data_18403 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18403 _Entry.Title ; 1H,13C and 15N resonance assignment of the UIM-SH3 construct of the STAM2 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-16 _Entry.Accession_date 2012-04-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anja Lange . . . 18403 2 Mouhamad-Baligh Ismail . . . 18403 3 Gwladys Riviere . . . 18403 4 Maggy Hologne . . . 18403 5 Florence Guilliere . . . 18403 6 Jean-Marc Lancelin . . . 18403 7 Isabelle Krimm . . . 18403 8 Olivier Walker . . . 18403 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18403 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 194 18403 '15N chemical shifts' 104 18403 '1H chemical shifts' 104 18403 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-07-10 2012-04-16 update BMRB 'update entry citation' 18403 1 . . 2012-07-17 2012-04-16 original author 'original release' 18403 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18403 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22841719 _Citation.Full_citation . _Citation.Title 'Competitive binding of UBPY and ubiquitin to the STAM2 SH3 domain revealed by NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 586 _Citation.Journal_issue 19 _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 3379 _Citation.Page_last 3384 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Anja Lange . . . 18403 1 2 Mouhamad-Baligh Ismail . . . 18403 1 3 Gwladys Riviere . . . 18403 1 4 Maggy Hologne . . . 18403 1 5 Denis Lacabanne . . . 18403 1 6 Florence Guilliere . . . 18403 1 7 Jean-Marc Lancelin . . . 18403 1 8 Isabelle Krimm . . . 18403 1 9 Olivier Walker . . . 18403 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18403 _Assembly.ID 1 _Assembly.Name 'UIM-SH3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UIM-SH3 monomer' 1 $UIM-SH3_domains_of_STAM2 A . yes native no no . . . 18403 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UIM-SH3_domains_of_STAM2 _Entity.Sf_category entity _Entity.Sf_framecode UIM-SH3_domains_of_STAM2 _Entity.Entry_ID 18403 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UIM-SH3_domains_of_STAM2 _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 ; GAMGMNKNKEDEDIAKAIEL SLQEQKQQHTETKSLYPSSE IQLNNKVARKVRALYDFEAV EDNELTFKHGEIIIVLDDSD ANWWKGENHRGIGLFPSDFV TTNLNIETE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X2Q . "Solution Structure Of The Sh3 Domain Of The Signal Transducing Adaptor Molecule 2" . . . . . 65.14 88 98.59 100.00 3.00e-43 . . . . 18403 1 2 no DBJ BAF84954 . "unnamed protein product [Homo sapiens]" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 3 no DBJ BAF85536 . "unnamed protein product [Homo sapiens]" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 4 no DBJ BAG72771 . "signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [synthetic construct]" . . . . . 95.41 525 100.00 100.00 1.31e-65 . . . . 18403 1 5 no DBJ BAK62690 . "signal transducing adapter molecule 2 [Pan troglodytes]" . . . . . 95.41 525 98.08 100.00 4.29e-64 . . . . 18403 1 6 no EMBL CAB63735 . "hypothetical protein [Homo sapiens]" . . . . . 95.41 525 100.00 100.00 1.31e-65 . . . . 18403 1 7 no EMBL CAL38297 . "hypothetical protein [synthetic construct]" . . . . . 95.41 525 100.00 100.00 1.31e-65 . . . . 18403 1 8 no GB AAC63963 . "signal transducing adaptor molecule 2A [Homo sapiens]" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 9 no GB AAC63964 . "signal transducing adaptor molecule 2B [Homo sapiens]" . . . . . 95.41 342 99.04 100.00 6.54e-66 . . . . 18403 1 10 no GB AAH28740 . "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [Homo sapiens]" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 11 no GB AAY14712 . "unknown [Homo sapiens]" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 12 no GB ABM83353 . "signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [synthetic construct]" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 13 no REF NP_001267210 . "signal transducing adapter molecule 2 [Pan troglodytes]" . . . . . 95.41 525 98.08 100.00 4.29e-64 . . . . 18403 1 14 no REF NP_005834 . "signal transducing adapter molecule 2 [Homo sapiens]" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 15 no REF XP_003275024 . "PREDICTED: signal transducing adapter molecule 2 [Nomascus leucogenys]" . . . . . 95.41 496 97.12 99.04 7.54e-64 . . . . 18403 1 16 no REF XP_003776054 . "PREDICTED: LOW QUALITY PROTEIN: signal transducing adapter molecule 2 [Pongo abelii]" . . . . . 95.41 533 99.04 100.00 7.03e-65 . . . . 18403 1 17 no REF XP_003832773 . "PREDICTED: signal transducing adapter molecule 2 [Pan paniscus]" . . . . . 95.41 525 98.08 100.00 4.42e-64 . . . . 18403 1 18 no SP O75886 . "RecName: Full=Signal transducing adapter molecule 2; Short=STAM-2; AltName: Full=Hrs-binding protein" . . . . . 95.41 525 99.04 100.00 7.25e-65 . . . . 18403 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18403 1 2 . ALA . 18403 1 3 . MET . 18403 1 4 . GLY . 18403 1 5 . MET . 18403 1 6 . ASN . 18403 1 7 . LYS . 18403 1 8 . ASN . 18403 1 9 . LYS . 18403 1 10 . GLU . 