data_30958 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30958 _Entry.Title ; Filamin complex-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-04 _Entry.Accession_date 2021-10-04 _Entry.Last_release_date 2021-11-01 _Entry.Original_release_date 2021-11-01 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _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 J. Liu J. . . . 30958 2 J. Qin J. . . . 30958 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SIGNALING PROTEIN' . 30958 'cell adhesion' . 30958 filamin . 30958 'inside-out signaling' . 30958 integrin . 30958 'outside-in signaling' . 30958 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30958 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 167 30958 '15N chemical shifts' 90 30958 '1H chemical shifts' 550 30958 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 . . 2023-04-04 . original BMRB . 30958 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7SFT 'BMRB Entry Tracking System' 30958 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30958 _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 ; Filamin complex-2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 J. Liu J. . . . 30958 1 2 J. Qin J. . . . 30958 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30958 _Assembly.ID 1 _Assembly.Name 'Filamin-A, Integrin alpha-IIb light chain, form 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 30958 1 2 unit_2 2 $entity_2 B B yes . . . . . . 30958 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30958 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGAHKVRAGGPGLERAEAGV PAEFSIWTREAGAGGLAIAV EGPSKAEISFEDRKDGSCGV AYVVQEPGDYEVSVKFNEEH IPDSPFVVPVASPSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9762.721 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ABP-280 common 30958 1 'Actin-binding protein 280' common 30958 1 Alpha-filamin common 30958 1 'Endothelial actin-binding protein' common 30958 1 FLN-A common 30958 1 Filamin-1 common 30958 1 'Non-muscle filamin' common 30958 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 2236 GLY . 30958 1 2 2237 GLY . 30958 1 3 2238 ALA . 30958 1 4 2239 HIS . 30958 1 5 2240 LYS . 30958 1 6 2241 VAL . 30958 1 7 2242 ARG . 30958 1 8 2243 ALA . 30958 1 9 2244 GLY . 30958 1 10 2245 GLY . 30958 1 11 2246 PRO . 30958 1 12 2247 GLY . 30958 1 13 2248 LEU . 30958 1 14 2249 GLU . 30958 1 15 2250 ARG . 30958 1 16 2251 ALA . 30958 1 17 2252 GLU . 30958 1 18 2253 ALA . 30958 1 19 2254 GLY . 30958 1 20 2255 VAL . 30958 1 21 2256 PRO . 30958 1 22 2257 ALA . 30958 1 23 2258 GLU . 30958 1 24 2259 PHE . 30958 1 25 2260 SER . 30958 1 26 2261 ILE . 30958 1 27 2262 TRP . 30958 1 28 2263 THR . 30958 1 29 2264 ARG . 30958 1 30 2265 GLU . 30958 1 31 2266 ALA . 30958 1 32 2267 GLY . 30958 1 33 2268 ALA . 30958 1 34 2269 GLY . 30958 1 35 2270 GLY . 30958 1 36 2271 LEU . 30958 1 37 2272 ALA . 30958 1 38 2273 ILE . 30958 1 39 2274 ALA . 30958 1 40 2275 VAL . 30958 1 41 2276 GLU . 30958 1 42 2277 GLY . 30958 1 43 2278 PRO . 30958 1 44 2279 SER . 30958 1 45 2280 LYS . 30958 1 46 2281 ALA . 30958 1 47 2282 GLU . 30958 1 48 2283 ILE . 30958 1 49 2284 SER . 30958 1 50 2285 PHE . 30958 1 51 2286 GLU . 30958 1 52 2287 ASP . 30958 1 53 2288 ARG . 30958 1 54 2289 LYS . 30958 1 55 2290 ASP . 30958 1 56 2291 GLY . 30958 1 57 2292 SER . 30958 1 58 2293 CYS . 30958 1 59 2294 GLY . 30958 1 60 2295 VAL . 30958 1 61 2296 ALA . 30958 1 62 2297 TYR . 30958 1 63 2298 VAL . 30958 1 64 2299 VAL . 30958 1 65 2300 GLN . 30958 1 66 2301 GLU . 30958 1 67 2302 PRO . 30958 1 68 2303 GLY . 30958 1 69 2304 ASP . 30958 1 70 2305 TYR . 30958 1 71 2306 GLU . 30958 1 72 2307 VAL . 30958 1 73 2308 SER . 30958 1 74 2309 VAL . 30958 1 75 2310 LYS . 30958 1 76 2311 PHE . 30958 1 77 2312 ASN . 30958 1 78 2313 GLU . 30958 1 79 2314 GLU . 30958 1 80 2315 HIS . 30958 1 81 2316 ILE . 30958 1 82 2317 PRO . 30958 1 83 2318 ASP . 30958 1 84 2319 SER . 30958 1 85 2320 PRO . 30958 1 86 2321 PHE . 30958 1 87 2322 VAL . 30958 1 88 2323 VAL . 30958 1 89 2324 PRO . 30958 1 90 2325 VAL . 30958 1 91 2326 ALA . 30958 1 92 2327 SER . 30958 1 93 2328 PRO . 30958 1 94 2329 SER . 30958 1 95 2330 GLY . 30958 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30958 1 . GLY 2 2 30958 1 . ALA 3 3 30958 1 . HIS 4 4 30958 1 . LYS 5 5 30958 1 . VAL 6 6 30958 1 . ARG 7 7 30958 1 . ALA 8 8 30958 1 . GLY 9 9 30958 1 . GLY 10 10 30958 1 . PRO 11 11 30958 1 . GLY 12 12 30958 1 . LEU 13 13 30958 1 . GLU 14 14 30958 1 . ARG 15 15 30958 1 . ALA 16 16 30958 1 . GLU 17 17 30958 1 . ALA 18 18 30958 1 . GLY 19 19 30958 1 . VAL 20 20 30958 1 . PRO 21 21 30958 1 . ALA 22 22 30958 1 . GLU 23 23 30958 1 . PHE 24 24 30958 1 . SER 25 25 30958 1 . ILE 26 26 30958 1 . TRP 27 27 30958 1 . THR 28 28 30958 1 . ARG 29 29 30958 1 . GLU 30 30 30958 1 . ALA 31 31 30958 1 . GLY 32 32 30958 1 . ALA 33 33 30958 1 . GLY 34 34 30958 1 . GLY 35 35 30958 1 . LEU 36 36 30958 1 . ALA 37 37 30958 1 . ILE 38 38 30958 1 . ALA 39 39 30958 1 . VAL 40 40 30958 1 . GLU 41 41 30958 1 . GLY 42 42 30958 1 . PRO 43 43 30958 1 . SER 44 44 30958 1 . LYS 45 45 30958 1 . ALA 46 46 30958 1 . GLU 47 47 30958 1 . ILE 48 48 30958 1 . SER 49 49 30958 1 . PHE 50 50 30958 1 . GLU 51 51 30958 1 . ASP 52 52 30958 1 . ARG 53 53 30958 1 . LYS 54 54 30958 1 . ASP 55 55 30958 1 . GLY 56 56 30958 1 . SER 57 57 30958 1 . CYS 58 58 30958 1 . GLY 59 59 30958 1 . VAL 60 60 30958 1 . ALA 61 61 30958 1 . TYR 62 62 30958 1 . VAL 63 63 30958 1 . VAL 64 64 30958 1 . GLN 65 65 30958 1 . GLU 66 66 30958 1 . PRO 67 67 30958 1 . GLY 68 68 30958 1 . ASP 69 69 30958 1 . TYR 70 70 30958 1 . GLU 71 71 30958 1 . VAL 72 72 30958 1 . SER 73 73 30958 1 . VAL 74 74 30958 1 . LYS 75 75 30958 1 . PHE 76 76 30958 1 . ASN 77 77 30958 1 . GLU 78 78 30958 1 . GLU 79 79 30958 1 . HIS 80 80 30958 1 . ILE 81 81 30958 1 . PRO 82 82 30958 1 . ASP 83 83 30958 1 . SER 84 84 30958 1 . PRO 85 85 30958 1 . PHE 86 86 30958 1 . VAL 87 87 30958 1 . VAL 88 88 30958 1 . PRO 89 89 30958 1 . VAL 90 90 30958 1 . ALA 91 91 30958 1 . SER 92 92 30958 1 . PRO 93 93 30958 1 . SER 94 94 30958 1 . GLY 95 95 30958 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30958 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; WKVGFFKRNRPPLEEDDEEG E ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2581.789 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 988 TRP . 30958 2 2 989 LYS . 30958 2 3 990 VAL . 30958 2 4 991 GLY . 30958 2 5 992 PHE . 30958 2 6 993 PHE . 30958 2 7 994 LYS . 30958 2 8 995 ARG . 30958 2 9 996 ASN . 30958 2 10 997 ARG . 30958 2 11 998 PRO . 30958 2 12 999 PRO . 30958 2 13 1000 LEU . 30958 2 14 1001 GLU . 30958 2 15 1002 GLU . 30958 2 16 1003 ASP . 30958 2 17 1004 ASP . 30958 2 18 1005 GLU . 30958 2 19 1006 GLU . 30958 2 20 1007 GLY . 30958 2 21 1008 GLU . 30958 2 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 . TRP 1 1 30958 2 . LYS 2 2 30958 2 . VAL 3 3 30958 2 . GLY 4 4 30958 2 . PHE 5 5 30958 2 . PHE 6 6 30958 2 . LYS 7 7 30958 2 . ARG 8 8 30958 2 . ASN 9 9 30958 2 . ARG 10 10 30958 2 . PRO 11 11 30958 2 . PRO 12 12 30958 2 . LEU 13 13 30958 2 . GLU 14 14 30958 2 . GLU 15 15 30958 2 . ASP 16 16 30958 2 . ASP 17 17 30958 2 . GLU 18 18 30958 2 . GLU 19 19 30958 2 . GLY 20 20 30958 2 . GLU 21 21 30958 2 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 30958 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'FLNA, FLN, FLN1' . 30958 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'ITGA2B, GP2B, ITGAB' . 30958 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 30958 _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 phage EcSzw-2' . . 2419741 . . . . . . . . . . . . 30958 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30958 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30958 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] filamin Ig21, 2 mM Integrin alpha-IIb light chain, 90% H2O/10% D2O' _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 'filamin Ig21' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30958 1 2 'Integrin alpha-IIb light chain' 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 30958 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30958 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-15N; U-2H] filamin Ig21, 2 mM Integrin alpha-IIb light chain, 90% H2O/10% D2O' _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 'filamin Ig21' '[U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 30958 2 2 'Integrin alpha-IIb light chain' 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 30958 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30958 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM Integrin alpha-IIb light chain, 0.05 mM GST-filamin-Ig21, 90% H2O/10% D2O' _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 'Integrin alpha-IIb light chain' 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 30958 3 2 GST-filamin-Ig21 'natural abundance' . . 