data_53964 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53964 _Entry.Title ; 1H, 13C, and 15N NMR backbone chemical shift assignments of the palladin Ig4 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-08-07 _Entry.Accession_date 2026-08-07 _Entry.Last_release_date 2026-08-07 _Entry.Original_release_date 2026-08-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Rahul Yadav . . . 0000-0002-0958-2882 53964 2 Moriah Beck . R. . 0000-0003-1004-7147 53964 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53964 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 178 53964 '15N chemical shifts' 93 53964 '1H chemical shifts' 93 53964 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 . . 2026-08-24 . original BMRB . 53964 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53964 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N NMR backbone chemical shift assignments of the palladin Ig4 domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rahul Yadav . . . . 53964 1 2 Moriah Beck . R. . . 53964 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'actin binding protein' 53964 1 'immunoglobulin-like domain' 53964 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53964 _Assembly.ID 1 _Assembly.Name 'palladin Ig4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'palladin Ig4' 1 $entity_1 . . yes native no no . . . 53964 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53964 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; SNAQERFFRPHFLQAPGDLT VQEGKLCRMDCKVSGLPTPD LSWQLDGKPIRPDSAHKMLV RENGVHSLIIEPVTSRDAGI YTCIATNRAGQNSFNLELVV AAKEAHK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11840.51 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; _Entity_comp_index_alt.Auth_seq_ID _Entity_comp_index_alt.Auth_comp_name 1 SER 2 ASN 10 PRO 16 PRO 37 PRO 39 PRO 49 PRO 52 PRO 72 PRO ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes GB BAC39934.1 . 'Ig-like C2-type 4' . . . . . . . . . . . . . . 53964 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'actin-binding and bundling' 53964 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 . SER . 53964 1 2 . ASN . 53964 1 3 . ALA . 53964 1 4 . GLN . 53964 1 5 . GLU . 53964 1 6 . ARG . 53964 1 7 . PHE . 53964 1 8 . PHE . 53964 1 9 . ARG . 53964 1 10 . PRO . 53964 1 11 . HIS . 53964 1 12 . PHE . 53964 1 13 . LEU . 53964 1 14 . GLN . 53964 1 15 . ALA . 53964 1 16 . PRO . 53964 1 17 . GLY . 53964 1 18 . ASP . 53964 1 19 . LEU . 53964 1 20 . THR . 53964 1 21 . VAL . 53964 1 22 . GLN . 53964 1 23 . GLU . 53964 1 24 . GLY . 53964 1 25 . LYS . 53964 1 26 . LEU . 53964 1 27 . CYS . 53964 1 28 . ARG . 53964 1 29 . MET . 53964 1 30 . ASP . 53964 1 31 . CYS . 53964 1 32 . LYS . 53964 1 33 . VAL . 53964 1 34 . SER . 53964 1 35 . GLY . 53964 1 36 . LEU . 53964 1 37 . PRO . 53964 1 38 . THR . 53964 1 39 . PRO . 53964 1 40 . ASP . 53964 1 41 . LEU . 53964 1 42 . SER . 53964 1 43 . TRP . 53964 1 44 . GLN . 53964 1 45 . LEU . 53964 1 46 . ASP . 53964 1 47 . GLY . 53964 1 48 . LYS . 53964 1 49 . PRO . 53964 1 50 . ILE . 53964 1 51 . ARG . 53964 1 52 . PRO . 53964 1 53 . ASP . 53964 1 54 . SER . 53964 1 55 . ALA . 53964 1 56 . HIS . 53964 1 57 . LYS . 53964 1 58 . MET . 53964 1 59 . LEU . 53964 1 60 . VAL . 53964 1 61 . ARG . 53964 1 62 . GLU . 53964 1 63 . ASN . 53964 1 64 . GLY . 53964 1 65 . VAL . 53964 1 66 . HIS . 53964 1 67 . SER . 53964 1 68 . LEU . 53964 1 69 . ILE . 53964 1 70 . ILE . 53964 1 71 . GLU . 53964 1 72 . PRO . 53964 1 73 . VAL . 53964 1 74 . THR . 53964 1 75 . SER . 53964 1 76 . ARG . 53964 1 77 . ASP . 53964 1 78 . ALA . 53964 1 79 . GLY . 53964 1 80 . ILE . 53964 1 81 . TYR . 53964 1 82 . THR . 53964 1 83 . CYS . 53964 1 84 . ILE . 53964 1 85 . ALA . 53964 1 86 . THR . 53964 1 87 . ASN . 53964 1 88 . ARG . 53964 1 89 . ALA . 53964 1 90 . GLY . 53964 1 91 . GLN . 53964 1 92 . ASN . 53964 1 93 . SER . 53964 1 94 . PHE . 53964 1 95 . ASN . 53964 1 96 . LEU . 53964 1 97 . GLU . 53964 1 98 . LEU . 53964 1 99 . VAL . 53964 1 100 . VAL . 53964 1 101 . ALA . 53964 1 102 . ALA . 53964 1 103 . LYS . 53964 1 104 . GLU . 53964 1 105 . ALA . 53964 1 106 . HIS . 53964 1 107 . LYS . 