18403 1 11 . ASP . 18403 1 12 . GLU . 18403 1 13 . ASP . 18403 1 14 . ILE . 18403 1 15 . ALA . 18403 1 16 . LYS . 18403 1 17 . ALA . 18403 1 18 . ILE . 18403 1 19 . GLU . 18403 1 20 . LEU . 18403 1 21 . SER . 18403 1 22 . LEU . 18403 1 23 . GLN . 18403 1 24 . GLU . 18403 1 25 . GLN . 18403 1 26 . LYS . 18403 1 27 . GLN . 18403 1 28 . GLN . 18403 1 29 . HIS . 18403 1 30 . THR . 18403 1 31 . GLU . 18403 1 32 . THR . 18403 1 33 . LYS . 18403 1 34 . SER . 18403 1 35 . LEU . 18403 1 36 . TYR . 18403 1 37 . PRO . 18403 1 38 . SER . 18403 1 39 . SER . 18403 1 40 . GLU . 18403 1 41 . ILE . 18403 1 42 . GLN . 18403 1 43 . LEU . 18403 1 44 . ASN . 18403 1 45 . ASN . 18403 1 46 . LYS . 18403 1 47 . VAL . 18403 1 48 . ALA . 18403 1 49 . ARG . 18403 1 50 . LYS . 18403 1 51 . VAL . 18403 1 52 . ARG . 18403 1 53 . ALA . 18403 1 54 . LEU . 18403 1 55 . TYR . 18403 1 56 . ASP . 18403 1 57 . PHE . 18403 1 58 . GLU . 18403 1 59 . ALA . 18403 1 60 . VAL . 18403 1 61 . GLU . 18403 1 62 . ASP . 18403 1 63 . ASN . 18403 1 64 . GLU . 18403 1 65 . LEU . 18403 1 66 . THR . 18403 1 67 . PHE . 18403 1 68 . LYS . 18403 1 69 . HIS . 18403 1 70 . GLY . 18403 1 71 . GLU . 18403 1 72 . ILE . 18403 1 73 . ILE . 18403 1 74 . ILE . 18403 1 75 . VAL . 18403 1 76 . LEU . 18403 1 77 . ASP . 18403 1 78 . ASP . 18403 1 79 . SER . 18403 1 80 . ASP . 18403 1 81 . ALA . 18403 1 82 . ASN . 18403 1 83 . TRP . 18403 1 84 . TRP . 18403 1 85 . LYS . 18403 1 86 . GLY . 18403 1 87 . GLU . 18403 1 88 . ASN . 18403 1 89 . HIS . 18403 1 90 . ARG . 18403 1 91 . GLY . 18403 1 92 . ILE . 18403 1 93 . GLY . 18403 1 94 . LEU . 18403 1 95 . PHE . 18403 1 96 . PRO . 18403 1 97 . SER . 18403 1 98 . ASP . 18403 1 99 . PHE . 18403 1 100 . VAL . 18403 1 101 . THR . 18403 1 102 . THR . 18403 1 103 . ASN . 18403 1 104 . LEU . 18403 1 105 . ASN . 18403 1 106 . ILE . 18403 1 107 . GLU . 18403 1 108 . THR . 18403 1 109 . GLU . 18403 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18403 1 . ALA 2 2 18403 1 . MET 3 3 18403 1 . GLY 4 4 18403 1 . MET 5 5 18403 1 . ASN 6 6 18403 1 . LYS 7 7 18403 1 . ASN 8 8 18403 1 . LYS 9 9 18403 1 . GLU 10 10 18403 1 . ASP 11 11 18403 1 . GLU 12 12 18403 1 . ASP 13 13 18403 1 . ILE 14 14 18403 1 . ALA 15 15 18403 1 . LYS 16 16 18403 1 . ALA 17 17 18403 1 . ILE 18 18 18403 1 . GLU 19 19 18403 1 . LEU 20 20 18403 1 . SER 21 21 18403 1 . LEU 22 22 18403 1 . GLN 23 23 18403 1 . GLU 24 24 18403 1 . GLN 25 25 18403 1 . LYS 26 26 18403 1 . GLN 27 27 18403 1 . GLN 28 28 18403 1 . HIS 29 29 18403 1 . THR 30 30 18403 1 . GLU 31 31 18403 1 . THR 32 32 18403 1 . LYS 33 33 18403 1 . SER 34 34 18403 1 . LEU 35 35 18403 1 . TYR 36 36 18403 1 . PRO 37 37 18403 1 . SER 38 38 18403 1 . SER 39 39 18403 1 . GLU 40 40 18403 1 . ILE 41 41 18403 1 . GLN 42 42 18403 1 . LEU 43 43 18403 1 . ASN 44 44 18403 1 . ASN 45 45 18403 1 . LYS 46 46 18403 1 . VAL 47 47 18403 1 . ALA 48 48 18403 1 . ARG 49 49 18403 1 . LYS 50 50 18403 1 . VAL 51 51 18403 1 . ARG 52 52 18403 1 . ALA 53 53 18403 1 . LEU 54 54 18403 1 . TYR 55 55 18403 1 . ASP 56 56 18403 1 . PHE 57 57 18403 1 . GLU 58 58 18403 1 . ALA 59 59 18403 1 . VAL 60 60 18403 1 . GLU 61 61 18403 1 . ASP 62 62 18403 1 . ASN 63 63 18403 1 . GLU 64 64 18403 1 . LEU 65 65 18403 1 . THR 66 66 18403 1 . PHE 67 67 18403 1 . LYS 68 68 18403 1 . HIS 69 69 18403 1 . GLY 70 70 18403 1 . GLU 71 71 18403 1 . ILE 72 72 18403 1 . ILE 73 73 18403 1 . ILE 74 74 18403 1 . VAL 75 75 18403 1 . LEU 76 76 18403 1 . ASP 77 77 18403 1 . ASP 78 78 18403 1 . SER 79 79 18403 1 . ASP 80 80 18403 1 . ALA 81 81 18403 1 . ASN 82 82 18403 1 . TRP 83 83 18403 1 . TRP 84 84 18403 1 . LYS 85 85 18403 1 . GLY 86 86 18403 1 . GLU 87 87 18403 1 . ASN 88 88 18403 1 . HIS 89 89 18403 1 . ARG 90 90 18403 1 . GLY 91 91 18403 1 . ILE 92 92 18403 1 . GLY 93 93 18403 1 . LEU 94 94 18403 1 . PHE 95 95 18403 1 . PRO 96 96 18403 1 . SER 97 97 18403 1 . ASP 98 98 18403 1 . PHE 99 99 18403 1 . VAL 100 100 18403 1 . THR 101 101 18403 1 . THR 102 102 18403 1 . ASN 103 103 18403 1 . LEU 104 104 18403 1 . ASN 105 105 18403 1 . ILE 106 106 18403 1 . GLU 107 107 18403 1 . THR 108 108 18403 1 . GLU 109 109 18403 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 18403 _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 $UIM-SH3_domains_of_STAM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18403 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 18403 _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 $UIM-SH3_domains_of_STAM2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETEM-60 . . . . . . 18403 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18403 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UIM-SH3 domains of STAM2' '[U-13C; U-15N]' . . 1 $UIM-SH3_domains_of_STAM2 . . 200-400 . . uM . . . . 