data_18268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18268 _Entry.Title ; Unliganded (apo) C-terminal EF-hand domain from human polycystin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-15 _Entry.Accession_date 2012-02-15 _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 Edward Petri . T. . 18268 2 Andjelka Celic . S. . 18268 3 Barbara Ehrlich . E. . 18268 4 Titus Boggon . J. . 18268 5 Michael Hodsdon . E. . 18268 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Yale University' . 18268 2 . 'University of Novi Sad' . 18268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 145 18268 '15N chemical shifts' 72 18268 '1H chemical shifts' 163 18268 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 . . 2012-06-14 2012-02-15 update BMRB 'update entry citation' 18268 1 . . 2012-05-08 2012-02-15 original author 'original release' 18268 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16590 'EF-hand domain of polycystin-2' 18268 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18268 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22474326 _Citation.Full_citation . _Citation.Title 'Calcium-induced Conformational Changes in C-terminal Tail of Polycystin-2 Are Necessary for Channel Gating.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 21 _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 17232 _Citation.Page_last 17240 _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 Andjelka Celic . S. . 18268 1 2 Edward Petri . T. . 18268 1 3 Jennifer Benbow . . . 18268 1 4 Michael Hodsdon . E. . 18268 1 5 Barbara Ehrlich . E. . 18268 1 6 Titus Boggon . J. . 18268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18268 _Assembly.ID 1 _Assembly.Name EF-hand_domain_of_polycystin-2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 EF-hand_domain_of_polycystin-2 1 $EF-hand_domain_of_polycystin-2 A . no native no no . . . 18268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EF-hand_domain_of_polycystin-2 _Entity.Sf_category entity _Entity.Sf_framecode EF-hand_domain_of_polycystin-2 _Entity.Entry_ID 18268 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EF-hand_domain_of_polycystin-2 _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 ; NTVDDISESLRQGGGKLNFD ELRQDLKGKGHTDAEIEAIF TKYDQDGDQELTEHEHQQMR DDLEKEREDLDLDHSSLP ; _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 78 _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 BMRB 16191 . Polycystin-2_Polypeptide . . . . . 98.72 123 100.00 100.00 2.61e-45 . . . . 18268 1 2 no BMRB 16590 . "EF-hand domain of polycystin-2" . . . . . 100.00 78 100.00 100.00 2.39e-46 . . . . 18268 1 3 no BMRB 17621 . POLYCYSTIN-2 . . . . . 93.59 79 100.00 100.00 6.36e-42 . . . . 18268 1 4 no PDB 2KLD . "Solution Structure Of The Calcium Binding Domain Of The C- Terminal Cytosolic Domain Of Polycystin-2" . . . . . 98.72 123 100.00 100.00 2.61e-45 . . . . 18268 1 5 no PDB 2KLE . "Isic Refined Solution Structure Of The Calcium Binding Domain Of The C-Terminal Cytosolic Domain Of Polycystin-2" . . . . . 98.72 123 100.00 100.00 2.61e-45 . . . . 18268 1 6 no PDB 2KQ6 . "The Structure Of The Ef-Hand Domain Of Polycystin-2 Suggests Mechanism For Ca2+-Dependent Regulation Of Polycystin-2 Cha Activi" . . . . . 100.00 78 100.00 100.00 2.39e-46 . . . . 18268 1 7 no PDB 2Y4Q . "Solution Structure Of The Ef-hand Domain Of Human Polycystin 2" . . . . . 93.59 79 100.00 100.00 6.36e-42 . . . . 18268 1 8 no DBJ BAG56956 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 4.38e-45 . . . . 18268 1 9 no DBJ BAG57494 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 386 100.00 100.00 1.72e-44 . . . . 18268 1 10 no EMBL CAG31243 . "hypothetical protein RCJMB04_4e2 [Gallus gallus]" . . . . . 100.00 881 97.44 97.44 1.69e-41 . . . . 18268 1 11 no EMBL CAI38797 . "polycystic kidney disease 2 membrane protein [Bos taurus]" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 18268 1 12 no GB AAC16004 . "autosomal dominant polycystic kidney disease type II protein [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.49e-43 . . . . 18268 1 13 no GB AAC50520 . "autosomal dominant polycystic kidney disease type II [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 18268 1 14 no GB AAC50933 . "polycystwin, partial [Homo sapiens]" . . . . . 100.00 608 100.00 100.00 3.97e-44 . . . . 18268 1 15 no GB AAI11455 . "PKD2 protein, partial [synthetic construct]" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 18268 1 16 no GB AAI12262 . "Polycystin 2 [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.28e-43 . . . . 