1 $entity_1 . . 0.05 . . mM . . . . 30958 3 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 30958 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 61 . mM 30958 1 pH 6.4 . pH 30958 1 pressure 1 . atm 30958 1 temperature 298 . K 30958 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30958 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30958 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30958 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30958 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30958 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30958 2 'peak picking' . 30958 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30958 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30958 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30958 3 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 30958 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30958 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30958 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 30958 1 2 NMR_spectrometer_2 Bruker AVANCE . 900 . . . 30958 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 30958 _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-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30958 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30958 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30958 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30958 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30958 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30958 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30958 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30958 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 30958 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 30958 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30958 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30958 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 30958 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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-1H NOESY' . . . 30958 1 2 '2D 1H-1H TOCSY' . . . 30958 1 3 '3D HN(CO)CA' . . . 30958 1 4 '3D CBCA(CO)NH' . . . 30958 1 5 '3D HCCH-TOCSY' . . . 30958 1 6 '3D HNCACB' . . . 30958 1 7 '3D 1H-15N NOESY' . . . 30958 1 8 '3D 1H-15N NOESY' . . . 30958 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 1 1 GLY H H 1 8.431 . . . . . . . A 2236 GLY H1 . 30958 1 2 . 1 . 1 1 1 GLY HA2 H 1 4.144 . . . . . . . A 2236 GLY HA2 . 30958 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.707 . . . . . . . A 2236 GLY HA3 . 30958 1 4 . 1 . 1 1 1 GLY CA C 13 43.067 . . . . . . . A 2236 GLY CA . 30958 1 5 . 1 . 1 1 1 GLY N N 15 108.803 . . . . . . . A 2236 GLY N . 30958 1 6 . 1 . 1 2 2 GLY H H 1 8.260 . . . . . . . A 2237 GLY H . 30958 1 7 . 1 . 1 2 2 GLY HA2 H 1 3.933 . . . . . . . A 2237 GLY HA2 . 30958 1 8 . 1 . 1 2 2 GLY HA3 H 1 3.762 . . . . . . . A 2237 GLY HA3 . 30958 1 9 . 1 . 1 2 2 GLY CA C 13 44.897 . . . . . . . A 2237 GLY CA . 30958 1 10 . 1 . 1 2 2 GLY N N 15 107.958 . . . . . . . A 2237 GLY N . 30958 1 11 . 1 . 1 3 3 ALA H H 1 8.735 . . . . . . . A 2238 ALA H . 30958 1 12 . 1 . 1 3 3 ALA HA H 1 4.993 . . . . . . . A 2238 ALA HA . 30958 1 13 . 1 . 1 3 3 ALA HB1 H 1 1.505 . . . . . . . A 2238 ALA HB1 . 30958 1 14 . 1 . 1 3 3 ALA HB2 H 1 1.505 . . . . . . . A 2238 ALA HB2 . 30958 1 15 . 1 . 1 3 3 ALA HB3 H 1 1.505 . . . . . . . A 2238 ALA HB3 . 30958 1 16 . 1 . 1 3 3 ALA CA C 13 53.677 . . . . . . . A 2238 ALA CA . 30958 1 17 . 1 . 1 3 3 ALA CB C 13 19.154 . . . . . . . A 2238 ALA CB . 30958 1 18 . 1 . 1 3 3 ALA N N 15 122.479 . . . . . . . A 2238 ALA N . 30958 1 19 . 1 . 1 4 4 HIS H H 1 8.110 . . . . . . . A 2239 HIS H . 30958 1 20 . 1 . 1 4 4 HIS HA H 1 4.308 . . . . . . . A 2239 HIS HA . 30958 1 21 . 1 . 1 4 4 HIS HB2 H 1 3.031 . . . . . . . A 2239 HIS HB2 . 30958 1 22 . 1 . 1 4 4 HIS HB3 H 1 3.086 . . . . . . . A 2239 HIS HB3 . 30958 1 23 . 1 . 1 4 4 HIS CA C 13 57.316 . . . . . . . A 2239 HIS CA . 30958 1 24 . 1 . 1 4 4 HIS CB C 13 28.686 . . . . . . . A 2239 HIS CB . 30958 1 25 . 1 . 1 4 4 HIS N N 15 111.437 . . . . . . . A 2239 HIS N . 30958 1 26 . 1 . 1 5 5 LYS H H 1 7.517 . . . . . . . A 2240 LYS H . 30958 1 27 . 1 . 1 5 5 LYS HG2 H 1 1.309 . . . . . . . A 2240 LYS HG2 . 30958 1 28 . 1 . 1 5 5 LYS HG3 H 1 1.285 . . . . . . . A 2240 LYS HG3 . 30958 1 29 . 1 . 1 5 5 LYS HD2 H 1 1.548 . . . . . . . A 2240 LYS HD2 . 30958 1 30 . 1 . 1 5 5 LYS HE2 H 1 2.841 . . . . . . . A 2240 LYS HE2 . 30958 1 31 . 1 . 1 5 5 LYS CG C 13 28.294 . . . . . . . A 2240 LYS CG . 30958 1 32 . 1 . 1 5 5 LYS CD C 13 28.625 . . . . . . . A 2240 LYS CD . 30958 1 33 . 1 . 1 5 5 LYS N N 15 117.731 . . . . . . . A 2240 LYS N . 30958 1 34 . 1 . 1 6 6 VAL H H 1 7.397 . . . . . . . A 2241 VAL H . 30958 1 35 . 1 . 1 6 6 VAL HA H 1 4.086 . . . . . . . A 2241 VAL HA . 30958 1 36 . 1 . 1 6 6 VAL HB H 1 1.936 . . . . . . . A 2241 VAL HB . 30958 1 37 . 1 . 1 6 6 VAL HG11 H 1 0.702 . . . . . . . A 2241 VAL HG11 . 30958 1 38 . 1 . 1 6 6 VAL HG12 H 1 0.702 . . . . . . . A 2241 VAL HG12 . 30958 1 39 . 1 . 1 6 6 VAL HG13 H 1 0.702 . . . . . . . A 2241 VAL HG13 . 30958 1 40 . 1 . 1 6 6 VAL HG21 H 1 0.173 . . . . . . . A 2241 VAL HG21 . 30958 1 41 . 1 . 1 6 6 VAL HG22 H 1 0.173 . . . . . . . A 2241 VAL HG22 . 30958 1 42 . 1 . 1 6 6 VAL HG23 H 1 0.173 . . . . . . . A 2241 VAL HG23 . 30958 1 43 . 1 . 1 6 6 VAL CG1 C 13 23.145 . . . . . . . A 2241 VAL CG1 . 30958 1 44 . 1 . 1 6 6 VAL CG2 C 13 23.027 . . . . . . . A 2241 VAL CG2 . 30958 1 45 . 1 . 1 6 6 VAL N N 15 123.365 . . . . . . . A 2241 VAL N . 30958 1 46 . 1 . 1 7 7 ARG H H 1 7.800 . . . . . . . A 2242 ARG H . 30958 1 47 . 1 . 1 7 7 ARG HA H 1 3.868 . . . . . . . A 2242 ARG HA . 30958 1 48 . 1 . 1 7 7 ARG HB2 H 1 1.789 . . . . . . . A 2242 ARG HB2 . 30958 1 49 . 1 . 1 7 7 ARG HB3 H 1 2.050 . . . . . . . A 2242 ARG HB3 . 30958 1 50 . 1 . 1 7 7 ARG HG2 H 1 1.518 . . . . . . . A 2242 ARG HG2 . 30958 1 51 . 1 . 1 7 7 ARG CA C 13 59.051 . . . . . . . A 2242 ARG CA . 30958 1 52 . 1 . 1 7 7 ARG CG C 13 27.072 . . . . . . . A 2242 ARG CG . 30958 1 53 . 1 . 1 7 7 ARG N N 15 123.520 . . . . . . . A 2242 ARG N . 30958 1 54 . 1 . 1 8 8 ALA H H 1 8.811 . . . . . . . A 2243 ALA H . 30958 1 55 . 1 . 1 8 8 ALA HA H 1 5.000 . . . . . . . A 2243 ALA HA . 30958 1 56 . 1 . 1 8 8 ALA HB1 H 1 1.186 . . . . . . . A 2243 ALA HB1 . 30958 1 57 . 1 . 1 8 8 ALA HB2 H 1 1.186 . . . . . . . A 2243 ALA HB2 . 30958 1 58 . 1 . 1 8 8 ALA HB3 H 1 1.186 . . . . . . . A 2243 ALA HB3 . 30958 1 59 . 1 . 1 8 8 ALA CA C 13 53.681 . . . . . . . A 2243 ALA CA . 30958 1 60 . 1 . 1 8 8 ALA CB C 13 23.547 . . . . . . . A 2243 ALA CB . 30958 1 61 . 1 . 1 8 8 ALA N N 15 124.383 . . . . . . . A 2243 ALA N . 30958 1 62 . 1 . 1 9 9 GLY H H 1 8.544 . . . . . . . A 2244 GLY H . 30958 1 63 . 1 . 1 9 9 GLY HA2 H 1 5.584 . . . . . . . A 2244 GLY HA2 . 30958 1 64 . 1 . 1 9 9 GLY HA3 H 1 4.682 . . . . . . . A 2244 GLY HA3 . 30958 1 65 . 1 . 1 9 9 GLY CA C 13 50.183 . . . . . . . A 2244 GLY CA . 30958 1 66 . 1 . 1 9 9 GLY N N 15 106.195 . . . . . . . A 2244 GLY N . 30958 1 67 . 1 . 1 10 10 GLY H H 1 8.739 . . . . . . . A 2245 GLY H . 30958 1 68 . 1 . 1 10 10 GLY HA2 H 1 4.760 . . . . . . . A 2245 GLY HA2 . 30958 1 69 . 1 . 1 10 10 GLY HA3 H 1 4.088 . . . . . . . A 2245 GLY HA3 . 30958 1 70 . 1 . 1 10 10 GLY CA C 13 45.917 . . . . . . . A 2245 GLY CA . 30958 1 71 . 1 . 1 10 10 GLY N N 15 112.393 . . . . . . . A 2245 GLY N . 30958 1 72 . 1 . 1 11 11 PRO HB2 H 1 2.259 . . . . . . . A 2246 PRO HB2 . 30958 1 73 . 1 . 1 11 11 PRO HG2 H 1 2.282 . . . . . . . A 2246 PRO HG2 . 30958 1 74 . 1 . 1 11 11 PRO HG3 H 1 1.997 . . . . . . . A 2246 PRO HG3 . 30958 1 75 . 1 . 1 11 11 PRO HD2 H 1 3.744 . . . . . . . A 2246 PRO HD2 . 30958 1 76 . 1 . 1 11 11 PRO HD3 H 1 3.515 . . . . . . . A 2246 PRO HD3 . 30958 1 77 . 1 . 1 11 11 PRO CB C 13 31.102 . . . . . . . A 2246 PRO CB . 30958 1 78 . 1 . 1 11 11 PRO CG C 13 27.050 . . . . . . . A 2246 PRO CG . 30958 1 79 . 1 . 1 11 11 PRO CD C 13 49.523 . . . . . . . A 2246 PRO CD . 30958 1 80 . 1 . 1 12 12 GLY H H 1 9.110 . . . . . . . A 2247 GLY H . 30958 1 81 . 1 . 1 12 12 GLY HA2 H 1 4.180 . . . . . . . A 2247 GLY HA2 . 30958 1 82 . 1 . 1 12 12 GLY HA3 H 1 3.166 . . . . . . . A 2247 GLY HA3 . 30958 1 83 . 1 . 1 12 12 GLY CA C 13 46.017 . . . . . . . A 2247 GLY CA . 30958 1 84 . 1 . 1 12 12 GLY N N 15 102.689 . . . . . . . A 2247 GLY N . 30958 1 85 . 1 . 1 13 13 LEU H H 1 7.474 . . . . . . . A 2248 LEU H . 30958 1 86 . 1 . 1 13 13 LEU HA H 1 4.088 . . . . . . . A 2248 LEU HA . 30958 1 87 . 1 . 1 13 13 LEU HB2 H 1 0.879 . . . . . . . A 2248 LEU HB2 . 30958 1 88 . 1 . 1 13 13 LEU HB3 H 1 1.174 . . . . . . . A 2248 LEU HB3 . 30958 1 89 . 1 . 1 13 13 LEU HG H 1 0.139 . . . . . . . A 2248 LEU HG . 30958 1 90 . 1 . 1 13 13 LEU HD11 H 1 -0.571 . . . . . . . A 2248 LEU HD11 . 30958 1 91 . 1 . 