 649 . 1 1 59 59 LYS HB3 H 1 1.878 0.02 . . . . . . . . . . 5763 1 650 . 1 1 59 59 LYS CG C 13 24.940 0.2 . . . . . . . . . . 5763 1 651 . 1 1 59 59 LYS HG2 H 1 1.270 0.02 . . . . . . . . . . 5763 1 652 . 1 1 59 59 LYS HG3 H 1 1.370 0.02 . . . . . . . . . . 5763 1 653 . 1 1 59 59 LYS CD C 13 28.760 0.2 . . . . . . . . . . 5763 1 654 . 1 1 59 59 LYS HD2 H 1 1.630 0.02 . . . . . . . . . . 5763 1 655 . 1 1 59 59 LYS HD3 H 1 1.630 0.02 . . . . . . . . . . 5763 1 656 . 1 1 59 59 LYS CE C 13 41.800 0.2 . . . . . . . . . . 5763 1 657 . 1 1 59 59 LYS HE2 H 1 2.940 0.02 . . . . . . . . . . 5763 1 658 . 1 1 60 60 GLU N N 15 120.307 0.2 . . . . . . . . . . 5763 1 659 . 1 1 60 60 GLU H H 1 7.873 0.02 . . . . . . . . . . 5763 1 660 . 1 1 60 60 GLU CA C 13 59.439 0.2 . . . . . . . . . . 5763 1 661 . 1 1 60 60 GLU HA H 1 4.070 0.02 . . . . . . . . . . 5763 1 662 . 1 1 60 60 GLU CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 663 . 1 1 60 60 GLU HB2 H 1 2.090 0.02 . . . . . . . . . . 5763 1 664 . 1 1 60 60 GLU HB3 H 1 2.090 0.02 . . . . . . . . . . 5763 1 665 . 1 1 60 60 GLU CG C 13 36.000 0.2 . . . . . . . . . . 5763 1 666 . 1 1 60 60 GLU HG2 H 1 2.320 0.02 . . . . . . . . . . 5763 1 667 . 1 1 60 60 GLU HG3 H 1 2.120 0.02 . . . . . . . . . . 5763 1 668 . 1 1 61 61 LEU N N 15 121.518 0.2 . . . . . . . . . . 5763 1 669 . 1 1 61 61 LEU H H 1 8.142 0.02 . . . . . . . . . . 5763 1 670 . 1 1 61 61 LEU CA C 13 57.602 0.2 . . . . . . . . . . 5763 1 671 . 1 1 61 61 LEU HA H 1 3.940 0.02 . . . . . . . . . . 5763 1 672 . 1 1 61 61 LEU CB C 13 42.154 0.2 . . . . . . . . . . 5763 1 673 . 1 1 61 61 LEU HB2 H 1 1.790 0.02 . . . . . . . . . . 5763 1 674 . 1 1 61 61 LEU HB3 H 1 1.320 0.02 . . . . . . . . . . 5763 1 675 . 1 1 61 61 LEU CG C 13 26.500 0.2 . . . . . . . . . . 5763 1 676 . 1 1 61 61 LEU HG H 1 1.530 0.02 . . . . . . . . . . 5763 1 677 . 1 1 61 61 LEU CD1 C 13 24.390 0.2 . . . . . . . . . . 5763 1 678 . 1 1 61 61 LEU HD11 H 1 0.760 0.02 . . . . . . . . . . 5763 1 679 . 1 1 61 61 LEU HD12 H 1 0.760 0.02 . . . . . . . . . . 5763 1 680 . 1 1 61 61 LEU HD13 H 1 0.760 0.02 . . . . . . . . . . 5763 1 681 . 1 1 61 61 LEU CD2 C 13 25.200 0.2 . . . . . . . . . . 5763 1 682 . 1 1 61 61 LEU HD21 H 1 0.760 0.02 . . . . . . . . . . 5763 1 683 . 1 1 61 61 LEU HD22 H 1 0.760 0.02 . . . . . . . . . . 5763 1 684 . 1 1 61 61 LEU HD23 H 1 0.760 0.02 . . . . . . . . . . 5763 1 685 . 1 1 62 62 ALA N N 15 120.557 0.2 . . . . . . . . . . 5763 1 686 . 1 1 62 62 ALA H H 1 8.179 0.02 . . . . . . . . . . 5763 1 687 . 1 1 62 62 ALA CA C 13 55.292 0.2 . . . . . . . . . . 5763 1 688 . 1 1 62 62 ALA HA H 1 3.730 0.02 . . . . . . . . . . 5763 1 689 . 1 1 62 62 ALA CB C 13 20.050 0.2 . . . . . . . . . . 5763 1 690 . 1 1 62 62 ALA HB1 H 1 1.460 0.02 . . . . . . . . . . 5763 1 691 . 1 1 62 62 ALA HB2 H 1 1.460 0.02 . . . . . . . . . . 5763 1 692 . 1 1 62 62 ALA HB3 H 1 1.460 0.02 . . . . . . . . . . 5763 1 693 . 1 1 63 63 GLU N N 15 119.447 0.2 . . . . . . . . . . 5763 1 694 . 1 1 63 63 GLU H H 1 8.286 0.02 . . . . . . . . . . 5763 1 695 . 1 1 63 63 GLU CA C 13 59.439 0.2 . . . . . . . . . . 5763 1 696 . 1 1 63 63 GLU HA H 1 3.950 0.02 . . . . . . . . . . 5763 1 697 . 1 1 63 63 GLU CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 698 . 1 1 63 63 GLU HB2 H 1 2.090 0.02 . . . . . . . . . . 5763 1 699 . 1 1 63 63 GLU HB3 H 1 2.020 0.02 . . . . . . . . . . 5763 1 700 . 1 1 63 63 GLU CG C 13 35.660 0.2 . . . . . . . . . . 5763 1 701 . 1 1 63 63 GLU HG2 H 1 2.390 0.02 . . . . . . . . . . 5763 1 702 . 1 1 63 63 GLU HG3 H 1 2.180 0.02 . . . . . . . . . . 5763 1 703 . 1 1 64 64 THR N N 15 117.695 0.2 . . . . . . . . . . 5763 1 704 . 1 1 64 64 THR H H 1 8.363 0.02 . . . . . . . . . . 5763 1 705 . 