18268 1 17 no REF NP_000288 . "polycystin-2 [Homo sapiens]" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 18268 1 18 no REF NP_001026311 . "polycystin 2 [Gallus gallus]" . . . . . 100.00 881 97.44 97.44 1.69e-41 . . . . 18268 1 19 no REF NP_001039777 . "polycystin-2 [Bos taurus]" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 18268 1 20 no REF NP_001232908 . "polycystin-2 [Sus scrofa]" . . . . . 100.00 970 97.44 98.72 2.49e-41 . . . . 18268 1 21 no REF XP_001099242 . "PREDICTED: polycystin-2 [Macaca mulatta]" . . . . . 100.00 969 100.00 100.00 3.85e-43 . . . . 18268 1 22 no SP Q13563 . "RecName: Full=Polycystin-2; AltName: Full=Autosomal dominant polycystic kidney disease type II protein; AltName: Full=Polycysti" . . . . . 100.00 968 100.00 100.00 1.37e-43 . . . . 18268 1 23 no SP Q4GZT3 . "RecName: Full=Polycystin-2; AltName: Full=Polycystic kidney disease 2 protein homolog; AltName: Full=Transient receptor potenti" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 18268 1 24 no TPG DAA28806 . "TPA: polycystin-2 [Bos taurus]" . . . . . 100.00 970 100.00 100.00 4.48e-43 . . . . 18268 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 1 ASN . 18268 1 2 2 THR . 18268 1 3 3 VAL . 18268 1 4 4 ASP . 18268 1 5 5 ASP . 18268 1 6 6 ILE . 18268 1 7 7 SER . 18268 1 8 8 GLU . 18268 1 9 9 SER . 18268 1 10 10 LEU . 18268 1 11 11 ARG . 18268 1 12 12 GLN . 18268 1 13 13 GLY . 18268 1 14 14 GLY . 18268 1 15 15 GLY . 18268 1 16 16 LYS . 18268 1 17 17 LEU . 18268 1 18 18 ASN . 18268 1 19 19 PHE . 18268 1 20 20 ASP . 18268 1 21 21 GLU . 18268 1 22 22 LEU . 18268 1 23 23 ARG . 18268 1 24 24 GLN . 18268 1 25 25 ASP . 18268 1 26 26 LEU . 18268 1 27 27 LYS . 18268 1 28 28 GLY . 18268 1 29 29 LYS . 18268 1 30 30 GLY . 18268 1 31 31 HIS . 18268 1 32 32 THR . 18268 1 33 33 ASP . 18268 1 34 34 ALA . 18268 1 35 35 GLU . 18268 1 36 36 ILE . 18268 1 37 37 GLU . 18268 1 38 38 ALA . 18268 1 39 39 ILE . 18268 1 40 40 PHE . 18268 1 41 41 THR . 18268 1 42 42 LYS . 18268 1 43 43 TYR . 18268 1 44 44 ASP . 18268 1 45 45 GLN . 18268 1 46 46 ASP . 18268 1 47 47 GLY . 18268 1 48 48 ASP . 18268 1 49 49 GLN . 18268 1 50 50 GLU . 18268 1 51 51 LEU . 18268 1 52 52 THR . 18268 1 53 53 GLU . 18268 1 54 54 HIS . 18268 1 55 55 GLU . 18268 1 56 56 HIS . 18268 1 57 57 GLN . 18268 1 58 58 GLN . 18268 1 59 59 MET . 18268 1 60 60 ARG . 18268 1 61 61 ASP . 18268 1 62 62 ASP . 18268 1 63 63 LEU . 18268 1 64 64 GLU . 18268 1 65 65 LYS . 18268 1 66 66 GLU . 18268 1 67 67 ARG . 18268 1 68 68 GLU . 18268 1 69 69 ASP . 18268 1 70 70 LEU . 18268 1 71 71 ASP . 18268 1 72 72 LEU . 18268 1 73 73 ASP . 18268 1 74 74 HIS . 18268 1 75 75 SER . 18268 1 76 76 SER . 18268 1 77 77 LEU . 18268 1 78 78 PRO . 18268 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 . ASN 1 1 18268 1 . THR 2 2 18268 1 . VAL 3 3 18268 1 . ASP 4 4 18268 1 . ASP 5 5 18268 1 . ILE 6 6 18268 1 . SER 7 7 18268 1 . GLU 8 8 18268 1 . SER 9 9 18268 1 . LEU 10 10 18268 1 . ARG 11 11 18268 1 . GLN 12 12 18268 1 . GLY 13 13 18268 1 . GLY 14 14 18268 1 . GLY 15 15 18268 1 . LYS 16 16 18268 1 . LEU 17 17 18268 1 . ASN 18 18 18268 1 . PHE 19 19 18268 1 . ASP 20 20 18268 1 . GLU 21 21 18268 1 . LEU 22 22 18268 1 . ARG 23 23 18268 1 . GLN 24 24 18268 1 . ASP 25 25 18268 1 . LEU 26 26 18268 1 . LYS 27 27 18268 1 . GLY 28 28 18268 1 . LYS 29 29 18268 1 . GLY 30 30 18268 1 . HIS 31 31 18268 1 . THR 32 32 18268 1 . ASP 33 33 18268 1 . ALA 34 34 18268 1 . GLU 35 35 18268 1 . ILE 36 36 18268 1 . GLU 37 37 18268 1 . ALA 38 38 18268 1 . ILE 39 39 18268 1 . PHE 40 40 18268 1 . THR 41 41 18268 1 . LYS 42 42 18268 1 . TYR 43 43 18268 1 . ASP 44 44 18268 1 . GLN 45 45 18268 1 . ASP 46 46 18268 1 . GLY 47 47 18268 1 . ASP 48 48 18268 1 . GLN 49 49 18268 1 . GLU 50 50 18268 1 . LEU 51 51 18268 1 . THR 52 52 18268 1 . GLU 53 53 18268 1 . HIS 54 54 18268 1 . GLU 55 55 18268 1 . HIS 56 56 18268 1 . GLN 57 57 18268 1 . GLN 58 58 18268 1 . MET 59 59 18268 1 . ARG 60 60 18268 1 . ASP 61 61 18268 1 . ASP 62 62 18268 1 . LEU 63 63 18268 1 . GLU 64 64 18268 1 . LYS 65 65 18268 1 . GLU 66 66 18268 1 . ARG 67 67 18268 1 . GLU 68 68 18268 1 . ASP 69 69 18268 1 . LEU 70 70 18268 1 . ASP 71 71 18268 1 . LEU 72 72 18268 1 . ASP 73 73 18268 1 . HIS 74 74 18268 1 . SER 75 75 18268 1 . SER 76 76 18268 1 . LEU 77 77 18268 1 . PRO 78 78 18268 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 18268 _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 $EF-hand_domain_of_polycystin-2 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18268 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 18268 _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 $EF-hand_domain_of_polycystin-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-28(a+) . . . . . . 