1 13 13 LEU HD12 H 1 -0.571 . . . . . . . A 2248 LEU HD12 . 30958 1 92 . 1 . 1 13 13 LEU HD13 H 1 -0.571 . . . . . . . A 2248 LEU HD13 . 30958 1 93 . 1 . 1 13 13 LEU HD21 H 1 -1.001 . . . . . . . A 2248 LEU HD21 . 30958 1 94 . 1 . 1 13 13 LEU HD22 H 1 -1.001 . . . . . . . A 2248 LEU HD22 . 30958 1 95 . 1 . 1 13 13 LEU HD23 H 1 -1.001 . . . . . . . A 2248 LEU HD23 . 30958 1 96 . 1 . 1 13 13 LEU CA C 13 53.602 . . . . . . . A 2248 LEU CA . 30958 1 97 . 1 . 1 13 13 LEU CB C 13 39.946 . . . . . . . A 2248 LEU CB . 30958 1 98 . 1 . 1 13 13 LEU CG C 13 25.428 . . . . . . . A 2248 LEU CG . 30958 1 99 . 1 . 1 13 13 LEU CD1 C 13 23.347 . . . . . . . A 2248 LEU CD1 . 30958 1 100 . 1 . 1 13 13 LEU CD2 C 13 19.326 . . . . . . . A 2248 LEU CD2 . 30958 1 101 . 1 . 1 13 13 LEU N N 15 116.050 . . . . . . . A 2248 LEU N . 30958 1 102 . 1 . 1 14 14 GLU H H 1 7.873 . . . . . . . A 2249 GLU H . 30958 1 103 . 1 . 1 14 14 GLU HA H 1 4.392 . . . . . . . A 2249 GLU HA . 30958 1 104 . 1 . 1 14 14 GLU HG2 H 1 2.252 . . . . . . . A 2249 GLU HG2 . 30958 1 105 . 1 . 1 14 14 GLU HG3 H 1 2.068 . . . . . . . A 2249 GLU HG3 . 30958 1 106 . 1 . 1 14 14 GLU CA C 13 57.148 . . . . . . . A 2249 GLU CA . 30958 1 107 . 1 . 1 14 14 GLU CG C 13 34.703 . . . . . . . A 2249 GLU CG . 30958 1 108 . 1 . 1 14 14 GLU N N 15 119.507 . . . . . . . A 2249 GLU N . 30958 1 109 . 1 . 1 15 15 ARG H H 1 8.189 . . . . . . . A 2250 ARG H . 30958 1 110 . 1 . 1 15 15 ARG HA H 1 4.482 . . . . . . . A 2250 ARG HA . 30958 1 111 . 1 . 1 15 15 ARG HB2 H 1 1.502 . . . . . . . A 2250 ARG HB2 . 30958 1 112 . 1 . 1 15 15 ARG HB3 H 1 1.808 . . . . . . . A 2250 ARG HB3 . 30958 1 113 . 1 . 1 15 15 ARG HD2 H 1 3.099 . . . . . . . A 2250 ARG HD2 . 30958 1 114 . 1 . 1 15 15 ARG CA C 13 55.647 . . . . . . . A 2250 ARG CA . 30958 1 115 . 1 . 1 15 15 ARG CB C 13 27.011 . . . . . . . A 2250 ARG CB . 30958 1 116 . 1 . 1 15 15 ARG CD C 13 42.921 . . . . . . . A 2250 ARG CD . 30958 1 117 . 1 . 1 15 15 ARG N N 15 115.060 . . . . . . . A 2250 ARG N . 30958 1 118 . 1 . 1 16 16 ALA H H 1 7.922 . . . . . . . A 2251 ALA H . 30958 1 119 . 1 . 1 16 16 ALA HA H 1 4.505 . . . . . . . A 2251 ALA HA . 30958 1 120 . 1 . 1 16 16 ALA HB1 H 1 1.239 . . . . . . . A 2251 ALA HB1 . 30958 1 121 . 1 . 1 16 16 ALA HB2 H 1 1.239 . . . . . . . A 2251 ALA HB2 . 30958 1 122 . 1 . 1 16 16 ALA HB3 H 1 1.239 . . . . . . . A 2251 ALA HB3 . 30958 1 123 . 1 . 1 16 16 ALA CA C 13 50.784 . . . . . . . A 2251 ALA CA . 30958 1 124 . 1 . 1 16 16 ALA CB C 13 22.704 . . . . . . . A 2251 ALA CB . 30958 1 125 . 1 . 1 16 16 ALA N N 15 121.171 . . . . . . . A 2251 ALA N . 30958 1 126 . 1 . 1 17 17 GLU H H 1 9.186 . . . . . . . A 2252 GLU H . 30958 1 127 . 1 . 1 17 17 GLU HA H 1 4.510 . . . . . . . A 2252 GLU HA . 30958 1 128 . 1 . 1 17 17 GLU HB3 H 1 1.611 . . . . . . . A 2252 GLU HB3 . 30958 1 129 . 1 . 1 17 17 GLU HG2 H 1 1.970 . . . . . . . A 2252 GLU HG2 . 30958 1 130 . 1 . 1 17 17 GLU HG3 H 1 1.988 . . . . . . . A 2252 GLU HG3 . 30958 1 131 . 1 . 1 17 17 GLU CA C 13 55.139 . . . . . . . A 2252 GLU CA . 30958 1 132 . 1 . 1 17 17 GLU CB C 13 30.622 . . . . . . . A 2252 GLU CB . 30958 1 133 . 1 . 1 17 17 GLU CG C 13 36.482 . . . . . . . A 2252 GLU CG . 30958 1 134 . 1 . 1 17 17 GLU N N 15 121.034 . . . . . . . A 2252 GLU N . 30958 1 135 . 1 . 1 18 18 ALA H H 1 8.359 . . . . . . . A 2253 ALA H . 30958 1 136 . 1 . 1 18 18 ALA HA H 1 3.571 . . . . . . . A 2253 ALA HA . 30958 1 137 . 1 . 1 18 18 ALA HB1 H 1 0.897 . . . . . . . A 2253 ALA HB1 . 30958 1 138 . 1 . 1 18 18 ALA HB2 H 1 0.897 . . . . . . . A 2253 ALA HB2 . 30958 1 139 . 1 . 1 18 18 ALA HB3 H 1 0.897 . . . . . . . A 2253 ALA HB3 . 30958 1 140 . 1 . 1 18 18 ALA CA C 13 52.940 . . . . . . . A 2253 ALA CA . 30958 1 141 . 1 . 1 18 18 ALA CB C 13 17.143 . . . . . . . A 2253 ALA CB . 30958 1 142 . 1 . 1 18 18 ALA N N 15 127.751 . . . . . . . A 2253 ALA N . 30958 1 143 . 1 . 1 19 19 GLY H H 1 8.639 . . . . . . . A 2254 GLY H . 30958 1 144 . 1 . 1 19 19 GLY HA2 H 1 4.025 . . . . . . . A 2254 GLY HA2 . 30958 1 145 . 1 . 1 19 19 GLY HA3 H 1 3.247 . . . . . . . A 2254 GLY HA3 . 30958 1 146 . 1 . 1 19 19 GLY CA C 13 45.188 . . . . . . . A 2254 GLY CA . 30958 1 147 . 1 . 1 19 19 GLY N N 15 108.302 . . . . . . . A 2254 GLY N . 30958 1 148 . 1 . 1 20 20 VAL H H 1 7.628 . . . . . . . A 2255 VAL H . 30958 1 149 . 1 . 1 20 20 VAL HA H 1 4.402 . . . . . . . A 2255 VAL HA . 30958 1 150 . 1 . 1 20 20 VAL HB H 1 1.893 . . . . . . . A 2255 VAL HB . 30958 1 151 . 1 . 1 20 20 VAL HG11 H 1 0.817 . . . . . . . A 2255 VAL HG11 . 30958 1 152 . 1 . 1 20 20 VAL HG12 H 1 0.817 . . . . . . . A 2255 VAL HG12 . 30958 1 153 . 1 . 1 20 20 VAL HG13 H 1 0.817 . . . . . . . A 2255 VAL HG13 . 30958 1 154 . 1 . 1 20 20 VAL HG21 H 1 0.657 . . . . . . . A 2255 VAL HG21 . 30958 1 155 . 1 . 1 20 20 VAL HG22 H 1 0.657 . . . . . . . A 2255 VAL HG22 . 30958 1 156 . 1 . 1 20 20 VAL HG23 H 1 0.657 . . . . . . . A 2255 VAL HG23 . 30958 1 157 . 1 . 1 20 20 VAL CA C 13 63.236 . . . . . . . A 2255 VAL CA . 30958 1 158 . 1 . 1 20 20 VAL CB C 13 33.895 . . . . . . . A 2255 VAL CB . 30958 1 159 . 1 . 1 20 20 VAL CG1 C 13 20.047 . . . . . . . A 2255 VAL CG1 . 30958 1 160 . 1 . 1 20 20 VAL CG2 C 13 20.359 . . . . . . . A 2255 VAL CG2 . 30958 1 161 . 1 . 1 20 20 VAL N N 15 122.941 . . . . . . . A 2255 VAL N . 30958 1 162 . 1 . 1 21 21 PRO HA H 1 4.133 . . . . . . . A 2256 PRO HA . 30958 1 163 . 1 . 1 21 21 PRO HB2 H 1 1.581 . . . . . . . A 2256 PRO HB2 . 30958 1 164 . 1 . 1 21 21 PRO HB3 H 1 1.565 . . . . . . . A 2256 PRO HB3 . 30958 1 165 . 1 . 1 21 21 PRO HG3 H 1 1.787 . . . . . . . A 2256 PRO HG3 . 30958 1 166 . 1 . 1 21 21 PRO HD2 H 1 3.524 . . . . . . . A 2256 PRO HD2 . 30958 1 167 . 1 . 1 21 21 PRO HD3 H 1 3.691 . . . . . . . A 2256 PRO HD3 . 30958 1 168 . 1 . 1 21 21 PRO CA C 13 59.654 . . . . . . . A 2256 PRO CA . 30958 1 169 . 1 . 1 21 21 PRO CB C 13 31.126 . . . . . . . A 2256 PRO CB . 30958 1 170 . 1 . 1 21 21 PRO CG C 13 30.215 . . . . . . . A 2256 PRO CG . 30958 1 171 . 1 . 1 21 21 PRO CD C 13 50.595 . . . . . . . A 2256 PRO CD . 30958 1 172 . 1 . 1 22 22 ALA H H 1 8.931 . . . . . . . A 2257 ALA H . 30958 1 173 . 1 . 1 22 22 ALA HA H 1 4.068 . . . . . . . A 2257 ALA HA . 30958 1 174 . 1 . 1 22 22 ALA HB1 H 1 0.533 . . . . . . . A 2257 ALA HB1 . 30958 1 175 . 1 . 1 22 22 ALA HB2 H 1 0.533 . . . . . . . A 2257 ALA HB2 . 30958 1 176 . 1 . 1 22 22 ALA HB3 H 1 0.533 . . . . . . . A 2257 ALA HB3 . 30958 1 177 . 1 . 1 22 22 ALA CA C 13 54.729 . . . . . . . A 2257 ALA CA . 30958 1 178 . 1 . 1 22 22 ALA CB C 13 20.557 . . . . . . . A 2257 ALA CB . 30958 1 179 . 1 . 1 22 22 ALA N N 15 131.360 . . . . . . . A 2257 ALA N . 30958 1 180 . 1 . 1 23 23 GLU H H 1 8.304 . . . . . . . A 2258 GLU H . 30958 1 181 . 1 . 1 23 23 GLU HA H 1 4.480 . . . . . . . A 2258 GLU HA . 30958 1 182 . 1 . 1 23 23 GLU HG2 H 1 1.904 . . . . . . . A 2258 GLU HG2 . 30958 1 183 . 1 . 1 23 23 GLU HG3 H 1 1.853 . . . . . . . A 2258 GLU HG3 . 30958 1 184 . 1 . 1 23 23 GLU CG C 13 36.322 . . . . . . . A 2258 GLU CG . 30958 1 185 . 1 . 1 23 23 GLU N N 15 118.610 . . . . . . . A 2258 GLU N . 30958 1 186 . 1 . 1 24 24 PHE H H 1 8.731 . . . . . . . A 2259 PHE H . 30958 1 187 . 1 . 1 24 24 PHE HA H 1 5.364 . . . . . . . A 2259 PHE HA . 30958 1 188 . 1 . 1 24 24 PHE HB2 H 1 2.672 . . . . . . . A 2259 PHE HB2 . 30958 1 189 . 1 . 1 24 24 PHE HB3 H 1 2.696 . . . . . . . A 2259 PHE HB3 . 30958 1 190 . 1 . 1 24 24 PHE HD1 H 1 6.630 . . . . . . . A 2259 PHE HD1 . 30958 1 191 . 1 . 1 24 24 PHE CA C 13 54.761 . . . . . . . A 2259 PHE CA . 30958 1 192 . 1 . 1 24 24 PHE CB C 13 39.946 . . . . . . . A 2259 PHE CB . 30958 1 193 . 1 . 1 24 24 PHE N N 15 114.964 . . . . . . . A 2259 PHE N . 30958 1 194 . 1 . 1 25 25 SER H H 1 8.735 . . . . . . . A 2260 SER H . 30958 1 195 . 1 . 1 25 25 SER HA H 1 4.918 . . . . . . . A 2260 SER HA . 30958 1 196 . 1 . 1 25 25 SER HB2 H 1 3.198 . . . . . . . A 2260 SER HB2 . 30958 1 197 . 1 . 1 25 25 SER HB3 H 1 2.812 . . . . . . . A 2260 SER HB3 . 30958 1 198 . 1 . 1 25 25 SER CA C 13 56.852 . . . . . . . A 2260 SER CA . 30958 1 199 . 1 . 1 25 25 SER CB C 13 65.779 . . . . . . . A 2260 SER CB . 30958 1 200 . 1 . 1 25 25 SER N N 15 114.750 . . . . . . . A 2260 SER N . 30958 1 201 . 1 . 1 26 26 ILE H H 1 8.408 . . . . . . . A 2261 ILE H . 30958 1 202 . 1 . 1 26 26 ILE HA H 1 5.287 . . . . . . . A 2261 ILE HA . 30958 1 203 . 1 . 1 26 26 ILE HB H 1 1.438 . . . . . . . A 2261 ILE HB . 30958 1 204 . 1 . 1 26 26 ILE HG12 H 1 0.792 . . . . . . . A 2261 ILE HG12 . 30958 1 205 . 1 . 1 26 26 ILE HG13 H 1 0.814 . . . . . . . A 2261 ILE HG13 . 30958 1 206 . 1 . 1 26 26 ILE HG21 H 1 0.789 . . . . . . . A 2261 ILE HG21 . 30958 1 207 . 1 . 1 26 26 ILE HG22 H 1 0.789 . . . . . . . A 2261 ILE HG22 . 30958 1 208 . 1 . 1 26 26 ILE HG23 H 1 0.789 . . . . . . . A 2261 ILE HG23 . 30958 1 209 . 1 . 1 26 26 ILE HD11 H 1 0.315 . . . . . . . A 2261 ILE HD11 . 30958 1 210 . 1 . 