1 1 64 64 THR CA C 13 66.294 0.2 . . . . . . . . . . 5763 1 706 . 1 1 64 64 THR HA H 1 3.930 0.02 . . . . . . . . . . 5763 1 707 . 1 1 64 64 THR CB C 13 68.168 0.2 . . . . . . . . . . 5763 1 708 . 1 1 64 64 THR HB H 1 4.230 0.02 . . . . . . . . . . 5763 1 709 . 1 1 64 64 THR CG2 C 13 21.217 0.2 . . . . . . . . . . 5763 1 710 . 1 1 64 64 THR HG21 H 1 1.168 0.02 . . . . . . . . . . 5763 1 711 . 1 1 64 64 THR HG22 H 1 1.168 0.02 . . . . . . . . . . 5763 1 712 . 1 1 64 64 THR HG23 H 1 1.168 0.02 . . . . . . . . . . 5763 1 713 . 1 1 65 65 LEU N N 15 121.562 0.2 . . . . . . . . . . 5763 1 714 . 1 1 65 65 LEU H H 1 8.518 0.02 . . . . . . . . . . 5763 1 715 . 1 1 65 65 LEU CA C 13 57.800 0.2 . . . . . . . . . . 5763 1 716 . 1 1 65 65 LEU HA H 1 3.789 0.02 . . . . . . . . . . 5763 1 717 . 1 1 65 65 LEU CB C 13 42.854 0.2 . . . . . . . . . . 5763 1 718 . 1 1 65 65 LEU HB2 H 1 1.500 0.02 . . . . . . . . . . 5763 1 719 . 1 1 65 65 LEU HB3 H 1 1.580 0.02 . . . . . . . . . . 5763 1 720 . 1 1 65 65 LEU CG C 13 26.600 0.2 . . . . . . . . . . 5763 1 721 . 1 1 65 65 LEU HG H 1 1.400 0.02 . . . . . . . . . . 5763 1 722 . 1 1 65 65 LEU CD1 C 13 25.000 0.2 . . . . . . . . . . 5763 1 723 . 1 1 65 65 LEU HD11 H 1 0.600 0.02 . . . . . . . . . . 5763 1 724 . 1 1 65 65 LEU HD12 H 1 0.600 0.02 . . . . . . . . . . 5763 1 725 . 1 1 65 65 LEU HD13 H 1 0.600 0.02 . . . . . . . . . . 5763 1 726 . 1 1 65 65 LEU CD2 C 13 23.720 0.2 . . . . . . . . . . 5763 1 727 . 1 1 65 65 LEU HD21 H 1 0.630 0.02 . . . . . . . . . . 5763 1 728 . 1 1 65 65 LEU HD22 H 1 0.630 0.02 . . . . . . . . . . 5763 1 729 . 1 1 65 65 LEU HD23 H 1 0.630 0.02 . . . . . . . . . . 5763 1 730 . 1 1 66 66 SER N N 15 116.379 0.2 . . . . . . . . . . 5763 1 731 . 1 1 66 66 SER H H 1 8.212 0.02 . . . . . . . . . . 5763 1 732 . 1 1 66 66 SER CA C 13 60.475 0.2 . . . . . . . . . . 5763 1 733 . 1 1 66 66 SER HA H 1 3.980 0.02 . . . . . . . . . . 5763 1 734 . 1 1 66 66 SER CB C 13 61.590 0.2 . . . . . . . . . . 5763 1 735 . 1 1 66 66 SER HB2 H 1 3.600 0.02 . . . . . . . . . . 5763 1 736 . 1 1 66 66 SER HB3 H 1 3.820 0.02 . . . . . . . . . . 5763 1 737 . 1 1 67 67 GLU N N 15 122.419 0.2 . . . . . . . . . . 5763 1 738 . 1 1 67 67 GLU H H 1 8.064 0.02 . . . . . . . . . . 5763 1 739 . 1 1 67 67 GLU CA C 13 58.900 0.2 . . . . . . . . . . 5763 1 740 . 1 1 67 67 GLU HA H 1 4.110 0.02 . . . . . . . . . . 5763 1 741 . 1 1 67 67 GLU CB C 13 29.379 0.2 . . . . . . . . . . 5763 1 742 . 1 1 67 67 GLU HB2 H 1 2.100 0.02 . . . . . . . . . . 5763 1 743 . 1 1 67 67 GLU HB3 H 1 2.020 0.02 . . . . . . . . . . 5763 1 744 . 1 1 67 67 GLU CG C 13 36.000 0.2 . . . . . . . . . . 5763 1 745 . 1 1 67 67 GLU HG2 H 1 2.340 0.02 . . . . . . . . . . 5763 1 746 . 1 1 67 67 GLU HG3 H 1 2.210 0.02 . . . . . . . . . . 5763 1 747 . 1 1 68 68 ALA N N 15 119.667 0.2 . . . . . . . . . . 5763 1 748 . 1 1 68 68 ALA H H 1 8.235 0.02 . . . . . . . . . . 5763 1 749 . 1 1 68 68 ALA CA C 13 54.256 0.2 . . . . . . . . . . 5763 1 750 . 1 1 68 68 ALA HA H 1 4.180 0.02 . . . . . . . . . . 5763 1 751 . 1 1 68 68 ALA CB C 13 19.013 0.2 . . . . . . . . . . 5763 1 752 . 1 1 68 68 ALA HB1 H 1 1.470 0.02 . . . . . . . . . . 5763 1 753 . 1 1 68 68 ALA HB2 H 1 1.470 0.02 . . . . . . . . . . 5763 1 754 . 1 1 68 68 ALA HB3 H 1 1.470 0.02 . . . . . . . . . . 5763 1 755 . 1 1 69 69 THR N N 15 124.873 0.2 . . . . . . . . . . 5763 1 756 . 1 1 69 69 THR H H 1 7.226 0.02 . . . . . . . . . . 5763 1 757 . 1 1 69 69 THR CA C 13 60.000 0.2 . . . . . . . . . . 5763 1 758 . 1 1 69 69 THR HA H 1 4.249 0.02 . . . . . . . . . . 5763 1 759 . 1 1 69 69 THR CB C 13 69.804 0.2 . . . . . . . . . . 5763 1 760 . 1 1 69 69 THR HB H 1 4.190 0.02 . . . . . . . . . . 5763 1 761 . 1 1 69 69 THR CG2 C 13 21.950 0.2 . . . . . . . . . . 