53964 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 . SER 1 1 53964 1 . ASN 2 2 53964 1 . ALA 3 3 53964 1 . GLN 4 4 53964 1 . GLU 5 5 53964 1 . ARG 6 6 53964 1 . PHE 7 7 53964 1 . PHE 8 8 53964 1 . ARG 9 9 53964 1 . PRO 10 10 53964 1 . HIS 11 11 53964 1 . PHE 12 12 53964 1 . LEU 13 13 53964 1 . GLN 14 14 53964 1 . ALA 15 15 53964 1 . PRO 16 16 53964 1 . GLY 17 17 53964 1 . ASP 18 18 53964 1 . LEU 19 19 53964 1 . THR 20 20 53964 1 . VAL 21 21 53964 1 . GLN 22 22 53964 1 . GLU 23 23 53964 1 . GLY 24 24 53964 1 . LYS 25 25 53964 1 . LEU 26 26 53964 1 . CYS 27 27 53964 1 . ARG 28 28 53964 1 . MET 29 29 53964 1 . ASP 30 30 53964 1 . CYS 31 31 53964 1 . LYS 32 32 53964 1 . VAL 33 33 53964 1 . SER 34 34 53964 1 . GLY 35 35 53964 1 . LEU 36 36 53964 1 . PRO 37 37 53964 1 . THR 38 38 53964 1 . PRO 39 39 53964 1 . ASP 40 40 53964 1 . LEU 41 41 53964 1 . SER 42 42 53964 1 . TRP 43 43 53964 1 . GLN 44 44 53964 1 . LEU 45 45 53964 1 . ASP 46 46 53964 1 . GLY 47 47 53964 1 . LYS 48 48 53964 1 . PRO 49 49 53964 1 . ILE 50 50 53964 1 . ARG 51 51 53964 1 . PRO 52 52 53964 1 . ASP 53 53 53964 1 . SER 54 54 53964 1 . ALA 55 55 53964 1 . HIS 56 56 53964 1 . LYS 57 57 53964 1 . MET 58 58 53964 1 . LEU 59 59 53964 1 . VAL 60 60 53964 1 . ARG 61 61 53964 1 . GLU 62 62 53964 1 . ASN 63 63 53964 1 . GLY 64 64 53964 1 . VAL 65 65 53964 1 . HIS 66 66 53964 1 . SER 67 67 53964 1 . LEU 68 68 53964 1 . ILE 69 69 53964 1 . ILE 70 70 53964 1 . GLU 71 71 53964 1 . PRO 72 72 53964 1 . VAL 73 73 53964 1 . THR 74 74 53964 1 . SER 75 75 53964 1 . ARG 76 76 53964 1 . ASP 77 77 53964 1 . ALA 78 78 53964 1 . GLY 79 79 53964 1 . ILE 80 80 53964 1 . TYR 81 81 53964 1 . THR 82 82 53964 1 . CYS 83 83 53964 1 . ILE 84 84 53964 1 . ALA 85 85 53964 1 . THR 86 86 53964 1 . ASN 87 87 53964 1 . ARG 88 88 53964 1 . ALA 89 89 53964 1 . GLY 90 90 53964 1 . GLN 91 91 53964 1 . ASN 92 92 53964 1 . SER 93 93 53964 1 . PHE 94 94 53964 1 . ASN 95 95 53964 1 . LEU 96 96 53964 1 . GLU 97 97 53964 1 . LEU 98 98 53964 1 . VAL 99 99 53964 1 . VAL 100 100 53964 1 . ALA 101 101 53964 1 . ALA 102 102 53964 1 . LYS 103 103 53964 1 . GLU 104 104 53964 1 . ALA 105 105 53964 1 . HIS 106 106 53964 1 . LYS 107 107 53964 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53964 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 53964 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53964 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pTBSG . . 'His6 tag with TEV protease site' 53964 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53964 _Sample.ID 1 _Sample.Name '15N palladin Ig4' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'palladin Ig4 domain' '[U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 53964 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53964 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53964 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53964 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53964 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53964 1 7 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53964 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53964 _Sample.ID 2 _Sample.Name '13C/15N palladin Ig4' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'palladin Ig4 domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 53964 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53964 2 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53964 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 53964 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53964 2 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53964 2 7 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53964 2 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 53964 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _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' 0.05 . M 53964 1 pH 6.9 . pH 53964 1 pressure 1 . atm 53964 1 temperature 298.15 . K 53964 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53964 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53964 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53964 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'KU 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53964 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53964 1 2 '3D HNCACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53964 1 3 '3D HN(CO)CA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53964 1 4 '3D HN(CO)CACB' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53964 1 5 '3D HNCA' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53964 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53964 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name KU_800_2014 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.251449530 external indirect 0.251449530 . . . . . 53964 1 H 1 DSS 'methyl protons' . . . . ppm 1.00 external direct 1.00 . . . . . 53964 1 N 15 DSS 'methyl protons' . . . . ppm 0.101329118 external indirect 0.101329118 . . . . . 