1 26 26 ILE HD12 H 1 0.315 . . . . . . . A 2261 ILE HD12 . 30958 1 211 . 1 . 1 26 26 ILE HD13 H 1 0.315 . . . . . . . A 2261 ILE HD13 . 30958 1 212 . 1 . 1 26 26 ILE CA C 13 56.928 . . . . . . . A 2261 ILE CA . 30958 1 213 . 1 . 1 26 26 ILE CB C 13 42.105 . . . . . . . A 2261 ILE CB . 30958 1 214 . 1 . 1 26 26 ILE CG1 C 13 15.968 . . . . . . . A 2261 ILE CG1 . 30958 1 215 . 1 . 1 26 26 ILE CG2 C 13 21.622 . . . . . . . A 2261 ILE CG2 . 30958 1 216 . 1 . 1 26 26 ILE N N 15 119.659 . . . . . . . A 2261 ILE N . 30958 1 217 . 1 . 1 27 27 TRP H H 1 9.499 . . . . . . . A 2262 TRP H . 30958 1 218 . 1 . 1 27 27 TRP HA H 1 4.701 . . . . . . . A 2262 TRP HA . 30958 1 219 . 1 . 1 27 27 TRP HB2 H 1 3.044 . . . . . . . A 2262 TRP HB2 . 30958 1 220 . 1 . 1 27 27 TRP HB3 H 1 3.224 . . . . . . . A 2262 TRP HB3 . 30958 1 221 . 1 . 1 27 27 TRP HD1 H 1 7.329 . . . . . . . A 2262 TRP HD1 . 30958 1 222 . 1 . 1 27 27 TRP HE1 H 1 9.726 . . . . . . . A 2262 TRP HE1 . 30958 1 223 . 1 . 1 27 27 TRP HE3 H 1 7.332 . . . . . . . A 2262 TRP HE3 . 30958 1 224 . 1 . 1 27 27 TRP HZ2 H 1 6.678 . . . . . . . A 2262 TRP HZ2 . 30958 1 225 . 1 . 1 27 27 TRP HZ3 H 1 6.932 . . . . . . . A 2262 TRP HZ3 . 30958 1 226 . 1 . 1 27 27 TRP HH2 H 1 7.308 . . . . . . . A 2262 TRP HH2 . 30958 1 227 . 1 . 1 27 27 TRP CB C 13 29.924 . . . . . . . A 2262 TRP CB . 30958 1 228 . 1 . 1 27 27 TRP N N 15 128.237 . . . . . . . A 2262 TRP N . 30958 1 229 . 1 . 1 27 27 TRP NE1 N 15 129.579 . . . . . . . A 2262 TRP NE1 . 30958 1 230 . 1 . 1 28 28 THR H H 1 8.499 . . . . . . . A 2263 THR H . 30958 1 231 . 1 . 1 28 28 THR HA H 1 4.933 . . . . . . . A 2263 THR HA . 30958 1 232 . 1 . 1 28 28 THR HB H 1 4.232 . . . . . . . A 2263 THR HB . 30958 1 233 . 1 . 1 28 28 THR HG21 H 1 0.906 . . . . . . . A 2263 THR HG1 . 30958 1 234 . 1 . 1 28 28 THR HG22 H 1 0.906 . . . . . . . A 2263 THR HG1 . 30958 1 235 . 1 . 1 28 28 THR HG23 H 1 0.906 . . . . . . . A 2263 THR HG1 . 30958 1 236 . 1 . 1 28 28 THR CB C 13 69.058 . . . . . . . A 2263 THR CB . 30958 1 237 . 1 . 1 28 28 THR N N 15 114.035 . . . . . . . A 2263 THR N . 30958 1 238 . 1 . 1 29 29 ARG H H 1 7.984 . . . . . . . A 2264 ARG H . 30958 1 239 . 1 . 1 29 29 ARG HA H 1 4.322 . . . . . . . A 2264 ARG HA . 30958 1 240 . 1 . 1 29 29 ARG HB3 H 1 2.623 . . . . . . . A 2264 ARG HB3 . 30958 1 241 . 1 . 1 29 29 ARG HD2 H 1 3.212 . . . . . . . A 2264 ARG HD2 . 30958 1 242 . 1 . 1 29 29 ARG HD3 H 1 3.908 . . . . . . . A 2264 ARG HD3 . 30958 1 243 . 1 . 1 29 29 ARG CD C 13 51.422 . . . . . . . A 2264 ARG CD . 30958 1 244 . 1 . 1 29 29 ARG N N 15 122.247 . . . . . . . A 2264 ARG N . 30958 1 245 . 1 . 1 30 30 GLU H H 1 8.302 . . . . . . . A 2265 GLU H . 30958 1 246 . 1 . 1 30 30 GLU HA H 1 4.124 . . . . . . . A 2265 GLU HA . 30958 1 247 . 1 . 1 30 30 GLU HB3 H 1 1.753 . . . . . . . A 2265 GLU HB3 . 30958 1 248 . 1 . 1 30 30 GLU HG3 H 1 2.146 . . . . . . . A 2265 GLU HG3 . 30958 1 249 . 1 . 1 30 30 GLU CA C 13 56.538 . . . . . . . A 2265 GLU CA . 30958 1 250 . 1 . 1 30 30 GLU CB C 13 30.247 . . . . . . . A 2265 GLU CB . 30958 1 251 . 1 . 1 30 30 GLU CG C 13 36.785 . . . . . . . A 2265 GLU CG . 30958 1 252 . 1 . 1 30 30 GLU N N 15 115.895 . . . . . . . A 2265 GLU N . 30958 1 253 . 1 . 1 31 31 ALA H H 1 7.559 . . . . . . . A 2266 ALA H . 30958 1 254 . 1 . 1 31 31 ALA HA H 1 3.926 . . . . . . . A 2266 ALA HA . 30958 1 255 . 1 . 1 31 31 ALA HB1 H 1 0.779 . . . . . . . A 2266 ALA HB1 . 30958 1 256 . 1 . 1 31 31 ALA HB2 H 1 0.779 . . . . . . . A 2266 ALA HB2 . 30958 1 257 . 1 . 1 31 31 ALA HB3 H 1 0.779 . . . . . . . A 2266 ALA HB3 . 30958 1 258 . 1 . 1 31 31 ALA CA C 13 62.097 . . . . . . . A 2266 ALA CA . 30958 1 259 . 1 . 1 31 31 ALA CB C 13 20.564 . . . . . . . A 2266 ALA CB . 30958 1 260 . 1 . 1 31 31 ALA N N 15 121.063 . . . . . . . A 2266 ALA N . 30958 1 261 . 1 . 1 32 32 GLY H H 1 7.577 . . . . . . . A 2267 GLY H . 30958 1 262 . 1 . 1 32 32 GLY HA2 H 1 3.633 . . . . . . . A 2267 GLY HA2 . 30958 1 263 . 1 . 1 32 32 GLY HA3 H 1 4.067 . . . . . . . A 2267 GLY HA3 . 30958 1 264 . 1 . 1 32 32 GLY CA C 13 43.899 . . . . . . . A 2267 GLY CA . 30958 1 265 . 1 . 1 32 32 GLY N N 15 105.326 . . . . . . . A 2267 GLY N . 30958 1 266 . 1 . 1 33 33 ALA H H 1 8.202 . . . . . . . A 2268 ALA H . 30958 1 267 . 1 . 1 33 33 ALA HA H 1 4.326 . . . . . . . A 2268 ALA HA . 30958 1 268 . 1 . 1 33 33 ALA HB1 H 1 1.249 . . . . . . . A 2268 ALA HB1 . 30958 1 269 . 1 . 1 33 33 ALA HB2 H 1 1.249 . . . . . . . A 2268 ALA HB2 . 30958 1 270 . 1 . 1 33 33 ALA HB3 H 1 1.249 . . . . . . . A 2268 ALA HB3 . 30958 1 271 . 1 . 1 33 33 ALA CB C 13 19.060 . . . . . . . A 2268 ALA CB . 30958 1 272 . 1 . 1 33 33 ALA N N 15 121.219 . . . . . . . A 2268 ALA N . 30958 1 273 . 1 . 1 34 34 GLY H H 1 8.121 . . . . . . . A 2269 GLY H . 30958 1 274 . 1 . 1 34 34 GLY HA2 H 1 4.280 . . . . . . . A 2269 GLY HA2 . 30958 1 275 . 1 . 1 34 34 GLY HA3 H 1 4.750 . . . . . . . A 2269 GLY HA3 . 30958 1 276 . 1 . 1 34 34 GLY CA C 13 52.171 . . . . . . . A 2269 GLY CA . 30958 1 277 . 1 . 1 34 34 GLY N N 15 109.023 . . . . . . . A 2269 GLY N . 30958 1 278 . 1 . 1 35 35 GLY H H 1 7.436 . . . . . . . A 2270 GLY H . 30958 1 279 . 1 . 1 35 35 GLY HA2 H 1 3.429 . . . . . . . A 2270 GLY HA2 . 30958 1 280 . 1 . 1 35 35 GLY HA3 H 1 4.524 . . . . . . . A 2270 GLY HA3 . 30958 1 281 . 1 . 1 35 35 GLY CA C 13 44.243 . . . . . . . A 2270 GLY CA . 30958 1 282 . 1 . 1 35 35 GLY N N 15 105.931 . . . . . . . A 2270 GLY N . 30958 1 283 . 1 . 1 36 36 LEU H H 1 8.159 . . . . . . . A 2271 LEU H . 30958 1 284 . 1 . 1 36 36 LEU HA H 1 5.067 . . . . . . . A 2271 LEU HA . 30958 1 285 . 1 . 1 36 36 LEU HB2 H 1 2.030 . . . . . . . A 2271 LEU HB2 . 30958 1 286 . 1 . 1 36 36 LEU HB3 H 1 1.807 . . . . . . . A 2271 LEU HB3 . 30958 1 287 . 1 . 1 36 36 LEU HD11 H 1 1.008 . . . . . . . A 2271 LEU HD11 . 30958 1 288 . 1 . 1 36 36 LEU HD12 H 1 1.008 . . . . . . . A 2271 LEU HD12 . 30958 1 289 . 1 . 1 36 36 LEU HD13 H 1 1.008 . . . . . . . A 2271 LEU HD13 . 30958 1 290 . 1 . 1 36 36 LEU HD21 H 1 0.790 . . . . . . . A 2271 LEU HD21 . 30958 1 291 . 1 . 1 36 36 LEU HD22 H 1 0.790 . . . . . . . A 2271 LEU HD22 . 30958 1 292 . 1 . 1 36 36 LEU HD23 H 1 0.790 . . . . . . . A 2271 LEU HD23 . 30958 1 293 . 1 . 1 36 36 LEU CA C 13 54.571 . . . . . . . A 2271 LEU CA . 30958 1 294 . 1 . 1 36 36 LEU CB C 13 40.902 . . . . . . . A 2271 LEU CB . 30958 1 295 . 1 . 1 36 36 LEU CD1 C 13 29.137 . . . . . . . A 2271 LEU CD1 . 30958 1 296 . 1 . 1 36 36 LEU CD2 C 13 29.191 . . . . . . . A 2271 LEU CD2 . 30958 1 297 . 1 . 1 36 36 LEU N N 15 123.986 . . . . . . . A 2271 LEU N . 30958 1 298 . 1 . 1 37 37 ALA H H 1 8.786 . . . . . . . A 2272 ALA H . 30958 1 299 . 1 . 1 37 37 ALA HB1 H 1 1.090 . . . . . . . A 2272 ALA HB1 . 30958 1 300 . 1 . 1 37 37 ALA HB2 H 1 1.090 . . . . . . . A 2272 ALA HB2 . 30958 1 301 . 1 . 1 37 37 ALA HB3 H 1 1.090 . . . . . . . A 2272 ALA HB3 . 30958 1 302 . 1 . 1 37 37 ALA CB C 13 22.138 . . . . . . . A 2272 ALA CB . 30958 1 303 . 1 . 1 37 37 ALA N N 15 125.137 . . . . . . . A 2272 ALA N . 30958 1 304 . 1 . 1 38 38 ILE H H 1 8.443 . . . . . . . A 2273 ILE H . 30958 1 305 . 1 . 1 38 38 ILE HA H 1 4.203 . . . . . . . A 2273 ILE HA . 30958 1 306 . 1 . 1 38 38 ILE N N 15 124.447 . . . . . . . A 2273 ILE N . 30958 1 307 . 1 . 1 39 39 ALA H H 1 8.625 . . . . . . . A 2274 ALA H . 30958 1 308 . 1 . 1 39 39 ALA HA H 1 4.672 . . . . . . . A 2274 ALA HA . 30958 1 309 . 1 . 1 39 39 ALA HB1 H 1 1.197 . . . . . . . A 2274 ALA HB1 . 30958 1 310 . 1 . 1 39 39 ALA HB2 H 1 1.197 . . . . . . . A 2274 ALA HB2 . 30958 1 311 . 1 . 1 39 39 ALA HB3 H 1 1.197 . . . . . . . A 2274 ALA HB3 . 30958 1 312 . 1 . 1 39 39 ALA CB C 13 22.287 . . . . . . . A 2274 ALA CB . 30958 1 313 . 1 . 1 39 39 ALA N N 15 128.841 . . . . . . . A 2274 ALA N . 30958 1 314 . 1 . 1 40 40 VAL H H 1 8.514 . . . . . . . A 2275 VAL H . 30958 1 315 . 1 . 1 40 40 VAL HA H 1 4.639 . . . . . . . A 2275 VAL HA . 30958 1 316 . 1 . 1 40 40 VAL HB H 1 1.505 . . . . . . . A 2275 VAL HB . 30958 1 317 . 1 . 1 40 40 VAL HG11 H 1 0.222 . . . . . . . A 2275 VAL HG11 . 30958 1 318 . 1 . 1 40 40 VAL HG12 H 1 0.222 . . . . . . . A 2275 VAL HG12 . 30958 1 319 . 1 . 1 40 40 VAL HG13 H 1 0.222 . . . . . . . A 2275 VAL HG13 . 30958 1 320 . 1 . 1 40 40 VAL HG21 H 1 0.422 . . . . . . . A 2275 VAL HG21 . 30958 1 321 . 1 . 1 40 40 VAL HG22 H 1 0.422 . . . . . . . A 2275 VAL HG22 . 30958 1 322 . 1 . 1 40 40 VAL HG23 H 1 0.422 . . . . . . . A 2275 VAL HG23 . 30958 1 323 . 1 . 1 40 40 VAL CB C 13 34.136 . . . . . . . A 2275 VAL CB . 30958 1 324 . 1 . 1 40 40 VAL CG1 C 13 19.324 . . . . . . . A 2275 VAL CG1 . 30958 1 325 . 1 . 1 40 40 VAL CG2 C 13 20.337 . . . . . . . A 2275 VAL CG2 . 30958 1 326 . 1 . 1 40 40 VAL N N 15 121.130 . . . . . . . A 2275 VAL N . 30958 1 327 . 1 . 1 41 41 GLU H H 1 8.908 . . . . . . . A 2276 GLU H . 30958 1 328 . 1 . 1 41 41 GLU HB3 H 1 1.790 . . . . . . . A 2276 GLU HB3 . 30958 1 329 . 1 . 