18268 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18268 _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 EF-hand_domain_of_polycystin-2 '[U-100% 13C; U-100% 15N]' . . 1 $EF-hand_domain_of_polycystin-2 . . 1.0 . . mM . . . . 18268 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18268 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 18268 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 18268 _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' 0.15 . M 18268 1 pH 7.4 . pH 18268 1 pressure 1 . atm 18268 1 temperature 298 . K 18268 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18268 _Software.ID 1 _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' . . 18268 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18268 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18268 _Software.ID 2 _Software.Name VNMR _Software.Version 6.2c _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18268 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18268 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18268 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18268 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18268 3 'peak picking' 18268 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 18268 _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 18268 _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 . . . 18268 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 18268 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18268 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18268 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18268 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18268 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18268 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18268 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18268 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 18268 _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 2 '3D HNCACB' . . . 18268 1 3 '3D 1H-15N NOESY' . . . 18268 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN CA C 13 53.47 . . 1 . . . . 1 ASN CA . 18268 1 2 . 1 1 1 1 ASN CB C 13 39.01 . . 1 . . . . 1 ASN CB . 18268 1 3 . 1 1 2 2 THR H H 1 8.136 . . 1 . . . . 2 THR H . 18268 1 4 . 1 1 2 2 THR CA C 13 62.07 . . 1 . . . . 2 THR CA . 18268 1 5 . 1 1 2 2 THR CB C 13 69.93 . . 1 . . . . 2 THR CB . 18268 1 6 . 1 1 2 2 THR N N 15 114.3 . . 1 . . . . 2 THR N . 18268 1 7 . 1 1 3 3 VAL H H 1 8.125 . . 1 . . . . 3 VAL H . 18268 1 8 . 1 1 3 3 VAL CA C 13 62.86 . . 1 . . . . 3 VAL CA . 18268 1 9 . 1 1 3 3 VAL CB C 13 32.67 . . 1 . . . . 3 VAL CB . 18268 1 10 . 1 1 3 3 VAL N N 15 121.2 . . 1 . . . . 3 VAL N . 18268 1 11 . 1 1 4 4 ASP H H 1 8.23 . . 1 . . . . 4 ASP H . 18268 1 12 . 1 1 4 4 ASP HA H 1 4.567 . . 1 . . . . 4 ASP HA . 18268 1 13 . 1 1 4 4 ASP CA C 13 54.92 . . 1 . . . . 4 ASP CA . 18268 1 14 . 1 1 4 4 ASP CB C 13 41.28 . . 1 . . . . 4 ASP CB . 18268 1 15 . 1 1 4 4 ASP N N 15 123.1 . . 1 . . . . 4 ASP N . 18268 1 16 . 1 1 5 5 ASP H H 1 8.176 . . 1 . . . . 5 ASP H . 18268 1 17 . 1 1 5 5 ASP HA H 1 4.569 . . 1 . . . . 5 ASP HA . 18268 1 18 . 1 1 5 5 ASP CA C 13 54.92 . . 1 . . . . 5 ASP CA . 18268 1 19 . 1 1 5 5 ASP CB C 13 41.3 . . 1 . . . . 5 ASP CB . 18268 1 20 . 1 1 5 5 ASP N N 15 120.6 . . 1 . . . . 5 ASP N . 18268 1 21 . 1 1 6 6 ILE H H 1 8.126 . . 1 . . . . 6 ILE H . 18268 1 22 . 1 1 6 6 ILE HA H 1 4.069 . . 1 . . . . 6 ILE HA . 18268 1 23 . 1 1 6 6 ILE CA C 13 62.38 . . 1 . . . . 6 ILE CA . 18268 1 24 . 1 1 6 6 ILE CB C 13 38.44 . . 1 . . . . 6 ILE CB . 18268 1 25 . 1 1 6 6 ILE N N 15 121.1 . . 1 . . . . 6 ILE N . 18268 1 26 . 1 1 7 7 SER H H 1 8.315 . . 1 . . . . 7 SER H . 18268 1 27 . 1 1 7 7 SER HA H 1 4.233 . . 1 . . . . 7 SER HA . 18268 1 28 . 1 1 7 7 SER HB2 H 1 3.928 . . 1 . . . . 7 SER HB2 . 18268 1 29 . 1 1 7 7 SER HB3 H 1 3.928 . . 1 . . . . 7 SER HB3 . 18268 1 30 . 1 1 7 7 SER CA C 13 60.23 . . 1 . . . . 7 SER CA . 18268 1 31 . 1 1 7 7 SER CB C 13 63.3 . . 1 . . . . 7 SER CB . 18268 1 32 . 1 1 7 7 SER N N 15 118.3 . . 1 . . . . 7 SER N . 18268 1 33 . 1 1 8 8 GLU H H 1 8.294 . . 1 . . . . 8 GLU H . 18268 1 34 . 1 1 8 8 GLU HA H 1 4.194 . . 1 . . . . 8 GLU HA . 18268 1 35 . 1 1 8 8 GLU CA C 13 58.13 . . 1 . . . . 8 GLU CA . 18268 1 36 . 1 1 8 8 GLU CB C 13 29.8 . . 1 . . . . 8 GLU CB . 18268 1 37 . 1 1 8 8 GLU N N 15 122.5 . . 1 . . . . 8 GLU N . 18268 1 38 . 1 1 9 9 SER H H 1 8.101 . . 