53964 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53964 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Palladin Ig4 backbone' _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 $chem_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 '2D 1H-15N HSQC' . . . 53964 1 2 '3D HNCACB' . . . 53964 1 3 '3D HN(CO)CA' . . . 53964 1 4 '3D HN(CO)CACB' . . . 53964 1 5 '3D HNCA' . . . 53964 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53964 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ASN CA C 13 50.600 0.200 . 1 . . . . . 2 ASN CA . 53964 1 2 . 1 . 1 3 3 ALA H H 1 8.425 0.02 . 1 . . . . . 3 ALA H . 53964 1 3 . 1 . 1 3 3 ALA CA C 13 52.800 0.200 . 1 . . . . . 3 ALA CA . 53964 1 4 . 1 . 1 3 3 ALA CB C 13 18.600 0.200 . 1 . . . . . 3 ALA CB . 53964 1 5 . 1 . 1 3 3 ALA N N 15 124.957 0.20 . 1 . . . . . 3 ALA N . 53964 1 6 . 1 . 1 4 4 GLN H H 1 8.254 0.02 . 1 . . . . . 4 GLN H . 53964 1 7 . 1 . 1 4 4 GLN CA C 13 55.700 0.200 . 1 . . . . . 4 GLN CA . 53964 1 8 . 1 . 1 4 4 GLN CB C 13 28.600 0.200 . 1 . . . . . 4 GLN CB . 53964 1 9 . 1 . 1 4 4 GLN N N 15 118.649 0.20 . 1 . . . . . 4 GLN N . 53964 1 10 . 1 . 1 5 5 GLU H H 1 8.164 0.02 . 1 . . . . . 5 GLU H . 53964 1 11 . 1 . 1 5 5 GLU CA C 13 56.500 0.200 . 1 . . . . . 5 GLU CA . 53964 1 12 . 1 . 1 5 5 GLU CB C 13 29.500 0.200 . 1 . . . . . 5 GLU CB . 53964 1 13 . 1 . 1 5 5 GLU N N 15 121.953 0.20 . 1 . . . . . 5 GLU N . 53964 1 14 . 1 . 1 6 6 ARG H H 1 7.948 0.02 . 1 . . . . . 6 ARG H . 53964 1 15 . 1 . 1 6 6 ARG CA C 13 55.400 0.200 . 1 . . . . . 6 ARG CA . 53964 1 16 . 1 . 1 6 6 ARG CB C 13 30.200 0.200 . 1 . . . . . 6 ARG CB . 53964 1 17 . 1 . 1 6 6 ARG CD C 13 43.300 0.200 . 1 . . . . . 6 ARG CD . 53964 1 18 . 1 . 1 6 6 ARG N N 15 121.395 0.20 . 1 . . . . . 6 ARG N . 53964 1 19 . 1 . 1 7 7 PHE H H 1 7.705 0.02 . 1 . . . . . 7 PHE H . 53964 1 20 . 1 . 1 7 7 PHE CA C 13 55.100 0.200 . 1 . . . . . 7 PHE CA . 53964 1 21 . 1 . 1 7 7 PHE CB C 13 39.300 0.200 . 1 . . . . . 7 PHE CB . 53964 1 22 . 1 . 1 7 7 PHE N N 15 119.844 0.20 . 1 . . . . . 7 PHE N . 53964 1 23 . 1 . 1 8 8 PHE H H 1 9.249 0.02 . 1 . . . . . 8 PHE H . 53964 1 24 . 1 . 1 8 8 PHE CA C 13 56.700 0.200 . 1 . . . . . 8 PHE CA . 53964 1 25 . 1 . 1 8 8 PHE CB C 13 40.700 0.200 . 1 . . . . . 8 PHE CB . 53964 1 26 . 1 . 1 8 8 PHE N N 15 117.719 0.20 . 1 . . . . . 8 PHE N . 53964 1 27 . 1 . 1 9 9 ARG H H 1 8.773 0.02 . 1 . . . . . 9 ARG H . 53964 1 28 . 1 . 1 9 9 ARG CA C 13 54.100 0.200 . 1 . . . . . 9 ARG CA . 53964 1 29 . 1 . 1 9 9 ARG CD C 13 43.300 0.200 . 1 . . . . . 9 ARG CD . 53964 1 30 . 1 . 1 9 9 ARG N N 15 123.961 0.20 . 1 . . . . . 9 ARG N . 53964 1 31 . 1 . 1 11 11 HIS CA C 13 54.700 0.200 . 1 . . . . . 11 HIS CA . 53964 1 32 . 1 . 1 12 12 PHE H H 1 8.916 0.02 . 1 . . . . . 12 PHE H . 53964 1 33 . 1 . 1 12 12 PHE CA C 13 58.400 0.200 . 1 . . . . . 12 PHE CA . 53964 1 34 . 1 . 1 12 12 PHE N N 15 121.747 0.20 . 1 . . . . . 12 PHE N . 53964 1 35 . 1 . 1 13 13 LEU CA C 13 55.800 0.200 . 1 . . . . . 13 LEU CA . 53964 1 36 . 1 . 1 13 13 LEU CB C 13 42.300 0.200 . 1 . . . . . 13 LEU CB . 53964 1 37 . 1 . 1 14 14 GLN H H 1 7.680 0.02 . 1 . . . . . 14 GLN H . 53964 1 38 . 1 . 1 14 14 GLN CA C 13 55.600 0.200 . 1 . . . . . 14 GLN CA . 53964 1 39 . 1 . 1 14 14 GLN CB C 13 31.500 0.200 . 1 . . . . . 14 GLN CB . 53964 1 40 . 1 . 1 14 14 GLN N N 15 115.860 0.20 . 1 . . . . . 14 GLN N . 53964 1 41 . 1 . 1 15 15 ALA H H 1 8.349 0.02 . 1 . . . . . 15 ALA H . 53964 1 42 . 1 . 1 15 15 ALA CB C 13 18.700 0.200 . 1 . . . . . 15 ALA CB . 53964 1 43 . 1 . 1 15 15 ALA N N 15 127.358 0.20 . 1 . . . . . 15 ALA N . 53964 1 44 . 1 . 1 16 16 PRO CA C 13 62.000 0.200 . 1 . . . . . 16 PRO CA . 53964 1 45 . 1 . 1 16 16 PRO CB C 13 31.000 0.200 . 1 . . . . . 16 PRO CB . 53964 1 46 . 1 . 1 17 17 GLY H H 1 7.632 0.02 . 1 . . . . . 17 GLY H . 53964 1 47 . 1 . 1 17 17 GLY CA C 13 43.000 0.200 . 1 . . . . . 17 GLY CA . 53964 1 48 . 1 . 1 17 17 GLY N N 15 105.700 0.20 . 1 . . . . . 17 GLY N . 53964 1 49 . 1 . 1 18 18 ASP H H 1 7.796 0.02 . 1 . . . . . 18 ASP H . 53964 1 50 . 1 . 1 18 18 ASP CA C 13 55.700 0.200 . 1 . . . . . 18 ASP CA . 53964 1 51 . 1 . 1 18 18 ASP CB C 13 40.700 0.200 . 1 . . . . . 18 ASP CB . 53964 1 52 . 1 . 1 18 18 ASP N N 15 116.258 0.20 . 1 . . . . . 18 ASP N . 53964 1 53 . 1 . 1 19 19 LEU H H 1 8.486 0.02 . 1 . . . . . 19 LEU H . 53964 1 54 . 1 . 1 19 19 LEU CA C 13 54.800 0.200 . 1 . . . . . 19 LEU CA . 53964 1 55 . 1 . 1 19 19 LEU N N 15 122.101 0.20 . 1 . . . . . 19 LEU N . 53964 1 56 . 1 . 1 20 20 THR H H 1 8.271 0.02 . 1 . . . . . 20 THR H . 53964 1 57 . 1 . 1 20 20 THR CA C 13 61.000 0.200 . 1 . . . . . 20 THR CA . 53964 1 58 . 1 . 1 20 20 THR CB C 13 70.400 0.200 . 1 . . . . . 20 THR CB . 