1 41 41 GLU HG3 H 1 2.065 . . . . . . . A 2276 GLU HG3 . 30958 1 330 . 1 . 1 41 41 GLU CB C 13 33.453 . . . . . . . A 2276 GLU CB . 30958 1 331 . 1 . 1 41 41 GLU CG C 13 36.242 . . . . . . . A 2276 GLU CG . 30958 1 332 . 1 . 1 41 41 GLU N N 15 126.675 . . . . . . . A 2276 GLU N . 30958 1 333 . 1 . 1 42 42 GLY H H 1 8.393 . . . . . . . A 2277 GLY H . 30958 1 334 . 1 . 1 42 42 GLY HA2 H 1 3.601 . . . . . . . A 2277 GLY HA2 . 30958 1 335 . 1 . 1 42 42 GLY HA3 H 1 4.238 . . . . . . . A 2277 GLY HA3 . 30958 1 336 . 1 . 1 42 42 GLY CA C 13 45.115 . . . . . . . A 2277 GLY CA . 30958 1 337 . 1 . 1 42 42 GLY N N 15 112.856 . . . . . . . A 2277 GLY N . 30958 1 338 . 1 . 1 43 43 PRO HA H 1 4.232 . . . . . . . A 2278 PRO HA . 30958 1 339 . 1 . 1 43 43 PRO HB3 H 1 2.282 . . . . . . . A 2278 PRO HB3 . 30958 1 340 . 1 . 1 43 43 PRO HG3 H 1 2.084 . . . . . . . A 2278 PRO HG3 . 30958 1 341 . 1 . 1 43 43 PRO HD3 H 1 3.551 . . . . . . . A 2278 PRO HD3 . 30958 1 342 . 1 . 1 43 43 PRO CA C 13 65.419 . . . . . . . A 2278 PRO CA . 30958 1 343 . 1 . 1 43 43 PRO CB C 13 31.282 . . . . . . . A 2278 PRO CB . 30958 1 344 . 1 . 1 44 44 SER H H 1 7.237 . . . . . . . A 2279 SER H . 30958 1 345 . 1 . 1 44 44 SER HB2 H 1 3.799 . . . . . . . A 2279 SER HB2 . 30958 1 346 . 1 . 1 44 44 SER HB3 H 1 3.945 . . . . . . . A 2279 SER HB3 . 30958 1 347 . 1 . 1 44 44 SER CB C 13 65.570 . . . . . . . A 2279 SER CB . 30958 1 348 . 1 . 1 44 44 SER N N 15 110.188 . . . . . . . A 2279 SER N . 30958 1 349 . 1 . 1 45 45 LYS H H 1 8.497 . . . . . . . A 2280 LYS H . 30958 1 350 . 1 . 1 45 45 LYS N N 15 120.692 . . . . . . . A 2280 LYS N . 30958 1 351 . 1 . 1 46 46 ALA H H 1 8.804 . . . . . . . A 2281 ALA H . 30958 1 352 . 1 . 1 46 46 ALA HA H 1 4.236 . . . . . . . A 2281 ALA HA . 30958 1 353 . 1 . 1 46 46 ALA HB1 H 1 0.956 . . . . . . . A 2281 ALA HB1 . 30958 1 354 . 1 . 1 46 46 ALA HB2 H 1 0.956 . . . . . . . A 2281 ALA HB2 . 30958 1 355 . 1 . 1 46 46 ALA HB3 H 1 0.956 . . . . . . . A 2281 ALA HB3 . 30958 1 356 . 1 . 1 46 46 ALA CA C 13 61.290 . . . . . . . A 2281 ALA CA . 30958 1 357 . 1 . 1 46 46 ALA CB C 13 21.556 . . . . . . . A 2281 ALA CB . 30958 1 358 . 1 . 1 46 46 ALA N N 15 126.749 . . . . . . . A 2281 ALA N . 30958 1 359 . 1 . 1 47 47 GLU H H 1 8.304 . . . . . . . A 2282 GLU H . 30958 1 360 . 1 . 1 47 47 GLU HA H 1 4.449 . . . . . . . A 2282 GLU HA . 30958 1 361 . 1 . 1 47 47 GLU HG3 H 1 2.064 . . . . . . . A 2282 GLU HG3 . 30958 1 362 . 1 . 1 47 47 GLU CG C 13 35.591 . . . . . . . A 2282 GLU CG . 30958 1 363 . 1 . 1 47 47 GLU N N 15 122.020 . . . . . . . A 2282 GLU N . 30958 1 364 . 1 . 1 48 48 ILE H H 1 8.702 . . . . . . . A 2283 ILE H . 30958 1 365 . 1 . 1 48 48 ILE HA H 1 4.353 . . . . . . . A 2283 ILE HA . 30958 1 366 . 1 . 1 48 48 ILE HB H 1 1.357 . . . . . . . A 2283 ILE HB . 30958 1 367 . 1 . 1 48 48 ILE HG13 H 1 1.632 . . . . . . . A 2283 ILE HG13 . 30958 1 368 . 1 . 1 48 48 ILE HG21 H 1 0.604 . . . . . . . A 2283 ILE HG21 . 30958 1 369 . 1 . 1 48 48 ILE HG22 H 1 0.604 . . . . . . . A 2283 ILE HG22 . 30958 1 370 . 1 . 1 48 48 ILE HG23 H 1 0.604 . . . . . . . A 2283 ILE HG23 . 30958 1 371 . 1 . 1 48 48 ILE HD11 H 1 0.676 . . . . . . . A 2283 ILE HD11 . 30958 1 372 . 1 . 1 48 48 ILE HD12 H 1 0.676 . . . . . . . A 2283 ILE HD12 . 30958 1 373 . 1 . 1 48 48 ILE HD13 H 1 0.676 . . . . . . . A 2283 ILE HD13 . 30958 1 374 . 1 . 1 48 48 ILE CA C 13 61.127 . . . . . . . A 2283 ILE CA . 30958 1 375 . 1 . 1 48 48 ILE CB C 13 41.232 . . . . . . . A 2283 ILE CB . 30958 1 376 . 1 . 1 48 48 ILE CG2 C 13 17.082 . . . . . . . A 2283 ILE CG2 . 30958 1 377 . 1 . 1 48 48 ILE CD1 C 13 14.097 . . . . . . . A 2283 ILE CD1 . 30958 1 378 . 1 . 1 48 48 ILE N N 15 126.034 . . . . . . . A 2283 ILE N . 30958 1 379 . 1 . 1 49 49 SER H H 1 9.200 . . . . . . . A 2284 SER H . 30958 1 380 . 1 . 1 49 49 SER HB3 H 1 3.559 . . . . . . . A 2284 SER HB3 . 30958 1 381 . 1 . 1 49 49 SER CB C 13 65.326 . . . . . . . A 2284 SER CB . 30958 1 382 . 1 . 1 49 49 SER N N 15 123.176 . . . . . . . A 2284 SER N . 30958 1 383 . 1 . 1 50 50 PHE H H 1 8.401 . . . . . . . A 2285 PHE H . 30958 1 384 . 1 . 1 50 50 PHE HA H 1 4.656 . . . . . . . A 2285 PHE HA . 30958 1 385 . 1 . 1 50 50 PHE HB2 H 1 2.886 . . . . . . . A 2285 PHE HB2 . 30958 1 386 . 1 . 1 50 50 PHE HB3 H 1 2.841 . . . . . . . A 2285 PHE HB3 . 30958 1 387 . 1 . 1 50 50 PHE CB C 13 43.097 . . . . . . . A 2285 PHE CB . 30958 1 388 . 1 . 1 50 50 PHE N N 15 121.572 . . . . . . . A 2285 PHE N . 30958 1 389 . 1 . 1 51 51 GLU H H 1 8.619 . . . . . . . A 2286 GLU H . 30958 1 390 . 1 . 1 51 51 GLU HA H 1 4.416 . . . . . . . A 2286 GLU HA . 30958 1 391 . 1 . 1 51 51 GLU HB2 H 1 1.895 . . . . . . . A 2286 GLU HB2 . 30958 1 392 . 1 . 1 51 51 GLU HG2 H 1 2.258 . . . . . . . A 2286 GLU HG2 . 30958 1 393 . 1 . 1 51 51 GLU HG3 H 1 2.093 . . . . . . . A 2286 GLU HG3 . 30958 1 394 . 1 . 1 51 51 GLU CG C 13 35.447 . . . . . . . A 2286 GLU CG . 30958 1 395 . 1 . 1 51 51 GLU N N 15 124.028 . . . . . . . A 2286 GLU N . 30958 1 396 . 1 . 1 52 52 ASP H H 1 8.701 . . . . . . . A 2287 ASP H . 30958 1 397 . 1 . 1 52 52 ASP HA H 1 4.719 . . . . . . . A 2287 ASP HA . 30958 1 398 . 1 . 1 52 52 ASP HB2 H 1 2.454 . . . . . . . A 2287 ASP HB2 . 30958 1 399 . 1 . 1 52 52 ASP HB3 H 1 2.639 . . . . . . . A 2287 ASP HB3 . 30958 1 400 . 1 . 1 52 52 ASP CB C 13 40.780 . . . . . . . A 2287 ASP CB . 30958 1 401 . 1 . 1 52 52 ASP N N 15 125.992 . . . . . . . A 2287 ASP N . 30958 1 402 . 1 . 1 53 53 ARG H H 1 8.216 . . . . . . . A 2288 ARG H . 30958 1 403 . 1 . 1 53 53 ARG HA H 1 4.192 . . . . . . . A 2288 ARG HA . 30958 1 404 . 1 . 1 53 53 ARG HB3 H 1 1.517 . . . . . . . A 2288 ARG HB3 . 30958 1 405 . 1 . 1 53 53 ARG HG3 H 1 1.271 . . . . . . . A 2288 ARG HG3 . 30958 1 406 . 1 . 1 53 53 ARG HD3 H 1 2.855 . . . . . . . A 2288 ARG HD3 . 30958 1 407 . 1 . 1 53 53 ARG CB C 13 28.676 . . . . . . . A 2288 ARG CB . 30958 1 408 . 1 . 1 53 53 ARG CG C 13 28.281 . . . . . . . A 2288 ARG CG . 30958 1 409 . 1 . 1 53 53 ARG CD C 13 41.905 . . . . . . . A 2288 ARG CD . 30958 1 410 . 1 . 1 53 53 ARG N N 15 124.943 . . . . . . . A 2288 ARG N . 30958 1 411 . 1 . 1 54 54 LYS H H 1 8.301 . . . . . . . A 2289 LYS H . 30958 1 412 . 1 . 1 54 54 LYS HA H 1 4.070 . . . . . . . A 2289 LYS HA . 30958 1 413 . 1 . 1 54 54 LYS HB2 H 1 1.831 . . . . . . . A 2289 LYS HB2 . 30958 1 414 . 1 . 1 54 54 LYS HB3 H 1 2.102 . . . . . . . A 2289 LYS HB3 . 30958 1 415 . 1 . 1 54 54 LYS HG2 H 1 1.303 . . . . . . . A 2289 LYS HG2 . 30958 1 416 . 1 . 1 54 54 LYS HG3 H 1 1.290 . . . . . . . A 2289 LYS HG3 . 30958 1 417 . 1 . 1 54 54 LYS HD2 H 1 1.620 . . . . . . . A 2289 LYS HD2 . 30958 1 418 . 1 . 1 54 54 LYS HD3 H 1 2.663 . . . . . . . A 2289 LYS HD3 . 30958 1 419 . 1 . 1 54 54 LYS CA C 13 56.375 . . . . . . . A 2289 LYS CA . 30958 1 420 . 1 . 1 54 54 LYS CG C 13 24.599 . . . . . . . A 2289 LYS CG . 30958 1 421 . 1 . 1 54 54 LYS CD C 13 28.763 . . . . . . . A 2289 LYS CD . 30958 1 422 . 1 . 1 54 54 LYS N N 15 120.478 . . . . . . . A 2289 LYS N . 30958 1 423 . 1 . 1 55 55 ASP H H 1 7.701 . . . . . . . A 2290 ASP H . 30958 1 424 . 1 . 1 55 55 ASP HA H 1 4.511 . . . . . . . A 2290 ASP HA . 30958 1 425 . 1 . 1 55 55 ASP HB2 H 1 2.438 . . . . . . . A 2290 ASP HB2 . 30958 1 426 . 1 . 1 55 55 ASP HB3 H 1 3.018 . . . . . . . A 2290 ASP HB3 . 30958 1 427 . 1 . 1 55 55 ASP CA C 13 52.703 . . . . . . . A 2290 ASP CA . 30958 1 428 . 1 . 1 55 55 ASP CB C 13 40.146 . . . . . . . A 2290 ASP CB . 30958 1 429 . 1 . 1 55 55 ASP N N 15 116.785 . . . . . . . A 2290 ASP N . 30958 1 430 . 1 . 1 56 56 GLY H H 1 8.318 . . . . . . . A 2291 GLY H . 30958 1 431 . 1 . 1 56 56 GLY HA2 H 1 4.251 . . . . . . . A 2291 GLY HA2 . 30958 1 432 . 1 . 1 56 56 GLY HA3 H 1 3.770 . . . . . . . A 2291 GLY HA3 . 30958 1 433 . 1 . 1 56 56 GLY CA C 13 45.138 . . . . . . . A 2291 GLY CA . 30958 1 434 . 1 . 1 56 56 GLY N N 15 108.636 . . . . . . . A 2291 GLY N . 30958 1 435 . 1 . 1 57 57 SER H H 1 8.180 . . . . . . . A 2292 SER H . 30958 1 436 . 1 . 1 57 57 SER HA H 1 4.390 . . . . . . . A 2292 SER HA . 30958 1 437 . 1 . 1 57 57 SER HB2 H 1 3.642 . . . . . . . A 2292 SER HB2 . 30958 1 438 . 1 . 1 57 57 SER HB3 H 1 3.445 . . . . . . . A 2292 SER HB3 . 30958 1 439 . 1 . 1 57 57 SER CA C 13 58.811 . . . . . . . A 2292 SER CA . 30958 1 440 . 1 . 1 57 57 SER N N 15 117.566 . . . . . . . A 2292 SER N . 30958 1 441 . 1 . 1 58 58 CYS H H 1 8.648 . . . . . . . A 2293 CYS H . 30958 1 442 . 1 . 1 58 58 CYS HB2 H 1 3.073 . . . . . . . A 2293 CYS HB2 . 30958 1 443 . 1 . 1 58 58 CYS HB3 H 1 2.789 . . . . . . . A 2293 CYS HB3 . 30958 1 444 . 1 . 1 58 58 CYS CB C 13 31.939 . . . . . . . A 2293 CYS CB . 30958 1 445 . 1 . 1 58 58 CYS N N 15 117.743 . . . . . . . A 2293 CYS N . 30958 1 446 . 1 . 1 59 59 GLY H H 1 9.006 . . . . . . . A 2294 GLY H . 30958 1 447 . 1 . 1 59 59 GLY HA2 H 1 4.365 . . . . . . . A 2294 GLY HA2 . 30958 1 448 . 1 . 1 59 59 GLY HA3 H 1 3.672 . . . . . . . A 2294 GLY HA3 . 