5763 1 762 . 1 1 69 69 THR HG21 H 1 0.990 0.02 . . . . . . . . . . 5763 1 763 . 1 1 69 69 THR HG22 H 1 0.990 0.02 . . . . . . . . . . 5763 1 764 . 1 1 69 69 THR HG23 H 1 0.990 0.02 . . . . . . . . . . 5763 1 765 . 1 1 70 70 ARG N N 15 118.818 0.2 . . . . . . . . . . 5763 1 766 . 1 1 70 70 ARG H H 1 7.573 0.02 . . . . . . . . . . 5763 1 767 . 1 1 70 70 ARG CA C 13 56.329 0.2 . . . . . . . . . . 5763 1 768 . 1 1 70 70 ARG HA H 1 4.018 0.02 . . . . . . . . . . 5763 1 769 . 1 1 70 70 ARG CB C 13 26.269 0.2 . . . . . . . . . . 5763 1 770 . 1 1 70 70 ARG HB2 H 1 1.800 0.02 . . . . . . . . . . 5763 1 771 . 1 1 70 70 ARG HB3 H 1 1.930 0.02 . . . . . . . . . . 5763 1 772 . 1 1 70 70 ARG CG C 13 26.900 0.2 . . . . . . . . . . 5763 1 773 . 1 1 70 70 ARG HG2 H 1 1.500 0.02 . . . . . . . . . . 5763 1 774 . 1 1 70 70 ARG HG3 H 1 1.500 0.02 . . . . . . . . . . 5763 1 775 . 1 1 70 70 ARG CD C 13 43.000 0.2 . . . . . . . . . . 5763 1 776 . 1 1 70 70 ARG HD2 H 1 3.120 0.02 . . . . . . . . . . 5763 1 777 . 1 1 70 70 ARG HD3 H 1 3.200 0.02 . . . . . . . . . . 5763 1 778 . 1 1 71 71 SER N N 15 112.269 0.2 . . . . . . . . . . 5763 1 779 . 1 1 71 71 SER H H 1 8.656 0.02 . . . . . . . . . . 5763 1 780 . 1 1 71 71 SER CA C 13 56.329 0.2 . . . . . . . . . . 5763 1 781 . 1 1 71 71 SER HA H 1 4.691 0.02 . . . . . . . . . . 5763 1 782 . 1 1 71 71 SER CB C 13 66.694 0.2 . . . . . . . . . . 5763 1 783 . 1 1 71 71 SER HB2 H 1 3.400 0.02 . . . . . . . . . . 5763 1 784 . 1 1 71 71 SER HB3 H 1 3.550 0.02 . . . . . . . . . . 5763 1 785 . 1 1 72 72 GLU N N 15 118.020 0.2 . . . . . . . . . . 5763 1 786 . 1 1 72 72 GLU H H 1 9.445 0.02 . . . . . . . . . . 5763 1 787 . 1 1 72 72 GLU CA C 13 54.256 0.2 . . . . . . . . . . 5763 1 788 . 1 1 72 72 GLU HA H 1 4.627 0.02 . . . . . . . . . . 5763 1 789 . 1 1 72 72 GLU CB C 13 31.452 0.2 . . . . . . . . . . 5763 1 790 . 1 1 72 72 GLU HB2 H 1 1.928 0.02 . . . . . . . . . . 5763 1 791 . 1 1 72 72 GLU HB3 H 1 1.928 0.02 . . . . . . . . . . 5763 1 792 . 1 1 72 72 GLU CG C 13 34.750 0.2 . . . . . . . . . . 5763 1 793 . 1 1 72 72 GLU HG2 H 1 2.418 0.02 . . . . . . . . . . 5763 1 794 . 1 1 72 72 GLU HG3 H 1 2.280 0.02 . . . . . . . . . . 5763 1 795 . 1 1 73 73 LEU N N 15 124.174 0.2 . . . . . . . . . . 5763 1 796 . 1 1 73 73 LEU H H 1 8.799 0.02 . . . . . . . . . . 5763 1 797 . 1 1 73 73 LEU CA C 13 54.690 0.2 . . . . . . . . . . 5763 1 798 . 1 1 73 73 LEU HA H 1 4.374 0.02 . . . . . . . . . . 5763 1 799 . 1 1 73 73 LEU CB C 13 41.470 0.2 . . . . . . . . . . 5763 1 800 . 1 1 73 73 LEU HB2 H 1 1.810 0.02 . . . . . . . . . . 5763 1 801 . 1 1 73 73 LEU HB3 H 1 1.354 0.02 . . . . . . . . . . 5763 1 802 . 1 1 73 73 LEU CG C 13 27.300 0.2 . . . . . . . . . . 5763 1 803 . 1 1 73 73 LEU HG H 1 1.398 0.02 . . . . . . . . . . 5763 1 804 . 1 1 73 73 LEU CD1 C 13 25.540 0.2 . . . . . . . . . . 5763 1 805 . 1 1 73 73 LEU HD11 H 1 0.751 0.02 . . . . . . . . . . 5763 1 806 . 1 1 73 73 LEU HD12 H 1 0.751 0.02 . . . . . . . . . . 5763 1 807 . 1 1 73 73 LEU HD13 H 1 0.751 0.02 . . . . . . . . . . 5763 1 808 . 1 1 73 73 LEU CD2 C 13 24.840 0.2 . . . . . . . . . . 5763 1 809 . 1 1 73 73 LEU HD21 H 1 0.787 0.02 . . . . . . . . . . 5763 1 810 . 1 1 73 73 LEU HD22 H 1 0.787 0.02 . . . . . . . . . . 5763 1 811 . 1 1 73 73 LEU HD23 H 1 0.787 0.02 . . . . . . . . . . 5763 1 812 . 1 1 74 74 VAL N N 15 129.760 0.2 . . . . . . . . . . 5763 1 813 . 1 1 74 74 VAL H H 1 8.887 0.02 . . . . . . . . . . 5763 1 814 . 1 1 74 74 VAL CA C 13 64.221 0.2 . . . . . . . . . . 5763 1 815 . 1 1 74 74 VAL HA H 1 3.640 0.02 . . . . . . . . . . 5763 1 816 . 1 1 74 74 VAL CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 817 . 1 1 74 74 VAL HB H 1 1.650 0.02 . . . . . . . . . . 5763 1 818 . 