53964 1 59 . 1 . 1 20 20 THR N N 15 118.259 0.20 . 1 . . . . . 20 THR N . 53964 1 60 . 1 . 1 21 21 VAL H H 1 8.794 0.02 . 1 . . . . . 21 VAL H . 53964 1 61 . 1 . 1 21 21 VAL CA C 13 59.400 0.200 . 1 . . . . . 21 VAL CA . 53964 1 62 . 1 . 1 21 21 VAL CB C 13 35.400 0.200 . 1 . . . . . 21 VAL CB . 53964 1 63 . 1 . 1 21 21 VAL N N 15 124.796 0.20 . 1 . . . . . 21 VAL N . 53964 1 64 . 1 . 1 22 22 GLN H H 1 8.422 0.02 . 1 . . . . . 22 GLN H . 53964 1 65 . 1 . 1 22 22 GLN CA C 13 55.500 0.200 . 1 . . . . . 22 GLN CA . 53964 1 66 . 1 . 1 22 22 GLN CB C 13 29.600 0.200 . 1 . . . . . 22 GLN CB . 53964 1 67 . 1 . 1 22 22 GLN N N 15 124.849 0.20 . 1 . . . . . 22 GLN N . 53964 1 68 . 1 . 1 23 23 GLU H H 1 8.355 0.02 . 1 . . . . . 23 GLU H . 53964 1 69 . 1 . 1 23 23 GLU CA C 13 58.000 0.200 . 1 . . . . . 23 GLU CA . 53964 1 70 . 1 . 1 23 23 GLU CB C 13 29.500 0.200 . 1 . . . . . 23 GLU CB . 53964 1 71 . 1 . 1 23 23 GLU N N 15 123.141 0.20 . 1 . . . . . 23 GLU N . 53964 1 72 . 1 . 1 24 24 GLY H H 1 9.066 0.02 . 1 . . . . . 24 GLY H . 53964 1 73 . 1 . 1 24 24 GLY CA C 13 44.600 0.200 . 1 . . . . . 24 GLY CA . 53964 1 74 . 1 . 1 24 24 GLY N N 15 112.274 0.20 . 1 . . . . . 24 GLY N . 53964 1 75 . 1 . 1 25 25 LYS H H 1 7.577 0.02 . 1 . . . . . 25 LYS H . 53964 1 76 . 1 . 1 25 25 LYS CA C 13 54.300 0.200 . 1 . . . . . 25 LYS CA . 53964 1 77 . 1 . 1 25 25 LYS CB C 13 32.000 0.200 . 1 . . . . . 25 LYS CB . 53964 1 78 . 1 . 1 25 25 LYS CE C 13 42.100 0.200 . 1 . . . . . 25 LYS CE . 53964 1 79 . 1 . 1 25 25 LYS N N 15 119.844 0.20 . 1 . . . . . 25 LYS N . 53964 1 80 . 1 . 1 26 26 LEU H H 1 7.601 0.02 . 1 . . . . . 26 LEU H . 53964 1 81 . 1 . 1 26 26 LEU CA C 13 55.100 0.200 . 1 . . . . . 26 LEU CA . 53964 1 82 . 1 . 1 26 26 LEU CB C 13 43.200 0.200 . 1 . . . . . 26 LEU CB . 53964 1 83 . 1 . 1 26 26 LEU N N 15 120.176 0.20 . 1 . . . . . 26 LEU N . 53964 1 84 . 1 . 1 27 27 CYS H H 1 9.322 0.02 . 1 . . . . . 27 CYS H . 53964 1 85 . 1 . 1 27 27 CYS CA C 13 57.000 0.200 . 1 . . . . . 27 CYS CA . 53964 1 86 . 1 . 1 27 27 CYS CB C 13 29.000 0.200 . 1 . . . . . 27 CYS CB . 53964 1 87 . 1 . 1 27 27 CYS N N 15 126.152 0.20 . 1 . . . . . 27 CYS N . 53964 1 88 . 1 . 1 28 28 ARG H H 1 8.419 0.02 . 1 . . . . . 28 ARG H . 53964 1 89 . 1 . 1 28 28 ARG CA C 13 54.000 0.200 . 1 . . . . . 28 ARG CA . 53964 1 90 . 1 . 1 28 28 ARG CB C 13 32.600 0.200 . 1 . . . . . 28 ARG CB . 53964 1 91 . 1 . 1 28 28 ARG CD C 13 43.300 0.200 . 1 . . . . . 28 ARG CD . 53964 1 92 . 1 . 1 28 28 ARG N N 15 129.053 0.20 . 1 . . . . . 28 ARG N . 53964 1 93 . 1 . 1 29 29 MET H H 1 9.026 0.02 . 1 . . . . . 29 MET H . 53964 1 94 . 1 . 1 29 29 MET CA C 13 54.500 0.200 . 1 . . . . . 29 MET CA . 53964 1 95 . 1 . 1 29 29 MET CB C 13 32.600 0.200 . 1 . . . . . 29 MET CB . 53964 1 96 . 1 . 1 29 29 MET N N 15 125.554 0.20 . 1 . . . . . 29 MET N . 53964 1 97 . 1 . 1 30 30 ASP H H 1 8.456 0.02 . 1 . . . . . 30 ASP H . 53964 1 98 . 1 . 1 30 30 ASP CA C 13 52.600 0.200 . 1 . . . . . 30 ASP CA . 53964 1 99 . 1 . 1 30 30 ASP N N 15 122.412 0.20 . 1 . . . . . 30 ASP N . 53964 1 100 . 1 . 1 31 31 CYS H H 1 9.505 0.02 . 1 . . . . . 31 CYS H . 53964 1 101 . 1 . 1 31 31 CYS CA C 13 55.400 0.200 . 1 . . . . . 31 CYS CA . 53964 1 102 . 1 . 1 31 31 CYS N N 15 114.996 0.20 . 1 . . . . . 31 CYS N . 53964 1 103 . 1 . 1 32 32 LYS CA C 13 55.600 0.200 . 1 . . . . . 32 LYS CA . 53964 1 104 . 1 . 1 32 32 LYS CE C 13 42.100 0.200 . 1 . . . . . 32 LYS CE . 53964 1 105 . 1 . 1 33 33 VAL H H 1 9.359 0.02 . 1 . . . . . 33 VAL H . 53964 1 106 . 1 . 1 33 33 VAL CA C 13 59.200 0.200 . 1 . . . . . 33 VAL CA . 53964 1 107 . 1 . 1 33 33 VAL N N 15 128.078 0.20 . 1 . . . . . 33 VAL N . 53964 1 108 . 1 . 1 34 34 SER H H 1 8.794 0.02 . 1 . . . . . 34 SER H . 53964 1 109 . 1 . 1 34 34 SER CA C 13 55.400 0.200 . 1 . . . . . 34 SER CA . 53964 1 110 . 1 . 1 34 34 SER CB C 13 65.600 0.200 . 1 . . . . . 34 SER CB . 53964 1 111 . 1 . 1 34 34 SER N N 15 121.892 0.20 . 1 . . . . . 34 SER N . 53964 1 112 . 1 . 1 35 35 GLY H H 1 7.986 0.02 . 1 . . . . . 35 GLY H . 53964 1 113 . 1 . 1 35 35 GLY CA C 13 45.300 0.200 . 1 . . . . . 35 GLY CA . 53964 1 114 . 1 . 1 35 35 GLY N N 15 108.887 0.20 . 1 . . . . . 35 GLY N . 53964 1 115 . 1 . 1 36 36 LEU H H 1 6.835 0.02 . 1 . . . . . 36 LEU H . 53964 1 116 . 1 . 1 36 36 LEU CA C 13 52.300 0.200 . 1 . . . . . 36 LEU CA . 53964 1 117 . 1 . 1 36 36 LEU N N 15 121.947 0.20 . 1 . . . . . 36 LEU N . 53964 1 118 . 1 . 1 37 37 PRO CA C 13 62.200 0.200 . 1 . . . . . 37 PRO CA . 53964 1 119 . 1 . 1 38 38 THR H H 1 8.663 0.02 . 1 . . . . . 38 THR H . 53964 1 120 . 1 . 1 38 38 THR CA C 13 61.900 0.200 . 1 . . . . . 