data_30969 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30969 _Entry.Title ; Solution Structure of Sds3 Capped Tudor Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-23 _Entry.Accession_date 2021-11-23 _Entry.Last_release_date 2021-11-30 _Entry.Original_release_date 2021-11-30 _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 R. Marcum R. D. . . 30969 2 I. Radhakrishnan I. . . . 30969 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'G-quadruplex binding' . 30969 'GENE REGULATION' . 30969 'Nucleic acid binding' . 30969 'Transcriptional corepressor' . 30969 'Tudor domain' . 30969 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30969 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 30969 '15N chemical shifts' 89 30969 '1H chemical shifts' 534 30969 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-04-11 2021-11-23 update BMRB 'update entry citation' 30969 1 . . 2022-01-14 2021-11-23 original author 'original release' 30969 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7SXI 'BMRB Entry Tracking System' 30969 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30969 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34979096 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Capped Tudor Domain within a Core Subunit of the Sin3L/Rpd3L Histone Deacetylase Complex Binds to Nucleic Acid G-Quadruplexes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 298 _Citation.Journal_issue 2 _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 101558 _Citation.Page_last 101558 _Citation.Year 2021 _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 R. Marcum R. D. . . 30969 1 2 J. Hsieh J. . . . 30969 1 3 M. Giljen M. . . . 30969 1 4 E. Justice E. . . . 30969 1 5 N. Daffern N. . . . 30969 1 6 Y. Zhang Y. . . . 30969 1 7 I. Radhakrishnan I. . . . 30969 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30969 _Assembly.ID 1 _Assembly.Name 'Sin3 histone deacetylase corepressor complex component SDS3' _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 . . . . . . 30969 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30969 _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 ; SNAQRFEARIEDGKLYYDKR WYHKSQAIYLESKDNQKLSC VISSVGANEIWVRKTSDSTK MRIYVGQLQRGLFVIRRRS ; _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 79 _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 9390.714 _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 'Suppressor of defective silencing 3 protein homolog' common 30969 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 1 248 SER . 30969 1 2 249 ASN . 30969 1 3 250 ALA . 30969 1 4 251 GLN . 30969 1 5 252 ARG . 30969 1 6 253 PHE . 30969 1 7 254 GLU . 30969 1 8 255 ALA . 30969 1 9 256 ARG . 30969 1 10 257 ILE . 30969 1 11 258 GLU . 30969 1 12 259 ASP . 30969 1 13 260 GLY . 30969 1 14 261 LYS . 30969 1 15 262 LEU . 30969 1 16 263 TYR . 30969 1 17 264 TYR . 30969 1 18 265 ASP . 30969 1 19 266 LYS . 30969 1 20 267 ARG . 30969 1 21 268 TRP . 30969 1 22 269 TYR . 30969 1 23 270 HIS . 30969 1 24 271 LYS . 30969 1 25 272 SER . 30969 1 26 273 GLN . 30969 1 27 274 ALA . 30969 1 28 275 ILE . 30969 1 29 276 TYR . 30969 1 30 277 LEU . 30969 1 31 278 GLU . 30969 1 32 279 SER . 30969 1 33 280 LYS . 30969 1 34 281 ASP . 30969 1 35 282 ASN . 30969 1 36 283 GLN . 30969 1 37 284 LYS . 30969 1 38 285 LEU . 30969 1 39 286 SER . 30969 1 40 287 CYS . 30969 1 41 288 VAL . 30969 1 42 289 ILE . 30969 1 43 290 SER . 30969 1 44 291 SER . 30969 1 45 292 VAL . 30969 1 46 293 GLY . 30969 1 47 294 ALA . 30969 1 48 295 ASN . 30969 1 49 296 GLU . 30969 1 50 297 ILE . 30969 1 51 298 TRP . 30969 1 52 299 VAL . 30969 1 53 300 ARG . 30969 1 54 301 LYS . 30969 1 55 302 THR . 30969 1 56 303 SER . 30969 1 57 304 ASP . 30969 1 58 305 SER . 30969 1 59 306 THR . 30969 1 60 307 LYS . 30969 1 61 308 MET . 30969 1 62 309 ARG . 30969 1 63 310 ILE . 30969 1 64 311 TYR . 30969 1 65 312 VAL . 30969 1 66 313 GLY . 30969 1 67 314 GLN . 30969 1 68 315 LEU . 30969 1 69 316 GLN . 30969 1 70 317 ARG . 30969 1 71 318 GLY . 30969 1 72 319 LEU . 30969 1 73 320 PHE . 30969 1 74 321 VAL . 30969 1 75 322 ILE . 30969 1 76 323 ARG . 30969 1 77 324 ARG . 30969 1 78 325 ARG . 30969 1 79 326 SER . 