30958 1 449 . 1 . 1 59 59 GLY CA C 13 44.589 . . . . . . . A 2294 GLY CA . 30958 1 450 . 1 . 1 59 59 GLY N N 15 113.100 . . . . . . . A 2294 GLY N . 30958 1 451 . 1 . 1 60 60 VAL H H 1 8.351 . . . . . . . A 2295 VAL H . 30958 1 452 . 1 . 1 60 60 VAL HA H 1 4.373 . . . . . . . A 2295 VAL HA . 30958 1 453 . 1 . 1 60 60 VAL HB H 1 -0.092 . . . . . . . A 2295 VAL HB . 30958 1 454 . 1 . 1 60 60 VAL HG11 H 1 0.330 . . . . . . . A 2295 VAL HG11 . 30958 1 455 . 1 . 1 60 60 VAL HG12 H 1 0.330 . . . . . . . A 2295 VAL HG12 . 30958 1 456 . 1 . 1 60 60 VAL HG13 H 1 0.330 . . . . . . . A 2295 VAL HG13 . 30958 1 457 . 1 . 1 60 60 VAL CA C 13 60.251 . . . . . . . A 2295 VAL CA . 30958 1 458 . 1 . 1 60 60 VAL CB C 13 33.220 . . . . . . . A 2295 VAL CB . 30958 1 459 . 1 . 1 60 60 VAL CG1 C 13 21.665 . . . . . . . A 2295 VAL CG1 . 30958 1 460 . 1 . 1 60 60 VAL N N 15 124.483 . . . . . . . A 2295 VAL N . 30958 1 461 . 1 . 1 61 61 ALA H H 1 8.355 . . . . . . . A 2296 ALA H . 30958 1 462 . 1 . 1 61 61 ALA HA H 1 4.758 . . . . . . . A 2296 ALA HA . 30958 1 463 . 1 . 1 61 61 ALA HB1 H 1 0.924 . . . . . . . A 2296 ALA HB1 . 30958 1 464 . 1 . 1 61 61 ALA HB2 H 1 0.924 . . . . . . . A 2296 ALA HB2 . 30958 1 465 . 1 . 1 61 61 ALA HB3 H 1 0.924 . . . . . . . A 2296 ALA HB3 . 30958 1 466 . 1 . 1 61 61 ALA CB C 13 21.776 . . . . . . . A 2296 ALA CB . 30958 1 467 . 1 . 1 61 61 ALA N N 15 127.727 . . . . . . . A 2296 ALA N . 30958 1 468 . 1 . 1 62 62 TYR H H 1 8.771 . . . . . . . A 2297 TYR H . 30958 1 469 . 1 . 1 62 62 TYR HA H 1 5.331 . . . . . . . A 2297 TYR HA . 30958 1 470 . 1 . 1 62 62 TYR HB2 H 1 2.474 . . . . . . . A 2297 TYR HB2 . 30958 1 471 . 1 . 1 62 62 TYR HB3 H 1 1.812 . . . . . . . A 2297 TYR HB3 . 30958 1 472 . 1 . 1 62 62 TYR HD1 H 1 6.401 . . . . . . . A 2297 TYR HD1 . 30958 1 473 . 1 . 1 62 62 TYR HE1 H 1 6.435 . . . . . . . A 2297 TYR HE1 . 30958 1 474 . 1 . 1 62 62 TYR CA C 13 49.824 . . . . . . . A 2297 TYR CA . 30958 1 475 . 1 . 1 62 62 TYR CB C 13 42.957 . . . . . . . A 2297 TYR CB . 30958 1 476 . 1 . 1 62 62 TYR N N 15 117.590 . . . . . . . A 2297 TYR N . 30958 1 477 . 1 . 1 63 63 VAL H H 1 8.229 . . . . . . . A 2298 VAL H . 30958 1 478 . 1 . 1 63 63 VAL HA H 1 5.816 . . . . . . . A 2298 VAL HA . 30958 1 479 . 1 . 1 63 63 VAL HB H 1 2.541 . . . . . . . A 2298 VAL HB . 30958 1 480 . 1 . 1 63 63 VAL HG11 H 1 0.522 . . . . . . . A 2298 VAL HG11 . 30958 1 481 . 1 . 1 63 63 VAL HG12 H 1 0.522 . . . . . . . A 2298 VAL HG12 . 30958 1 482 . 1 . 1 63 63 VAL HG13 H 1 0.522 . . . . . . . A 2298 VAL HG13 . 30958 1 483 . 1 . 1 63 63 VAL HG21 H 1 0.519 . . . . . . . A 2298 VAL HG21 . 30958 1 484 . 1 . 1 63 63 VAL HG22 H 1 0.519 . . . . . . . A 2298 VAL HG22 . 30958 1 485 . 1 . 1 63 63 VAL HG23 H 1 0.519 . . . . . . . A 2298 VAL HG23 . 30958 1 486 . 1 . 1 63 63 VAL CA C 13 54.616 . . . . . . . A 2298 VAL CA . 30958 1 487 . 1 . 1 63 63 VAL CG1 C 13 20.722 . . . . . . . A 2298 VAL CG1 . 30958 1 488 . 1 . 1 63 63 VAL CG2 C 13 20.618 . . . . . . . A 2298 VAL CG2 . 30958 1 489 . 1 . 1 63 63 VAL N N 15 117.716 . . . . . . . A 2298 VAL N . 30958 1 490 . 1 . 1 64 64 VAL H H 1 8.652 . . . . . . . A 2299 VAL H . 30958 1 491 . 1 . 1 64 64 VAL HA H 1 4.191 . . . . . . . A 2299 VAL HA . 30958 1 492 . 1 . 1 64 64 VAL HG11 H 1 0.329 . . . . . . . A 2299 VAL HG11 . 30958 1 493 . 1 . 1 64 64 VAL HG12 H 1 0.329 . . . . . . . A 2299 VAL HG12 . 30958 1 494 . 1 . 1 64 64 VAL HG13 H 1 0.329 . . . . . . . A 2299 VAL HG13 . 30958 1 495 . 1 . 1 64 64 VAL HG21 H 1 0.096 . . . . . . . A 2299 VAL HG21 . 30958 1 496 . 1 . 1 64 64 VAL HG22 H 1 0.096 . . . . . . . A 2299 VAL HG22 . 30958 1 497 . 1 . 1 64 64 VAL HG23 H 1 0.096 . . . . . . . A 2299 VAL HG23 . 30958 1 498 . 1 . 1 64 64 VAL CA C 13 60.266 . . . . . . . A 2299 VAL CA . 30958 1 499 . 1 . 1 64 64 VAL CG1 C 13 22.224 . . . . . . . A 2299 VAL CG1 . 30958 1 500 . 1 . 1 64 64 VAL CG2 C 13 18.213 . . . . . . . A 2299 VAL CG2 . 30958 1 501 . 1 . 1 64 64 VAL N N 15 121.201 . . . . . . . A 2299 VAL N . 30958 1 502 . 1 . 1 65 65 GLN H H 1 7.994 . . . . . . . A 2300 GLN H . 30958 1 503 . 1 . 1 65 65 GLN HA H 1 4.112 . . . . . . . A 2300 GLN HA . 30958 1 504 . 1 . 1 65 65 GLN HB2 H 1 1.803 . . . . . . . A 2300 GLN HB2 . 30958 1 505 . 1 . 1 65 65 GLN HB3 H 1 1.723 . . . . . . . A 2300 GLN HB3 . 30958 1 506 . 1 . 1 65 65 GLN HG2 H 1 2.290 . . . . . . . A 2300 GLN HG2 . 30958 1 507 . 1 . 1 65 65 GLN HG3 H 1 2.267 . . . . . . . A 2300 GLN HG3 . 30958 1 508 . 1 . 1 65 65 GLN HE21 H 1 6.807 . . . . . . . A 2300 GLN HE21 . 30958 1 509 . 1 . 1 65 65 GLN HE22 H 1 7.412 . . . . . . . A 2300 GLN HE22 . 30958 1 510 . 1 . 1 65 65 GLN CB C 13 30.649 . . . . . . . A 2300 GLN CB . 30958 1 511 . 1 . 1 65 65 GLN CG C 13 32.783 . . . . . . . A 2300 GLN CG . 30958 1 512 . 1 . 1 65 65 GLN N N 15 117.763 . . . . . . . A 2300 GLN N . 30958 1 513 . 1 . 1 65 65 GLN NE2 N 15 112.187 . . . . . . . A 2300 GLN NE2 . 30958 1 514 . 1 . 1 66 66 GLU H H 1 7.001 . . . . . . . A 2301 GLU H . 30958 1 515 . 1 . 1 66 66 GLU N N 15 115.572 . . . . . . . A 2301 GLU N . 30958 1 516 . 1 . 1 67 67 PRO HA H 1 4.194 . . . . . . . A 2302 PRO HA . 30958 1 517 . 1 . 1 67 67 PRO HB2 H 1 2.017 . . . . . . . A 2302 PRO HB2 . 30958 1 518 . 1 . 1 67 67 PRO HB3 H 1 1.493 . . . . . . . A 2302 PRO HB3 . 30958 1 519 . 1 . 1 67 67 PRO HG2 H 1 1.747 . . . . . . . A 2302 PRO HG2 . 30958 1 520 . 1 . 1 67 67 PRO CA C 13 62.795 . . . . . . . A 2302 PRO CA . 30958 1 521 . 1 . 1 68 68 GLY H H 1 8.644 . . . . . . . A 2303 GLY H . 30958 1 522 . 1 . 1 68 68 GLY HA2 H 1 4.147 . . . . . . . A 2303 GLY HA2 . 30958 1 523 . 1 . 1 68 68 GLY HA3 H 1 3.706 . . . . . . . A 2303 GLY HA3 . 30958 1 524 . 1 . 1 68 68 GLY CA C 13 44.145 . . . . . . . A 2303 GLY CA . 30958 1 525 . 1 . 1 68 68 GLY N N 15 106.551 . . . . . . . A 2303 GLY N . 30958 1 526 . 1 . 1 69 69 ASP H H 1 8.147 . . . . . . . A 2304 ASP H . 30958 1 527 . 1 . 1 69 69 ASP HA H 1 5.225 . . . . . . . A 2304 ASP HA . 30958 1 528 . 1 . 1 69 69 ASP HB2 H 1 2.264 . . . . . . . A 2304 ASP HB2 . 30958 1 529 . 1 . 1 69 69 ASP HB3 H 1 2.123 . . . . . . . A 2304 ASP HB3 . 30958 1 530 . 1 . 1 69 69 ASP CA C 13 53.792 . . . . . . . A 2304 ASP CA . 30958 1 531 . 1 . 1 69 69 ASP CB C 13 35.836 . . . . . . . A 2304 ASP CB . 30958 1 532 . 1 . 1 69 69 ASP N N 15 120.268 . . . . . . . A 2304 ASP N . 30958 1 533 . 1 . 1 70 70 TYR H H 1 8.739 . . . . . . . A 2305 TYR H . 30958 1 534 . 1 . 1 70 70 TYR HB2 H 1 2.705 . . . . . . . A 2305 TYR HB2 . 30958 1 535 . 1 . 1 70 70 TYR HB3 H 1 2.940 . . . . . . . A 2305 TYR HB3 . 30958 1 536 . 1 . 1 70 70 TYR HE1 H 1 6.704 . . . . . . . A 2305 TYR HE1 . 30958 1 537 . 1 . 1 70 70 TYR CB C 13 41.870 . . . . . . . A 2305 TYR CB . 30958 1 538 . 1 . 1 70 70 TYR N N 15 122.457 . . . . . . . A 2305 TYR N . 30958 1 539 . 1 . 1 71 71 GLU H H 1 9.036 . . . . . . . A 2306 GLU H . 30958 1 540 . 1 . 1 71 71 GLU HA H 1 5.172 . . . . . . . A 2306 GLU HA . 30958 1 541 . 1 . 1 71 71 GLU HG2 H 1 2.041 . . . . . . . A 2306 GLU HG2 . 30958 1 542 . 1 . 1 71 71 GLU HG3 H 1 1.787 . . . . . . . A 2306 GLU HG3 . 30958 1 543 . 1 . 1 71 71 GLU CA C 13 55.627 . . . . . . . A 2306 GLU CA . 30958 1 544 . 1 . 1 71 71 GLU CG C 13 37.477 . . . . . . . A 2306 GLU CG . 30958 1 545 . 1 . 1 71 71 GLU N N 15 120.371 . . . . . . . A 2306 GLU N . 30958 1 546 . 1 . 1 72 72 VAL H H 1 9.767 . . . . . . . A 2307 VAL H . 30958 1 547 . 1 . 1 72 72 VAL HA H 1 5.089 . . . . . . . A 2307 VAL HA . 30958 1 548 . 1 . 1 72 72 VAL HB H 1 1.843 . . . . . . . A 2307 VAL HB . 30958 1 549 . 1 . 1 72 72 VAL HG21 H 1 0.472 . . . . . . . A 2307 VAL HG21 . 30958 1 550 . 1 . 1 72 72 VAL HG22 H 1 0.472 . . . . . . . A 2307 VAL HG22 . 30958 1 551 . 1 . 1 72 72 VAL HG23 H 1 0.472 . . . . . . . A 2307 VAL HG23 . 30958 1 552 . 1 . 1 72 72 VAL CA C 13 58.781 . . . . . . . A 2307 VAL CA . 30958 1 553 . 1 . 1 72 72 VAL CB C 13 32.426 . . . . . . . A 2307 VAL CB . 30958 1 554 . 1 . 1 72 72 VAL CG2 C 13 19.891 . . . . . . . A 2307 VAL CG2 . 30958 1 555 . 1 . 1 72 72 VAL N N 15 131.167 . . . . . . . A 2307 VAL N . 30958 1 556 . 1 . 1 73 73 SER H H 1 9.475 . . . . . . . A 2308 SER H . 30958 1 557 . 1 . 1 73 73 SER N N 15 122.364 . . . . . . . A 2308 SER N . 30958 1 558 . 1 . 1 74 74 VAL H H 1 9.302 . . . . . . . A 2309 VAL H . 30958 1 559 . 1 . 1 74 74 VAL HA H 1 4.563 . . . . . . . A 2309 VAL HA . 30958 1 560 . 1 . 1 74 74 VAL HB H 1 2.032 . . . . . . . A 2309 VAL HB . 30958 1 561 . 1 . 1 74 74 VAL HG11 H 1 0.869 . . . . . . . A 2309 VAL HG11 . 30958 1 562 . 1 . 1 74 74 VAL HG12 H 1 0.869 . . . . . . . A 2309 VAL HG12 . 30958 1 563 . 1 . 1 74 74 VAL HG13 H 1 0.869 . . . . . . . A 2309 VAL HG13 . 30958 1 564 . 1 . 1 74 74 VAL HG21 H 1 0.858 . . . . . . . A 2309 VAL HG21 . 30958 1 565 . 1 . 1 74 74 VAL HG22 H 1 0.858 . . . . . . . A 2309 VAL HG22 . 30958 1 566 . 1 . 1 74 74 VAL HG23 H 1 0.858 . . . . . . . A 2309 VAL HG23 . 30958 1 567 . 1 . 1 74 74 VAL CG2 C 13 20.163 . . . . . . . A 2309 VAL CG2 . 