1 . . . . 9 SER H . 18268 1 39 . 1 1 9 9 SER HA H 1 4.283 . . 1 . . . . 9 SER HA . 18268 1 40 . 1 1 9 9 SER HB2 H 1 3.897 . . 1 . . . . 9 SER HB2 . 18268 1 41 . 1 1 9 9 SER HB3 H 1 3.897 . . 1 . . . . 9 SER HB3 . 18268 1 42 . 1 1 9 9 SER CA C 13 60.07 . . 1 . . . . 9 SER CA . 18268 1 43 . 1 1 9 9 SER CB C 13 63.29 . . 1 . . . . 9 SER CB . 18268 1 44 . 1 1 9 9 SER N N 15 115.5 . . 1 . . . . 9 SER N . 18268 1 45 . 1 1 10 10 LEU H H 1 7.943 . . 1 . . . . 10 LEU H . 18268 1 46 . 1 1 10 10 LEU HA H 1 4.229 . . 1 . . . . 10 LEU HA . 18268 1 47 . 1 1 10 10 LEU CA C 13 56.05 . . 1 . . . . 10 LEU CA . 18268 1 48 . 1 1 10 10 LEU CB C 13 42.07 . . 1 . . . . 10 LEU CB . 18268 1 49 . 1 1 10 10 LEU N N 15 122.4 . . 1 . . . . 10 LEU N . 18268 1 50 . 1 1 11 11 ARG H H 1 7.959 . . 1 . . . . 11 ARG H . 18268 1 51 . 1 1 11 11 ARG HA H 1 4.228 . . 1 . . . . 11 ARG HA . 18268 1 52 . 1 1 11 11 ARG CA C 13 57.13 . . 1 . . . . 11 ARG CA . 18268 1 53 . 1 1 11 11 ARG CB C 13 30.71 . . 1 . . . . 11 ARG CB . 18268 1 54 . 1 1 11 11 ARG N N 15 120.2 . . 1 . . . . 11 ARG N . 18268 1 55 . 1 1 12 12 GLN H H 1 8.201 . . 1 . . . . 12 GLN H . 18268 1 56 . 1 1 12 12 GLN HA H 1 4.281 . . 1 . . . . 12 GLN HA . 18268 1 57 . 1 1 12 12 GLN CA C 13 56.39 . . 1 . . . . 12 GLN CA . 18268 1 58 . 1 1 12 12 GLN CB C 13 29.26 . . 1 . . . . 12 GLN CB . 18268 1 59 . 1 1 12 12 GLN N N 15 119.8 . . 1 . . . . 12 GLN N . 18268 1 60 . 1 1 13 13 GLY H H 1 8.271 . . 1 . . . . 13 GLY H . 18268 1 61 . 1 1 13 13 GLY HA2 H 1 3.969 . . 1 . . . . 13 GLY HA2 . 18268 1 62 . 1 1 13 13 GLY HA3 H 1 3.969 . . 1 . . . . 13 GLY HA3 . 18268 1 63 . 1 1 13 13 GLY CA C 13 45.56 . . 1 . . . . 13 GLY CA . 18268 1 64 . 1 1 13 13 GLY N N 15 109.1 . . 1 . . . . 13 GLY N . 18268 1 65 . 1 1 14 14 GLY H H 1 8.228 . . 1 . . . . 14 GLY H . 18268 1 66 . 1 1 14 14 GLY HA2 H 1 3.974 . . 1 . . . . 14 GLY HA2 . 18268 1 67 . 1 1 14 14 GLY HA3 H 1 3.974 . . 1 . . . . 14 GLY HA3 . 18268 1 68 . 1 1 14 14 GLY CA C 13 45.49 . . 1 . . . . 14 GLY CA . 18268 1 69 . 1 1 14 14 GLY N N 15 108.5 . . 1 . . . . 14 GLY N . 18268 1 70 . 1 1 15 15 GLY H H 1 8.303 . . 1 . . . . 15 GLY H . 18268 1 71 . 1 1 15 15 GLY HA2 H 1 3.945 . . 1 . . . . 15 GLY HA2 . 18268 1 72 . 1 1 15 15 GLY HA3 H 1 3.945 . . 1 . . . . 15 GLY HA3 . 18268 1 73 . 1 1 15 15 GLY CA C 13 45.24 . . 1 . . . . 15 GLY CA . 18268 1 74 . 1 1 15 15 GLY N N 15 108.5 . . 1 . . . . 15 GLY N . 18268 1 75 . 1 1 16 16 LYS H H 1 8.057 . . 1 . . . . 16 LYS H . 18268 1 76 . 1 1 16 16 LYS HA H 1 4.305 . . 1 . . . . 16 LYS HA . 18268 1 77 . 1 1 16 16 LYS CA C 13 56.07 . . 1 . . . . 16 LYS CA . 18268 1 78 . 1 1 16 16 LYS CB C 13 33.20 . . 1 . . . . 16 LYS CB . 18268 1 79 . 1 1 16 16 LYS N N 15 120.5 . . 1 . . . . 16 LYS N . 18268 1 80 . 1 1 17 17 LEU H H 1 8.108 . . 1 . . . . 17 LEU H . 18268 1 81 . 1 1 17 17 LEU HA H 1 4.224 . . 1 . . . . 17 LEU HA . 18268 1 82 . 1 1 17 17 LEU CA C 13 54.89 . . 1 . . . . 17 LEU CA . 18268 1 83 . 1 1 17 17 LEU CB C 13 42.67 . . 1 . . . . 17 LEU CB . 18268 1 84 . 1 1 17 17 LEU N N 15 123.1 . . 1 . . . . 17 LEU N . 18268 1 85 . 1 1 18 18 ASN H H 1 8.454 . . 1 . . . . 18 ASN H . 18268 1 86 . 1 1 18 18 ASN HA H 1 4.941 . . 1 . . . . 18 ASN HA . 18268 1 87 . 1 1 18 18 ASN HB2 H 1 2.911 . . 1 . . . . 18 ASN HB2 . 18268 1 88 . 1 1 18 18 ASN HB3 H 1 2.735 . . 1 . . . . 18 ASN HB3 . 18268 1 89 . 1 1 18 18 ASN CA C 13 52.23 . . 1 . . . . 18 ASN CA . 18268 1 90 . 1 1 18 18 ASN CB C 13 38.62 . . 1 . . . . 18 ASN CB . 18268 1 91 . 1 1 18 18 ASN N N 15 120.5 . . 1 . . . . 18 ASN N . 18268 1 92 . 1 1 19 19 PHE H H 1 8.405 . . 1 . . . . 19 PHE H . 18268 1 93 . 1 1 19 19 PHE HA H 1 4.097 . . 1 . . . . 19 PHE HA . 18268 1 94 . 1 1 19 19 PHE HB2 H 1 2.891 . . 1 . . . . 19 PHE HB2 . 18268 1 95 . 1 1 19 19 PHE HB3 H 1 2.891 . . 1 . . . . 19 PHE HB3 . 18268 1 96 . 1 1 19 19 PHE CA C 13 60.69 . . 1 . . . . 19 PHE CA . 18268 1 97 . 1 1 19 19 PHE CB C 13 38.65 . . 1 . . . . 19 PHE CB . 18268 1 98 . 1 1 19 19 PHE N N 15 122.5 . . 1 . . . . 19 PHE N . 18268 1 99 . 1 1 20 20 ASP H H 1 8.269 . . 1 . . . . 20 ASP H . 18268 1 100 . 1 1 20 20 ASP HA H 1 4.441 . . 1 . . . . 20 ASP HA . 18268 1 101 . 1 1 20 20 ASP CA C 13 57.38 . . 1 . . . . 20 ASP CA . 18268 1 102 . 1 1 20 20 ASP CB C 13 40.55 . . 1 . . . . 20 ASP CB . 18268 1 103 . 1 1 20 20 ASP N N 15 119.6 . . 1 . . . . 20 ASP N . 18268 1 104 . 1 1 21 21 GLU H H 1 7.912 . . 1 . . . . 21 GLU H . 18268 1 105 . 1 1 21 21 GLU HA H 1 4.053 . . 1 . . . . 21 GLU HA . 18268 1 106 . 1 1 21 21 GLU CA C 13 58.71 . . 1 . . . . 21 GLU CA . 18268 1 107 . 1 1 21 21 GLU CB C 13 29.98 . . 1 . . . . 