1 1 74 74 VAL CG2 C 13 22.040 0.2 . . . . . . . . . . 5763 1 819 . 1 1 74 74 VAL HG21 H 1 0.678 0.02 . . . . . . . . . . 5763 1 820 . 1 1 74 74 VAL HG22 H 1 0.678 0.02 . . . . . . . . . . 5763 1 821 . 1 1 74 74 VAL HG23 H 1 0.678 0.02 . . . . . . . . . . 5763 1 822 . 1 1 74 74 VAL CG1 C 13 23.827 0.2 . . . . . . . . . . 5763 1 823 . 1 1 74 74 VAL HG11 H 1 0.823 0.02 . . . . . . . . . . 5763 1 824 . 1 1 74 74 VAL HG12 H 1 0.823 0.02 . . . . . . . . . . 5763 1 825 . 1 1 74 74 VAL HG13 H 1 0.823 0.02 . . . . . . . . . . 5763 1 826 . 1 1 75 75 GLN N N 15 116.035 0.2 . . . . . . . . . . 5763 1 827 . 1 1 75 75 GLN H H 1 7.526 0.02 . . . . . . . . . . 5763 1 828 . 1 1 75 75 GLN CA C 13 55.810 0.2 . . . . . . . . . . 5763 1 829 . 1 1 75 75 GLN HA H 1 4.399 0.02 . . . . . . . . . . 5763 1 830 . 1 1 75 75 GLN CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 831 . 1 1 75 75 GLN HB2 H 1 1.750 0.02 . . . . . . . . . . 5763 1 832 . 1 1 75 75 GLN HB3 H 1 1.750 0.02 . . . . . . . . . . 5763 1 833 . 1 1 75 75 GLN CG C 13 33.400 0.2 . . . . . . . . . . 5763 1 834 . 1 1 75 75 GLN HG2 H 1 1.820 0.02 . . . . . . . . . . 5763 1 835 . 1 1 75 75 GLN HG3 H 1 1.820 0.02 . . . . . . . . . . 5763 1 836 . 1 1 75 75 GLN NE2 N 15 110.080 0.2 . . . . . . . . . . 5763 1 837 . 1 1 75 75 GLN HE21 H 1 7.430 0.02 . . . . . . . . . . 5763 1 838 . 1 1 75 75 GLN HE22 H 1 6.770 0.02 . . . . . . . . . . 5763 1 839 . 1 1 76 76 VAL N N 15 125.026 0.2 . . . . . . . . . . 5763 1 840 . 1 1 76 76 VAL H H 1 8.457 0.02 . . . . . . . . . . 5763 1 841 . 1 1 76 76 VAL CA C 13 62.548 0.2 . . . . . . . . . . 5763 1 842 . 1 1 76 76 VAL HA H 1 4.710 0.02 . . . . . . . . . . 5763 1 843 . 1 1 76 76 VAL CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 844 . 1 1 76 76 VAL HB H 1 1.990 0.02 . . . . . . . . . . 5763 1 845 . 1 1 76 76 VAL CG2 C 13 22.090 0.2 . . . . . . . . . . 5763 1 846 . 1 1 76 76 VAL HG21 H 1 0.840 0.02 . . . . . . . . . . 5763 1 847 . 1 1 76 76 VAL HG22 H 1 0.840 0.02 . . . . . . . . . . 5763 1 848 . 1 1 76 76 VAL HG23 H 1 0.840 0.02 . . . . . . . . . . 5763 1 849 . 1 1 76 76 VAL CG1 C 13 20.409 0.2 . . . . . . . . . . 5763 1 850 . 1 1 76 76 VAL HG11 H 1 0.752 0.02 . . . . . . . . . . 5763 1 851 . 1 1 76 76 VAL HG12 H 1 0.752 0.02 . . . . . . . . . . 5763 1 852 . 1 1 76 76 VAL HG13 H 1 0.752 0.02 . . . . . . . . . . 5763 1 853 . 1 1 77 77 ILE N N 15 127.051 0.2 . . . . . . . . . . 5763 1 854 . 1 1 77 77 ILE H H 1 8.873 0.02 . . . . . . . . . . 5763 1 855 . 1 1 77 77 ILE CA C 13 58.402 0.2 . . . . . . . . . . 5763 1 856 . 1 1 77 77 ILE HA H 1 4.530 0.02 . . . . . . . . . . 5763 1 857 . 1 1 77 77 ILE CB C 13 39.744 0.2 . . . . . . . . . . 5763 1 858 . 1 1 77 77 ILE HB H 1 1.650 0.02 . . . . . . . . . . 5763 1 859 . 1 1 77 77 ILE CG1 C 13 28.120 0.2 . . . . . . . . . . 5763 1 860 . 1 1 77 77 ILE HG12 H 1 1.040 0.02 . . . . . . . . . . 5763 1 861 . 1 1 77 77 ILE HG13 H 1 1.350 0.02 . . . . . . . . . . 5763 1 862 . 1 1 77 77 ILE CD1 C 13 12.900 0.2 . . . . . . . . . . 5763 1 863 . 1 1 77 77 ILE HD11 H 1 0.840 0.02 . . . . . . . . . . 5763 1 864 . 1 1 77 77 ILE HD12 H 1 0.840 0.02 . . . . . . . . . . 5763 1 865 . 1 1 77 77 ILE HD13 H 1 0.840 0.02 . . . . . . . . . . 5763 1 866 . 1 1 77 77 ILE CG2 C 13 15.800 0.2 . . . . . . . . . . 5763 1 867 . 1 1 77 77 ILE HG21 H 1 0.790 0.02 . . . . . . . . . . 5763 1 868 . 1 1 77 77 ILE HG22 H 1 0.790 0.02 . . . . . . . . . . 5763 1 869 . 1 1 77 77 ILE HG23 H 1 0.790 0.02 . . . . . . . . . . 5763 1 870 . 1 1 78 78 GLY N N 15 119.869 0.2 . . . . . . . . . . 5763 1 871 . 1 1 78 78 GLY H H 1 9.093 0.02 . . . . . . . . . . 5763 1 872 . 1 1 78 78 GLY CA C 13 47.000 0.2 . . . . . . . . . . 5763 1 873 . 1 1 78 78 GLY HA2 H 1 3.668 0.02 . . . . . . . . . . 