30969 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 30969 1 . ASN 2 2 30969 1 . ALA 3 3 30969 1 . GLN 4 4 30969 1 . ARG 5 5 30969 1 . PHE 6 6 30969 1 . GLU 7 7 30969 1 . ALA 8 8 30969 1 . ARG 9 9 30969 1 . ILE 10 10 30969 1 . GLU 11 11 30969 1 . ASP 12 12 30969 1 . GLY 13 13 30969 1 . LYS 14 14 30969 1 . LEU 15 15 30969 1 . TYR 16 16 30969 1 . TYR 17 17 30969 1 . ASP 18 18 30969 1 . LYS 19 19 30969 1 . ARG 20 20 30969 1 . TRP 21 21 30969 1 . TYR 22 22 30969 1 . HIS 23 23 30969 1 . LYS 24 24 30969 1 . SER 25 25 30969 1 . GLN 26 26 30969 1 . ALA 27 27 30969 1 . ILE 28 28 30969 1 . TYR 29 29 30969 1 . LEU 30 30 30969 1 . GLU 31 31 30969 1 . SER 32 32 30969 1 . LYS 33 33 30969 1 . ASP 34 34 30969 1 . ASN 35 35 30969 1 . GLN 36 36 30969 1 . LYS 37 37 30969 1 . LEU 38 38 30969 1 . SER 39 39 30969 1 . CYS 40 40 30969 1 . VAL 41 41 30969 1 . ILE 42 42 30969 1 . SER 43 43 30969 1 . SER 44 44 30969 1 . VAL 45 45 30969 1 . GLY 46 46 30969 1 . ALA 47 47 30969 1 . ASN 48 48 30969 1 . GLU 49 49 30969 1 . ILE 50 50 30969 1 . TRP 51 51 30969 1 . VAL 52 52 30969 1 . ARG 53 53 30969 1 . LYS 54 54 30969 1 . THR 55 55 30969 1 . SER 56 56 30969 1 . ASP 57 57 30969 1 . SER 58 58 30969 1 . THR 59 59 30969 1 . LYS 60 60 30969 1 . MET 61 61 30969 1 . ARG 62 62 30969 1 . ILE 63 63 30969 1 . TYR 64 64 30969 1 . VAL 65 65 30969 1 . GLY 66 66 30969 1 . GLN 67 67 30969 1 . LEU 68 68 30969 1 . GLN 69 69 30969 1 . ARG 70 70 30969 1 . GLY 71 71 30969 1 . LEU 72 72 30969 1 . PHE 73 73 30969 1 . VAL 74 74 30969 1 . ILE 75 75 30969 1 . ARG 76 76 30969 1 . ARG 77 77 30969 1 . ARG 78 78 30969 1 . SER 79 79 30969 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30969 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Suds3, Sds3' . 30969 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 30969 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30969 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30969 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.35 mM [U-100% 15N] Sds3 CTD, 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 'Sds3 CTD' '[U-100% 15N]' . . 1 $entity_1 . . 0.35 . . mM . . . . 30969 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 30969 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30969 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30969 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30969 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.35 mM [U-100% 13C; U-100% 15N] Sds3 CTD, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Sds3 CTD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.35 . . mM . . . . 30969 2 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 30969 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30969 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30969 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30969 _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' 0.07 . M 30969 1 pH 6.0 . pH 30969 1 pressure 1 . atm 30969 1 temperature 298 . K 30969 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30969 _Software.ID 1 _Software.Type . _Software.Name Felix _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 30969 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30969 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30969 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30969 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30969 2 'structure calculation' . 30969 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30969 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL. Bioinformatics. 2015 Apr 15; 31(8):1325-7.' . . 30969 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30969 3 'peak picking' . 30969 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 30969 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'Direct Drive' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30969 _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 Agilent 'Direct Drive' . 600 . . . 30969 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 30969 _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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 1 5 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 1 6 '3D C(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 1 8 '3D HCCH-COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30969 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 30969 _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 carbons' . . . . ppm 0 external indirect 0.25144953 . . . . . 