38 THR CA . 53964 1 121 . 1 . 1 38 38 THR CB C 13 69.900 0.200 . 1 . . . . . 38 THR CB . 53964 1 122 . 1 . 1 38 38 THR N N 15 119.180 0.20 . 1 . . . . . 38 THR N . 53964 1 123 . 1 . 1 39 39 PRO CA C 13 62.700 0.200 . 1 . . . . . 39 PRO CA . 53964 1 124 . 1 . 1 39 39 PRO CB C 13 32.600 0.200 . 1 . . . . . 39 PRO CB . 53964 1 125 . 1 . 1 40 40 ASP H H 1 8.626 0.02 . 1 . . . . . 40 ASP H . 53964 1 126 . 1 . 1 40 40 ASP CA C 13 53.500 0.200 . 1 . . . . . 40 ASP CA . 53964 1 127 . 1 . 1 40 40 ASP N N 15 120.574 0.20 . 1 . . . . . 40 ASP N . 53964 1 128 . 1 . 1 41 41 LEU H H 1 8.722 0.02 . 1 . . . . . 41 LEU H . 53964 1 129 . 1 . 1 41 41 LEU CA C 13 54.200 0.200 . 1 . . . . . 41 LEU CA . 53964 1 130 . 1 . 1 41 41 LEU N N 15 125.156 0.20 . 1 . . . . . 41 LEU N . 53964 1 131 . 1 . 1 42 42 SER H H 1 8.687 0.02 . 1 . . . . . 42 SER H . 53964 1 132 . 1 . 1 42 42 SER CA C 13 56.900 0.200 . 1 . . . . . 42 SER CA . 53964 1 133 . 1 . 1 42 42 SER CB C 13 65.600 0.200 . 1 . . . . . 42 SER CB . 53964 1 134 . 1 . 1 42 42 SER N N 15 118.383 0.20 . 1 . . . . . 42 SER N . 53964 1 135 . 1 . 1 43 43 TRP H H 1 8.699 0.02 . 1 . . . . . 43 CYS H . 53964 1 136 . 1 . 1 43 43 TRP CA C 13 56.100 0.200 . 1 . . . . . 43 CYS CA . 53964 1 137 . 1 . 1 43 43 TRP CB C 13 32.100 0.200 . 1 . . . . . 43 CYS CB . 53964 1 138 . 1 . 1 43 43 TRP N N 15 122.433 0.20 . 1 . . . . . 43 CYS N . 53964 1 139 . 1 . 1 44 44 GLN H H 1 9.456 0.02 . 1 . . . . . 44 GLN H . 53964 1 140 . 1 . 1 44 44 GLN CA C 13 53.800 0.200 . 1 . . . . . 44 GLN CA . 53964 1 141 . 1 . 1 44 44 GLN N N 15 120.641 0.20 . 1 . . . . . 44 GLN N . 53964 1 142 . 1 . 1 45 45 LEU H H 1 8.425 0.02 . 1 . . . . . 45 LEU H . 53964 1 143 . 1 . 1 45 45 LEU CA C 13 53.000 0.200 . 1 . . . . . 45 LEU CA . 53964 1 144 . 1 . 1 45 45 LEU CB C 13 43.100 0.200 . 1 . . . . . 45 LEU CB . 53964 1 145 . 1 . 1 45 45 LEU N N 15 120.574 0.20 . 1 . . . . . 45 LEU N . 53964 1 146 . 1 . 1 46 46 ASP H H 1 9.895 0.02 . 1 . . . . . 46 ASP H . 53964 1 147 . 1 . 1 46 46 ASP CA C 13 55.300 0.200 . 1 . . . . . 46 ASP CA . 53964 1 148 . 1 . 1 46 46 ASP CB C 13 39.200 0.200 . 1 . . . . . 46 ASP CB . 53964 1 149 . 1 . 1 46 46 ASP N N 15 129.605 0.20 . 1 . . . . . 46 ASP N . 53964 1 150 . 1 . 1 47 47 GLY H H 1 8.327 0.02 . 1 . . . . . 47 GLY H . 53964 1 151 . 1 . 1 47 47 GLY CA C 13 45.100 0.200 . 1 . . . . . 47 GLY CA . 53964 1 152 . 1 . 1 47 47 GLY N N 15 101.251 0.20 . 1 . . . . . 47 GLY N . 53964 1 153 . 1 . 1 48 48 LYS H H 1 7.854 0.02 . 1 . . . . . 48 LYS H . 53964 1 154 . 1 . 1 48 48 LYS CB C 13 32.500 0.200 . 1 . . . . . 48 LYS CB . 53964 1 155 . 1 . 1 48 48 LYS CE C 13 42.100 0.200 . 1 . . . . . 48 LYS CE . 53964 1 156 . 1 . 1 48 48 LYS N N 15 121.238 0.20 . 1 . . . . . 48 LYS N . 53964 1 157 . 1 . 1 49 49 PRO CA C 13 63.400 0.200 . 1 . . . . . 49 PRO CA . 53964 1 158 . 1 . 1 49 49 PRO CB C 13 31.700 0.200 . 1 . . . . . 49 PRO CB . 53964 1 159 . 1 . 1 50 50 ILE H H 1 8.165 0.02 . 1 . . . . . 50 ILE H . 53964 1 160 . 1 . 1 50 50 ILE CA C 13 60.800 0.200 . 1 . . . . . 50 ILE CA . 53964 1 161 . 1 . 1 50 50 ILE CB C 13 38.300 0.200 . 1 . . . . . 50 ILE CB . 53964 1 162 . 1 . 1 50 50 ILE N N 15 124.242 0.20 . 1 . . . . . 50 ILE N . 53964 1 163 . 1 . 1 51 51 ARG H H 1 8.419 0.02 . 1 . . . . . 51 ARG H . 53964 1 164 . 1 . 1 51 51 ARG CD C 13 43.300 0.200 . 1 . . . . . 51 ARG CD . 53964 1 165 . 1 . 1 51 51 ARG N N 15 129.273 0.20 . 1 . . . . . 51 ARG N . 53964 1 166 . 1 . 1 52 52 PRO CA C 13 62.700 0.200 . 1 . . . . . 52 PRO CA . 53964 1 167 . 1 . 1 52 52 PRO CB C 13 31.400 0.200 . 1 . . . . . 52 PRO CB . 53964 1 168 . 1 . 1 53 53 ASP H H 1 9.072 0.02 . 1 . . . . . 53 ASP H . 53964 1 169 . 1 . 1 53 53 ASP CA C 13 53.500 0.200 . 1 . . . . . 53 ASP CA . 53964 1 170 . 1 . 1 53 53 ASP CB C 13 39.800 0.200 . 1 . . . . . 53 ASP CB . 53964 1 171 . 1 . 1 53 53 ASP N N 15 122.101 0.20 . 1 . . . . . 53 ASP N . 53964 1 172 . 1 . 1 54 54 SER H H 1 8.433 0.02 . 1 . . . . . 54 SER H . 53964 1 173 . 1 . 1 54 54 SER CA C 13 61.600 0.200 . 1 . . . . . 54 SER CA . 53964 1 174 . 1 . 1 54 54 SER CB C 13 62.700 0.200 . 1 . . . . . 54 SER CB . 53964 1 175 . 1 . 1 54 54 SER N N 15 112.328 0.20 . 1 . . . . . 54 SER N . 53964 1 176 . 1 . 1 55 55 ALA H H 1 7.932 0.02 . 1 . . . . . 55 ALA H . 53964 1 177 . 1 . 1 55 55 ALA CA C 13 51.200 0.200 . 1 . . . . . 55 ALA CA . 53964 1 178 . 1 . 1 55 55 ALA N N 15 121.282 0.20 . 1 . . . . . 55 ALA N . 53964 1 179 . 1 . 1 56 56 HIS H H 1 7.644 0.02 . 1 . . . . . 56 HIS H . 53964 1 180 . 1 . 1 56 56 HIS CA C 13 55.400 0.200 . 1 . . . . . 56 HIS CA . 53964 1 181 . 1 . 1 56 56 HIS CB C 13 28.400 0.200 . 1 . . . . . 56 HIS CB . 53964 1 182 . 