18403 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18403 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18403 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18403 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 18403 1 pH 6.8 . pH 18403 1 pressure 1 . atm 18403 1 temperature 288 . K 18403 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18403 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18403 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18403 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18403 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18403 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18403 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18403 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18403 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18403 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18403 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18403 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18403 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 18403 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18403 1 2 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18403 1 3 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18403 1 4 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18403 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18403 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18403 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 18403 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 18403 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 18403 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18403 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 18403 1 2 '3D HN(CO)CA' . . . 18403 1 3 '2D 1H-15N HSQC' . . . 18403 1 4 '3D 1H-13C NOESY' . . . 18403 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 177.89334 0.3 . 1 . . . . 2 ALA C . 18403 1 2 . 1 1 2 2 ALA CA C 13 52.74052 0.3 . 1 . . . . 2 ALA CA . 18403 1 3 . 1 1 3 3 MET H H 1 8.62304 0.02 . 1 . . . . 3 MET HN . 18403 1 4 . 1 1 3 3 MET C C 13 176.83229 0.3 . 1 . . . . 3 MET C . 18403 1 5 . 1 1 3 3 MET CA C 13 55.71634 0.3 . 1 . . . . 3 MET CA . 18403 1 6 . 1 1 3 3 MET N N 15 119.94584 0.3 . 1 . . . . 3 MET N . 18403 1 7 . 1 1 4 4 GLY H H 1 8.52514 0.02 . 1 . . . . 4 GLY HN . 18403 1 8 . 1 1 4 4 GLY C C 13 174.1949 0.3 . 1 . . . . 4 GLY C . 18403 1 9 . 1 1 4 4 GLY CA C 13 45.40749 0.3 . 1 . . . . 4 GLY CA . 18403 1 10 . 1 1 4 4 GLY N N 15 110.33929 0.3 . 1 . . . . 4 GLY N . 18403 1 11 . 1 1 5 5 MET H H 1 8.31538 0.02 . 1 . . . . 5 MET HN . 18403 1 12 . 1 1 5 5 MET C C 13 176.23381 0.3 . 1 . . . . 5 MET C . 18403 1 13 . 1 1 5 5 MET CA C 13 55.63688 0.3 . 1 . . . . 5 MET CA . 18403 1 14 . 1 1 5 5 MET N N 15 120.20618 0.3 . 1 . . . . 5 MET N . 18403 1 15 . 1 1 6 6 ASN H H 1 8.57947 0.02 . 1 . . . . 6 ASN HN . 18403 1 16 . 1 1 6 6 ASN CA C 13 53.58936 0.3 . 1 . . . . 6 ASN CA . 18403 1 17 . 1 1 6 6 ASN N N 15 119.82722 0.3 . 1 . . . . 6 ASN N . 18403 1 18 . 1 1 7 7 LYS H H 1 8.40141 0.02 . 1 . . . . 7 LYS HN . 18403 1 19 . 1 1 7 7 LYS C C 13 176.23381 0.3 . 1 . . . . 7 LYS C . 18403 1 20 . 1 1 7 7 LYS CA C 13 56.64683 0.3 . 1 . . . . 7 LYS CA . 18403 1 21 . 1 1 7 7 LYS N N 15 122.07221 0.3 . 1 . . . . 7 LYS N . 18403 1 22 . 1 1 8 8 ASN H H 1 8.57947 0.3 . 1 . . . . 8 ASN HN . 18403 1 23 . 1 1 8 8 ASN CA C 13 53.58936 0.02 . 1 . . . . 8 ASN CA . 18403 1 24 . 1 1 8 8 ASN N N 15 119.82722 0.3 . 1 . . . . 8 ASN N . 18403 1 25 . 1 1 9 9 LYS H H 1 8.38237 0.02 . 1 . . . . 9 LYS HN . 18403 1 26 . 1 1 9 9 LYS C C 13 176.9915 0.3 . 1 . . . . 9 LYS C . 18403 1 27 . 1 1 9 9 LYS CA C 13 57.40017 0.3 . 1 . . . . 9 LYS CA . 18403 1 28 . 1 1 9 9 LYS N N 15 122.17931 0.3 . 1 . . . . 9 LYS N . 18403 1 29 . 1 1 10 10 GLU H H 1 8.55396 0.02 . 1 . . . . 10 GLU HN . 18403 1 30 . 1 1 10 10 GLU C C 13 177.16068 0.3 . 1 . . . . 10 GLU C . 18403 1 31 . 1 1 10 10 GLU CA C 13 57.80513 0.3 . 1 . . . . 10 GLU CA . 18403 1 32 . 1 1 10 10 GLU N N 15 120.97373 0.3 . 1 . . . . 10 GLU N . 18403 1 33 . 1 1 11 11 ASP H H 1 8.31538 0.02 . 1 . . . . 11 ASP HN . 18403 1 34 . 1 1 11 11 ASP CA C 13 55.50688 0.3 . 1 . . . . 11 ASP CA . 18403 1 35 . 1 1 11 11 ASP N N 15 120.20618 0.3 . 1 . . . . 11 ASP N . 18403 1 36 . 1 1 12 12 GLU H H 1 8.2852 0.02 . 1 . . . . 12 GLU HN . 18403 1 37 . 1 1 12 12 GLU CA C 13 57.84125 0.3 . 1 . . . . 12 GLU CA . 18403 1 38 . 1 1 12 12 GLU N N 15 121.70395 0.3 . 1 . . . . 12 GLU N . 18403 1 39 . 1 1 13 13 ASP H H 1 8.44489 0.02 . 1 . . . . 13 ASP HN . 18403 1 40 . 1 1 13 13 ASP C C 13 177.85612 0.3 . 1 . . . . 13 ASP C . 18403 1 41 . 1 1 13 13 ASP CA C 13 55.70485 0.3 . 1 . . . . 13 ASP CA . 18403 1 42 . 1 1 13 13 ASP N N 15 121.37841 0.3 . 1 . . . . 13 ASP N . 18403 1 43 . 1 1 14 14 ILE H H 1 8.06118 0.02 . 1 . . . . 14 ILE HN . 18403 1 44 . 1 1 14 14 ILE C C 13 177.05408 0.3 . 1 . . . . 14 ILE C . 18403 1 45 . 1 1 14 14 ILE CA C 13 62.98746 0.3 . 1 . . . . 14 ILE CA . 18403 1 46 . 1 1 14 14 ILE N N 15 122.43052 0.3 . 1 . . . . 14 ILE N . 18403 1 47 . 1 1 15 15 ALA H H 1 8.1485 0.02 . 1 . . . . 15 ALA HN . 18403 1 48 . 1 1 15 15 ALA C C 13 179.38863 0.3 . 1 . . . . 15 ALA C . 18403 1 49 . 1 1 15 15 ALA CA C 13 54.11803 0.3 . 1 . . . . 15 ALA CA . 18403 1 50 . 1 1 15 15 ALA N N 15 124.66136 0.3 . 1 . . . . 15 ALA N . 18403 1 51 . 1 1 16 16 LYS H H 1 8.13938 0.02 . 1 . . . . 