5763 1 874 . 1 1 78 78 GLY HA3 H 1 3.972 0.02 . . . . . . . . . . 5763 1 875 . 1 1 79 79 SER N N 15 122.773 0.2 . . . . . . . . . . 5763 1 876 . 1 1 79 79 SER H H 1 8.809 0.02 . . . . . . . . . . 5763 1 877 . 1 1 79 79 SER CA C 13 58.000 0.2 . . . . . . . . . . 5763 1 878 . 1 1 79 79 SER HA H 1 4.385 0.02 . . . . . . . . . . 5763 1 879 . 1 1 79 79 SER CB C 13 63.585 0.2 . . . . . . . . . . 5763 1 880 . 1 1 79 79 SER HB2 H 1 4.270 0.02 . . . . . . . . . . 5763 1 881 . 1 1 79 79 SER HB3 H 1 4.270 0.02 . . . . . . . . . . 5763 1 882 . 1 1 80 80 MET N N 15 118.785 0.2 . . . . . . . . . . 5763 1 883 . 1 1 80 80 MET H H 1 8.298 0.02 . . . . . . . . . . 5763 1 884 . 1 1 80 80 MET CA C 13 53.019 0.2 . . . . . . . . . . 5763 1 885 . 1 1 80 80 MET HA H 1 5.500 0.02 . . . . . . . . . . 5763 1 886 . 1 1 80 80 MET CB C 13 33.525 0.2 . . . . . . . . . . 5763 1 887 . 1 1 80 80 MET HB2 H 1 2.339 0.02 . . . . . . . . . . 5763 1 888 . 1 1 80 80 MET HB3 H 1 1.560 0.02 . . . . . . . . . . 5763 1 889 . 1 1 80 80 MET CG C 13 32.860 0.2 . . . . . . . . . . 5763 1 890 . 1 1 80 80 MET HG2 H 1 2.660 0.02 . . . . . . . . . . 5763 1 891 . 1 1 80 80 MET HG3 H 1 2.660 0.02 . . . . . . . . . . 5763 1 892 . 1 1 80 80 MET CE C 13 17.890 0.2 . . . . . . . . . . 5763 1 893 . 1 1 80 80 MET HE1 H 1 1.750 0.02 . . . . . . . . . . 5763 1 894 . 1 1 80 80 MET HE2 H 1 1.750 0.02 . . . . . . . . . . 5763 1 895 . 1 1 80 80 MET HE3 H 1 1.750 0.02 . . . . . . . . . . 5763 1 896 . 1 1 81 81 ILE N N 15 122.673 0.2 . . . . . . . . . . 5763 1 897 . 1 1 81 81 ILE H H 1 9.107 0.02 . . . . . . . . . . 5763 1 898 . 1 1 81 81 ILE CA C 13 60.175 0.2 . . . . . . . . . . 5763 1 899 . 1 1 81 81 ILE HA H 1 4.530 0.02 . . . . . . . . . . 5763 1 900 . 1 1 81 81 ILE CB C 13 41.817 0.2 . . . . . . . . . . 5763 1 901 . 1 1 81 81 ILE HB H 1 1.510 0.02 . . . . . . . . . . 5763 1 902 . 1 1 81 81 ILE CG1 C 13 27.200 0.2 . . . . . . . . . . 5763 1 903 . 1 1 81 81 ILE HG12 H 1 1.540 0.02 . . . . . . . . . . 5763 1 904 . 1 1 81 81 ILE HG13 H 1 1.540 0.02 . . . . . . . . . . 5763 1 905 . 1 1 81 81 ILE CD1 C 13 14.100 0.2 . . . . . . . . . . 5763 1 906 . 1 1 81 81 ILE HD11 H 1 0.550 0.02 . . . . . . . . . . 5763 1 907 . 1 1 81 81 ILE HD12 H 1 0.550 0.02 . . . . . . . . . . 5763 1 908 . 1 1 81 81 ILE HD13 H 1 0.550 0.02 . . . . . . . . . . 5763 1 909 . 1 1 81 81 ILE CG2 C 13 17.190 0.2 . . . . . . . . . . 5763 1 910 . 1 1 81 81 ILE HG21 H 1 0.745 0.02 . . . . . . . . . . 5763 1 911 . 1 1 81 81 ILE HG22 H 1 0.745 0.02 . . . . . . . . . . 5763 1 912 . 1 1 81 81 ILE HG23 H 1 0.745 0.02 . . . . . . . . . . 5763 1 913 . 1 1 82 82 VAL N N 15 126.928 0.2 . . . . . . . . . . 5763 1 914 . 1 1 82 82 VAL H H 1 8.838 0.02 . . . . . . . . . . 5763 1 915 . 1 1 82 82 VAL CA C 13 60.475 0.2 . . . . . . . . . . 5763 1 916 . 1 1 82 82 VAL HA H 1 5.139 0.02 . . . . . . . . . . 5763 1 917 . 1 1 82 82 VAL CB C 13 33.525 0.2 . . . . . . . . . . 5763 1 918 . 1 1 82 82 VAL HB H 1 1.858 0.02 . . . . . . . . . . 5763 1 919 . 1 1 82 82 VAL CG2 C 13 20.794 0.2 . . . . . . . . . . 5763 1 920 . 1 1 82 82 VAL HG21 H 1 0.788 0.02 . . . . . . . . . . 5763 1 921 . 1 1 82 82 VAL HG22 H 1 0.788 0.02 . . . . . . . . . . 5763 1 922 . 1 1 82 82 VAL HG23 H 1 0.788 0.02 . . . . . . . . . . 5763 1 923 . 1 1 82 82 VAL CG1 C 13 22.040 0.2 . . . . . . . . . . 5763 1 924 . 1 1 82 82 VAL HG11 H 1 0.711 0.02 . . . . . . . . . . 5763 1 925 . 1 1 82 82 VAL HG12 H 1 0.711 0.02 . . . . . . . . . . 5763 1 926 . 1 1 82 82 VAL HG13 H 1 0.711 0.02 . . . . . . . . . . 5763 1 927 . 1 1 83 83 ILE N N 15 122.800 0.2 . . . . . . . . . . 5763 1 928 . 1 1 83 83 ILE H H 1 8.743 0.02 . . . . . . . . . . 5763 1 929 . 1 1 83 83 ILE CA C 13 59.439 0.2 . . . . . . . . . . 5763 1 930 . 