30969 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 30969 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 external indirect 0.1013291444 . . . . . 30969 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 30969 _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 ; No stereospecific assignments were made for geminal atoms/groups (both 1H and 13C). Also, HE1/HE2 and HD1/HD2 (and the associated carbons) in aromatic groups had equivalent shifts. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 30969 1 2 '3D 1H-13C NOESY aliphatic' . . . 30969 1 3 '2D 1H-1H NOESY' . . . 30969 1 4 '3D CBCA(CO)NH' . . . 30969 1 5 '3D HNCACB' . . . 30969 1 6 '3D C(CO)NH' . . . 30969 1 7 '3D HCCH-TOCSY' . . . 30969 1 8 '3D HCCH-COSY' . . . 30969 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 SER HA H 1 4.09 0.03 . . . . . . A 248 SER HA . 30969 1 2 . 1 . 1 1 1 SER HB3 H 1 3.93 0.03 . . . . . . A 248 SER HB3 . 30969 1 3 . 1 . 1 1 1 SER CA C 13 57.33 0.20 . . . . . . A 248 SER CA . 30969 1 4 . 1 . 1 1 1 SER CB C 13 63.34 0.20 . . . . . . A 248 SER CB . 30969 1 5 . 1 . 1 2 2 ASN HA H 1 4.71 0.03 . . . . . . A 249 ASN HA . 30969 1 6 . 1 . 1 2 2 ASN HB2 H 1 2.72 0.03 . . . . . . A 249 ASN HB2 . 30969 1 7 . 1 . 1 2 2 ASN HB3 H 1 2.81 0.03 . . . . . . A 249 ASN HB3 . 30969 1 8 . 1 . 1 2 2 ASN HD21 H 1 7.60 0.03 . . . . . . A 249 ASN HD21 . 30969 1 9 . 1 . 1 2 2 ASN HD22 H 1 6.93 0.03 . . . . . . A 249 ASN HD22 . 30969 1 10 . 1 . 1 2 2 ASN C C 13 174.63 0.20 . . . . . . A 249 ASN C . 30969 1 11 . 1 . 1 2 2 ASN CA C 13 53.43 0.20 . . . . . . A 249 ASN CA . 30969 1 12 . 1 . 1 2 2 ASN CB C 13 39.06 0.20 . . . . . . A 249 ASN CB . 30969 1 13 . 1 . 1 2 2 ASN ND2 N 15 112.77 0.30 . . . . . . A 249 ASN ND2 . 30969 1 14 . 1 . 1 3 3 ALA H H 1 8.32 0.03 . . . . . . A 250 ALA H . 30969 1 15 . 1 . 1 3 3 ALA HA H 1 4.22 0.03 . . . . . . A 250 ALA HA . 30969 1 16 . 1 . 1 3 3 ALA HB1 H 1 1.30 0.03 . . . . . . A 250 ALA HB1 . 30969 1 17 . 1 . 1 3 3 ALA HB2 H 1 1.30 0.03 . . . . . . A 250 ALA HB2 . 30969 1 18 . 1 . 1 3 3 ALA HB3 H 1 1.30 0.03 . . . . . . A 250 ALA HB3 . 30969 1 19 . 1 . 1 3 3 ALA C C 13 177.29 0.20 . . . . . . A 250 ALA C . 30969 1 20 . 1 . 1 3 3 ALA CA C 13 52.77 0.20 . . . . . . A 250 ALA CA . 30969 1 21 . 1 . 1 3 3 ALA CB C 13 19.38 0.20 . . . . . . A 250 ALA CB . 30969 1 22 . 1 . 1 3 3 ALA N N 15 124.10 0.30 . . . . . . A 250 ALA N . 30969 1 23 . 1 . 1 4 4 GLN H H 1 8.21 0.03 . . . . . . A 251 GLN H . 30969 1 24 . 1 . 1 4 4 GLN HA H 1 4.14 0.03 . . . . . . A 251 GLN HA . 30969 1 25 . 1 . 1 4 4 GLN HB2 H 1 1.87 0.03 . . . . . . A 251 GLN HB2 . 30969 1 26 . 1 . 1 4 4 GLN HB3 H 1 1.93 0.03 . . . . . . A 251 GLN HB3 . 30969 1 27 . 1 . 1 4 4 GLN HG3 H 1 2.16 0.03 . . . . . . A 251 GLN HG3 . 30969 1 28 . 1 . 1 4 4 GLN HE21 H 1 7.40 0.03 . . . . . . A 251 GLN HE21 . 30969 1 29 . 1 . 1 4 4 GLN HE22 H 1 6.80 0.03 . . . . . . A 251 GLN HE22 . 30969 1 30 . 1 . 1 4 4 GLN C C 13 175.00 0.20 . . . . . . A 251 GLN C . 30969 1 31 . 1 . 1 4 4 GLN CA C 13 55.89 0.20 . . . . . . A 251 GLN CA . 30969 1 32 . 1 . 1 4 4 GLN CB C 13 29.50 0.20 . . . . . . A 251 GLN CB . 30969 1 33 . 1 . 1 4 4 GLN CG C 13 34.02 0.20 . . . . . . A 251 GLN CG . 30969 1 34 . 1 . 1 4 4 GLN N N 15 119.28 0.30 . . . . . . A 251 GLN N . 30969 1 35 . 1 . 1 4 4 GLN NE2 N 15 111.79 0.30 . . . . . . A 251 GLN NE2 . 30969 1 36 . 1 . 1 5 5 ARG H H 1 7.94 0.03 . . . . . . A 252 ARG H . 30969 1 37 . 1 . 1 5 5 ARG HA H 1 4.36 0.03 . . . . . . A 252 ARG HA . 30969 1 38 . 1 . 1 5 5 ARG HB3 H 1 1.55 0.03 . . . . . . A 252 ARG HB3 . 30969 1 39 . 1 . 1 5 5 ARG HG2 H 1 1.27 0.03 . . . . . . A 252 ARG HG2 . 30969 1 40 . 1 . 1 5 5 ARG HG3 H 1 1.39 0.03 . . . . . . A 252 ARG HG3 . 30969 1 41 . 1 . 1 5 5 ARG HD3 H 1 3.06 0.03 . . . . . . A 252 ARG HD3 . 30969 1 42 . 1 . 1 5 5 ARG C C 13 175.46 0.20 . . . . . . A 252 ARG C . 30969 1 43 . 1 . 1 5 5 ARG CA C 13 56.31 0.20 . . . . . . A 252 ARG CA . 30969 1 44 . 1 . 1 5 5 ARG CB C 13 32.23 0.20 . . . . . . A 252 ARG CB . 30969 1 45 . 1 . 1 5 5 ARG CG C 13 27.30 0.20 . . . . . . A 252 ARG CG . 