30958 1 568 . 1 . 1 74 74 VAL N N 15 124.461 . . . . . . . A 2309 VAL N . 30958 1 569 . 1 . 1 75 75 LYS H H 1 8.548 . . . . . . . A 2310 LYS H . 30958 1 570 . 1 . 1 75 75 LYS N N 15 123.323 . . . . . . . A 2310 LYS N . 30958 1 571 . 1 . 1 76 76 PHE H H 1 9.028 . . . . . . . A 2311 PHE H . 30958 1 572 . 1 . 1 76 76 PHE HA H 1 5.020 . . . . . . . A 2311 PHE HA . 30958 1 573 . 1 . 1 76 76 PHE HB2 H 1 2.389 . . . . . . . A 2311 PHE HB2 . 30958 1 574 . 1 . 1 76 76 PHE HB3 H 1 2.709 . . . . . . . A 2311 PHE HB3 . 30958 1 575 . 1 . 1 76 76 PHE HD2 H 1 6.952 . . . . . . . A 2311 PHE HD2 . 30958 1 576 . 1 . 1 76 76 PHE CB C 13 42.802 . . . . . . . A 2311 PHE CB . 30958 1 577 . 1 . 1 76 76 PHE N N 15 122.243 . . . . . . . A 2311 PHE N . 30958 1 578 . 1 . 1 77 77 ASN H H 1 8.981 . . . . . . . A 2312 ASN H . 30958 1 579 . 1 . 1 77 77 ASN HA H 1 4.177 . . . . . . . A 2312 ASN HA . 30958 1 580 . 1 . 1 77 77 ASN HB2 H 1 2.858 . . . . . . . A 2312 ASN HB2 . 30958 1 581 . 1 . 1 77 77 ASN HB3 H 1 2.611 . . . . . . . A 2312 ASN HB3 . 30958 1 582 . 1 . 1 77 77 ASN HD21 H 1 6.657 . . . . . . . A 2312 ASN HD21 . 30958 1 583 . 1 . 1 77 77 ASN HD22 H 1 7.547 . . . . . . . A 2312 ASN HD22 . 30958 1 584 . 1 . 1 77 77 ASN CA C 13 55.631 . . . . . . . A 2312 ASN CA . 30958 1 585 . 1 . 1 77 77 ASN CB C 13 36.298 . . . . . . . A 2312 ASN CB . 30958 1 586 . 1 . 1 77 77 ASN N N 15 128.157 . . . . . . . A 2312 ASN N . 30958 1 587 . 1 . 1 77 77 ASN ND2 N 15 112.630 . . . . . . . A 2312 ASN ND2 . 30958 1 588 . 1 . 1 78 78 GLU H H 1 8.815 . . . . . . . A 2313 GLU H . 30958 1 589 . 1 . 1 78 78 GLU HA H 1 3.337 . . . . . . . A 2313 GLU HA . 30958 1 590 . 1 . 1 78 78 GLU HB3 H 1 2.116 . . . . . . . A 2313 GLU HB3 . 30958 1 591 . 1 . 1 78 78 GLU HG3 H 1 1.870 . . . . . . . A 2313 GLU HG3 . 30958 1 592 . 1 . 1 78 78 GLU CA C 13 57.626 . . . . . . . A 2313 GLU CA . 30958 1 593 . 1 . 1 78 78 GLU CB C 13 26.820 . . . . . . . A 2313 GLU CB . 30958 1 594 . 1 . 1 78 78 GLU CG C 13 36.026 . . . . . . . A 2313 GLU CG . 30958 1 595 . 1 . 1 78 78 GLU N N 15 105.573 . . . . . . . A 2313 GLU N . 30958 1 596 . 1 . 1 79 79 GLU H H 1 7.425 . . . . . . . A 2314 GLU H . 30958 1 597 . 1 . 1 79 79 GLU HB2 H 1 1.880 . . . . . . . A 2314 GLU HB2 . 30958 1 598 . 1 . 1 79 79 GLU HB3 H 1 2.147 . . . . . . . A 2314 GLU HB3 . 30958 1 599 . 1 . 1 79 79 GLU HG2 H 1 2.062 . . . . . . . A 2314 GLU HG2 . 30958 1 600 . 1 . 1 79 79 GLU HG3 H 1 2.240 . . . . . . . A 2314 GLU HG3 . 30958 1 601 . 1 . 1 79 79 GLU N N 15 119.937 . . . . . . . A 2314 GLU N . 30958 1 602 . 1 . 1 80 80 HIS H H 1 8.715 . . . . . . . A 2315 HIS H . 30958 1 603 . 1 . 1 80 80 HIS HA H 1 4.607 . . . . . . . A 2315 HIS HA . 30958 1 604 . 1 . 1 80 80 HIS HB2 H 1 3.081 . . . . . . . A 2315 HIS HB2 . 30958 1 605 . 1 . 1 80 80 HIS HB3 H 1 2.782 . . . . . . . A 2315 HIS HB3 . 30958 1 606 . 1 . 1 80 80 HIS HD2 H 1 7.012 . . . . . . . A 2315 HIS HD2 . 30958 1 607 . 1 . 1 80 80 HIS HE1 H 1 7.025 . . . . . . . A 2315 HIS HE1 . 30958 1 608 . 1 . 1 80 80 HIS CB C 13 32.263 . . . . . . . A 2315 HIS CB . 30958 1 609 . 1 . 1 80 80 HIS N N 15 123.118 . . . . . . . A 2315 HIS N . 30958 1 610 . 1 . 1 81 81 ILE H H 1 8.008 . . . . . . . A 2316 ILE H . 30958 1 611 . 1 . 1 81 81 ILE HA H 1 4.355 . . . . . . . A 2316 ILE HA . 30958 1 612 . 1 . 1 81 81 ILE HB H 1 1.483 . . . . . . . A 2316 ILE HB . 30958 1 613 . 1 . 1 81 81 ILE HG12 H 1 1.054 . . . . . . . A 2316 ILE HG12 . 30958 1 614 . 1 . 1 81 81 ILE HG13 H 1 0.862 . . . . . . . A 2316 ILE HG13 . 30958 1 615 . 1 . 1 81 81 ILE HG21 H 1 0.850 . . . . . . . A 2316 ILE HG21 . 30958 1 616 . 1 . 1 81 81 ILE HG22 H 1 0.850 . . . . . . . A 2316 ILE HG22 . 30958 1 617 . 1 . 1 81 81 ILE HG23 H 1 0.850 . . . . . . . A 2316 ILE HG23 . 30958 1 618 . 1 . 1 81 81 ILE HD11 H 1 0.085 . . . . . . . A 2316 ILE HD11 . 30958 1 619 . 1 . 1 81 81 ILE HD12 H 1 0.085 . . . . . . . A 2316 ILE HD12 . 30958 1 620 . 1 . 1 81 81 ILE HD13 H 1 0.085 . . . . . . . A 2316 ILE HD13 . 30958 1 621 . 1 . 1 81 81 ILE CG1 C 13 16.988 . . . . . . . A 2316 ILE CG1 . 30958 1 622 . 1 . 1 81 81 ILE CG2 C 13 25.125 . . . . . . . A 2316 ILE CG2 . 30958 1 623 . 1 . 1 81 81 ILE N N 15 117.934 . . . . . . . A 2316 ILE N . 30958 1 624 . 1 . 1 82 82 PRO HA H 1 4.055 . . . . . . . A 2317 PRO HA . 30958 1 625 . 1 . 1 82 82 PRO HB2 H 1 2.164 . . . . . . . A 2317 PRO HB2 . 30958 1 626 . 1 . 1 82 82 PRO HG2 H 1 1.753 . . . . . . . A 2317 PRO HG2 . 30958 1 627 . 1 . 1 82 82 PRO HD2 H 1 3.253 . . . . . . . A 2317 PRO HD2 . 30958 1 628 . 1 . 1 82 82 PRO HD3 H 1 3.688 . . . . . . . A 2317 PRO HD3 . 30958 1 629 . 1 . 1 82 82 PRO CA C 13 65.106 . . . . . . . A 2317 PRO CA . 30958 1 630 . 1 . 1 82 82 PRO CB C 13 29.689 . . . . . . . A 2317 PRO CB . 30958 1 631 . 1 . 1 82 82 PRO CG C 13 30.702 . . . . . . . A 2317 PRO CG . 30958 1 632 . 1 . 1 83 83 ASP H H 1 7.894 . . . . . . . A 2318 ASP H . 30958 1 633 . 1 . 1 83 83 ASP HA H 1 3.721 . . . . . . . A 2318 ASP HA . 30958 1 634 . 1 . 1 83 83 ASP HB2 H 1 3.193 . . . . . . . A 2318 ASP HB2 . 30958 1 635 . 1 . 1 83 83 ASP HB3 H 1 2.438 . . . . . . . A 2318 ASP HB3 . 30958 1 636 . 1 . 1 83 83 ASP CA C 13 56.888 . . . . . . . A 2318 ASP CA . 30958 1 637 . 1 . 1 83 83 ASP CB C 13 39.375 . . . . . . . A 2318 ASP CB . 30958 1 638 . 1 . 1 83 83 ASP N N 15 114.815 . . . . . . . A 2318 ASP N . 30958 1 639 . 1 . 1 84 84 SER H H 1 7.335 . . . . . . . A 2319 SER H . 30958 1 640 . 1 . 1 84 84 SER HA H 1 3.988 . . . . . . . A 2319 SER HA . 30958 1 641 . 1 . 1 84 84 SER HB3 H 1 3.568 . . . . . . . A 2319 SER HB3 . 30958 1 642 . 1 . 1 84 84 SER N N 15 111.633 . . . . . . . A 2319 SER N . 30958 1 643 . 1 . 1 85 85 PRO HA H 1 4.276 . . . . . . . A 2320 PRO HA . 30958 1 644 . 1 . 1 86 86 PHE H H 1 9.214 . . . . . . . A 2321 PHE H . 30958 1 645 . 1 . 1 86 86 PHE HA H 1 4.702 . . . . . . . A 2321 PHE HA . 30958 1 646 . 1 . 1 86 86 PHE HB3 H 1 2.810 . . . . . . . A 2321 PHE HB3 . 30958 1 647 . 1 . 1 86 86 PHE HD2 H 1 7.172 . . . . . . . A 2321 PHE HD2 . 30958 1 648 . 1 . 1 86 86 PHE CB C 13 41.726 . . . . . . . A 2321 PHE CB . 30958 1 649 . 1 . 1 86 86 PHE N N 15 121.644 . . . . . . . A 2321 PHE N . 30958 1 650 . 1 . 1 87 87 VAL H H 1 8.757 . . . . . . . A 2322 VAL H . 30958 1 651 . 1 . 1 87 87 VAL HA H 1 4.465 . . . . . . . A 2322 VAL HA . 30958 1 652 . 1 . 1 87 87 VAL HB H 1 1.832 . . . . . . . A 2322 VAL HB . 30958 1 653 . 1 . 1 87 87 VAL HG11 H 1 0.785 . . . . . . . A 2322 VAL HG11 . 30958 1 654 . 1 . 1 87 87 VAL HG12 H 1 0.785 . . . . . . . A 2322 VAL HG12 . 30958 1 655 . 1 . 1 87 87 VAL HG13 H 1 0.785 . . . . . . . A 2322 VAL HG13 . 30958 1 656 . 1 . 1 87 87 VAL HG21 H 1 0.635 . . . . . . . A 2322 VAL HG21 . 30958 1 657 . 1 . 1 87 87 VAL HG22 H 1 0.635 . . . . . . . A 2322 VAL HG22 . 30958 1 658 . 1 . 1 87 87 VAL HG23 H 1 0.635 . . . . . . . A 2322 VAL HG23 . 30958 1 659 . 1 . 1 87 87 VAL CG1 C 13 20.841 . . . . . . . A 2322 VAL CG1 . 30958 1 660 . 1 . 1 87 87 VAL N N 15 125.103 . . . . . . . A 2322 VAL N . 30958 1 661 . 1 . 1 88 88 VAL H H 1 9.411 . . . . . . . A 2323 VAL H . 30958 1 662 . 1 . 1 88 88 VAL HA H 1 4.512 . . . . . . . A 2323 VAL HA . 30958 1 663 . 1 . 1 88 88 VAL HB H 1 1.755 . . . . . . . A 2323 VAL HB . 30958 1 664 . 1 . 1 88 88 VAL HG11 H 1 0.607 . . . . . . . A 2323 VAL HG11 . 30958 1 665 . 1 . 1 88 88 VAL HG12 H 1 0.607 . . . . . . . A 2323 VAL HG12 . 30958 1 666 . 1 . 1 88 88 VAL HG13 H 1 0.607 . . . . . . . A 2323 VAL HG13 . 30958 1 667 . 1 . 1 88 88 VAL HG21 H 1 0.443 . . . . . . . A 2323 VAL HG21 . 30958 1 668 . 1 . 1 88 88 VAL HG22 H 1 0.443 . . . . . . . A 2323 VAL HG22 . 30958 1 669 . 1 . 1 88 88 VAL HG23 H 1 0.443 . . . . . . . A 2323 VAL HG23 . 30958 1 670 . 1 . 1 88 88 VAL CA C 13 62.595 . . . . . . . A 2323 VAL CA . 30958 1 671 . 1 . 1 88 88 VAL CB C 13 35.212 . . . . . . . A 2323 VAL CB . 30958 1 672 . 1 . 1 88 88 VAL CG1 C 13 19.960 . . . . . . . A 2323 VAL CG1 . 30958 1 673 . 1 . 1 88 88 VAL CG2 C 13 19.174 . . . . . . . A 2323 VAL CG2 . 30958 1 674 . 1 . 1 88 88 VAL N N 15 132.310 . . . . . . . A 2323 VAL N . 30958 1 675 . 1 . 1 89 89 PRO HA H 1 4.359 . . . . . . . A 2324 PRO HA . 30958 1 676 . 1 . 1 89 89 PRO HB2 H 1 1.893 . . . . . . . A 2324 PRO HB2 . 30958 1 677 . 1 . 1 89 89 PRO HB3 H 1 2.166 . . . . . . . A 2324 PRO HB3 . 30958 1 678 . 1 . 1 89 89 PRO HD2 H 1 2.964 . . . . . . . A 2324 PRO HD2 . 30958 1 679 . 1 . 1 89 89 PRO HD3 H 1 3.704 . . . . . . . A 2324 PRO HD3 . 30958 1 680 . 1 . 1 89 89 PRO CA C 13 63.362 . . . . . . . A 2324 PRO CA . 30958 1 681 . 1 . 1 89 89 PRO CB C 13 31.787 . . . . . . . A 2324 PRO CB . 30958 1 682 . 1 . 1 90 90 VAL H H 1 9.096 . . . . . . . A 2325 VAL H . 30958 1 683 . 1 . 1 90 90 VAL HA H 1 4.956 . . . . . . . A 2325 VAL HA . 30958 1 684 . 1 . 1 90 90 VAL HB H 1 2.314 . . . . . . . A 2325 VAL HB . 30958 1 685 . 1 . 1 90 90 VAL HG11 H 1 0.627 . . . . . . . A 2325 VAL HG11 . 30958 1 686 . 1 . 1 90 90 VAL HG12 H 1 0.627 . . . . . . . A 2325 VAL HG12 . 