1 1 83 83 ILE HA H 1 5.318 0.02 . . . . . . . . . . 5763 1 931 . 1 1 83 83 ILE CB C 13 41.817 0.2 . . . . . . . . . . 5763 1 932 . 1 1 83 83 ILE HB H 1 1.760 0.02 . . . . . . . . . . 5763 1 933 . 1 1 83 83 ILE CD1 C 13 13.070 0.2 . . . . . . . . . . 5763 1 934 . 1 1 83 83 ILE HD11 H 1 0.550 0.02 . . . . . . . . . . 5763 1 935 . 1 1 83 83 ILE HD12 H 1 0.550 0.02 . . . . . . . . . . 5763 1 936 . 1 1 83 83 ILE HD13 H 1 0.550 0.02 . . . . . . . . . . 5763 1 937 . 1 1 83 83 ILE CG2 C 13 18.110 0.2 . . . . . . . . . . 5763 1 938 . 1 1 83 83 ILE HG21 H 1 0.650 0.02 . . . . . . . . . . 5763 1 939 . 1 1 83 83 ILE HG22 H 1 0.650 0.02 . . . . . . . . . . 5763 1 940 . 1 1 83 83 ILE HG23 H 1 0.650 0.02 . . . . . . . . . . 5763 1 941 . 1 1 84 84 TYR N N 15 121.156 0.2 . . . . . . . . . . 5763 1 942 . 1 1 84 84 TYR H H 1 8.647 0.02 . . . . . . . . . . 5763 1 943 . 1 1 84 84 TYR CA C 13 55.290 0.2 . . . . . . . . . . 5763 1 944 . 1 1 84 84 TYR HA H 1 6.130 0.02 . . . . . . . . . . 5763 1 945 . 1 1 84 84 TYR CB C 13 44.927 0.2 . . . . . . . . . . 5763 1 946 . 1 1 84 84 TYR HB2 H 1 2.200 0.02 . . . . . . . . . . 5763 1 947 . 1 1 84 84 TYR HB3 H 1 2.910 0.02 . . . . . . . . . . 5763 1 948 . 1 1 84 84 TYR CE1 C 13 116.800 0.2 . . . . . . . . . . 5763 1 949 . 1 1 84 84 TYR HD1 H 1 6.630 0.02 . . . . . . . . . . 5763 1 950 . 1 1 84 84 TYR CD1 C 13 132.820 0.2 . . . . . . . . . . 5763 1 951 . 1 1 84 84 TYR HE1 H 1 6.750 0.02 . . . . . . . . . . 5763 1 952 . 1 1 84 84 TYR CD2 C 13 132.820 0.2 . . . . . . . . . . 5763 1 953 . 1 1 84 84 TYR HE2 H 1 6.750 0.02 . . . . . . . . . . 5763 1 954 . 1 1 84 84 TYR CE2 C 13 116.800 0.2 . . . . . . . . . . 5763 1 955 . 1 1 84 84 TYR HD2 H 1 6.630 0.02 . . . . . . . . . . 5763 1 956 . 1 1 85 85 ARG N N 15 130.353 0.2 . . . . . . . . . . 5763 1 957 . 1 1 85 85 ARG H H 1 8.537 0.02 . . . . . . . . . . 5763 1 958 . 1 1 85 85 ARG CA C 13 55.292 0.2 . . . . . . . . . . 5763 1 959 . 1 1 85 85 ARG HA H 1 3.799 0.02 . . . . . . . . . . 5763 1 960 . 1 1 85 85 ARG CB C 13 36.635 0.2 . . . . . . . . . . 5763 1 961 . 1 1 85 85 ARG HB2 H 1 1.810 0.02 . . . . . . . . . . 5763 1 962 . 1 1 85 85 ARG HB3 H 1 1.810 0.02 . . . . . . . . . . 5763 1 963 . 1 1 85 85 ARG CG C 13 26.050 0.2 . . . . . . . . . . 5763 1 964 . 1 1 85 85 ARG HG2 H 1 1.280 0.02 . . . . . . . . . . 5763 1 965 . 1 1 85 85 ARG HG3 H 1 1.280 0.02 . . . . . . . . . . 5763 1 966 . 1 1 85 85 ARG CD C 13 43.200 0.2 . . . . . . . . . . 5763 1 967 . 1 1 85 85 ARG HD2 H 1 3.190 0.02 . . . . . . . . . . 5763 1 968 . 1 1 85 85 ARG HD3 H 1 3.190 0.02 . . . . . . . . . . 5763 1 969 . 1 1 85 85 ARG NE N 15 85.900 0.2 . . . . . . . . . . 5763 1 970 . 1 1 85 85 ARG HE H 1 6.840 0.02 . . . . . . . . . . 5763 1 971 . 1 1 86 86 GLU N N 15 129.291 0.2 . . . . . . . . . . 5763 1 972 . 1 1 86 86 GLU H H 1 8.275 0.02 . . . . . . . . . . 5763 1 973 . 1 1 86 86 GLU CA C 13 56.329 0.2 . . . . . . . . . . 5763 1 974 . 1 1 86 86 GLU HA H 1 3.920 0.02 . . . . . . . . . . 5763 1 975 . 1 1 86 86 GLU CB C 13 30.415 0.2 . . . . . . . . . . 5763 1 976 . 1 1 86 86 GLU HB2 H 1 1.750 0.02 . . . . . . . . . . 5763 1 977 . 1 1 86 86 GLU HB3 H 1 1.790 0.02 . . . . . . . . . . 5763 1 978 . 1 1 86 86 GLU CG C 13 36.200 0.2 . . . . . . . . . . 5763 1 979 . 1 1 86 86 GLU HG2 H 1 2.170 0.02 . . . . . . . . . . 5763 1 980 . 1 1 87 87 SER N N 15 126.600 0.2 . . . . . . . . . . 5763 1 981 . 1 1 87 87 SER H H 1 10.144 0.02 . . . . . . . . . . 5763 1 982 . 1 1 87 87 SER CA C 13 57.365 0.2 . . . . . . . . . . 5763 1 983 . 1 1 87 87 SER HA H 1 4.450 0.02 . . . . . . . . . . 5763 1 984 . 1 1 87 87 SER CB C 13 62.548 0.2 . . . . . . . . . . 5763 1 985 . 1 1 87 87 SER HB2 H 1 3.860 0.02 . . . . . . . . . . 5763 1 986 . 1 1 87 87 SER HB3 H 1 3.270 0.02 . . . . . . . . . . 