30969 1 46 . 1 . 1 5 5 ARG CD C 13 43.35 0.20 . . . . . . A 252 ARG CD . 30969 1 47 . 1 . 1 5 5 ARG N N 15 122.53 0.30 . . . . . . A 252 ARG N . 30969 1 48 . 1 . 1 6 6 PHE H H 1 8.76 0.03 . . . . . . A 253 PHE H . 30969 1 49 . 1 . 1 6 6 PHE HA H 1 4.70 0.03 . . . . . . A 253 PHE HA . 30969 1 50 . 1 . 1 6 6 PHE HB2 H 1 2.75 0.03 . . . . . . A 253 PHE HB2 . 30969 1 51 . 1 . 1 6 6 PHE HB3 H 1 3.05 0.03 . . . . . . A 253 PHE HB3 . 30969 1 52 . 1 . 1 6 6 PHE HD1 H 1 7.04 0.03 . . . . . . A 253 PHE HD1 . 30969 1 53 . 1 . 1 6 6 PHE C C 13 175.42 0.20 . . . . . . A 253 PHE C . 30969 1 54 . 1 . 1 6 6 PHE CA C 13 56.98 0.20 . . . . . . A 253 PHE CA . 30969 1 55 . 1 . 1 6 6 PHE CB C 13 43.09 0.20 . . . . . . A 253 PHE CB . 30969 1 56 . 1 . 1 6 6 PHE CD1 C 13 132.01 0.20 . . . . . . A 253 PHE CD1 . 30969 1 57 . 1 . 1 6 6 PHE N N 15 118.33 0.30 . . . . . . A 253 PHE N . 30969 1 58 . 1 . 1 7 7 GLU H H 1 8.80 0.03 . . . . . . A 254 GLU H . 30969 1 59 . 1 . 1 7 7 GLU HA H 1 4.42 0.03 . . . . . . A 254 GLU HA . 30969 1 60 . 1 . 1 7 7 GLU HB2 H 1 1.94 0.03 . . . . . . A 254 GLU HB2 . 30969 1 61 . 1 . 1 7 7 GLU HB3 H 1 2.03 0.03 . . . . . . A 254 GLU HB3 . 30969 1 62 . 1 . 1 7 7 GLU HG2 H 1 2.17 0.03 . . . . . . A 254 GLU HG2 . 30969 1 63 . 1 . 1 7 7 GLU HG3 H 1 2.34 0.03 . . . . . . A 254 GLU HG3 . 30969 1 64 . 1 . 1 7 7 GLU C C 13 175.93 0.20 . . . . . . A 254 GLU C . 30969 1 65 . 1 . 1 7 7 GLU CA C 13 56.06 0.20 . . . . . . A 254 GLU CA . 30969 1 66 . 1 . 1 7 7 GLU CB C 13 31.10 0.20 . . . . . . A 254 GLU CB . 30969 1 67 . 1 . 1 7 7 GLU CG C 13 36.65 0.20 . . . . . . A 254 GLU CG . 30969 1 68 . 1 . 1 7 7 GLU N N 15 121.86 0.30 . . . . . . A 254 GLU N . 30969 1 69 . 1 . 1 8 8 ALA H H 1 8.59 0.03 . . . . . . A 255 ALA H . 30969 1 70 . 1 . 1 8 8 ALA HA H 1 5.66 0.03 . . . . . . A 255 ALA HA . 30969 1 71 . 1 . 1 8 8 ALA HB1 H 1 1.47 0.03 . . . . . . A 255 ALA HB1 . 30969 1 72 . 1 . 1 8 8 ALA HB2 H 1 1.47 0.03 . . . . . . A 255 ALA HB2 . 30969 1 73 . 1 . 1 8 8 ALA HB3 H 1 1.47 0.03 . . . . . . A 255 ALA HB3 . 30969 1 74 . 1 . 1 8 8 ALA C C 13 175.15 0.20 . . . . . . A 255 ALA C . 30969 1 75 . 1 . 1 8 8 ALA CA C 13 51.94 0.20 . . . . . . A 255 ALA CA . 30969 1 76 . 1 . 1 8 8 ALA CB C 13 23.24 0.20 . . . . . . A 255 ALA CB . 30969 1 77 . 1 . 1 8 8 ALA N N 15 124.62 0.30 . . . . . . A 255 ALA N . 30969 1 78 . 1 . 1 9 9 ARG H H 1 9.29 0.03 . . . . . . A 256 ARG H . 30969 1 79 . 1 . 1 9 9 ARG HA H 1 4.71 0.03 . . . . . . A 256 ARG HA . 30969 1 80 . 1 . 1 9 9 ARG HB2 H 1 1.80 0.03 . . . . . . A 256 ARG HB2 . 30969 1 81 . 1 . 1 9 9 ARG HB3 H 1 2.04 0.03 . . . . . . A 256 ARG HB3 . 30969 1 82 . 1 . 1 9 9 ARG HG2 H 1 1.31 0.03 . . . . . . A 256 ARG HG2 . 30969 1 83 . 1 . 1 9 9 ARG HG3 H 1 1.58 0.03 . . . . . . A 256 ARG HG3 . 30969 1 84 . 1 . 1 9 9 ARG HD3 H 1 3.15 0.03 . . . . . . A 256 ARG HD3 . 30969 1 85 . 1 . 1 9 9 ARG C C 13 172.76 0.20 . . . . . . A 256 ARG C . 30969 1 86 . 1 . 1 9 9 ARG CA C 13 55.43 0.20 . . . . . . A 256 ARG CA . 30969 1 87 . 1 . 1 9 9 ARG CB C 13 33.16 0.20 . . . . . . A 256 ARG CB . 30969 1 88 . 1 . 1 9 9 ARG CG C 13 27.35 0.20 . . . . . . A 256 ARG CG . 30969 1 89 . 1 . 1 9 9 ARG CD C 13 43.37 0.20 . . . . . . A 256 ARG CD . 30969 1 90 . 1 . 1 9 9 ARG N N 15 118.01 0.30 . . . . . . A 256 ARG N . 30969 1 91 . 1 . 1 10 10 ILE H H 1 8.86 0.03 . . . . . . A 257 ILE H . 30969 1 92 . 1 . 1 10 10 ILE HA H 1 5.06 0.03 . . . . . . A 257 ILE HA . 30969 1 93 . 1 . 1 10 10 ILE HB H 1 1.70 0.03 . . . . . . A 257 ILE HB . 30969 1 94 . 1 . 1 10 10 ILE HG12 H 1 0.91 0.03 . . . . . . A 257 ILE HG12 . 30969 1 95 . 1 . 1 10 10 ILE HG13 H 1 1.40 0.03 . . . . . . A 257 ILE HG13 . 30969 1 96 . 1 . 1 10 10 ILE HG21 H 1 0.94 0.03 . . . . . . A 257 ILE HG21 . 30969 1 97 . 1 . 1 10 10 ILE HG22 H 1 0.94 0.03 . . . . . . A 257 ILE HG22 . 30969 1 98 . 1 . 1 10 10 ILE HG23 H 1 0.94 0.03 . . . . . . A 257 ILE HG23 . 30969 1 99 . 1 . 1 10 10 ILE HD11 H 1 0.54 0.03 . . . . . . A 257 ILE HD11 . 30969 1 100 . 1 . 1 10 10 ILE HD12 H 1 0.54 0.03 . . . . . . A 257 ILE HD12 . 30969 1 101 . 1 . 1 10 10 ILE HD13 H 1 0.54 0.03 . . . . . . A 257 ILE HD13 . 30969 1 102 . 1 . 1 10 10 ILE C C 13 176.33 0.20 . . . . . . A 257 ILE C . 30969 1 103 . 1 . 