30958 1 687 . 1 . 1 90 90 VAL HG13 H 1 0.627 . . . . . . . A 2325 VAL HG13 . 30958 1 688 . 1 . 1 90 90 VAL HG21 H 1 0.434 . . . . . . . A 2325 VAL HG21 . 30958 1 689 . 1 . 1 90 90 VAL HG22 H 1 0.434 . . . . . . . A 2325 VAL HG22 . 30958 1 690 . 1 . 1 90 90 VAL HG23 H 1 0.434 . . . . . . . A 2325 VAL HG23 . 30958 1 691 . 1 . 1 90 90 VAL CA C 13 61.914 . . . . . . . A 2325 VAL CA . 30958 1 692 . 1 . 1 90 90 VAL CB C 13 31.313 . . . . . . . A 2325 VAL CB . 30958 1 693 . 1 . 1 90 90 VAL CG1 C 13 21.726 . . . . . . . A 2325 VAL CG1 . 30958 1 694 . 1 . 1 90 90 VAL CG2 C 13 19.205 . . . . . . . A 2325 VAL CG2 . 30958 1 695 . 1 . 1 90 90 VAL N N 15 126.509 . . . . . . . A 2325 VAL N . 30958 1 696 . 1 . 1 91 91 ALA H H 1 8.481 . . . . . . . A 2326 ALA H . 30958 1 697 . 1 . 1 91 91 ALA HA H 1 4.550 . . . . . . . A 2326 ALA HA . 30958 1 698 . 1 . 1 91 91 ALA HB1 H 1 1.433 . . . . . . . A 2326 ALA HB1 . 30958 1 699 . 1 . 1 91 91 ALA HB2 H 1 1.433 . . . . . . . A 2326 ALA HB2 . 30958 1 700 . 1 . 1 91 91 ALA HB3 H 1 1.433 . . . . . . . A 2326 ALA HB3 . 30958 1 701 . 1 . 1 91 91 ALA CA C 13 50.769 . . . . . . . A 2326 ALA CA . 30958 1 702 . 1 . 1 91 91 ALA CB C 13 21.302 . . . . . . . A 2326 ALA CB . 30958 1 703 . 1 . 1 91 91 ALA N N 15 131.669 . . . . . . . A 2326 ALA N . 30958 1 704 . 1 . 1 92 92 SER H H 1 8.604 . . . . . . . A 2327 SER H . 30958 1 705 . 1 . 1 92 92 SER HA H 1 4.444 . . . . . . . A 2327 SER HA . 30958 1 706 . 1 . 1 92 92 SER HB3 H 1 3.705 . . . . . . . A 2327 SER HB3 . 30958 1 707 . 1 . 1 92 92 SER CA C 13 57.356 . . . . . . . A 2327 SER CA . 30958 1 708 . 1 . 1 92 92 SER CB C 13 62.688 . . . . . . . A 2327 SER CB . 30958 1 709 . 1 . 1 92 92 SER N N 15 116.170 . . . . . . . A 2327 SER N . 30958 1 710 . 1 . 1 93 93 PRO HA H 1 4.409 . . . . . . . A 2328 PRO HA . 30958 1 711 . 1 . 1 93 93 PRO HB2 H 1 2.184 . . . . . . . A 2328 PRO HB2 . 30958 1 712 . 1 . 1 93 93 PRO HB3 H 1 2.197 . . . . . . . A 2328 PRO HB3 . 30958 1 713 . 1 . 1 93 93 PRO HG2 H 1 1.972 . . . . . . . A 2328 PRO HG2 . 30958 1 714 . 1 . 1 93 93 PRO HG3 H 1 1.830 . . . . . . . A 2328 PRO HG3 . 30958 1 715 . 1 . 1 93 93 PRO HD2 H 1 3.982 . . . . . . . A 2328 PRO HD2 . 30958 1 716 . 1 . 1 93 93 PRO CB C 13 31.757 . . . . . . . A 2328 PRO CB . 30958 1 717 . 1 . 1 93 93 PRO CG C 13 27.254 . . . . . . . A 2328 PRO CG . 30958 1 718 . 1 . 1 94 94 SER H H 1 8.463 . . . . . . . A 2329 SER H . 30958 1 719 . 1 . 1 94 94 SER HA H 1 4.263 . . . . . . . A 2329 SER HA . 30958 1 720 . 1 . 1 94 94 SER HB3 H 1 3.740 . . . . . . . A 2329 SER HB3 . 30958 1 721 . 1 . 1 94 94 SER CA C 13 58.423 . . . . . . . A 2329 SER CA . 30958 1 722 . 1 . 1 94 94 SER CB C 13 63.772 . . . . . . . A 2329 SER CB . 30958 1 723 . 1 . 1 94 94 SER N N 15 117.316 . . . . . . . A 2329 SER N . 30958 1 724 . 1 . 1 95 95 GLY H H 1 7.892 . . . . . . . A 2330 GLY H . 30958 1 725 . 1 . 1 95 95 GLY HA3 H 1 3.633 . . . . . . . A 2330 GLY HA3 . 30958 1 726 . 1 . 1 95 95 GLY CA C 13 45.825 . . . . . . . A 2330 GLY CA . 30958 1 727 . 1 . 1 95 95 GLY N N 15 117.001 . . . . . . . A 2330 GLY N . 30958 1 728 . 2 . 2 2 2 LYS H H 1 8.133 . . . . . . . B 989 LYS H . 30958 1 729 . 2 . 2 2 2 LYS HB3 H 1 1.629 . . . . . . . B 989 LYS HB3 . 30958 1 730 . 2 . 2 2 2 LYS HG3 H 1 1.244 . . . . . . . B 989 LYS HG3 . 30958 1 731 . 2 . 2 3 3 VAL H H 1 8.099 . . . . . . . B 990 VAL H . 30958 1 732 . 2 . 2 3 3 VAL HA H 1 3.811 . . . . . . . B 990 VAL HA . 30958 1 733 . 2 . 2 3 3 VAL HB H 1 1.904 . . . . . . . B 990 VAL HB . 30958 1 734 . 2 . 2 3 3 VAL HG11 H 1 0.808 . . . . . . . B 990 VAL HG11 . 30958 1 735 . 2 . 2 3 3 VAL HG12 H 1 0.808 . . . . . . . B 990 VAL HG12 . 30958 1 736 . 2 . 2 3 3 VAL HG13 H 1 0.808 . . . . . . . B 990 VAL HG13 . 30958 1 737 . 2 . 2 3 3 VAL HG21 H 1 0.800 . . . . . . . B 990 VAL HG21 . 30958 1 738 . 2 . 2 3 3 VAL HG22 H 1 0.800 . . . . . . . B 990 VAL HG22 . 30958 1 739 . 2 . 2 3 3 VAL HG23 H 1 0.800 . . . . . . . B 990 VAL HG23 . 30958 1 740 . 2 . 2 4 4 GLY H H 1 8.419 . . . . . . . B 991 GLY H . 30958 1 741 . 2 . 2 4 4 GLY HA3 H 1 3.755 . . . . . . . B 991 GLY HA3 . 30958 1 742 . 2 . 2 5 5 PHE H H 1 7.946 . . . . . . . B 992 PHE H . 30958 1 743 . 2 . 2 5 5 PHE HA H 1 4.411 . . . . . . . B 992 PHE HA . 30958 1 744 . 2 . 2 5 5 PHE HB3 H 1 2.786 . . . . . . . B 992 PHE HB3 . 30958 1 745 . 2 . 2 5 5 PHE HD1 H 1 6.949 . . . . . . . B 992 PHE HD1 . 30958 1 746 . 2 . 2 5 5 PHE HE1 H 1 7.034 . . . . . . . B 992 PHE HE1 . 30958 1 747 . 2 . 2 5 5 PHE HZ H 1 7.132 . . . . . . . B 992 PHE HZ . 30958 1 748 . 2 . 2 6 6 PHE H H 1 8.019 . . . . . . . B 993 PHE H . 30958 1 749 . 2 . 2 6 6 PHE HA H 1 4.431 . . . . . . . B 993 PHE HA . 30958 1 750 . 2 . 2 6 6 PHE HB3 H 1 3.006 . . . . . . . B 993 PHE HB3 . 30958 1 751 . 2 . 2 6 6 PHE HD1 H 1 7.035 . . . . . . . B 993 PHE HD1 . 30958 1 752 . 2 . 2 6 6 PHE HE1 H 1 7.062 . . . . . . . B 993 PHE HE1 . 30958 1 753 . 2 . 2 6 6 PHE HZ H 1 7.156 . . . . . . . B 993 PHE HZ . 30958 1 754 . 2 . 2 7 7 LYS H H 1 8.073 . . . . . . . B 994 LYS H . 30958 1 755 . 2 . 2 7 7 LYS HA H 1 4.539 . . . . . . . B 994 LYS HA . 30958 1 756 . 2 . 2 7 7 LYS HG3 H 1 1.353 . . . . . . . B 994 LYS HG3 . 30958 1 757 . 2 . 2 7 7 LYS HD3 H 1 1.526 . . . . . . . B 994 LYS HD3 . 30958 1 758 . 2 . 2 8 8 ARG H H 1 8.193 . . . . . . . B 995 ARG H . 30958 1 759 . 2 . 2 8 8 ARG HA H 1 4.143 . . . . . . . B 995 ARG HA . 30958 1 760 . 2 . 2 8 8 ARG HB3 H 1 1.727 . . . . . . . B 995 ARG HB3 . 30958 1 761 . 2 . 2 9 9 ASN H H 1 8.432 . . . . . . . B 996 ASN H . 30958 1 762 . 2 . 2 9 9 ASN HA H 1 4.188 . . . . . . . B 996 ASN HA . 30958 1 763 . 2 . 2 9 9 ASN HB2 H 1 2.611 . . . . . . . B 996 ASN HB2 . 30958 1 764 . 2 . 2 9 9 ASN HB3 H 1 2.606 . . . . . . . B 996 ASN HB3 . 30958 1 765 . 2 . 2 9 9 ASN HD21 H 1 7.500 . . . . . . . B 996 ASN HD21 . 30958 1 766 . 2 . 2 9 9 ASN HD22 H 1 7.029 . . . . . . . B 996 ASN HD22 . 30958 1 767 . 2 . 2 10 10 ARG H H 1 7.955 . . . . . . . B 997 ARG H . 30958 1 768 . 2 . 2 10 10 ARG HA H 1 4.477 . . . . . . . B 997 ARG HA . 30958 1 769 . 2 . 2 10 10 ARG HB3 H 1 1.744 . . . . . . . B 997 ARG HB3 . 30958 1 770 . 2 . 2 13 13 LEU H H 1 8.193 . . . . . . . B 1000 LEU H . 30958 1 771 . 2 . 2 13 13 LEU HA H 1 4.167 . . . . . . . B 1000 LEU HA . 30958 1 772 . 2 . 2 13 13 LEU HB3 H 1 1.460 . . . . . . . B 1000 LEU HB3 . 30958 1 773 . 2 . 2 13 13 LEU HG H 1 1.481 . . . . . . . B 1000 LEU HG . 30958 1 774 . 2 . 2 13 13 LEU HD11 H 1 0.760 . . . . . . . B 1000 LEU HD11 . 30958 1 775 . 2 . 2 13 13 LEU HD12 H 1 0.760 . . . . . . . B 1000 LEU HD12 . 30958 1 776 . 2 . 2 13 13 LEU HD13 H 1 0.760 . . . . . . . B 1000 LEU HD13 . 30958 1 777 . 2 . 2 14 14 GLU H H 1 8.250 . . . . . . . B 1001 GLU H . 30958 1 778 . 2 . 2 14 14 GLU HA H 1 4.252 . . . . . . . B 1001 GLU HA . 30958 1 779 . 2 . 2 14 14 GLU HB2 H 1 1.848 . . . . . . . B 1001 GLU HB2 . 30958 1 780 . 2 . 2 14 14 GLU HB3 H 1 1.763 . . . . . . . B 1001 GLU HB3 . 30958 1 781 . 2 . 2 15 15 GLU H H 1 8.329 . . . . . . . B 1002 GLU H . 30958 1 782 . 2 . 2 16 16 ASP H H 1 8.299 . . . . . . . B 1003 ASP H . 30958 1 783 . 2 . 2 16 16 ASP HA H 1 4.486 . . . . . . . B 1003 ASP HA . 30958 1 784 . 2 . 2 16 16 ASP HB2 H 1 2.488 . . . . . . . B 1003 ASP HB2 . 30958 1 785 . 2 . 2 16 16 ASP HB3 H 1 2.563 . . . . . . . B 1003 ASP HB3 . 30958 1 786 . 2 . 2 17 17 ASP H H 1 8.175 . . . . . . . B 1004 ASP H . 30958 1 787 . 2 . 2 17 17 ASP HA H 1 4.484 . . . . . . . B 1004 ASP HA . 30958 1 788 . 2 . 2 17 17 ASP HB2 H 1 2.491 . . . . . . . B 1004 ASP HB2 . 30958 1 789 . 2 . 2 17 17 ASP HB3 H 1 2.576 . . . . . . . B 1004 ASP HB3 . 30958 1 790 . 2 . 2 18 18 GLU H H 1 8.251 . . . . . . . B 1005 GLU H . 30958 1 791 . 2 . 2 18 18 GLU HA H 1 4.131 . . . . . . . B 1005 GLU HA . 30958 1 792 . 2 . 2 18 18 GLU HB2 H 1 1.797 . . . . . . . B 1005 GLU HB2 . 30958 1 793 . 2 . 2 18 18 GLU HB3 H 1 1.927 . . . . . . . B 1005 GLU HB3 . 30958 1 794 . 2 . 2 18 18 GLU HG2 H 1 2.122 . . . . . . . B 1005 GLU HG2 . 30958 1 795 . 2 . 2 19 19 GLU H H 1 8.320 . . . . . . . B 1006 GLU H . 30958 1 796 . 2 . 2 19 19 GLU HA H 1 4.144 . . . . . . . B 1006 GLU HA . 30958 1 797 . 2 . 2 19 19 GLU HB2 H 1 1.820 . . . . . . . B 1006 GLU HB2 . 30958 1 798 . 2 . 2 19 19 GLU HB3 H 1 1.944 . . . . . . . B 1006 GLU HB3 . 30958 1 799 . 2 . 2 19 19 GLU HG2 H 1 2.141 . . . . . . . B 1006 GLU HG2 . 30958 1 800 . 2 . 2 20 20 GLY H H 1 8.243 . . . . . . . B 1007 GLY H . 30958 1 801 . 2 . 2 20 20 GLY HA2 H 1 3.827 . . . . . . . B 1007 GLY HA2 . 30958 1 802 . 2 . 2 20 20 GLY HA3 H 1 3.827 . . . . . . . B 1007 GLY HA3 . 30958 1 803 . 2 . 2 21 21 GLU H H 1 7.833 . . . . . . . B 1008 GLU H . 30958 1 804 . 2 . 2 21 21 GLU HA H 1 3.987 . . . . . . . B 1008 GLU HA . 30958 1 805 . 2 . 2 21 21 GLU HB2 H 1 1.745 . . . . . . . B 1008 GLU HB2 . 30958 1 806 . 2 . 2 21 21 GLU HB3 H 1 1.914 . . . . . . . B 1008 GLU HB3 . 30958 1 807 . 2 . 2 21 21 GLU HG2 H 1 2.078 . . . . . . . B 1008 GLU HG2 . 30958 1 stop_ save_