1 . 1 56 56 HIS N N 15 116.988 0.20 . 1 . . . . . 56 HIS N . 53964 1 183 . 1 . 1 57 57 LYS H H 1 9.018 0.02 . 1 . . . . . 57 LYS H . 53964 1 184 . 1 . 1 57 57 LYS CA C 13 54.700 0.200 . 1 . . . . . 57 LYS CA . 53964 1 185 . 1 . 1 57 57 LYS CE C 13 42.100 0.200 . 1 . . . . . 57 LYS CE . 53964 1 186 . 1 . 1 57 57 LYS N N 15 121.836 0.20 . 1 . . . . . 57 LYS N . 53964 1 187 . 1 . 1 58 58 MET H H 1 8.596 0.02 . 1 . . . . . 58 MET H . 53964 1 188 . 1 . 1 58 58 MET CA C 13 54.900 0.200 . 1 . . . . . 58 MET CA . 53964 1 189 . 1 . 1 58 58 MET CB C 13 33.800 0.200 . 1 . . . . . 58 MET CB . 53964 1 190 . 1 . 1 58 58 MET N N 15 122.101 0.20 . 1 . . . . . 58 MET N . 53964 1 191 . 1 . 1 59 59 LEU H H 1 8.986 0.02 . 1 . . . . . 59 LEU H . 53964 1 192 . 1 . 1 59 59 LEU CA C 13 53.800 0.200 . 1 . . . . . 59 LEU CA . 53964 1 193 . 1 . 1 59 59 LEU N N 15 123.695 0.20 . 1 . . . . . 59 LEU N . 53964 1 194 . 1 . 1 60 60 VAL H H 1 8.562 0.02 . 1 . . . . . 60 VAL H . 53964 1 195 . 1 . 1 60 60 VAL CA C 13 61.900 0.200 . 1 . . . . . 60 VAL CA . 53964 1 196 . 1 . 1 60 60 VAL CB C 13 32.700 0.200 . 1 . . . . . 60 VAL CB . 53964 1 197 . 1 . 1 60 60 VAL N N 15 123.926 0.20 . 1 . . . . . 60 VAL N . 53964 1 198 . 1 . 1 61 61 ARG H H 1 8.468 0.02 . 1 . . . . . 61 ARG H . 53964 1 199 . 1 . 1 61 61 ARG CA C 13 53.900 0.200 . 1 . . . . . 61 ARG CA . 53964 1 200 . 1 . 1 61 61 ARG CB C 13 31.400 0.200 . 1 . . . . . 61 ARG CB . 53964 1 201 . 1 . 1 61 61 ARG CD C 13 43.300 0.200 . 1 . . . . . 61 ARG CD . 53964 1 202 . 1 . 1 61 61 ARG N N 15 126.617 0.20 . 1 . . . . . 61 ARG N . 53964 1 203 . 1 . 1 62 62 GLU H H 1 8.491 0.02 . 1 . . . . . 62 GLU H . 53964 1 204 . 1 . 1 62 62 GLU CA C 13 57.300 0.200 . 1 . . . . . 62 GLU CA . 53964 1 205 . 1 . 1 62 62 GLU CB C 13 29.500 0.200 . 1 . . . . . 62 GLU CB . 53964 1 206 . 1 . 1 62 62 GLU N N 15 118.714 0.20 . 1 . . . . . 62 GLU N . 53964 1 207 . 1 . 1 63 63 ASN H H 1 8.767 0.02 . 1 . . . . . 63 ASN H . 53964 1 208 . 1 . 1 63 63 ASN CA C 13 53.700 0.200 . 1 . . . . . 63 ASN CA . 53964 1 209 . 1 . 1 63 63 ASN CB C 13 36.800 0.200 . 1 . . . . . 63 ASN CB . 53964 1 210 . 1 . 1 63 63 ASN N N 15 115.328 0.20 . 1 . . . . . 63 ASN N . 53964 1 211 . 1 . 1 64 64 GLY H H 1 8.321 0.02 . 1 . . . . . 64 GLY H . 53964 1 212 . 1 . 1 64 64 GLY CA C 13 46.100 0.200 . 1 . . . . . 64 GLY CA . 53964 1 213 . 1 . 1 64 64 GLY N N 15 105.434 0.20 . 1 . . . . . 64 GLY N . 53964 1 214 . 1 . 1 65 65 VAL H H 1 8.529 0.02 . 1 . . . . . 65 VAL H . 53964 1 215 . 1 . 1 65 65 VAL CA C 13 62.500 0.200 . 1 . . . . . 65 VAL CA . 53964 1 216 . 1 . 1 65 65 VAL CB C 13 31.400 0.200 . 1 . . . . . 65 VAL CB . 53964 1 217 . 1 . 1 65 65 VAL N N 15 120.332 0.20 . 1 . . . . . 65 VAL N . 53964 1 218 . 1 . 1 66 66 HIS H H 1 9.151 0.02 . 1 . . . . . 66 HIS H . 53964 1 219 . 1 . 1 66 66 HIS CA C 13 55.200 0.200 . 1 . . . . . 66 HIS CA . 53964 1 220 . 1 . 1 66 66 HIS N N 15 127.746 0.20 . 1 . . . . . 66 HIS N . 53964 1 221 . 1 . 1 67 67 SER H H 1 8.807 0.02 . 1 . . . . . 67 SER H . 53964 1 222 . 1 . 1 67 67 SER CA C 13 57.300 0.200 . 1 . . . . . 67 SER CA . 53964 1 223 . 1 . 1 67 67 SER CB C 13 66.600 0.200 . 1 . . . . . 67 SER CB . 53964 1 224 . 1 . 1 67 67 SER N N 15 113.488 0.20 . 1 . . . . . 67 SER N . 53964 1 225 . 1 . 1 68 68 LEU H H 1 8.840 0.02 . 1 . . . . . 68 LEU H . 53964 1 226 . 1 . 1 68 68 LEU CA C 13 53.700 0.200 . 1 . . . . . 68 LEU CA . 53964 1 227 . 1 . 1 68 68 LEU CB C 13 41.300 0.200 . 1 . . . . . 68 LEU CB . 53964 1 228 . 1 . 1 68 68 LEU N N 15 129.406 0.20 . 1 . . . . . 68 LEU N . 53964 1 229 . 1 . 1 69 69 ILE H H 1 9.185 0.02 . 1 . . . . . 69 ILE H . 53964 1 230 . 1 . 1 69 69 ILE CA C 13 59.400 0.200 . 1 . . . . . 69 ILE CA . 53964 1 231 . 1 . 1 69 69 ILE CB C 13 39.600 0.200 . 1 . . . . . 69 ILE CB . 53964 1 232 . 1 . 1 69 69 ILE N N 15 126.683 0.20 . 1 . . . . . 69 ILE N . 53964 1 233 . 1 . 1 70 70 ILE H H 1 8.998 0.02 . 1 . . . . . 70 ILE H . 53964 1 234 . 1 . 1 70 70 ILE CA C 13 59.100 0.200 . 1 . . . . . 70 ILE CA . 53964 1 235 . 1 . 1 70 70 ILE N N 15 128.120 0.20 . 1 . . . . . 70 ILE N . 53964 1 236 . 1 . 1 71 71 GLU H H 1 8.449 0.02 . 1 . . . . . 71 GLU H . 53964 1 237 . 1 . 1 71 71 GLU N N 15 125.546 0.20 . 1 . . . . . 71 GLU N . 53964 1 238 . 1 . 1 72 72 PRO CA C 13 62.700 0.200 . 1 . . . . . 72 PRO CA . 53964 1 239 . 1 . 1 72 72 PRO CB C 13 32.300 0.200 . 1 . . . . . 72 PRO CB . 53964 1 240 . 1 . 1 73 73 VAL H H 1 8.271 0.02 . 1 . . . . . 73 VAL H . 53964 1 241 . 1 . 1 73 73 VAL CA C 13 62.100 0.200 . 1 . . . . . 73 VAL CA . 53964 1 242 . 1 . 1 73 73 VAL CB C 13 32.300 0.200 . 1 . . . . . 73 VAL CB . 53964 1 243 . 1 . 1 73 73 VAL N N 15 119.478 0.20 . 