1 10 10 ILE CA C 13 60.02 0.20 . . . . . . A 257 ILE CA . 30969 1 104 . 1 . 1 10 10 ILE CB C 13 39.24 0.20 . . . . . . A 257 ILE CB . 30969 1 105 . 1 . 1 10 10 ILE CG1 C 13 29.06 0.20 . . . . . . A 257 ILE CG1 . 30969 1 106 . 1 . 1 10 10 ILE CG2 C 13 17.28 0.20 . . . . . . A 257 ILE CG2 . 30969 1 107 . 1 . 1 10 10 ILE CD1 C 13 13.74 0.20 . . . . . . A 257 ILE CD1 . 30969 1 108 . 1 . 1 10 10 ILE N N 15 122.52 0.30 . . . . . . A 257 ILE N . 30969 1 109 . 1 . 1 11 11 GLU H H 1 8.99 0.03 . . . . . . A 258 GLU H . 30969 1 110 . 1 . 1 11 11 GLU HA H 1 4.62 0.03 . . . . . . A 258 GLU HA . 30969 1 111 . 1 . 1 11 11 GLU HB2 H 1 2.08 0.03 . . . . . . A 258 GLU HB2 . 30969 1 112 . 1 . 1 11 11 GLU HB3 H 1 2.15 0.03 . . . . . . A 258 GLU HB3 . 30969 1 113 . 1 . 1 11 11 GLU HG2 H 1 2.18 0.03 . . . . . . A 258 GLU HG2 . 30969 1 114 . 1 . 1 11 11 GLU HG3 H 1 2.30 0.03 . . . . . . A 258 GLU HG3 . 30969 1 115 . 1 . 1 11 11 GLU C C 13 174.94 0.20 . . . . . . A 258 GLU C . 30969 1 116 . 1 . 1 11 11 GLU CA C 13 56.00 0.20 . . . . . . A 258 GLU CA . 30969 1 117 . 1 . 1 11 11 GLU CB C 13 34.10 0.20 . . . . . . A 258 GLU CB . 30969 1 118 . 1 . 1 11 11 GLU CG C 13 36.58 0.20 . . . . . . A 258 GLU CG . 30969 1 119 . 1 . 1 11 11 GLU N N 15 127.93 0.30 . . . . . . A 258 GLU N . 30969 1 120 . 1 . 1 12 12 ASP H H 1 9.37 0.03 . . . . . . A 259 ASP H . 30969 1 121 . 1 . 1 12 12 ASP HA H 1 4.28 0.03 . . . . . . A 259 ASP HA . 30969 1 122 . 1 . 1 12 12 ASP HB2 H 1 2.44 0.03 . . . . . . A 259 ASP HB2 . 30969 1 123 . 1 . 1 12 12 ASP HB3 H 1 2.88 0.03 . . . . . . A 259 ASP HB3 . 30969 1 124 . 1 . 1 12 12 ASP C C 13 175.93 0.20 . . . . . . A 259 ASP C . 30969 1 125 . 1 . 1 12 12 ASP CA C 13 55.30 0.20 . . . . . . A 259 ASP CA . 30969 1 126 . 1 . 1 12 12 ASP CB C 13 40.23 0.20 . . . . . . A 259 ASP CB . 30969 1 127 . 1 . 1 12 12 ASP N N 15 125.48 0.30 . . . . . . A 259 ASP N . 30969 1 128 . 1 . 1 13 13 GLY H H 1 8.65 0.03 . . . . . . A 260 GLY H . 30969 1 129 . 1 . 1 13 13 GLY HA2 H 1 4.04 0.03 . . . . . . A 260 GLY HA2 . 30969 1 130 . 1 . 1 13 13 GLY HA3 H 1 3.65 0.03 . . . . . . A 260 GLY HA3 . 30969 1 131 . 1 . 1 13 13 GLY C C 13 173.22 0.20 . . . . . . A 260 GLY C . 30969 1 132 . 1 . 1 13 13 GLY CA C 13 46.22 0.20 . . . . . . A 260 GLY CA . 30969 1 133 . 1 . 1 13 13 GLY N N 15 102.65 0.30 . . . . . . A 260 GLY N . 30969 1 134 . 1 . 1 14 14 LYS H H 1 8.07 0.03 . . . . . . A 261 LYS H . 30969 1 135 . 1 . 1 14 14 LYS HA H 1 4.83 0.03 . . . . . . A 261 LYS HA . 30969 1 136 . 1 . 1 14 14 LYS HB3 H 1 2.12 0.03 . . . . . . A 261 LYS HB3 . 30969 1 137 . 1 . 1 14 14 LYS HG2 H 1 1.45 0.03 . . . . . . A 261 LYS HG2 . 30969 1 138 . 1 . 1 14 14 LYS HG3 H 1 1.53 0.03 . . . . . . A 261 LYS HG3 . 30969 1 139 . 1 . 1 14 14 LYS HD2 H 1 1.23 0.03 . . . . . . A 261 LYS HD2 . 30969 1 140 . 1 . 1 14 14 LYS HD3 H 1 1.60 0.03 . . . . . . A 261 LYS HD3 . 30969 1 141 . 1 . 1 14 14 LYS HE2 H 1 2.56 0.03 . . . . . . A 261 LYS HE2 . 30969 1 142 . 1 . 1 14 14 LYS HE3 H 1 2.65 0.03 . . . . . . A 261 LYS HE3 . 30969 1 143 . 1 . 1 14 14 LYS C C 13 173.58 0.20 . . . . . . A 261 LYS C . 30969 1 144 . 1 . 1 14 14 LYS CA C 13 55.13 0.20 . . . . . . A 261 LYS CA . 30969 1 145 . 1 . 1 14 14 LYS CB C 13 36.76 0.20 . . . . . . A 261 LYS CB . 30969 1 146 . 1 . 1 14 14 LYS CG C 13 24.88 0.20 . . . . . . A 261 LYS CG . 30969 1 147 . 1 . 1 14 14 LYS CD C 13 29.36 0.20 . . . . . . A 261 LYS CD . 30969 1 148 . 1 . 1 14 14 LYS CE C 13 41.55 0.20 . . . . . . A 261 LYS CE . 30969 1 149 . 1 . 1 14 14 LYS N N 15 118.68 0.30 . . . . . . A 261 LYS N . 30969 1 150 . 1 . 1 15 15 LEU H H 1 8.54 0.03 . . . . . . A 262 LEU H . 30969 1 151 . 1 . 1 15 15 LEU HA H 1 4.98 0.03 . . . . . . A 262 LEU HA . 30969 1 152 . 1 . 1 15 15 LEU HB2 H 1 1.08 0.03 . . . . . . A 262 LEU HB2 . 30969 1 153 . 1 . 1 15 15 LEU HB3 H 1 1.84 0.03 . . . . . . A 262 LEU HB3 . 30969 1 154 . 1 . 1 15 15 LEU HG H 1 1.33 0.03 . . . . . . A 262 LEU HG . 30969 1 155 . 1 . 1 15 15 LEU HD11 H 1 0.66 0.03 . . . . . . A 262 LEU HD11 . 30969 1 156 . 1 . 1 15 15 LEU HD12 H 1 0.66 0.03 . . . . . . A 262 LEU HD12 . 30969 1 157 . 1 . 1 15 15 LEU HD13 H 1 0.66 0.03 . . . . . . A 262 LEU HD13 . 30969 1 158 . 1 . 1 15 15 LEU HD21 H 1 0.40 0.03 . . . . . . A 262 LEU HD21 . 30969 1 159 . 1 . 