5763 1 987 . 1 1 88 88 LYS N N 15 128.289 0.2 . . . . . . . . . . 5763 1 988 . 1 1 88 88 LYS H H 1 9.656 0.02 . . . . . . . . . . 5763 1 989 . 1 1 88 88 LYS CA C 13 58.402 0.2 . . . . . . . . . . 5763 1 990 . 1 1 88 88 LYS HA H 1 4.225 0.02 . . . . . . . . . . 5763 1 991 . 1 1 88 88 LYS CB C 13 32.120 0.2 . . . . . . . . . . 5763 1 992 . 1 1 88 88 LYS HB2 H 1 1.830 0.02 . . . . . . . . . . 5763 1 993 . 1 1 88 88 LYS HB3 H 1 1.910 0.02 . . . . . . . . . . 5763 1 994 . 1 1 88 88 LYS CG C 13 24.900 0.2 . . . . . . . . . . 5763 1 995 . 1 1 88 88 LYS HG2 H 1 1.460 0.02 . . . . . . . . . . 5763 1 996 . 1 1 88 88 LYS HG3 H 1 1.600 0.02 . . . . . . . . . . 5763 1 997 . 1 1 88 88 LYS CD C 13 28.400 0.2 . . . . . . . . . . 5763 1 998 . 1 1 88 88 LYS HD2 H 1 1.630 0.02 . . . . . . . . . . 5763 1 999 . 1 1 88 88 LYS HD3 H 1 1.630 0.02 . . . . . . . . . . 5763 1 1000 . 1 1 88 88 LYS CE C 13 41.700 0.2 . . . . . . . . . . 5763 1 1001 . 1 1 88 88 LYS HE2 H 1 2.950 0.02 . . . . . . . . . . 5763 1 1002 . 1 1 88 88 LYS HE3 H 1 2.950 0.02 . . . . . . . . . . 5763 1 1003 . 1 1 89 89 GLU N N 15 116.983 0.2 . . . . . . . . . . 5763 1 1004 . 1 1 89 89 GLU H H 1 8.756 0.02 . . . . . . . . . . 5763 1 1005 . 1 1 89 89 GLU CA C 13 56.329 0.2 . . . . . . . . . . 5763 1 1006 . 1 1 89 89 GLU HA H 1 4.442 0.02 . . . . . . . . . . 5763 1 1007 . 1 1 89 89 GLU CB C 13 31.452 0.2 . . . . . . . . . . 5763 1 1008 . 1 1 89 89 GLU HB2 H 1 1.780 0.02 . . . . . . . . . . 5763 1 1009 . 1 1 89 89 GLU HB3 H 1 1.780 0.02 . . . . . . . . . . 5763 1 1010 . 1 1 89 89 GLU CG C 13 35.600 0.2 . . . . . . . . . . 5763 1 1011 . 1 1 89 89 GLU HG2 H 1 2.060 0.02 . . . . . . . . . . 5763 1 1012 . 1 1 89 89 GLU HG3 H 1 2.230 0.02 . . . . . . . . . . 5763 1 1013 . 1 1 90 90 ASN N N 15 120.841 0.2 . . . . . . . . . . 5763 1 1014 . 1 1 90 90 ASN H H 1 8.436 0.02 . . . . . . . . . . 5763 1 1015 . 1 1 90 90 ASN CA C 13 51.183 0.2 . . . . . . . . . . 5763 1 1016 . 1 1 90 90 ASN HA H 1 4.936 0.02 . . . . . . . . . . 5763 1 1017 . 1 1 90 90 ASN CB C 13 39.044 0.2 . . . . . . . . . . 5763 1 1018 . 1 1 90 90 ASN HB2 H 1 2.594 0.02 . . . . . . . . . . 5763 1 1019 . 1 1 90 90 ASN HB3 H 1 2.872 0.02 . . . . . . . . . . 5763 1 1020 . 1 1 90 90 ASN ND2 N 15 114.600 0.2 . . . . . . . . . . 5763 1 1021 . 1 1 90 90 ASN HD21 H 1 7.500 0.02 . . . . . . . . . . 5763 1 1022 . 1 1 90 90 ASN HD22 H 1 6.820 0.02 . . . . . . . . . . 5763 1 1023 . 1 1 91 91 LYS N N 15 122.543 0.2 . . . . . . . . . . 5763 1 1024 . 1 1 91 91 LYS H H 1 7.952 0.02 . . . . . . . . . . 5763 1 1025 . 1 1 91 91 LYS CA C 13 58.402 0.2 . . . . . . . . . . 5763 1 1026 . 1 1 91 91 LYS HA H 1 4.305 0.02 . . . . . . . . . . 5763 1 1027 . 1 1 91 91 LYS CB C 13 32.488 0.2 . . . . . . . . . . 5763 1 1028 . 1 1 91 91 LYS HB2 H 1 1.685 0.02 . . . . . . . . . . 5763 1 1029 . 1 1 91 91 LYS HB3 H 1 1.685 0.02 . . . . . . . . . . 5763 1 1030 . 1 1 91 91 LYS CG C 13 24.970 0.2 . . . . . . . . . . 5763 1 1031 . 1 1 91 91 LYS HG2 H 1 1.150 0.02 . . . . . . . . . . 5763 1 1032 . 1 1 91 91 LYS HG3 H 1 1.730 0.02 . . . . . . . . . . 5763 1 1033 . 1 1 91 91 LYS HE3 H 1 2.940 0.02 . . . . . . . . . . 5763 1 1034 . 1 1 92 92 GLU N N 15 128.980 0.2 . . . . . . . . . . 5763 1 1035 . 1 1 92 92 GLU H H 1 9.112 0.02 . . . . . . . . . . 5763 1 1036 . 1 1 92 92 GLU CA C 13 56.550 0.2 . . . . . . . . . . 5763 1 1037 . 1 1 92 92 GLU HA H 1 4.520 0.02 . . . . . . . . . . 5763 1 1038 . 1 1 92 92 GLU CB C 13 32.088 0.2 . . . . . . . . . . 5763 1 1039 . 1 1 92 92 GLU HB2 H 1 2.084 0.02 . . . . . . . . . . 5763 1 1040 . 1 1 92 92 GLU HB3 H 1 1.950 0.02 . . . . . . . . . . 5763 1 1041 . 1 1 92 92 GLU CG C 13 35.200 0.2 . . . . . . . . . . 5763 1 1042 . 1 1 92 92 GLU HG2 H 1 2.290 0.02 . . . . . . . . . . 