16 LYS HN . 18403 1 52 . 1 1 16 16 LYS C C 13 177.37636 0.3 . 1 . . . . 16 LYS C . 18403 1 53 . 1 1 16 16 LYS CA C 13 57.54819 0.3 . 1 . . . . 16 LYS CA . 18403 1 54 . 1 1 16 16 LYS N N 15 119.71185 0.3 . 1 . . . . 16 LYS N . 18403 1 55 . 1 1 17 17 ALA H H 1 8.0277 0.02 . 1 . . . . 17 ALA HN . 18403 1 56 . 1 1 17 17 ALA CA C 13 53.97977 0.3 . 1 . . . . 17 ALA CA . 18403 1 57 . 1 1 17 17 ALA N N 15 123.75627 0.3 . 1 . . . . 17 ALA N . 18403 1 58 . 1 1 18 18 ILE H H 1 8.13523 0.02 . 1 . . . . 18 ILE HN . 18403 1 59 . 1 1 18 18 ILE C C 13 177.51431 0.3 . 1 . . . . 18 ILE C . 18403 1 60 . 1 1 18 18 ILE CA C 13 63.07209 0.3 . 1 . . . . 18 ILE CA . 18403 1 61 . 1 1 18 18 ILE N N 15 120.53921 0.3 . 1 . . . . 18 ILE N . 18403 1 62 . 1 1 19 19 GLU H H 1 8.22359 0.02 . 1 . . . . 19 GLU HN . 18403 1 63 . 1 1 19 19 GLU CA C 13 58.15472 0.3 . 1 . . . . 19 GLU CA . 18403 1 64 . 1 1 19 19 GLU N N 15 123.17493 0.3 . 1 . . . . 19 GLU N . 18403 1 65 . 1 1 20 20 LEU H H 1 8.28031 0.02 . 1 . . . . 20 LEU HN . 18403 1 66 . 1 1 20 20 LEU C C 13 178.59863 0.3 . 1 . . . . 20 LEU C . 18403 1 67 . 1 1 20 20 LEU CA C 13 56.65505 0.3 . 1 . . . . 20 LEU CA . 18403 1 68 . 1 1 20 20 LEU N N 15 121.77396 0.3 . 1 . . . . 20 LEU N . 18403 1 69 . 1 1 21 21 SER H H 1 8.24869 0.02 . 1 . . . . 21 SER HN . 18403 1 70 . 1 1 21 21 SER C C 13 175.74709 0.3 . 1 . . . . 21 SER C . 18403 1 71 . 1 1 21 21 SER CA C 13 59.92688 0.3 . 1 . . . . 21 SER CA . 18403 1 72 . 1 1 21 21 SER N N 15 116.27406 0.3 . 1 . . . . 21 SER N . 18403 1 73 . 1 1 22 22 LEU H H 1 8.15963 0.02 . 1 . . . . 22 LEU HN . 18403 1 74 . 1 1 22 22 LEU C C 13 178.68048 0.3 . 1 . . . . 22 LEU C . 18403 1 75 . 1 1 22 22 LEU CA C 13 56.6888 0.3 . 1 . . . . 22 LEU CA . 18403 1 76 . 1 1 22 22 LEU N N 15 122.89203 0.3 . 1 . . . . 22 LEU N . 18403 1 77 . 1 1 23 23 GLN H H 1 8.11687 0.02 . 1 . . . . 23 GLN HN . 18403 1 78 . 1 1 23 23 GLN C C 13 177.28114 0.3 . 1 . . . . 23 GLN C . 18403 1 79 . 1 1 23 23 GLN CA C 13 57.35143 0.3 . 1 . . . . 23 GLN CA . 18403 1 80 . 1 1 23 23 GLN N N 15 119.30263 0.3 . 1 . . . . 23 GLN N . 18403 1 81 . 1 1 24 24 GLU H H 1 8.23453 0.02 . 1 . . . . 24 GLU HN . 18403 1 82 . 1 1 24 24 GLU CA C 13 57.74247 0.3 . 1 . . . . 24 GLU CA . 18403 1 83 . 1 1 24 24 GLU N N 15 120.73801 0.3 . 1 . . . . 24 GLU N . 18403 1 84 . 1 1 25 25 GLN H H 1 8.27333 0.02 . 1 . . . . 25 GLN HN . 18403 1 85 . 1 1 25 25 GLN C C 13 176.81943 0.3 . 1 . . . . 25 GLN C . 18403 1 86 . 1 1 25 25 GLN CA C 13 56.88106 0.3 . 1 . . . . 25 GLN CA . 18403 1 87 . 1 1 25 25 GLN N N 15 120.26885 0.3 . 1 . . . . 25 GLN N . 18403 1 88 . 1 1 26 26 LYS H H 1 8.18278 0.02 . 1 . . . . 26 LYS HN . 18403 1 89 . 1 1 26 26 LYS C C 13 177.14632 0.3 . 1 . . . . 26 LYS C . 18403 1 90 . 1 1 26 26 LYS CA C 13 57.1375 0.3 . 1 . . . . 26 LYS CA . 18403 1 91 . 1 1 26 26 LYS N N 15 121.26222 0.3 . 1 . . . . 26 LYS N . 18403 1 92 . 1 1 27 27 GLN H H 1 8.25483 0.02 . 1 . . . . 27 GLN HN . 18403 1 93 . 1 1 27 27 GLN C C 13 175.87268 0.3 . 1 . . . . 27 GLN C . 18403 1 94 . 1 1 27 27 GLN CA C 13 56.26152 0.3 . 1 . . . . 27 GLN CA . 18403 1 95 . 1 1 27 27 GLN N N 15 120.31802 0.3 . 1 . . . . 27 GLN N . 18403 1 96 . 1 1 28 28 GLN H H 1 8.44964 0.02 . 1 . . . . 28 GLN HN . 18403 1 97 . 1 1 28 28 GLN C C 13 176.17508 0.3 . 1 . . . . 28 GLN C . 18403 1 98 . 1 1 28 28 GLN CA C 13 56.22315 0.3 . 1 . . . . 28 GLN CA . 18403 1 99 . 1 1 28 28 GLN N N 15 120.43763 0.3 . 1 . . . . 28 GLN N . 18403 1 100 . 1 1 29 29 HIS H H 1 8.33189 0.02 . 1 . . . . 29 HIS HN . 18403 1 101 . 1 1 29 29 HIS C C 13 175.26627 0.3 . 1 . . . . 29 HIS C . 18403 1 102 . 1 1 29 29 HIS CA C 13 56.19708 0.3 . 1 . . . . 29 HIS CA . 18403 1 103 . 1 1 29 29 HIS N N 15 120.7674 0.3 . 1 . . . . 29 HIS N . 18403 1 104 . 1 1 30 30 THR H H 1 8.18942 0.02 . 1 . . . . 30 THR HN . 18403 1 105 . 1 1 30 30 THR C C 13 174.37619 0.3 . 1 . . . . 30 THR C . 18403 1 106 . 1 1 30 30 THR CA C 13 62.14653 0.3 . 1 . . . . 30 THR CA . 18403 1 107 . 1 1 30 30 THR N N 15 116.23256 0.3 . 1 . . . . 30 THR N . 18403 1 108 . 1 1 31 31 GLU H H 1 8.63207 0.02 . 1 . . . . 31 GLU HN . 18403 1 109 . 1 1 31 31 GLU CA C 13 56.69125 0.3 . 1 . . . . 31 GLU CA . 18403 1 110 . 1 1 31 31 GLU N N 15 123.79591 0.3 . 1 . . . . 31 GLU N . 18403 1 111 . 1 1 32 32 THR H H 1 8.34712 0.02 . 1 . . . . 32 THR HN . 18403 1 112 . 1 1 32 32 THR CA C 13 62.2684 0.3 . 1 . . . . 32 THR CA . 18403 1 113 . 1 1 32 32 THR N N 15 116.67563 0.3 . 1 . . . . 32 THR N . 18403 1 114 . 1 1 33 33 LYS H H 1 8.42707 0.02 . 1 . . . . 33 LYS HN . 18403 1 115 . 1 1 33 33 LYS C C 13 176.44397 0.3 . 1 . . . . 33 LYS C . 18403 1 116 . 1 1 33 33 LYS CA C 13 56.47437 0.3 . 1 . . . . 33 LYS CA . 18403 1 117 . 1 1 33 33 LYS N N 15 124.37875 0.3 . 1 . . . . 33 LYS N . 18403 1 118 . 1 1 34 34 SER H H 1 8.37029 0.02 . 1 . . . . 34 SER HN . 18403 1 119 . 1 1 34 34 SER C C 13 174.23357 0.3 . 1 . . . . 34 SER C . 18403 1 120 . 1 1 34 34 SER CA C 13 58.18116 0.3 . 1 . . . . 34 SER CA . 18403 1 121 . 1 1 34 34 SER N N 15 117.25562 0.3 . 1 . . . . 34 SER N . 18403 1 122 . 1 1 35 35 LEU H H 1 8.26036 0.02 . 1 . . . . 