1 15 15 LEU HD22 H 1 0.40 0.03 . . . . . . A 262 LEU HD22 . 30969 1 160 . 1 . 1 15 15 LEU HD23 H 1 0.40 0.03 . . . . . . A 262 LEU HD23 . 30969 1 161 . 1 . 1 15 15 LEU C C 13 173.75 0.20 . . . . . . A 262 LEU C . 30969 1 162 . 1 . 1 15 15 LEU CA C 13 53.57 0.20 . . . . . . A 262 LEU CA . 30969 1 163 . 1 . 1 15 15 LEU CB C 13 45.30 0.20 . . . . . . A 262 LEU CB . 30969 1 164 . 1 . 1 15 15 LEU CG C 13 27.51 0.20 . . . . . . A 262 LEU CG . 30969 1 165 . 1 . 1 15 15 LEU CD1 C 13 23.13 0.20 . . . . . . A 262 LEU CD1 . 30969 1 166 . 1 . 1 15 15 LEU CD2 C 13 26.88 0.20 . . . . . . A 262 LEU CD2 . 30969 1 167 . 1 . 1 15 15 LEU N N 15 120.51 0.30 . . . . . . A 262 LEU N . 30969 1 168 . 1 . 1 16 16 TYR H H 1 9.56 0.03 . . . . . . A 263 TYR H . 30969 1 169 . 1 . 1 16 16 TYR HA H 1 4.53 0.03 . . . . . . A 263 TYR HA . 30969 1 170 . 1 . 1 16 16 TYR HB2 H 1 1.02 0.03 . . . . . . A 263 TYR HB2 . 30969 1 171 . 1 . 1 16 16 TYR HB3 H 1 2.30 0.03 . . . . . . A 263 TYR HB3 . 30969 1 172 . 1 . 1 16 16 TYR HD1 H 1 5.55 0.03 . . . . . . A 263 TYR HD1 . 30969 1 173 . 1 . 1 16 16 TYR HE1 H 1 6.29 0.03 . . . . . . A 263 TYR HE1 . 30969 1 174 . 1 . 1 16 16 TYR C C 13 174.31 0.20 . . . . . . A 263 TYR C . 30969 1 175 . 1 . 1 16 16 TYR CA C 13 56.26 0.20 . . . . . . A 263 TYR CA . 30969 1 176 . 1 . 1 16 16 TYR CB C 13 37.88 0.20 . . . . . . A 263 TYR CB . 30969 1 177 . 1 . 1 16 16 TYR CD1 C 13 132.71 0.20 . . . . . . A 263 TYR CD1 . 30969 1 178 . 1 . 1 16 16 TYR CE1 C 13 116.46 0.20 . . . . . . A 263 TYR CE1 . 30969 1 179 . 1 . 1 16 16 TYR N N 15 131.22 0.30 . . . . . . A 263 TYR N . 30969 1 180 . 1 . 1 17 17 TYR H H 1 8.97 0.03 . . . . . . A 264 TYR H . 30969 1 181 . 1 . 1 17 17 TYR HA H 1 5.05 0.03 . . . . . . A 264 TYR HA . 30969 1 182 . 1 . 1 17 17 TYR HB2 H 1 2.51 0.03 . . . . . . A 264 TYR HB2 . 30969 1 183 . 1 . 1 17 17 TYR HB3 H 1 2.69 0.03 . . . . . . A 264 TYR HB3 . 30969 1 184 . 1 . 1 17 17 TYR HD1 H 1 6.96 0.03 . . . . . . A 264 TYR HD1 . 30969 1 185 . 1 . 1 17 17 TYR HE1 H 1 6.81 0.03 . . . . . . A 264 TYR HE1 . 30969 1 186 . 1 . 1 17 17 TYR C C 13 174.69 0.20 . . . . . . A 264 TYR C . 30969 1 187 . 1 . 1 17 17 TYR CA C 13 56.26 0.20 . . . . . . A 264 TYR CA . 30969 1 188 . 1 . 1 17 17 TYR CB C 13 40.52 0.20 . . . . . . A 264 TYR CB . 30969 1 189 . 1 . 1 17 17 TYR CD1 C 13 133.79 0.20 . . . . . . A 264 TYR CD1 . 30969 1 190 . 1 . 1 17 17 TYR CE1 C 13 118.43 0.20 . . . . . . A 264 TYR CE1 . 30969 1 191 . 1 . 1 17 17 TYR N N 15 125.26 0.30 . . . . . . A 264 TYR N . 30969 1 192 . 1 . 1 18 18 ASP H H 1 8.64 0.03 . . . . . . A 265 ASP H . 30969 1 193 . 1 . 1 18 18 ASP HA H 1 4.02 0.03 . . . . . . A 265 ASP HA . 30969 1 194 . 1 . 1 18 18 ASP HB2 H 1 0.96 0.03 . . . . . . A 265 ASP HB2 . 30969 1 195 . 1 . 1 18 18 ASP HB3 H 1 2.21 0.03 . . . . . . A 265 ASP HB3 . 30969 1 196 . 1 . 1 18 18 ASP C C 13 173.60 0.20 . . . . . . A 265 ASP C . 30969 1 197 . 1 . 1 18 18 ASP CA C 13 55.00 0.20 . . . . . . A 265 ASP CA . 30969 1 198 . 1 . 1 18 18 ASP CB C 13 40.20 0.20 . . . . . . A 265 ASP CB . 30969 1 199 . 1 . 1 18 18 ASP N N 15 128.78 0.30 . . . . . . A 265 ASP N . 30969 1 200 . 1 . 1 19 19 LYS H H 1 6.45 0.03 . . . . . . A 266 LYS H . 30969 1 201 . 1 . 1 19 19 LYS HA H 1 3.67 0.03 . . . . . . A 266 LYS HA . 30969 1 202 . 1 . 1 19 19 LYS HB2 H 1 1.95 0.03 . . . . . . A 266 LYS HB2 . 30969 1 203 . 1 . 1 19 19 LYS HB3 H 1 2.16 0.03 . . . . . . A 266 LYS HB3 . 30969 1 204 . 1 . 1 19 19 LYS HG3 H 1 1.27 0.03 . . . . . . A 266 LYS HG3 . 30969 1 205 . 1 . 1 19 19 LYS HD2 H 1 1.57 0.03 . . . . . . A 266 LYS HD2 . 30969 1 206 . 1 . 1 19 19 LYS HD3 H 1 1.68 0.03 . . . . . . A 266 LYS HD3 . 30969 1 207 . 1 . 1 19 19 LYS HE3 H 1 2.96 0.03 . . . . . . A 266 LYS HE3 . 30969 1 208 . 1 . 1 19 19 LYS C C 13 175.27 0.20 . . . . . . A 266 LYS C . 30969 1 209 . 1 . 1 19 19 LYS CA C 13 58.22 0.20 . . . . . . A 266 LYS CA . 30969 1 210 . 1 . 1 19 19 LYS CB C 13 30.21 0.20 . . . . . . A 266 LYS CB . 30969 1 211 . 1 . 1 19 19 LYS CG C 13 25.50 0.20 . . . . . . A 266 LYS CG . 30969 1 212 . 1 . 1 19 19 LYS CD C 13 29.04 0.20 . . . . . . A 266 LYS CD . 30969 1 213 . 1 . 1 19 19 LYS CE C 13 42.27 0.20 . . . . . . A 266 LYS CE . 30969 1 214 . 1 . 1 19 19 LYS N N 15 103.62 0.30 . . . . . . A 266 LYS N . 30969 1 215 . 1 . 