5763 1 1043 . 1 1 92 92 GLU HG3 H 1 2.180 0.02 . . . . . . . . . . 5763 1 1044 . 1 1 93 93 ILE N N 15 123.064 0.2 . . . . . . . . . . 5763 1 1045 . 1 1 93 93 ILE H H 1 8.919 0.02 . . . . . . . . . . 5763 1 1046 . 1 1 93 93 ILE CA C 13 62.548 0.2 . . . . . . . . . . 5763 1 1047 . 1 1 93 93 ILE HA H 1 3.997 0.02 . . . . . . . . . . 5763 1 1048 . 1 1 93 93 ILE CB C 13 38.708 0.2 . . . . . . . . . . 5763 1 1049 . 1 1 93 93 ILE HB H 1 1.990 0.02 . . . . . . . . . . 5763 1 1050 . 1 1 93 93 ILE CG1 C 13 28.570 0.2 . . . . . . . . . . 5763 1 1051 . 1 1 93 93 ILE HG12 H 1 1.850 0.02 . . . . . . . . . . 5763 1 1052 . 1 1 93 93 ILE HG13 H 1 1.080 0.02 . . . . . . . . . . 5763 1 1053 . 1 1 93 93 ILE CD1 C 13 14.960 0.2 . . . . . . . . . . 5763 1 1054 . 1 1 93 93 ILE HD11 H 1 0.951 0.02 . . . . . . . . . . 5763 1 1055 . 1 1 93 93 ILE HD12 H 1 0.951 0.02 . . . . . . . . . . 5763 1 1056 . 1 1 93 93 ILE HD13 H 1 0.951 0.02 . . . . . . . . . . 5763 1 1057 . 1 1 93 93 ILE CG2 C 13 17.176 0.2 . . . . . . . . . . 5763 1 1058 . 1 1 93 93 ILE HG21 H 1 0.774 0.02 . . . . . . . . . . 5763 1 1059 . 1 1 93 93 ILE HG22 H 1 0.774 0.02 . . . . . . . . . . 5763 1 1060 . 1 1 93 93 ILE HG23 H 1 0.774 0.02 . . . . . . . . . . 5763 1 1061 . 1 1 94 94 GLU N N 15 130.700 0.2 . . . . . . . . . . 5763 1 1062 . 1 1 94 94 GLU H H 1 8.790 0.02 . . . . . . . . . . 5763 1 1063 . 1 1 94 94 GLU CA C 13 54.256 0.2 . . . . . . . . . . 5763 1 1064 . 1 1 94 94 GLU HA H 1 4.459 0.02 . . . . . . . . . . 5763 1 1065 . 1 1 94 94 GLU CB C 13 30.415 0.2 . . . . . . . . . . 5763 1 1066 . 1 1 94 94 GLU HB2 H 1 1.850 0.02 . . . . . . . . . . 5763 1 1067 . 1 1 94 94 GLU HB3 H 1 1.770 0.02 . . . . . . . . . . 5763 1 1068 . 1 1 94 94 GLU CG C 13 35.100 0.2 . . . . . . . . . . 5763 1 1069 . 1 1 94 94 GLU HG2 H 1 2.010 0.02 . . . . . . . . . . 5763 1 1070 . 1 1 94 94 GLU HG3 H 1 2.110 0.02 . . . . . . . . . . 5763 1 1071 . 1 1 95 95 LEU N N 15 124.549 0.2 . . . . . . . . . . 5763 1 1072 . 1 1 95 95 LEU H H 1 8.425 0.02 . . . . . . . . . . 5763 1 1073 . 1 1 95 95 LEU CA C 13 52.183 0.2 . . . . . . . . . . 5763 1 1074 . 1 1 95 95 LEU HA H 1 4.175 0.02 . . . . . . . . . . 5763 1 1075 . 1 1 95 95 LEU CB C 13 41.817 0.2 . . . . . . . . . . 5763 1 1076 . 1 1 95 95 LEU HB2 H 1 1.570 0.02 . . . . . . . . . . 5763 1 1077 . 1 1 95 95 LEU HB3 H 1 1.040 0.02 . . . . . . . . . . 5763 1 1078 . 1 1 95 95 LEU CG C 13 26.730 0.2 . . . . . . . . . . 5763 1 1079 . 1 1 95 95 LEU HG H 1 1.530 0.02 . . . . . . . . . . 5763 1 1080 . 1 1 95 95 LEU CD1 C 13 23.467 0.2 . . . . . . . . . . 5763 1 1081 . 1 1 95 95 LEU HD11 H 1 0.519 0.02 . . . . . . . . . . 5763 1 1082 . 1 1 95 95 LEU HD12 H 1 0.519 0.02 . . . . . . . . . . 5763 1 1083 . 1 1 95 95 LEU HD13 H 1 0.519 0.02 . . . . . . . . . . 5763 1 1084 . 1 1 95 95 LEU CD2 C 13 25.812 0.2 . . . . . . . . . . 5763 1 1085 . 1 1 95 95 LEU HD21 H 1 0.693 0.02 . . . . . . . . . . 5763 1 1086 . 1 1 95 95 LEU HD22 H 1 0.693 0.02 . . . . . . . . . . 5763 1 1087 . 1 1 95 95 LEU HD23 H 1 0.693 0.02 . . . . . . . . . . 5763 1 1088 . 1 1 96 96 PRO CA C 13 62.490 0.2 . . . . . . . . . . 5763 1 1089 . 1 1 96 96 PRO HA H 1 4.150 0.02 . . . . . . . . . . 5763 1 1090 . 1 1 96 96 PRO CB C 13 31.850 0.2 . . . . . . . . . . 5763 1 1091 . 1 1 96 96 PRO HB2 H 1 2.020 0.02 . . . . . . . . . . 5763 1 1092 . 1 1 96 96 PRO HB3 H 1 1.540 0.02 . . . . . . . . . . 5763 1 1093 . 1 1 96 96 PRO CG C 13 27.000 0.2 . . . . . . . . . . 5763 1 1094 . 1 1 96 96 PRO HG2 H 1 1.570 0.02 . . . . . . . . . . 5763 1 1095 . 1 1 96 96 PRO HG3 H 1 1.570 0.02 . . . . . . . . . . 5763 1 1096 . 1 1 96 96 PRO CD C 13 50.020 0.2 . . . . . . . . . . 5763 1 1097 . 1 1 96 96 PRO HD2 H 1 2.840 0.02 . . . . . . . . . . 5763 1 stop_ save_