35 LEU HN . 18403 1 123 . 1 1 35 35 LEU CA C 13 55.36992 0.3 . 1 . . . . 35 LEU CA . 18403 1 124 . 1 1 35 35 LEU N N 15 124.20813 0.3 . 1 . . . . 35 LEU N . 18403 1 125 . 1 1 36 36 TYR H H 1 8.13617 0.02 . 1 . . . . 36 TYR HN . 18403 1 126 . 1 1 36 36 TYR C C 13 177.03722 0.3 . 1 . . . . 36 TYR C . 18403 1 127 . 1 1 36 36 TYR CA C 13 55.5704 0.3 . 1 . . . . 36 TYR CA . 18403 1 128 . 1 1 36 36 TYR N N 15 120.54448 0.3 . 1 . . . . 36 TYR N . 18403 1 129 . 1 1 37 37 PRO CA C 13 63.2545 0.3 . 1 . . . . 37 PRO CA . 18403 1 130 . 1 1 38 38 SER H H 1 8.51226 0.02 . 1 . . . . 38 SER HN . 18403 1 131 . 1 1 38 38 SER C C 13 174.87589 0.3 . 1 . . . . 38 SER C . 18403 1 132 . 1 1 38 38 SER CA C 13 58.5121 0.3 . 1 . . . . 38 SER CA . 18403 1 133 . 1 1 38 38 SER N N 15 116.45992 0.3 . 1 . . . . 38 SER N . 18403 1 134 . 1 1 39 39 SER H H 1 8.44966 0.02 . 1 . . . . 39 SER HN . 18403 1 135 . 1 1 39 39 SER C C 13 174.53642 0.3 . 1 . . . . 39 SER C . 18403 1 136 . 1 1 39 39 SER CA C 13 58.51969 0.3 . 1 . . . . 39 SER CA . 18403 1 137 . 1 1 39 39 SER N N 15 117.76657 0.3 . 1 . . . . 39 SER N . 18403 1 138 . 1 1 40 40 GLU H H 1 8.43962 0.02 . 1 . . . . 40 GLU HN . 18403 1 139 . 1 1 40 40 GLU C C 13 176.55313 0.3 . 1 . . . . 40 GLU C . 18403 1 140 . 1 1 40 40 GLU CA C 13 56.87554 0.3 . 1 . . . . 40 GLU CA . 18403 1 141 . 1 1 40 40 GLU N N 15 122.60368 0.3 . 1 . . . . 40 GLU N . 18403 1 142 . 1 1 41 41 ILE H H 1 8.11414 0.02 . 1 . . . . 41 ILE HN . 18403 1 143 . 1 1 41 41 ILE CA C 13 61.51329 0.3 . 1 . . . . 41 ILE CA . 18403 1 144 . 1 1 41 41 ILE N N 15 121.90081 0.3 . 1 . . . . 41 ILE N . 18403 1 145 . 1 1 42 42 GLN H H 1 8.45191 0.02 . 1 . . . . 42 GLN HN . 18403 1 146 . 1 1 42 42 GLN C C 13 175.95294 0.3 . 1 . . . . 42 GLN C . 18403 1 147 . 1 1 42 42 GLN CA C 13 55.82307 0.3 . 1 . . . . 42 GLN CA . 18403 1 148 . 1 1 42 42 GLN N N 15 124.4588 0.3 . 1 . . . . 42 GLN N . 18403 1 149 . 1 1 43 43 LEU H H 1 8.35595 0.02 . 1 . . . . 43 LEU HN . 18403 1 150 . 1 1 43 43 LEU C C 13 177.17894 0.3 . 1 . . . . 43 LEU C . 18403 1 151 . 1 1 43 43 LEU CA C 13 55.49179 0.3 . 1 . . . . 43 LEU CA . 18403 1 152 . 1 1 43 43 LEU N N 15 123.68263 0.3 . 1 . . . . 43 LEU N . 18403 1 153 . 1 1 44 44 ASN H H 1 8.4559 0.02 . 1 . . . . 44 ASN HN . 18403 1 154 . 1 1 44 44 ASN C C 13 174.87885 0.3 . 1 . . . . 44 ASN C . 18403 1 155 . 1 1 44 44 ASN CA C 13 53.43406 0.3 . 1 . . . . 44 ASN CA . 18403 1 156 . 1 1 44 44 ASN N N 15 118.8299 0.3 . 1 . . . . 44 ASN N . 18403 1 157 . 1 1 45 45 ASN H H 1 8.33445 0.02 . 1 . . . . 45 ASN HN . 18403 1 158 . 1 1 45 45 ASN C C 13 175.04478 0.3 . 1 . . . . 45 ASN C . 18403 1 159 . 1 1 45 45 ASN CA C 13 53.44353 0.3 . 1 . . . . 45 ASN CA . 18403 1 160 . 1 1 45 45 ASN N N 15 118.96552 0.3 . 1 . . . . 45 ASN N . 18403 1 161 . 1 1 46 46 LYS H H 1 8.24031 0.02 . 1 . . . . 46 LYS HN . 18403 1 162 . 1 1 46 46 LYS C C 13 176.37686 0.3 . 1 . . . . 46 LYS C . 18403 1 163 . 1 1 46 46 LYS CA C 13 56.54121 0.3 . 1 . . . . 46 LYS CA . 18403 1 164 . 1 1 46 46 LYS N N 15 121.54157 0.3 . 1 . . . . 46 LYS N . 18403 1 165 . 1 1 47 47 VAL H H 1 8.13383 0.02 . 1 . . . . 47 VAL HN . 18403 1 166 . 1 1 47 47 VAL C C 13 175.54144 0.3 . 1 . . . . 47 VAL C . 18403 1 167 . 1 1 47 47 VAL CA C 13 62.06156 0.3 . 1 . . . . 47 VAL CA . 18403 1 168 . 1 1 47 47 VAL N N 15 121.44569 0.3 . 1 . . . . 47 VAL N . 18403 1 169 . 1 1 48 48 ALA H H 1 8.3432 0.02 . 1 . . . . 48 ALA HN . 18403 1 170 . 1 1 48 48 ALA C C 13 176.80772 0.3 . 1 . . . . 48 ALA C . 18403 1 171 . 1 1 48 48 ALA CA C 13 52.4216 0.3 . 1 . . . . 48 ALA CA . 18403 1 172 . 1 1 48 48 ALA N N 15 128.6862 0.3 . 1 . . . . 48 ALA N . 18403 1 173 . 1 1 49 49 ARG H H 1 8.3423 0.02 . 1 . . . . 49 ARG HN . 18403 1 174 . 1 1 49 49 ARG CA C 13 55.62498 0.3 . 1 . . . . 49 ARG CA . 18403 1 175 . 1 1 49 49 ARG N N 15 121.62463 0.3 . 1 . . . . 49 ARG N . 18403 1 176 . 1 1 50 50 LYS H H 1 8.3844 0.02 . 1 . . . . 50 LYS HN . 18403 1 177 . 1 1 50 50 LYS C C 13 175.68103 0.3 . 1 . . . . 50 LYS C . 18403 1 178 . 1 1 50 50 LYS CA C 13 55.76348 0.3 . 1 . . . . 50 LYS CA . 18403 1 179 . 1 1 50 50 LYS N N 15 122.21918 0.3 . 1 . . . . 50 LYS N . 18403 1 180 . 1 1 51 51 VAL H H 1 8.88598 0.02 . 1 . . . . 51 VAL HN . 18403 1 181 . 1 1 51 51 VAL C C 13 172.83382 0.3 . 1 . . . . 51 VAL C . 18403 1 182 . 1 1 51 51 VAL CA C 13 59.00071 0.3 . 1 . . . . 51 VAL CA . 18403 1 183 . 1 1 51 51 VAL N N 15 113.28972 0.3 . 1 . . . . 51 VAL N . 18403 1 184 . 1 1 52 52 ARG H H 1 8.77425 0.02 . 1 . . . . 52 ARG HN . 18403 1 185 . 1 1 52 52 ARG C C 13 175.67014 0.3 . 1 . . . . 52 ARG C . 18403 1 186 . 1 1 52 52 ARG CA C 13 53.57537 0.3 . 1 . . . . 52 ARG CA . 18403 1 187 . 1 1 52 52 ARG N N 15 119.76001 0.3 . 1 . . . . 52 ARG N . 18403 1 188 . 1 1 53 53 ALA H H 1 8.88036 0.02 . 1 . . . . 53 ALA HN . 18403 1 189 . 1 1 53 53 ALA C C 13 179.15697 0.3 . 1 . . . . 53 ALA C . 18403 1 190 . 1 1 53 53 ALA CA C 13 52.77911 0.3 . 1 . . . . 53 ALA CA . 18403 1 191 . 1 1 53 53 ALA N N 15 127.25026 0.3 . 1 . . . . 53 ALA N . 18403 1 192 . 1 1 54 54 LEU H H 1 9.53772 0.02 . 1 . . . . 54 LEU HN . 18403 1 193 . 