21 GLU CB . 18268 1 108 . 1 1 21 21 GLU N N 15 120.5 . . 1 . . . . 21 GLU N . 18268 1 109 . 1 1 22 22 LEU H H 1 8.076 . . 1 . . . . 22 LEU H . 18268 1 110 . 1 1 22 22 LEU HA H 1 4.221 . . 1 . . . . 22 LEU HA . 18268 1 111 . 1 1 22 22 LEU CA C 13 57.4 . . 1 . . . . 22 LEU CA . 18268 1 112 . 1 1 22 22 LEU CB C 13 42.08 . . 1 . . . . 22 LEU CB . 18268 1 113 . 1 1 22 22 LEU N N 15 121.2 . . 1 . . . . 22 LEU N . 18268 1 114 . 1 1 23 23 ARG H H 1 8.5 . . 1 . . . . 23 ARG H . 18268 1 115 . 1 1 23 23 ARG HA H 1 3.916 . . 1 . . . . 23 ARG HA . 18268 1 116 . 1 1 23 23 ARG CA C 13 59.79 . . 1 . . . . 23 ARG CA . 18268 1 117 . 1 1 23 23 ARG CB C 13 30.18 . . 1 . . . . 23 ARG CB . 18268 1 118 . 1 1 23 23 ARG N N 15 119.1 . . 1 . . . . 23 ARG N . 18268 1 119 . 1 1 24 24 GLN H H 1 7.746 . . 1 . . . . 24 GLN H . 18268 1 120 . 1 1 24 24 GLN HA H 1 4.071 . . 1 . . . . 24 GLN HA . 18268 1 121 . 1 1 24 24 GLN CA C 13 58.35 . . 1 . . . . 24 GLN CA . 18268 1 122 . 1 1 24 24 GLN CB C 13 28.65 . . 1 . . . . 24 GLN CB . 18268 1 123 . 1 1 24 24 GLN N N 15 117.2 . . 1 . . . . 24 GLN N . 18268 1 124 . 1 1 25 25 ASP H H 1 8.141 . . 1 . . . . 25 ASP H . 18268 1 125 . 1 1 25 25 ASP HA H 1 4.452 . . 1 . . . . 25 ASP HA . 18268 1 126 . 1 1 25 25 ASP CA C 13 56.89 . . 1 . . . . 25 ASP CA . 18268 1 127 . 1 1 25 25 ASP CB C 13 41.75 . . 1 . . . . 25 ASP CB . 18268 1 128 . 1 1 25 25 ASP N N 15 121.4 . . 1 . . . . 25 ASP N . 18268 1 129 . 1 1 26 26 LEU H H 1 8.462 . . 1 . . . . 26 LEU H . 18268 1 130 . 1 1 26 26 LEU HA H 1 4.171 . . 1 . . . . 26 LEU HA . 18268 1 131 . 1 1 26 26 LEU CA C 13 57.45 . . 1 . . . . 26 LEU CA . 18268 1 132 . 1 1 26 26 LEU CB C 13 41.83 . . 1 . . . . 26 LEU CB . 18268 1 133 . 1 1 26 26 LEU N N 15 119.0 . . 1 . . . . 26 LEU N . 18268 1 134 . 1 1 27 27 LYS H H 1 8.561 . . 1 . . . . 27 LYS H . 18268 1 135 . 1 1 27 27 LYS HA H 1 4.306 . . 1 . . . . 27 LYS HA . 18268 1 136 . 1 1 27 27 LYS CA C 13 58.78 . . 1 . . . . 27 LYS CA . 18268 1 137 . 1 1 27 27 LYS CB C 13 31.73 . . 1 . . . . 27 LYS CB . 18268 1 138 . 1 1 27 27 LYS N N 15 121.8 . . 1 . . . . 27 LYS N . 18268 1 139 . 1 1 28 28 GLY H H 1 8.21 . . 1 . . . . 28 GLY H . 18268 1 140 . 1 1 28 28 GLY HA2 H 1 3.965 . . 1 . . . . 28 GLY HA2 . 18268 1 141 . 1 1 28 28 GLY HA3 H 1 3.965 . . 1 . . . . 28 GLY HA3 . 18268 1 142 . 1 1 28 28 GLY CA C 13 46.45 . . 1 . . . . 28 GLY CA . 18268 1 143 . 1 1 28 28 GLY N N 15 108.9 . . 1 . . . . 28 GLY N . 18268 1 144 . 1 1 29 29 LYS H H 1 7.551 . . 1 . . . . 29 LYS H . 18268 1 145 . 1 1 29 29 LYS HA H 1 4.34 . . 1 . . . . 29 LYS HA . 18268 1 146 . 1 1 29 29 LYS CA C 13 56.44 . . 1 . . . . 29 LYS CA . 18268 1 147 . 1 1 29 29 LYS CB C 13 33.46 . . 1 . . . . 29 LYS CB . 18268 1 148 . 1 1 29 29 LYS N N 15 119.2 . . 1 . . . . 29 LYS N . 18268 1 149 . 1 1 30 30 GLY H H 1 7.93 . . 1 . . . . 30 GLY H . 18268 1 150 . 1 1 30 30 GLY HA2 H 1 4.139 . . 1 . . . . 30 GLY HA2 . 18268 1 151 . 1 1 30 30 GLY HA3 H 1 3.738 . . 1 . . . . 30 GLY HA3 . 18268 1 152 . 1 1 30 30 GLY CA C 13 45.34 . . 1 . . . . 30 GLY CA . 18268 1 153 . 1 1 30 30 GLY N N 15 106.8 . . 1 . . . . 30 GLY N . 18268 1 154 . 1 1 31 31 HIS H H 1 7.689 . . 1 . . . . 31 HIS H . 18268 1 155 . 1 1 31 31 HIS HA H 1 4.653 . . 1 . . . . 31 HIS HA . 18268 1 156 . 1 1 31 31 HIS CA C 13 56.73 . . 1 . . . . 31 HIS CA . 18268 1 157 . 1 1 31 31 HIS CB C 13 30.17 . . 1 . . . . 31 HIS CB . 18268 1 158 . 1 1 31 31 HIS N N 15 119 . . 1 . . . . 31 HIS N . 18268 1 159 . 1 1 32 32 THR H H 1 8.596 . . 1 . . . . 32 THR H . 18268 1 160 . 1 1 32 32 THR HA H 1 4.402 . . 1 . . . . 32 THR HA . 18268 1 161 . 1 1 32 32 THR CA C 13 60.7 . . 1 . . . . 32 THR CA . 18268 1 162 . 1 1 32 32 THR CB C 13 70.84 . . 1 . . . . 32 THR CB . 18268 1 163 . 1 1 32 32 THR N N 15 113.4 . . 1 . . . . 32 THR N . 18268 1 164 . 1 1 33 33 ASP H H 1 8.764 . . 1 . . . . 33 ASP H . 18268 1 165 . 1 1 33 33 ASP HA H 1 4.366 . . 1 . . . . 33 ASP HA . 18268 1 166 . 1 1 33 33 ASP CA C 13 57.71 . . 1 . . . . 33 ASP CA . 18268 1 167 . 1 1 33 33 ASP CB C 13 40.14 . . 1 . . . . 33 ASP CB . 18268 1 168 . 1 1 33 33 ASP N N 15 121.1 . . 1 . . . . 33 ASP N . 18268 1 169 . 1 1 34 34 ALA H H 1 8.351 . . 1 . . . . 34 ALA H . 18268 1 170 . 1 1 34 34 ALA HA H 1 4.197 . . 1 . . . . 34 ALA HA . 18268 1 171 . 1 1 34 34 ALA HB1 H 1 1.39 . . 1 . . . . 34 ALA MB . 18268 1 172 . 1 1 34 34 ALA HB2 H 1 1.39 . . 1 . . . . 34 ALA MB . 18268 1 173 . 1 1 34 34 ALA HB3 H 1 1.39 . . 1 . . . . 34 ALA MB . 18268 1 174 . 1 1 34 34 ALA CA C 13 54.74 . . 1 . . . . 34 ALA CA . 18268 1 175 . 1 1 34 34 ALA CB C 13 18.52 . . 1 . . . . 34 ALA CB . 18268 1 176 . 