1 . . . . . 73 VAL N . 53964 1 244 . 1 . 1 74 74 THR H H 1 9.506 0.02 . 1 . . . . . 74 THR H . 53964 1 245 . 1 . 1 74 74 THR CA C 13 60.000 0.200 . 1 . . . . . 74 THR CA . 53964 1 246 . 1 . 1 74 74 THR N N 15 119.910 0.20 . 1 . . . . . 74 THR N . 53964 1 247 . 1 . 1 75 75 SER H H 1 9.267 0.02 . 1 . . . . . 75 SER H . 53964 1 248 . 1 . 1 75 75 SER CA C 13 62.200 0.200 . 1 . . . . . 75 SER CA . 53964 1 249 . 1 . 1 75 75 SER N N 15 116.988 0.20 . 1 . . . . . 75 SER N . 53964 1 250 . 1 . 1 76 76 ARG H H 1 7.632 0.02 . 1 . . . . . 76 ARG H . 53964 1 251 . 1 . 1 76 76 ARG CA C 13 57.300 0.200 . 1 . . . . . 76 ARG CA . 53964 1 252 . 1 . 1 76 76 ARG CB C 13 29.100 0.200 . 1 . . . . . 76 ARG CB . 53964 1 253 . 1 . 1 76 76 ARG CD C 13 43.300 0.200 . 1 . . . . . 76 ARG CD . 53964 1 254 . 1 . 1 76 76 ARG N N 15 119.711 0.20 . 1 . . . . . 76 ARG N . 53964 1 255 . 1 . 1 77 77 ASP H H 1 8.028 0.02 . 1 . . . . . 77 ASP H . 53964 1 256 . 1 . 1 77 77 ASP CA C 13 54.900 0.200 . 1 . . . . . 77 ASP CA . 53964 1 257 . 1 . 1 77 77 ASP CB C 13 41.800 0.200 . 1 . . . . . 77 ASP CB . 53964 1 258 . 1 . 1 77 77 ASP N N 15 116.059 0.20 . 1 . . . . . 77 ASP N . 53964 1 259 . 1 . 1 78 78 ALA H H 1 7.162 0.02 . 1 . . . . . 78 ALA H . 53964 1 260 . 1 . 1 78 78 ALA CA C 13 53.100 0.200 . 1 . . . . . 78 ALA CA . 53964 1 261 . 1 . 1 78 78 ALA CB C 13 20.000 0.200 . 1 . . . . . 78 ALA CB . 53964 1 262 . 1 . 1 78 78 ALA N N 15 121.570 0.20 . 1 . . . . . 78 ALA N . 53964 1 263 . 1 . 1 79 79 GLY H H 1 8.394 0.02 . 1 . . . . . 79 GLY H . 53964 1 264 . 1 . 1 79 79 GLY CA C 13 44.700 0.200 . 1 . . . . . 79 GLY CA . 53964 1 265 . 1 . 1 79 79 GLY N N 15 107.891 0.20 . 1 . . . . . 79 GLY N . 53964 1 266 . 1 . 1 80 80 ILE H H 1 8.617 0.02 . 1 . . . . . 80 ILE H . 53964 1 267 . 1 . 1 80 80 ILE CA C 13 58.800 0.200 . 1 . . . . . 80 ILE CA . 53964 1 268 . 1 . 1 80 80 ILE N N 15 119.894 0.20 . 1 . . . . . 80 ILE N . 53964 1 269 . 1 . 1 81 81 TYR CA C 13 57.500 0.200 . 1 . . . . . 81 TYR CA . 53964 1 270 . 1 . 1 81 81 TYR CB C 13 40.000 0.200 . 1 . . . . . 81 TYR CB . 53964 1 271 . 1 . 1 82 82 THR H H 1 8.858 0.02 . 1 . . . . . 82 THR H . 53964 1 272 . 1 . 1 82 82 THR CA C 13 60.500 0.200 . 1 . . . . . 82 THR CA . 53964 1 273 . 1 . 1 82 82 THR CB C 13 71.700 0.200 . 1 . . . . . 82 THR CB . 53964 1 274 . 1 . 1 82 82 THR N N 15 116.988 0.20 . 1 . . . . . 82 THR N . 53964 1 275 . 1 . 1 83 83 CYS H H 1 7.977 0.02 . 1 . . . . . 83 CYS H . 53964 1 276 . 1 . 1 83 83 CYS CA C 13 56.000 0.200 . 1 . . . . . 83 CYS CA . 53964 1 277 . 1 . 1 83 83 CYS CB C 13 28.000 0.200 . 1 . . . . . 83 CYS CB . 53964 1 278 . 1 . 1 83 83 CYS N N 15 127.679 0.20 . 1 . . . . . 83 CYS N . 53964 1 279 . 1 . 1 84 84 ILE H H 1 8.531 0.02 . 1 . . . . . 84 ILE H . 53964 1 280 . 1 . 1 84 84 ILE CA C 13 60.100 0.200 . 1 . . . . . 84 ILE CA . 53964 1 281 . 1 . 1 84 84 ILE CB C 13 39.800 0.200 . 1 . . . . . 84 ILE CB . 53964 1 282 . 1 . 1 84 84 ILE N N 15 126.478 0.20 . 1 . . . . . 84 ILE N . 53964 1 283 . 1 . 1 85 85 ALA H H 1 9.151 0.02 . 1 . . . . . 85 ALA H . 53964 1 284 . 1 . 1 85 85 ALA CA C 13 49.300 0.200 . 1 . . . . . 85 ALA CA . 53964 1 285 . 1 . 1 85 85 ALA N N 15 130.335 0.20 . 1 . . . . . 85 ALA N . 53964 1 286 . 1 . 1 86 86 THR H H 1 8.797 0.02 . 1 . . . . . 86 THR H . 53964 1 287 . 1 . 1 86 86 THR CA C 13 61.000 0.200 . 1 . . . . . 86 THR CA . 53964 1 288 . 1 . 1 86 86 THR CB C 13 71.700 0.200 . 1 . . . . . 86 THR CB . 53964 1 289 . 1 . 1 86 86 THR N N 15 115.461 0.20 . 1 . . . . . 86 THR N . 53964 1 290 . 1 . 1 87 87 ASN H H 1 9.114 0.02 . 1 . . . . . 87 ASN H . 53964 1 291 . 1 . 1 87 87 ASN CA C 13 51.900 0.200 . 1 . . . . . 87 ASN CA . 53964 1 292 . 1 . 1 87 87 ASN CB C 13 40.400 0.200 . 1 . . . . . 87 ASN CB . 53964 1 293 . 1 . 1 87 87 ASN N N 15 121.637 0.20 . 1 . . . . . 87 ASN N . 53964 1 294 . 1 . 1 88 88 ARG H H 1 8.156 0.02 . 1 . . . . . 88 ARG H . 53964 1 295 . 1 . 1 88 88 ARG CA C 13 57.800 0.200 . 1 . . . . . 88 ARG CA . 53964 1 296 . 1 . 1 88 88 ARG CB C 13 29.700 0.200 . 1 . . . . . 88 ARG CB . 53964 1 297 . 1 . 1 88 88 ARG CD C 13 43.300 0.200 . 1 . . . . . 88 ARG CD . 53964 1 298 . 1 . 1 88 88 ARG N N 15 114.133 0.20 . 1 . . . . . 88 ARG N . 53964 1 299 . 1 . 1 89 89 ALA H H 1 7.491 0.02 . 1 . . . . . 89 ALA H . 53964 1 300 . 1 . 1 89 89 ALA CA C 13 51.700 0.200 . 1 . . . . . 89 ALA CA . 53964 1 301 . 1 . 1 89 89 ALA CB C 13 18.900 0.200 . 1 . . . . . 89 ALA CB . 53964 1 302 . 1 . 1 89 89 ALA N N 15 119.512 0.20 . 1 . . . . . 89 ALA N . 53964 1 303 . 1 . 1 90 90 GLY H H 1 7.796 0.02 . 1 . . . . . 90 GLY H . 53964 1 304 . 1 . 1 90 90 GLY CA C 13 45.300 0.200 . 1 . . . . . 90 GLY CA . 