1 1 54 54 LEU C C 13 175.74474 0.3 . 1 . . . . 54 LEU C . 18403 1 194 . 1 1 54 54 LEU CA C 13 55.97061 0.3 . 1 . . . . 54 LEU CA . 18403 1 195 . 1 1 54 54 LEU N N 15 126.33112 0.3 . 1 . . . . 54 LEU N . 18403 1 196 . 1 1 55 55 TYR H H 1 7.00132 0.02 . 1 . . . . 55 TYR HN . 18403 1 197 . 1 1 55 55 TYR C C 13 173.46095 0.3 . 1 . . . . 55 TYR C . 18403 1 198 . 1 1 55 55 TYR CA C 13 53.90272 0.3 . 1 . . . . 55 TYR CA . 18403 1 199 . 1 1 55 55 TYR N N 15 113.51181 0.3 . 1 . . . . 55 TYR N . 18403 1 200 . 1 1 56 56 ASP H H 1 8.60435 0.02 . 1 . . . . 56 ASP HN . 18403 1 201 . 1 1 56 56 ASP C C 13 175.44753 0.3 . 1 . . . . 56 ASP C . 18403 1 202 . 1 1 56 56 ASP CA C 13 54.81855 0.3 . 1 . . . . 56 ASP CA . 18403 1 203 . 1 1 56 56 ASP N N 15 118.19489 0.3 . 1 . . . . 56 ASP N . 18403 1 204 . 1 1 57 57 PHE H H 1 8.44025 0.02 . 1 . . . . 57 PHE HN . 18403 1 205 . 1 1 57 57 PHE C C 13 172.29253 0.3 . 1 . . . . 57 PHE C . 18403 1 206 . 1 1 57 57 PHE CA C 13 58.02979 0.3 . 1 . . . . 57 PHE CA . 18403 1 207 . 1 1 57 57 PHE N N 15 121.86366 0.3 . 1 . . . . 57 PHE N . 18403 1 208 . 1 1 58 58 GLU H H 1 7.70201 0.02 . 1 . . . . 58 GLU HN . 18403 1 209 . 1 1 58 58 GLU C C 13 173.77292 0.3 . 1 . . . . 58 GLU C . 18403 1 210 . 1 1 58 58 GLU CA C 13 53.95382 0.3 . 1 . . . . 58 GLU CA . 18403 1 211 . 1 1 58 58 GLU N N 15 127.77963 0.3 . 1 . . . . 58 GLU N . 18403 1 212 . 1 1 59 59 ALA H H 1 7.75485 0.02 . 1 . . . . 59 ALA HN . 18403 1 213 . 1 1 59 59 ALA C C 13 177.88579 0.3 . 1 . . . . 59 ALA C . 18403 1 214 . 1 1 59 59 ALA CA C 13 53.31353 0.3 . 1 . . . . 59 ALA CA . 18403 1 215 . 1 1 59 59 ALA N N 15 127.06391 0.3 . 1 . . . . 59 ALA N . 18403 1 216 . 1 1 60 60 VAL H H 1 8.77444 0.02 . 1 . . . . 60 VAL HN . 18403 1 217 . 1 1 60 60 VAL C C 13 176.81523 0.3 . 1 . . . . 60 VAL C . 18403 1 218 . 1 1 60 60 VAL CA C 13 63.43355 0.3 . 1 . . . . 60 VAL CA . 18403 1 219 . 1 1 60 60 VAL N N 15 121.47728 0.3 . 1 . . . . 60 VAL N . 18403 1 220 . 1 1 61 61 GLU H H 1 7.75415 0.02 . 1 . . . . 61 GLU HN . 18403 1 221 . 1 1 61 61 GLU C C 13 177.9431 0.3 . 1 . . . . 61 GLU C . 18403 1 222 . 1 1 61 61 GLU CA C 13 54.22125 0.3 . 1 . . . . 61 GLU CA . 18403 1 223 . 1 1 61 61 GLU N N 15 119.14515 0.3 . 1 . . . . 61 GLU N . 18403 1 224 . 1 1 62 62 ASP H H 1 8.93732 0.02 . 1 . . . . 62 ASP HN . 18403 1 225 . 1 1 62 62 ASP C C 13 176.20326 0.3 . 1 . . . . 62 ASP C . 18403 1 226 . 1 1 62 62 ASP CA C 13 56.51317 0.3 . 1 . . . . 62 ASP CA . 18403 1 227 . 1 1 62 62 ASP N N 15 120.34333 0.3 . 1 . . . . 62 ASP N . 18403 1 228 . 1 1 63 63 ASN H H 1 7.948 0.02 . 1 . . . . 63 ASN HN . 18403 1 229 . 1 1 63 63 ASN C C 13 175.99104 0.3 . 1 . . . . 63 ASN C . 18403 1 230 . 1 1 63 63 ASN CA C 13 52.31793 0.3 . 1 . . . . 63 ASN CA . 18403 1 231 . 1 1 63 63 ASN N N 15 113.79606 0.3 . 1 . . . . 63 ASN N . 18403 1 232 . 1 1 64 64 GLU H H 1 7.48374 0.02 . 1 . . . . 64 GLU HN . 18403 1 233 . 1 1 64 64 GLU C C 13 175.26949 0.3 . 1 . . . . 64 GLU C . 18403 1 234 . 1 1 64 64 GLU CA C 13 55.7848 0.3 . 1 . . . . 64 GLU CA . 18403 1 235 . 1 1 64 64 GLU N N 15 119.90681 0.3 . 1 . . . . 64 GLU N . 18403 1 236 . 1 1 65 65 LEU H H 1 8.94614 0.02 . 1 . . . . 65 LEU HN . 18403 1 237 . 1 1 65 65 LEU C C 13 173.00574 0.3 . 1 . . . . 65 LEU C . 18403 1 238 . 1 1 65 65 LEU CA C 13 53.58546 0.3 . 1 . . . . 65 LEU CA . 18403 1 239 . 1 1 65 65 LEU N N 15 126.03877 0.3 . 1 . . . . 65 LEU N . 18403 1 240 . 1 1 66 66 THR H H 1 7.57256 0.02 . 1 . . . . 66 THR HN . 18403 1 241 . 1 1 66 66 THR C C 13 174.84399 0.3 . 1 . . . . 66 THR C . 18403 1 242 . 1 1 66 66 THR CA C 13 61.9253 0.3 . 1 . . . . 66 THR CA . 18403 1 243 . 1 1 66 66 THR N N 15 118.74744 0.3 . 1 . . . . 66 THR N . 18403 1 244 . 1 1 67 67 PHE H H 1 8.99736 0.02 . 1 . . . . 67 PHE HN . 18403 1 245 . 1 1 67 67 PHE C C 13 173.92702 0.3 . 1 . . . . 67 PHE C . 18403 1 246 . 1 1 67 67 PHE CA C 13 55.86916 0.3 . 1 . . . . 67 PHE CA . 18403 1 247 . 1 1 67 67 PHE N N 15 119.7775 0.3 . 1 . . . . 67 PHE N . 18403 1 248 . 1 1 68 68 LYS H H 1 8.16558 0.02 . 1 . . . . 68 LYS HN . 18403 1 249 . 1 1 68 68 LYS C C 13 175.88509 0.3 . 1 . . . . 68 LYS C . 18403 1 250 . 1 1 68 68 LYS CA C 13 52.90205 0.3 . 1 . . . . 68 LYS CA . 18403 1 251 . 1 1 68 68 LYS N N 15 118.70169 0.3 . 1 . . . . 68 LYS N . 18403 1 252 . 1 1 69 69 HIS H H 1 9.62568 0.02 . 1 . . . . 69 HIS HN . 18403 1 253 . 1 1 69 69 HIS C C 13 174.04393 0.3 . 1 . . . . 69 HIS C . 18403 1 254 . 1 1 69 69 HIS CA C 13 57.45095 0.3 . 1 . . . . 69 HIS CA . 18403 1 255 . 1 1 69 69 HIS N N 15 118.23248 0.3 . 1 . . . . 69 HIS N . 18403 1 256 . 1 1 70 70 GLY H H 1 8.76002 0.02 . 1 . . . . 70 GLY HN . 18403 1 257 . 1 1 70 70 GLY C C 13 174.33359 0.3 . 1 . . . . 70 GLY C . 18403 1 258 . 1 1 70 70 GLY CA C 13 45.27813 0.3 . 1 . . . . 70 GLY CA . 18403 1 259 . 1 1 70 70 GLY N N 15 112.24245 0.3 . 1 . . . . 70 GLY N . 18403 1 260 . 1 1 71 71 GLU H H 1 7.86213 0.02 . 1 . . . . 71 GLU HN . 18403 1 261 . 1 1 71 71 GLU C C 13 175.27702 0.3 . 1 . . . . 71 GLU C . 18403 1 262 . 1 1 71 71 GLU CA C 13 56.77919 0.3 . 1 . . . . 71 GLU CA . 18403 1 263 . 1 1 71 71 GLU N N 15 119.51727 0.3 . 1 . . . . 