1 1 34 34 ALA N N 15 121.7 . . 1 . . . . 34 ALA N . 18268 1 177 . 1 1 35 35 GLU H H 1 7.831 . . 1 . . . . 35 GLU H . 18268 1 178 . 1 1 35 35 GLU HA H 1 4.016 . . 1 . . . . 35 GLU HA . 18268 1 179 . 1 1 35 35 GLU CA C 13 58.6 . . 1 . . . . 35 GLU CA . 18268 1 180 . 1 1 35 35 GLU CB C 13 30.24 . . 1 . . . . 35 GLU CB . 18268 1 181 . 1 1 35 35 GLU N N 15 119.8 . . 1 . . . . 35 GLU N . 18268 1 182 . 1 1 36 36 ILE H H 1 8.173 . . 1 . . . . 36 ILE H . 18268 1 183 . 1 1 36 36 ILE HA H 1 3.435 . . 1 . . . . 36 ILE HA . 18268 1 184 . 1 1 36 36 ILE CA C 13 65.02 . . 1 . . . . 36 ILE CA . 18268 1 185 . 1 1 36 36 ILE CB C 13 38.21 . . 1 . . . . 36 ILE CB . 18268 1 186 . 1 1 36 36 ILE N N 15 120.5 . . 1 . . . . 36 ILE N . 18268 1 187 . 1 1 37 37 GLU H H 1 8.157 . . 1 . . . . 37 GLU H . 18268 1 188 . 1 1 37 37 GLU HA H 1 3.964 . . 1 . . . . 37 GLU HA . 18268 1 189 . 1 1 37 37 GLU CA C 13 58.93 . . 1 . . . . 37 GLU CA . 18268 1 190 . 1 1 37 37 GLU CB C 13 29.44 . . 1 . . . . 37 GLU CB . 18268 1 191 . 1 1 37 37 GLU N N 15 119.4 . . 1 . . . . 37 GLU N . 18268 1 192 . 1 1 38 38 ALA H H 1 7.628 . . 1 . . . . 38 ALA H . 18268 1 193 . 1 1 38 38 ALA HA H 1 4.171 . . 1 . . . . 38 ALA HA . 18268 1 194 . 1 1 38 38 ALA HB1 H 1 1.456 . . 1 . . . . 38 ALA MB . 18268 1 195 . 1 1 38 38 ALA HB2 H 1 1.456 . . 1 . . . . 38 ALA MB . 18268 1 196 . 1 1 38 38 ALA HB3 H 1 1.456 . . 1 . . . . 38 ALA MB . 18268 1 197 . 1 1 38 38 ALA CA C 13 54.55 . . 1 . . . . 38 ALA CA . 18268 1 198 . 1 1 38 38 ALA CB C 13 18.31 . . 1 . . . . 38 ALA CB . 18268 1 199 . 1 1 38 38 ALA N N 15 121.4 . . 1 . . . . 38 ALA N . 18268 1 200 . 1 1 39 39 ILE H H 1 7.88 . . 1 . . . . 39 ILE H . 18268 1 201 . 1 1 39 39 ILE HA H 1 3.728 . . 1 . . . . 39 ILE HA . 18268 1 202 . 1 1 39 39 ILE CA C 13 64.31 . . 1 . . . . 39 ILE CA . 18268 1 203 . 1 1 39 39 ILE CB C 13 38.32 . . 1 . . . . 39 ILE CB . 18268 1 204 . 1 1 39 39 ILE N N 15 120.5 . . 1 . . . . 39 ILE N . 18268 1 205 . 1 1 40 40 PHE H H 1 8.304 . . 1 . . . . 40 PHE H . 18268 1 206 . 1 1 40 40 PHE HA H 1 4.434 . . 1 . . . . 40 PHE HA . 18268 1 207 . 1 1 40 40 PHE HB2 H 1 3.134 . . 1 . . . . 40 PHE HB2 . 18268 1 208 . 1 1 40 40 PHE HB3 H 1 3.134 . . 1 . . . . 40 PHE HB3 . 18268 1 209 . 1 1 40 40 PHE CA C 13 58.97 . . 1 . . . . 40 PHE CA . 18268 1 210 . 1 1 40 40 PHE CB C 13 38.1 . . 1 . . . . 40 PHE CB . 18268 1 211 . 1 1 40 40 PHE N N 15 119.4 . . 1 . . . . 40 PHE N . 18268 1 212 . 1 1 41 41 THR H H 1 8.056 . . 1 . . . . 41 THR H . 18268 1 213 . 1 1 41 41 THR HA H 1 4.151 . . 1 . . . . 41 THR HA . 18268 1 214 . 1 1 41 41 THR CA C 13 64.69 . . 1 . . . . 41 THR CA . 18268 1 215 . 1 1 41 41 THR CB C 13 69.41 . . 1 . . . . 41 THR CB . 18268 1 216 . 1 1 41 41 THR N N 15 114.3 . . 1 . . . . 41 THR N . 18268 1 217 . 1 1 42 42 LYS H H 1 7.662 . . 1 . . . . 42 LYS H . 18268 1 218 . 1 1 42 42 LYS HA H 1 4.162 . . 1 . . . . 42 LYS HA . 18268 1 219 . 1 1 42 42 LYS CA C 13 57.39 . . 1 . . . . 42 LYS CA . 18268 1 220 . 1 1 42 42 LYS CB C 13 32.48 . . 1 . . . . 42 LYS CB . 18268 1 221 . 1 1 42 42 LYS N N 15 121.4 . . 1 . . . . 42 LYS N . 18268 1 222 . 1 1 43 43 TYR H H 1 7.862 . . 1 . . . . 43 TYR H . 18268 1 223 . 1 1 43 43 TYR HA H 1 4.489 . . 1 . . . . 43 TYR HA . 18268 1 224 . 1 1 43 43 TYR CA C 13 58.68 . . 1 . . . . 43 TYR CA . 18268 1 225 . 1 1 43 43 TYR CB C 13 38.77 . . 1 . . . . 43 TYR CB . 18268 1 226 . 1 1 43 43 TYR N N 15 119.5 . . 1 . . . . 43 TYR N . 18268 1 227 . 1 1 44 44 ASP H H 1 8.09 . . 1 . . . . 44 ASP H . 18268 1 228 . 1 1 44 44 ASP HA H 1 4.552 . . 1 . . . . 44 ASP HA . 18268 1 229 . 1 1 44 44 ASP CA C 13 54.82 . . 1 . . . . 44 ASP CA . 18268 1 230 . 1 1 44 44 ASP CB C 13 41.39 . . 1 . . . . 44 ASP CB . 18268 1 231 . 1 1 44 44 ASP N N 15 120.9 . . 1 . . . . 44 ASP N . 18268 1 232 . 1 1 45 45 GLN H H 1 8.094 . . 1 . . . . 45 GLN H . 18268 1 233 . 1 1 45 45 GLN HA H 1 4.269 . . 1 . . . . 45 GLN HA . 18268 1 234 . 1 1 45 45 GLN CA C 13 56.32 . . 1 . . . . 45 GLN CA . 18268 1 235 . 1 1 45 45 GLN CB C 13 29.51 . . 1 . . . . 45 GLN CB . 18268 1 236 . 1 1 45 45 GLN N N 15 119.8 . . 1 . . . . 45 GLN N . 18268 1 237 . 1 1 46 46 ASP H H 1 8.324 . . 1 . . . . 46 ASP H . 18268 1 238 . 1 1 46 46 ASP HA H 1 4.625 . . 1 . . . . 46 ASP HA . 18268 1 239 . 1 1 46 46 ASP CA C 13 54.84 . . 1 . . . . 46 ASP CA . 18268 1 240 . 1 1 46 46 ASP CB C 13 41.39 . . 1 . . . . 46 ASP CB . 18268 1 241 . 1 1 46 46 ASP N N 15 120.9 . . 1 . . . . 46 ASP N . 18268 1 242 . 1 1 47 47 GLY H H 1 8.18 . . 1 . . . . 47 GLY H . 18268 1 243 . 1 1 47 47 GLY HA2 H 1 3.931 . . 1 . . . . 47 GLY HA2 . 18268 1 244 . 1 1 47 47 GLY HA3 H 1 3.931 . . 