1 20 20 ARG H H 1 7.28 0.03 . . . . . . A 267 ARG H . 30969 1 216 . 1 . 1 20 20 ARG HA H 1 4.61 0.03 . . . . . . A 267 ARG HA . 30969 1 217 . 1 . 1 20 20 ARG HB2 H 1 1.51 0.03 . . . . . . A 267 ARG HB2 . 30969 1 218 . 1 . 1 20 20 ARG HB3 H 1 1.67 0.03 . . . . . . A 267 ARG HB3 . 30969 1 219 . 1 . 1 20 20 ARG HG2 H 1 1.48 0.03 . . . . . . A 267 ARG HG2 . 30969 1 220 . 1 . 1 20 20 ARG HG3 H 1 1.56 0.03 . . . . . . A 267 ARG HG3 . 30969 1 221 . 1 . 1 20 20 ARG HD2 H 1 3.10 0.03 . . . . . . A 267 ARG HD2 . 30969 1 222 . 1 . 1 20 20 ARG HD3 H 1 3.19 0.03 . . . . . . A 267 ARG HD3 . 30969 1 223 . 1 . 1 20 20 ARG C C 13 172.83 0.20 . . . . . . A 267 ARG C . 30969 1 224 . 1 . 1 20 20 ARG CA C 13 54.48 0.20 . . . . . . A 267 ARG CA . 30969 1 225 . 1 . 1 20 20 ARG CB C 13 34.17 0.20 . . . . . . A 267 ARG CB . 30969 1 226 . 1 . 1 20 20 ARG CG C 13 28.17 0.20 . . . . . . A 267 ARG CG . 30969 1 227 . 1 . 1 20 20 ARG CD C 13 43.34 0.20 . . . . . . A 267 ARG CD . 30969 1 228 . 1 . 1 20 20 ARG N N 15 119.06 0.30 . . . . . . A 267 ARG N . 30969 1 229 . 1 . 1 21 21 TRP H H 1 8.41 0.03 . . . . . . A 268 TRP H . 30969 1 230 . 1 . 1 21 21 TRP HA H 1 5.44 0.03 . . . . . . A 268 TRP HA . 30969 1 231 . 1 . 1 21 21 TRP HB2 H 1 2.93 0.03 . . . . . . A 268 TRP HB2 . 30969 1 232 . 1 . 1 21 21 TRP HB3 H 1 3.04 0.03 . . . . . . A 268 TRP HB3 . 30969 1 233 . 1 . 1 21 21 TRP HD1 H 1 7.38 0.03 . . . . . . A 268 TRP HD1 . 30969 1 234 . 1 . 1 21 21 TRP HE1 H 1 10.28 0.03 . . . . . . A 268 TRP HE1 . 30969 1 235 . 1 . 1 21 21 TRP HE3 H 1 7.46 0.03 . . . . . . A 268 TRP HE3 . 30969 1 236 . 1 . 1 21 21 TRP HZ2 H 1 7.21 0.03 . . . . . . A 268 TRP HZ2 . 30969 1 237 . 1 . 1 21 21 TRP HZ3 H 1 7.08 0.03 . . . . . . A 268 TRP HZ3 . 30969 1 238 . 1 . 1 21 21 TRP HH2 H 1 7.03 0.03 . . . . . . A 268 TRP HH2 . 30969 1 239 . 1 . 1 21 21 TRP C C 13 176.81 0.20 . . . . . . A 268 TRP C . 30969 1 240 . 1 . 1 21 21 TRP CA C 13 56.53 0.20 . . . . . . A 268 TRP CA . 30969 1 241 . 1 . 1 21 21 TRP CB C 13 31.40 0.20 . . . . . . A 268 TRP CB . 30969 1 242 . 1 . 1 21 21 TRP CD1 C 13 127.36 0.20 . . . . . . A 268 TRP CD1 . 30969 1 243 . 1 . 1 21 21 TRP CE3 C 13 120.27 0.20 . . . . . . A 268 TRP CE3 . 30969 1 244 . 1 . 1 21 21 TRP CZ2 C 13 115.16 0.20 . . . . . . A 268 TRP CZ2 . 30969 1 245 . 1 . 1 21 21 TRP CZ3 C 13 122.22 0.20 . . . . . . A 268 TRP CZ3 . 30969 1 246 . 1 . 1 21 21 TRP CH2 C 13 124.17 0.20 . . . . . . A 268 TRP CH2 . 30969 1 247 . 1 . 1 21 21 TRP N N 15 118.86 0.30 . . . . . . A 268 TRP N . 30969 1 248 . 1 . 1 21 21 TRP NE1 N 15 129.97 0.30 . . . . . . A 268 TRP NE1 . 30969 1 249 . 1 . 1 22 22 TYR H H 1 10.36 0.03 . . . . . . A 269 TYR H . 30969 1 250 . 1 . 1 22 22 TYR HA H 1 5.30 0.03 . . . . . . A 269 TYR HA . 30969 1 251 . 1 . 1 22 22 TYR HB3 H 1 2.66 0.03 . . . . . . A 269 TYR HB3 . 30969 1 252 . 1 . 1 22 22 TYR HD1 H 1 6.88 0.03 . . . . . . A 269 TYR HD1 . 30969 1 253 . 1 . 1 22 22 TYR HE1 H 1 6.72 0.03 . . . . . . A 269 TYR HE1 . 30969 1 254 . 1 . 1 22 22 TYR C C 13 175.25 0.20 . . . . . . A 269 TYR C . 30969 1 255 . 1 . 1 22 22 TYR CA C 13 57.20 0.20 . . . . . . A 269 TYR CA . 30969 1 256 . 1 . 1 22 22 TYR CB C 13 41.43 0.20 . . . . . . A 269 TYR CB . 30969 1 257 . 1 . 1 22 22 TYR CD1 C 13 133.66 0.20 . . . . . . A 269 TYR CD1 . 30969 1 258 . 1 . 1 22 22 TYR CE1 C 13 117.67 0.20 . . . . . . A 269 TYR CE1 . 30969 1 259 . 1 . 1 22 22 TYR N N 15 123.39 0.30 . . . . . . A 269 TYR N . 30969 1 260 . 1 . 1 23 23 HIS H H 1 8.37 0.03 . . . . . . A 270 HIS H . 30969 1 261 . 1 . 1 23 23 HIS HA H 1 5.35 0.03 . . . . . . A 270 HIS HA . 30969 1 262 . 1 . 1 23 23 HIS HB3 H 1 3.19 0.03 . . . . . . A 270 HIS HB3 . 30969 1 263 . 1 . 1 23 23 HIS HD2 H 1 7.19 0.03 . . . . . . A 270 HIS HD2 . 30969 1 264 . 1 . 1 23 23 HIS HE1 H 1 8.18 0.03 . . . . . . A 270 HIS HE1 . 30969 1 265 . 1 . 1 23 23 HIS C C 13 174.17 0.20 . . . . . . A 270 HIS C . 30969 1 266 . 1 . 1 23 23 HIS CA C 13 53.42 0.20 . . . . . . A 270 HIS CA . 30969 1 267 . 1 . 1 23 23 HIS CB C 13 33.69 0.20 . . . . . . A 270 HIS CB . 30969 1 268 . 1 . 1 23 23 HIS CD2 C 13 121.57 0.20 . . . . . . A 270 HIS CD2 . 30969 1 269 . 1 . 1 23 23 HIS CE1 C 13 136.88 0.20 . . . . . . A 270 HIS CE1 . 30969 1 270 . 1 . 1 23 23 HIS N N 15 116.22 0.30 . . . . . . A 270 HIS N . 30969 1 271 . 1 . 