71 GLU N . 18403 1 264 . 1 1 72 72 ILE H H 1 8.3715 0.02 . 1 . . . . 72 ILE HN . 18403 1 265 . 1 1 72 72 ILE C C 13 176.82835 0.3 . 1 . . . . 72 ILE C . 18403 1 266 . 1 1 72 72 ILE CA C 13 58.50976 0.3 . 1 . . . . 72 ILE CA . 18403 1 267 . 1 1 72 72 ILE N N 15 119.67852 0.3 . 1 . . . . 72 ILE N . 18403 1 268 . 1 1 73 73 ILE H H 1 8.9054 0.02 . 1 . . . . 73 ILE HN . 18403 1 269 . 1 1 73 73 ILE CA C 13 60.55842 0.3 . 1 . . . . 73 ILE CA . 18403 1 270 . 1 1 73 73 ILE N N 15 129.70439 0.3 . 1 . . . . 73 ILE N . 18403 1 271 . 1 1 74 74 ILE H H 1 8.4734 0.02 . 1 . . . . 74 ILE HN . 18403 1 272 . 1 1 74 74 ILE C C 13 175.94843 0.3 . 1 . . . . 74 ILE C . 18403 1 273 . 1 1 74 74 ILE CA C 13 60.20058 0.3 . 1 . . . . 74 ILE CA . 18403 1 274 . 1 1 74 74 ILE N N 15 125.94041 0.3 . 1 . . . . 74 ILE N . 18403 1 275 . 1 1 75 75 VAL H H 1 9.1826 0.02 . 1 . . . . 75 VAL HN . 18403 1 276 . 1 1 75 75 VAL C C 13 175.10284 0.3 . 1 . . . . 75 VAL C . 18403 1 277 . 1 1 75 75 VAL CA C 13 64.35752 0.3 . 1 . . . . 75 VAL CA . 18403 1 278 . 1 1 75 75 VAL N N 15 127.80103 0.3 . 1 . . . . 75 VAL N . 18403 1 279 . 1 1 76 76 LEU H H 1 9.27656 0.02 . 1 . . . . 76 LEU HN . 18403 1 280 . 1 1 76 76 LEU C C 13 177.48259 0.3 . 1 . . . . 76 LEU C . 18403 1 281 . 1 1 76 76 LEU CA C 13 55.14566 0.3 . 1 . . . . 76 LEU CA . 18403 1 282 . 1 1 76 76 LEU N N 15 127.92377 0.3 . 1 . . . . 76 LEU N . 18403 1 283 . 1 1 77 77 ASP H H 1 7.64606 0.02 . 1 . . . . 77 ASP HN . 18403 1 284 . 1 1 77 77 ASP C C 13 174.5208 0.3 . 1 . . . . 77 ASP C . 18403 1 285 . 1 1 77 77 ASP CA C 13 55.11874 0.3 . 1 . . . . 77 ASP CA . 18403 1 286 . 1 1 77 77 ASP N N 15 116.08878 0.3 . 1 . . . . 77 ASP N . 18403 1 287 . 1 1 78 78 ASP H H 1 8.16645 0.02 . 1 . . . . 78 ASP HN . 18403 1 288 . 1 1 78 78 ASP C C 13 175.42618 0.3 . 1 . . . . 78 ASP C . 18403 1 289 . 1 1 78 78 ASP CA C 13 52.18509 0.3 . 1 . . . . 78 ASP CA . 18403 1 290 . 1 1 78 78 ASP N N 15 128.47447 0.3 . 1 . . . . 78 ASP N . 18403 1 291 . 1 1 79 79 SER H H 1 8.23068 0.02 . 1 . . . . 79 SER HN . 18403 1 292 . 1 1 79 79 SER C C 13 175.42322 0.3 . 1 . . . . 79 SER C . 18403 1 293 . 1 1 79 79 SER CA C 13 61.67878 0.3 . 1 . . . . 79 SER CA . 18403 1 294 . 1 1 79 79 SER N N 15 115.02412 0.3 . 1 . . . . 79 SER N . 18403 1 295 . 1 1 80 80 ASP H H 1 8.68874 0.02 . 1 . . . . 80 ASP HN . 18403 1 296 . 1 1 80 80 ASP CA C 13 53.83246 0.3 . 1 . . . . 80 ASP CA . 18403 1 297 . 1 1 80 80 ASP N N 15 124.9873 0.3 . 1 . . . . 80 ASP N . 18403 1 298 . 1 1 81 81 ALA H H 1 8.36875 0.02 . 1 . . . . 81 ALA HN . 18403 1 299 . 1 1 81 81 ALA C C 13 179.45065 0.3 . 1 . . . . 81 ALA C . 18403 1 300 . 1 1 81 81 ALA CA C 13 54.80757 0.3 . 1 . . . . 81 ALA CA . 18403 1 301 . 1 1 81 81 ALA N N 15 122.34467 0.3 . 1 . . . . 81 ALA N . 18403 1 302 . 1 1 82 82 ASN H H 1 8.47975 0.02 . 1 . . . . 82 ASN HN . 18403 1 303 . 1 1 82 82 ASN C C 13 174.9624 0.3 . 1 . . . . 82 ASN C . 18403 1 304 . 1 1 82 82 ASN CA C 13 54.80757 0.3 . 1 . . . . 82 ASN CA . 18403 1 305 . 1 1 82 82 ASN N N 15 113.31498 0.3 . 1 . . . . 82 ASN N . 18403 1 306 . 1 1 83 83 TRP H H 1 8.80793 0.02 . 1 . . . . 83 TRP HN . 18403 1 307 . 1 1 83 83 TRP CA C 13 56.19628 0.3 . 1 . . . . 83 TRP CA . 18403 1 308 . 1 1 83 83 TRP N N 15 123.69116 0.3 . 1 . . . . 83 TRP N . 18403 1 309 . 1 1 84 84 TRP H H 1 8.47536 0.02 . 1 . . . . 84 TRP HN . 18403 1 310 . 1 1 84 84 TRP C C 13 172.94901 0.3 . 1 . . . . 84 TRP C . 18403 1 311 . 1 1 84 84 TRP CA C 13 52.83338 0.3 . 1 . . . . 84 TRP CA . 18403 1 312 . 1 1 84 84 TRP N N 15 126.04747 0.3 . 1 . . . . 84 TRP N . 18403 1 313 . 1 1 85 85 LYS H H 1 8.74445 0.02 . 1 . . . . 85 LYS HN . 18403 1 314 . 1 1 85 85 LYS C C 13 176.96216 0.3 . 1 . . . . 85 LYS C . 18403 1 315 . 1 1 85 85 LYS CA C 13 55.00751 0.3 . 1 . . . . 85 LYS CA . 18403 1 316 . 1 1 85 85 LYS N N 15 119.53824 0.3 . 1 . . . . 85 LYS N . 18403 1 317 . 1 1 86 86 GLY H H 1 9.81415 0.02 . 1 . . . . 86 GLY HN . 18403 1 318 . 1 1 86 86 GLY C C 13 169.42712 0.3 . 1 . . . . 86 GLY C . 18403 1 319 . 1 1 86 86 GLY CA C 13 45.78331 0.3 . 1 . . . . 86 GLY CA . 18403 1 320 . 1 1 86 86 GLY N N 15 116.19762 0.3 . 1 . . . . 86 GLY N . 18403 1 321 . 1 1 87 87 GLU H H 1 9.14728 0.02 . 1 . . . . 87 GLU HN . 18403 1 322 . 1 1 87 87 GLU C C 13 175.12349 0.3 . 1 . . . . 87 GLU C . 18403 1 323 . 1 1 87 87 GLU CA C 13 54.61148 0.3 . 1 . . . . 87 GLU CA . 18403 1 324 . 1 1 87 87 GLU N N 15 118.67406 0.3 . 1 . . . . 87 GLU N . 18403 1 325 . 1 1 88 88 ASN H H 1 9.14018 0.02 . 1 . . . . 88 ASN HN . 18403 1 326 . 1 1 88 88 ASN CA C 13 52.30162 0.3 . 1 . . . . 88 ASN CA . 18403 1 327 . 1 1 88 88 ASN N N 15 122.85646 0.3 . 1 . . . . 88 ASN N . 18403 1 328 . 1 1 89 89 HIS C C 13 175.96278 0.3 . 1 . . . . 89 HIS C . 18403 1 329 . 1 1 89 89 HIS CA C 13 58.72704 0.3 . 1 . . . . 89 HIS CA . 18403 1 330 . 1 1 90 90 ARG H H 1 8.09527 0.02 . 1 . . . . 90 ARG HN . 18403 1 331 . 1 1 90 90 ARG C C 13 176.63287 0.3 . 1 . . . . 90 ARG C . 18403 1 332 . 1 1 90 90 ARG CA C 13 56.62378 0.3 . 1 . . . . 90 ARG CA . 18403 1 333 . 1 1 90 90 ARG N N 15 118.85223 0.3 . 1 . . . . 90 ARG N . 18403 1 334 . 