1 . . . . 47 GLY HA3 . 18268 1 245 . 1 1 47 47 GLY CA C 13 45.63 . . 1 . . . . 47 GLY CA . 18268 1 246 . 1 1 47 47 GLY N N 15 109 . . 1 . . . . 47 GLY N . 18268 1 247 . 1 1 48 48 ASP H H 1 8.24 . . 1 . . . . 48 ASP H . 18268 1 248 . 1 1 48 48 ASP CA C 13 54.49 . . 1 . . . . 48 ASP CA . 18268 1 249 . 1 1 48 48 ASP CB C 13 41.05 . . 1 . . . . 48 ASP CB . 18268 1 250 . 1 1 48 48 ASP N N 15 120.4 . . 1 . . . . 48 ASP N . 18268 1 251 . 1 1 49 49 GLN H H 1 8.306 . . 1 . . . . 49 GLN H . 18268 1 252 . 1 1 49 49 GLN HA H 1 4.268 . . 1 . . . . 49 GLN HA . 18268 1 253 . 1 1 49 49 GLN CA C 13 56.11 . . 1 . . . . 49 GLN CA . 18268 1 254 . 1 1 49 49 GLN CB C 13 29.54 . . 1 . . . . 49 GLN CB . 18268 1 255 . 1 1 49 49 GLN N N 15 120.3 . . 1 . . . . 49 GLN N . 18268 1 256 . 1 1 50 50 GLU H H 1 8.413 . . 1 . . . . 50 GLU H . 18268 1 257 . 1 1 50 50 GLU HA H 1 4.261 . . 1 . . . . 50 GLU HA . 18268 1 258 . 1 1 50 50 GLU CA C 13 56.67 . . 1 . . . . 50 GLU CA . 18268 1 259 . 1 1 50 50 GLU CB C 13 30.2 . . 1 . . . . 50 GLU CB . 18268 1 260 . 1 1 50 50 GLU N N 15 121.8 . . 1 . . . . 50 GLU N . 18268 1 261 . 1 1 51 51 LEU H H 1 8.242 . . 1 . . . . 51 LEU H . 18268 1 262 . 1 1 51 51 LEU HA H 1 4.389 . . 1 . . . . 51 LEU HA . 18268 1 263 . 1 1 51 51 LEU CA C 13 55.25 . . 1 . . . . 51 LEU CA . 18268 1 264 . 1 1 51 51 LEU CB C 13 42.33 . . 1 . . . . 51 LEU CB . 18268 1 265 . 1 1 51 51 LEU N N 15 123.2 . . 1 . . . . 51 LEU N . 18268 1 266 . 1 1 52 52 THR H H 1 8.158 . . 1 . . . . 52 THR H . 18268 1 267 . 1 1 52 52 THR HA H 1 4.307 . . 1 . . . . 52 THR HA . 18268 1 268 . 1 1 52 52 THR CA C 13 61.97 . . 1 . . . . 52 THR CA . 18268 1 269 . 1 1 52 52 THR CB C 13 70.08 . . 1 . . . . 52 THR CB . 18268 1 270 . 1 1 52 52 THR N N 15 114.7 . . 1 . . . . 52 THR N . 18268 1 271 . 1 1 53 53 GLU H H 1 8.406 . . 1 . . . . 53 GLU H . 18268 1 272 . 1 1 53 53 GLU HA H 1 4.226 . . 1 . . . . 53 GLU HA . 18268 1 273 . 1 1 53 53 GLU CA C 13 57.26 . . 1 . . . . 53 GLU CA . 18268 1 274 . 1 1 53 53 GLU CB C 13 30.16 . . 1 . . . . 53 GLU CB . 18268 1 275 . 1 1 53 53 GLU N N 15 122.6 . . 1 . . . . 53 GLU N . 18268 1 276 . 1 1 54 54 HIS H H 1 8.339 . . 1 . . . . 54 HIS H . 18268 1 277 . 1 1 54 54 HIS HA H 1 4.612 . . 1 . . . . 54 HIS HA . 18268 1 278 . 1 1 54 54 HIS HB2 H 1 3.126 . . 1 . . . . 54 HIS HB2 . 18268 1 279 . 1 1 54 54 HIS HB3 H 1 3.126 . . 1 . . . . 54 HIS HB3 . 18268 1 280 . 1 1 54 54 HIS CA C 13 57.1 . . 1 . . . . 54 HIS CA . 18268 1 281 . 1 1 54 54 HIS CB C 13 30.71 . . 1 . . . . 54 HIS CB . 18268 1 282 . 1 1 54 54 HIS N N 15 120.1 . . 1 . . . . 54 HIS N . 18268 1 283 . 1 1 55 55 GLU CA C 13 56.71 . . 1 . . . . 55 GLU CA . 18268 1 284 . 1 1 55 55 GLU CB C 13 30.76 . . 1 . . . . 55 GLU CB . 18268 1 285 . 1 1 56 56 HIS H H 1 8.252 . . 1 . . . . 56 HIS H . 18268 1 286 . 1 1 56 56 HIS CA C 13 57.19 . . 1 . . . . 56 HIS CA . 18268 1 287 . 1 1 56 56 HIS CB C 13 30.52 . . 1 . . . . 56 HIS CB . 18268 1 288 . 1 1 56 56 HIS N N 15 121.4 . . 1 . . . . 56 HIS N . 18268 1 289 . 1 1 57 57 GLN H H 1 8.241 . . 1 . . . . 57 GLN H . 18268 1 290 . 1 1 57 57 GLN CB C 13 29.63 . . 1 . . . . 57 GLN CB . 18268 1 291 . 1 1 57 57 GLN N N 15 120.9 . . 1 . . . . 57 GLN N . 18268 1 292 . 1 1 58 58 GLN CA C 13 56.67 . . 1 . . . . 58 GLN CA . 18268 1 293 . 1 1 58 58 GLN CB C 13 29.3 . . 1 . . . . 58 GLN CB . 18268 1 294 . 1 1 59 59 MET H H 1 8.308 . . 1 . . . . 59 MET H . 18268 1 295 . 1 1 59 59 MET CA C 13 55.89 . . 1 . . . . 59 MET CA . 18268 1 296 . 1 1 59 59 MET CB C 13 32.78 . . 1 . . . . 59 MET CB . 18268 1 297 . 1 1 59 59 MET N N 15 121.4 . . 1 . . . . 59 MET N . 18268 1 298 . 1 1 60 60 ARG H H 1 8.223 . . 1 . . . . 60 ARG H . 18268 1 299 . 1 1 60 60 ARG HA H 1 4.301 . . 1 . . . . 60 ARG HA . 18268 1 300 . 1 1 60 60 ARG CA C 13 56.4 . . 1 . . . . 60 ARG CA . 18268 1 301 . 1 1 60 60 ARG CB C 13 31.03 . . 1 . . . . 60 ARG CB . 18268 1 302 . 1 1 60 60 ARG N N 15 121.9 . . 1 . . . . 60 ARG N . 18268 1 303 . 1 1 61 61 ASP H H 1 8.389 . . 1 . . . . 61 ASP H . 18268 1 304 . 1 1 61 61 ASP HA H 1 4.564 . . 1 . . . . 61 ASP HA . 18268 1 305 . 1 1 61 61 ASP CA C 13 54.74 . . 1 . . . . 61 ASP CA . 18268 1 306 . 1 1 61 61 ASP CB C 13 41.26 . . 1 . . . . 61 ASP CB . 18268 1 307 . 1 1 61 61 ASP N N 15 121.5 . . 1 . . . . 61 ASP N . 18268 1 308 . 1 1 62 62 ASP H H 1 8.319 . . 1 . . . . 62 ASP H . 18268 1 309 . 1 1 62 62 ASP HA H 1 4.55 . . 1 . . . . 62 ASP HA . 18268 1 310 . 1 1 62 62 ASP CA C 13 54.79 . . 1 . . . . 62 ASP CA . 18268 1 311 . 1 1 62 62 ASP CB C 13 40.96 . . 1 . . . . 62 ASP CB . 18268 1 312 . 1 1 62 62 ASP N N 15 120.2 . . 1 . . . . 62 ASP N . 