53964 1 305 . 1 . 1 90 90 GLY N N 15 106.032 0.20 . 1 . . . . . 90 GLY N . 53964 1 306 . 1 . 1 91 91 GLN H H 1 8.498 0.02 . 1 . . . . . 91 GLN H . 53964 1 307 . 1 . 1 91 91 GLN CA C 13 53.300 0.200 . 1 . . . . . 91 GLN CA . 53964 1 308 . 1 . 1 91 91 GLN CB C 13 28.400 0.200 . 1 . . . . . 91 GLN CB . 53964 1 309 . 1 . 1 91 91 GLN N N 15 116.590 0.20 . 1 . . . . . 91 GLN N . 53964 1 310 . 1 . 1 92 92 ASN H H 1 9.018 0.02 . 1 . . . . . 92 ASN H . 53964 1 311 . 1 . 1 92 92 ASN CA C 13 51.800 0.200 . 1 . . . . . 92 ASN CA . 53964 1 312 . 1 . 1 92 92 ASN N N 15 121.187 0.20 . 1 . . . . . 92 ASN N . 53964 1 313 . 1 . 1 93 93 SER H H 1 9.104 0.02 . 1 . . . . . 93 SER H . 53964 1 314 . 1 . 1 93 93 SER CA C 13 57.200 0.200 . 1 . . . . . 93 SER CA . 53964 1 315 . 1 . 1 93 93 SER N N 15 114.466 0.20 . 1 . . . . . 93 SER N . 53964 1 316 . 1 . 1 94 94 PHE H H 1 7.839 0.02 . 1 . . . . . 94 PHE H . 53964 1 317 . 1 . 1 94 94 PHE CA C 13 56.400 0.200 . 1 . . . . . 94 PHE CA . 53964 1 318 . 1 . 1 94 94 PHE CB C 13 41.100 0.200 . 1 . . . . . 94 PHE CB . 53964 1 319 . 1 . 1 94 94 PHE N N 15 115.196 0.20 . 1 . . . . . 94 PHE N . 53964 1 320 . 1 . 1 95 95 ASN H H 1 8.646 0.02 . 1 . . . . . 95 ASN H . 53964 1 321 . 1 . 1 95 95 ASN CA C 13 51.300 0.200 . 1 . . . . . 95 ASN CA . 53964 1 322 . 1 . 1 95 95 ASN N N 15 116.278 0.20 . 1 . . . . . 95 ASN N . 53964 1 323 . 1 . 1 96 96 LEU H H 1 9.297 0.02 . 1 . . . . . 96 LEU H . 53964 1 324 . 1 . 1 96 96 LEU CA C 13 55.600 0.200 . 1 . . . . . 96 LEU CA . 53964 1 325 . 1 . 1 96 96 LEU CB C 13 43.500 0.200 . 1 . . . . . 96 LEU CB . 53964 1 326 . 1 . 1 96 96 LEU N N 15 119.180 0.20 . 1 . . . . . 96 LEU N . 53964 1 327 . 1 . 1 97 97 GLU H H 1 9.273 0.02 . 1 . . . . . 97 GLU H . 53964 1 328 . 1 . 1 97 97 GLU CA C 13 54.800 0.200 . 1 . . . . . 97 GLU CA . 53964 1 329 . 1 . 1 97 97 GLU N N 15 122.832 0.20 . 1 . . . . . 97 GLU N . 53964 1 330 . 1 . 1 98 98 LEU H H 1 9.169 0.02 . 1 . . . . . 98 LEU H . 53964 1 331 . 1 . 1 98 98 LEU CA C 13 53.500 0.200 . 1 . . . . . 98 LEU CA . 53964 1 332 . 1 . 1 98 98 LEU N N 15 129.007 0.20 . 1 . . . . . 98 LEU N . 53964 1 333 . 1 . 1 99 99 VAL H H 1 8.974 0.02 . 1 . . . . . 99 VAL H . 53964 1 334 . 1 . 1 99 99 VAL CA C 13 61.800 0.200 . 1 . . . . . 99 VAL CA . 53964 1 335 . 1 . 1 99 99 VAL CB C 13 32.600 0.200 . 1 . . . . . 99 VAL CB . 53964 1 336 . 1 . 1 99 99 VAL N N 15 131.132 0.20 . 1 . . . . . 99 VAL N . 53964 1 337 . 1 . 1 100 100 VAL H H 1 8.309 0.02 . 1 . . . . . 100 VAL H . 53964 1 338 . 1 . 1 100 100 VAL CA C 13 60.400 0.200 . 1 . . . . . 100 VAL CA . 53964 1 339 . 1 . 1 100 100 VAL CB C 13 32.600 0.200 . 1 . . . . . 100 VAL CB . 53964 1 340 . 1 . 1 100 100 VAL N N 15 126.617 0.20 . 1 . . . . . 100 VAL N . 53964 1 341 . 1 . 1 101 101 ALA CA C 13 53.000 0.200 . 1 . . . . . 101 ALA CA . 53964 1 342 . 1 . 1 102 102 ALA H H 1 8.425 0.02 . 1 . . . . . 102 ALA H . 53964 1 343 . 1 . 1 102 102 ALA CA C 13 51.900 0.200 . 1 . . . . . 102 ALA CA . 53964 1 344 . 1 . 1 102 102 ALA CB C 13 19.200 0.200 . 1 . . . . . 102 ALA CB . 53964 1 345 . 1 . 1 102 102 ALA N N 15 124.678 0.20 . 1 . . . . . 102 ALA N . 53964 1 346 . 1 . 1 103 103 LYS H H 1 8.659 0.02 . 1 . . . . . 103 LYS H . 53964 1 347 . 1 . 1 103 103 LYS CA C 13 56.800 0.200 . 1 . . . . . 103 LYS CA . 53964 1 348 . 1 . 1 103 103 LYS CB C 13 32.600 0.200 . 1 . . . . . 103 LYS CB . 53964 1 349 . 1 . 1 103 103 LYS CE C 13 42.100 0.200 . 1 . . . . . 103 LYS CE . 53964 1 350 . 1 . 1 103 103 LYS N N 15 120.973 0.20 . 1 . . . . . 103 LYS N . 53964 1 351 . 1 . 1 104 104 GLU H H 1 8.392 0.02 . 1 . . . . . 104 GLU H . 53964 1 352 . 1 . 1 104 104 GLU CA C 13 56.200 0.200 . 1 . . . . . 104 GLU CA . 53964 1 353 . 1 . 1 104 104 GLU CB C 13 29.800 0.200 . 1 . . . . . 104 GLU CB . 53964 1 354 . 1 . 1 104 104 GLU N N 15 122.146 0.20 . 1 . . . . . 104 GLU N . 53964 1 355 . 1 . 1 105 105 ALA H H 1 8.321 0.02 . 1 . . . . . 105 ALA H . 53964 1 356 . 1 . 1 105 105 ALA CA C 13 52.100 0.200 . 1 . . . . . 105 ALA CA . 53964 1 357 . 1 . 1 105 105 ALA CB C 13 18.900 0.200 . 1 . . . . . 105 ALA CB . 53964 1 358 . 1 . 1 105 105 ALA N N 15 125.754 0.20 . 1 . . . . . 105 ALA N . 53964 1 359 . 1 . 1 106 106 HIS H H 1 8.309 0.02 . 1 . . . . . 106 HIS H . 53964 1 360 . 1 . 1 106 106 HIS CA C 13 55.500 0.200 . 1 . . . . . 106 HIS CA . 53964 1 361 . 1 . 1 106 106 HIS CB C 13 29.500 0.200 . 1 . . . . . 106 HIS CB . 53964 1 362 . 1 . 1 106 106 HIS N N 15 118.631 0.20 . 1 . . . . . 106 HIS N . 53964 1 363 . 1 . 1 107 107 LYS H H 1 8.013 0.02 . 1 . . . . . 107 LYS H . 53964 1 364 . 1 . 1 107 107 LYS N N 15 128.078 0.20 . 1 . . . . . 107 LYS N . 53964 1 stop_ save_