1 1 91 91 GLY H H 1 7.77362 0.02 . 1 . . . . 91 GLY HN . 18403 1 335 . 1 1 91 91 GLY C C 13 169.51051 0.3 . 1 . . . . 91 GLY C . 18403 1 336 . 1 1 91 91 GLY CA C 13 45.2785 0.3 . 1 . . . . 91 GLY CA . 18403 1 337 . 1 1 91 91 GLY N N 15 107.88157 0.3 . 1 . . . . 91 GLY N . 18403 1 338 . 1 1 92 92 ILE H H 1 8.03955 0.02 . 1 . . . . 92 ILE HN . 18403 1 339 . 1 1 92 92 ILE C C 13 177.17038 0.3 . 1 . . . . 92 ILE C . 18403 1 340 . 1 1 92 92 ILE CA C 13 59.25618 0.3 . 1 . . . . 92 ILE CA . 18403 1 341 . 1 1 92 92 ILE N N 15 117.96838 0.3 . 1 . . . . 92 ILE N . 18403 1 342 . 1 1 93 93 GLY H H 1 9.06146 0.02 . 1 . . . . 93 GLY HN . 18403 1 343 . 1 1 93 93 GLY C C 13 171.24072 0.3 . 1 . . . . 93 GLY C . 18403 1 344 . 1 1 93 93 GLY CA C 13 45.82391 0.3 . 1 . . . . 93 GLY CA . 18403 1 345 . 1 1 93 93 GLY N N 15 112.32797 0.3 . 1 . . . . 93 GLY N . 18403 1 346 . 1 1 94 94 LEU H H 1 9.34776 0.02 . 1 . . . . 94 LEU HN . 18403 1 347 . 1 1 94 94 LEU C C 13 177.65215 0.3 . 1 . . . . 94 LEU C . 18403 1 348 . 1 1 94 94 LEU CA C 13 54.32784 0.3 . 1 . . . . 94 LEU CA . 18403 1 349 . 1 1 94 94 LEU N N 15 120.55309 0.3 . 1 . . . . 94 LEU N . 18403 1 350 . 1 1 95 95 PHE H H 1 9.23664 0.02 . 1 . . . . 95 PHE HN . 18403 1 351 . 1 1 95 95 PHE CA C 13 55.45646 0.3 . 1 . . . . 95 PHE CA . 18403 1 352 . 1 1 95 95 PHE N N 15 116.10665 0.3 . 1 . . . . 95 PHE N . 18403 1 353 . 1 1 96 96 PRO CA C 13 61.12302 0.3 . 1 . . . . 96 PRO CA . 18403 1 354 . 1 1 97 97 SER H H 1 7.75684 0.02 . 1 . . . . 97 SER HN . 18403 1 355 . 1 1 97 97 SER CA C 13 60.21215 0.3 . 1 . . . . 97 SER CA . 18403 1 356 . 1 1 97 97 SER N N 15 121.86482 0.3 . 1 . . . . 97 SER N . 18403 1 357 . 1 1 98 98 ASP H H 1 8.32641 0.02 . 1 . . . . 98 ASP HN . 18403 1 358 . 1 1 98 98 ASP C C 13 176.43948 0.3 . 1 . . . . 98 ASP C . 18403 1 359 . 1 1 98 98 ASP CA C 13 54.12664 0.3 . 1 . . . . 98 ASP CA . 18403 1 360 . 1 1 98 98 ASP N N 15 116.85012 0.3 . 1 . . . . 98 ASP N . 18403 1 361 . 1 1 99 99 PHE H H 1 8.034 0.02 . 1 . . . . 99 PHE HN . 18403 1 362 . 1 1 99 99 PHE C C 13 175.05779 0.3 . 1 . . . . 99 PHE C . 18403 1 363 . 1 1 99 99 PHE CA C 13 57.98326 0.3 . 1 . . . . 99 PHE CA . 18403 1 364 . 1 1 99 99 PHE N N 15 119.38812 0.3 . 1 . . . . 99 PHE N . 18403 1 365 . 1 1 100 100 VAL H H 1 7.29314 0.02 . 1 . . . . 100 VAL HN . 18403 1 366 . 1 1 100 100 VAL C C 13 173.34012 0.3 . 1 . . . . 100 VAL C . 18403 1 367 . 1 1 100 100 VAL CA C 13 58.5423 0.3 . 1 . . . . 100 VAL CA . 18403 1 368 . 1 1 100 100 VAL N N 15 108.86767 0.3 . 1 . . . . 100 VAL N . 18403 1 369 . 1 1 101 101 THR H H 1 8.81878 0.02 . 1 . . . . 101 THR HN . 18403 1 370 . 1 1 101 101 THR C C 13 172.87482 0.3 . 1 . . . . 101 THR C . 18403 1 371 . 1 1 101 101 THR CA C 13 58.18139 0.3 . 1 . . . . 101 THR CA . 18403 1 372 . 1 1 101 101 THR N N 15 112.59203 0.3 . 1 . . . . 101 THR N . 18403 1 373 . 1 1 102 102 THR H H 1 8.37733 0.02 . 1 . . . . 102 THR HN . 18403 1 374 . 1 1 102 102 THR CA C 13 62.68167 0.3 . 1 . . . . 102 THR CA . 18403 1 375 . 1 1 102 102 THR N N 15 116.412 0.3 . 1 . . . . 102 THR N . 18403 1 376 . 1 1 103 103 ASN H H 1 8.4388 0.02 . 1 . . . . 103 ASN HN . 18403 1 377 . 1 1 103 103 ASN C C 13 174.68535 0.3 . 1 . . . . 103 ASN C . 18403 1 378 . 1 1 103 103 ASN CA C 13 52.77171 0.3 . 1 . . . . 103 ASN CA . 18403 1 379 . 1 1 103 103 ASN N N 15 121.69292 0.3 . 1 . . . . 103 ASN N . 18403 1 380 . 1 1 104 104 LEU H H 1 8.61186 0.02 . 1 . . . . 104 LEU HN . 18403 1 381 . 1 1 104 104 LEU C C 13 177.27229 0.3 . 1 . . . . 104 LEU C . 18403 1 382 . 1 1 104 104 LEU CA C 13 55.94074 0.3 . 1 . . . . 104 LEU CA . 18403 1 383 . 1 1 104 104 LEU N N 15 124.49168 0.3 . 1 . . . . 104 LEU N . 18403 1 384 . 1 1 105 105 ASN H H 1 8.20458 0.02 . 1 . . . . 105 ASN HN . 18403 1 385 . 1 1 105 105 ASN C C 13 174.71001 0.3 . 1 . . . . 105 ASN C . 18403 1 386 . 1 1 105 105 ASN CA C 13 53.52925 0.3 . 1 . . . . 105 ASN CA . 18403 1 387 . 1 1 105 105 ASN N N 15 117.64935 0.3 . 1 . . . . 105 ASN N . 18403 1 388 . 1 1 106 106 ILE H H 1 7.99527 0.02 . 1 . . . . 106 ILE HN . 18403 1 389 . 1 1 106 106 ILE C C 13 175.94849 0.3 . 1 . . . . 106 ILE C . 18403 1 390 . 1 1 106 106 ILE CA C 13 61.43987 0.3 . 1 . . . . 106 ILE CA . 18403 1 391 . 1 1 106 106 ILE N N 15 120.81773 0.3 . 1 . . . . 106 ILE N . 18403 1 392 . 1 1 107 107 GLU H H 1 8.56936 0.02 . 1 . . . . 107 GLU HN . 18403 1 393 . 1 1 107 107 GLU C C 13 176.53789 0.3 . 1 . . . . 107 GLU C . 18403 1 394 . 1 1 107 107 GLU CA C 13 56.6913 0.3 . 1 . . . . 107 GLU CA . 18403 1 395 . 1 1 107 107 GLU N N 15 124.84093 0.3 . 1 . . . . 107 GLU N . 18403 1 396 . 1 1 108 108 THR H H 1 8.23068 0.02 . 1 . . . . 108 THR HN . 18403 1 397 . 1 1 108 108 THR C C 13 173.6868 0.3 . 1 . . . . 108 THR C . 18403 1 398 . 1 1 108 108 THR CA C 13 61.67878 0.3 . 1 . . . . 108 THR CA . 18403 1 399 . 1 1 108 108 THR N N 15 115.02412 0.3 . 1 . . . . 108 THR N . 18403 1 400 . 1 1 109 109 GLU H H 1 8.08377 0.02 . 1 . . . . 109 GLU HN . 18403 1 401 . 1 1 109 109 GLU CA C 13 58.19132 0.3 . 1 . . . . 109 GLU CA . 18403 1 402 . 1 1 109 109 GLU N N 15 128.1264 0.3 . 1 . . . . 109 GLU N . 18403 1 stop_ save_