18268 1 313 . 1 1 63 63 LEU H H 1 8.011 . . 1 . . . . 63 LEU H . 18268 1 314 . 1 1 63 63 LEU HA H 1 4.254 . . 1 . . . . 63 LEU HA . 18268 1 315 . 1 1 63 63 LEU CA C 13 55.87 . . 1 . . . . 63 LEU CA . 18268 1 316 . 1 1 63 63 LEU CB C 13 42.27 . . 1 . . . . 63 LEU CB . 18268 1 317 . 1 1 63 63 LEU N N 15 121.3 . . 1 . . . . 63 LEU N . 18268 1 318 . 1 1 64 64 GLU H H 1 8.219 . . 1 . . . . 64 GLU H . 18268 1 319 . 1 1 64 64 GLU HA H 1 4.205 . . 1 . . . . 64 GLU HA . 18268 1 320 . 1 1 64 64 GLU CA C 13 57.06 . . 1 . . . . 64 GLU CA . 18268 1 321 . 1 1 64 64 GLU CB C 13 29.99 . . 1 . . . . 64 GLU CB . 18268 1 322 . 1 1 64 64 GLU N N 15 120.6 . . 1 . . . . 64 GLU N . 18268 1 323 . 1 1 65 65 LYS H H 1 8.018 . . 1 . . . . 65 LYS H . 18268 1 324 . 1 1 65 65 LYS HA H 1 4.386 . . 1 . . . . 65 LYS HA . 18268 1 325 . 1 1 65 65 LYS CA C 13 56.66 . . 1 . . . . 65 LYS CA . 18268 1 326 . 1 1 65 65 LYS CB C 13 33.14 . . 1 . . . . 65 LYS CB . 18268 1 327 . 1 1 65 65 LYS N N 15 121.4 . . 1 . . . . 65 LYS N . 18268 1 328 . 1 1 66 66 GLU H H 1 8.34 . . 1 . . . . 66 GLU H . 18268 1 329 . 1 1 66 66 GLU HA H 1 4.225 . . 1 . . . . 66 GLU HA . 18268 1 330 . 1 1 66 66 GLU CA C 13 56.95 . . 1 . . . . 66 GLU CA . 18268 1 331 . 1 1 66 66 GLU CB C 13 30.12 . . 1 . . . . 66 GLU CB . 18268 1 332 . 1 1 66 66 GLU N N 15 121.4 . . 1 . . . . 66 GLU N . 18268 1 333 . 1 1 67 67 ARG H H 1 8.181 . . 1 . . . . 67 ARG H . 18268 1 334 . 1 1 67 67 ARG HA H 1 4.294 . . 1 . . . . 67 ARG HA . 18268 1 335 . 1 1 67 67 ARG CA C 13 56.35 . . 1 . . . . 67 ARG CA . 18268 1 336 . 1 1 67 67 ARG CB C 13 31.04 . . 1 . . . . 67 ARG CB . 18268 1 337 . 1 1 67 67 ARG N N 15 121.3 . . 1 . . . . 67 ARG N . 18268 1 338 . 1 1 68 68 GLU H H 1 8.437 . . 1 . . . . 68 GLU H . 18268 1 339 . 1 1 68 68 GLU HA H 1 4.265 . . 1 . . . . 68 GLU HA . 18268 1 340 . 1 1 68 68 GLU CA C 13 56.71 . . 1 . . . . 68 GLU CA . 18268 1 341 . 1 1 68 68 GLU CB C 13 30.59 . . 1 . . . . 68 GLU CB . 18268 1 342 . 1 1 68 68 GLU N N 15 122 . . 1 . . . . 68 GLU N . 18268 1 343 . 1 1 69 69 ASP H H 1 8.382 . . 1 . . . . 69 ASP H . 18268 1 344 . 1 1 69 69 ASP HA H 1 4.589 . . 1 . . . . 69 ASP HA . 18268 1 345 . 1 1 69 69 ASP CA C 13 54.31 . . 1 . . . . 69 ASP CA . 18268 1 346 . 1 1 69 69 ASP CB C 13 41.03 . . 1 . . . . 69 ASP CB . 18268 1 347 . 1 1 69 69 ASP N N 15 120.9 . . 1 . . . . 69 ASP N . 18268 1 348 . 1 1 70 70 LEU H H 1 8.001 . . 1 . . . . 70 LEU H . 18268 1 349 . 1 1 70 70 LEU CA C 13 55.35 . . 1 . . . . 70 LEU CA . 18268 1 350 . 1 1 70 70 LEU CB C 13 42.58 . . 1 . . . . 70 LEU CB . 18268 1 351 . 1 1 70 70 LEU N N 15 122.2 . . 1 . . . . 70 LEU N . 18268 1 352 . 1 1 71 71 ASP H H 1 8.305 . . 1 . . . . 71 ASP H . 18268 1 353 . 1 1 71 71 ASP HA H 1 4.614 . . 1 . . . . 71 ASP HA . 18268 1 354 . 1 1 71 71 ASP CA C 13 54.34 . . 1 . . . . 71 ASP CA . 18268 1 355 . 1 1 71 71 ASP CB C 13 41.08 . . 1 . . . . 71 ASP CB . 18268 1 356 . 1 1 71 71 ASP N N 15 120.9 . . 1 . . . . 71 ASP N . 18268 1 357 . 1 1 72 72 LEU CA C 13 55.44 . . 1 . . . . 72 LEU CA . 18268 1 358 . 1 1 72 72 LEU CB C 13 42.41 . . 1 . . . . 72 LEU CB . 18268 1 359 . 1 1 73 73 ASP H H 1 8.25 . . 1 . . . . 73 ASP H . 18268 1 360 . 1 1 73 73 ASP HA H 1 4.602 . . 1 . . . . 73 ASP HA . 18268 1 361 . 1 1 73 73 ASP CA C 13 54.47 . . 1 . . . . 73 ASP CA . 18268 1 362 . 1 1 73 73 ASP CB C 13 41.14 . . 1 . . . . 73 ASP CB . 18268 1 363 . 1 1 73 73 ASP N N 15 120.3 . . 1 . . . . 73 ASP N . 18268 1 364 . 1 1 74 74 HIS H H 1 7.69 . . 1 . . . . 74 HIS H . 18268 1 365 . 1 1 74 74 HIS HA H 1 4.426 . . 1 . . . . 74 HIS HA . 18268 1 366 . 1 1 74 74 HIS CA C 13 57.23 . . 1 . . . . 74 HIS CA . 18268 1 367 . 1 1 74 74 HIS CB C 13 30.65 . . 1 . . . . 74 HIS CB . 18268 1 368 . 1 1 74 74 HIS N N 15 123.4 . . 1 . . . . 74 HIS N . 18268 1 369 . 1 1 76 76 SER H H 1 8.211 . . 1 . . . . 76 SER H . 18268 1 370 . 1 1 76 76 SER HA H 1 4.465 . . 1 . . . . 76 SER HA . 18268 1 371 . 1 1 76 76 SER HB2 H 1 3.883 . . 1 . . . . 76 SER HB2 . 18268 1 372 . 1 1 76 76 SER HB3 H 1 3.883 . . 1 . . . . 76 SER HB3 . 18268 1 373 . 1 1 76 76 SER CA C 13 58.23 . . 1 . . . . 76 SER CA . 18268 1 374 . 1 1 76 76 SER CB C 13 63.86 . . 1 . . . . 76 SER CB . 18268 1 375 . 1 1 76 76 SER N N 15 117.7 . . 1 . . . . 76 SER N . 18268 1 376 . 1 1 77 77 LEU H H 1 8.032 . . 1 . . . . 77 LEU H . 18268 1 377 . 1 1 77 77 LEU HA H 1 4.615 . . 1 . . . . 77 LEU HA . 18268 1 378 . 1 1 77 77 LEU CA C 13 53.12 . . 1 . . . . 77 LEU CA . 18268 1 379 . 1 1 77 77 LEU CB C 13 41.65 . . 1 . . . . 77 LEU CB . 18268 1 380 . 1 1 77 77 LEU N N 15 125.5 . . 1 . . . . 77 LEU N . 18268 1 stop_ save_