1 24 24 LYS H H 1 9.39 0.03 . . . . . . A 271 LYS H . 30969 1 272 . 1 . 1 24 24 LYS HA H 1 3.65 0.03 . . . . . . A 271 LYS HA . 30969 1 273 . 1 . 1 24 24 LYS HB2 H 1 1.80 0.03 . . . . . . A 271 LYS HB2 . 30969 1 274 . 1 . 1 24 24 LYS HB3 H 1 1.89 0.03 . . . . . . A 271 LYS HB3 . 30969 1 275 . 1 . 1 24 24 LYS HG2 H 1 1.36 0.03 . . . . . . A 271 LYS HG2 . 30969 1 276 . 1 . 1 24 24 LYS HG3 H 1 1.50 0.03 . . . . . . A 271 LYS HG3 . 30969 1 277 . 1 . 1 24 24 LYS HD2 H 1 1.77 0.03 . . . . . . A 271 LYS HD2 . 30969 1 278 . 1 . 1 24 24 LYS HD3 H 1 1.86 0.03 . . . . . . A 271 LYS HD3 . 30969 1 279 . 1 . 1 24 24 LYS HE3 H 1 3.07 0.03 . . . . . . A 271 LYS HE3 . 30969 1 280 . 1 . 1 24 24 LYS C C 13 176.97 0.20 . . . . . . A 271 LYS C . 30969 1 281 . 1 . 1 24 24 LYS CA C 13 59.29 0.20 . . . . . . A 271 LYS CA . 30969 1 282 . 1 . 1 24 24 LYS CB C 13 32.72 0.20 . . . . . . A 271 LYS CB . 30969 1 283 . 1 . 1 24 24 LYS CG C 13 25.21 0.20 . . . . . . A 271 LYS CG . 30969 1 284 . 1 . 1 24 24 LYS CD C 13 29.93 0.20 . . . . . . A 271 LYS CD . 30969 1 285 . 1 . 1 24 24 LYS CE C 13 42.06 0.20 . . . . . . A 271 LYS CE . 30969 1 286 . 1 . 1 24 24 LYS N N 15 120.46 0.30 . . . . . . A 271 LYS N . 30969 1 287 . 1 . 1 25 25 SER H H 1 9.22 0.03 . . . . . . A 272 SER H . 30969 1 288 . 1 . 1 25 25 SER HA H 1 3.98 0.03 . . . . . . A 272 SER HA . 30969 1 289 . 1 . 1 25 25 SER HB2 H 1 4.07 0.03 . . . . . . A 272 SER HB2 . 30969 1 290 . 1 . 1 25 25 SER HB3 H 1 4.36 0.03 . . . . . . A 272 SER HB3 . 30969 1 291 . 1 . 1 25 25 SER C C 13 173.07 0.20 . . . . . . A 272 SER C . 30969 1 292 . 1 . 1 25 25 SER CA C 13 61.47 0.20 . . . . . . A 272 SER CA . 30969 1 293 . 1 . 1 25 25 SER CB C 13 62.10 0.20 . . . . . . A 272 SER CB . 30969 1 294 . 1 . 1 25 25 SER N N 15 118.79 0.30 . . . . . . A 272 SER N . 30969 1 295 . 1 . 1 26 26 GLN H H 1 7.99 0.03 . . . . . . A 273 GLN H . 30969 1 296 . 1 . 1 26 26 GLN HA H 1 4.11 0.03 . . . . . . A 273 GLN HA . 30969 1 297 . 1 . 1 26 26 GLN HB2 H 1 1.75 0.03 . . . . . . A 273 GLN HB2 . 30969 1 298 . 1 . 1 26 26 GLN HB3 H 1 1.98 0.03 . . . . . . A 273 GLN HB3 . 30969 1 299 . 1 . 1 26 26 GLN HG2 H 1 2.44 0.03 . . . . . . A 273 GLN HG2 . 30969 1 300 . 1 . 1 26 26 GLN HG3 H 1 2.49 0.03 . . . . . . A 273 GLN HG3 . 30969 1 301 . 1 . 1 26 26 GLN HE21 H 1 7.83 0.03 . . . . . . A 273 GLN HE21 . 30969 1 302 . 1 . 1 26 26 GLN HE22 H 1 6.73 0.03 . . . . . . A 273 GLN HE22 . 30969 1 303 . 1 . 1 26 26 GLN C C 13 175.40 0.20 . . . . . . A 273 GLN C . 30969 1 304 . 1 . 1 26 26 GLN CA C 13 57.09 0.20 . . . . . . A 273 GLN CA . 30969 1 305 . 1 . 1 26 26 GLN CB C 13 30.15 0.20 . . . . . . A 273 GLN CB . 30969 1 306 . 1 . 1 26 26 GLN CG C 13 33.63 0.20 . . . . . . A 273 GLN CG . 30969 1 307 . 1 . 1 26 26 GLN N N 15 122.11 0.30 . . . . . . A 273 GLN N . 30969 1 308 . 1 . 1 26 26 GLN NE2 N 15 108.27 0.30 . . . . . . A 273 GLN NE2 . 30969 1 309 . 1 . 1 27 27 ALA H H 1 8.79 0.03 . . . . . . A 274 ALA H . 30969 1 310 . 1 . 1 27 27 ALA HA H 1 4.55 0.03 . . . . . . A 274 ALA HA . 30969 1 311 . 1 . 1 27 27 ALA HB1 H 1 1.31 0.03 . . . . . . A 274 ALA HB1 . 30969 1 312 . 1 . 1 27 27 ALA HB2 H 1 1.31 0.03 . . . . . . A 274 ALA HB2 . 30969 1 313 . 1 . 1 27 27 ALA HB3 H 1 1.31 0.03 . . . . . . A 274 ALA HB3 . 30969 1 314 . 1 . 1 27 27 ALA C C 13 176.76 0.20 . . . . . . A 274 ALA C . 30969 1 315 . 1 . 1 27 27 ALA CA C 13 52.73 0.20 . . . . . . A 274 ALA CA . 30969 1 316 . 1 . 1 27 27 ALA CB C 13 18.98 0.20 . . . . . . A 274 ALA CB . 30969 1 317 . 1 . 1 27 27 ALA N N 15 128.38 0.30 . . . . . . A 274 ALA N . 30969 1 318 . 1 . 1 28 28 ILE H H 1 8.33 0.03 . . . . . . A 275 ILE H . 30969 1 319 . 1 . 1 28 28 ILE HA H 1 5.12 0.03 . . . . . . A 275 ILE HA . 30969 1 320 . 1 . 1 28 28 ILE HB H 1 2.01 0.03 . . . . . . A 275 ILE HB . 30969 1 321 . 1 . 1 28 28 ILE HG12 H 1 0.62 0.03 . . . . . . A 275 ILE HG12 . 30969 1 322 . 1 . 1 28 28 ILE HG13 H 1 1.02 0.03 . . . . . . A 275 ILE HG13 . 30969 1 323 . 1 . 1 28 28 ILE HG21 H 1 0.78 0.03 . . . . . . A 275 ILE HG21 . 30969 1 324 . 1 . 1 28 28 ILE HG22 H 1 0.78 0.03 . . . . . . A 275 ILE HG22 . 30969 1 325 . 1 . 1 28 28 ILE HG23 H 1 0.78 0.03 . . . . . . A 275 ILE HG23 . 30969 1 326 . 1 . 1 28 28 ILE HD11 H 1 0.41 0.03 . . . . . . A 275 ILE HD11 . 30969 1 327 . 1 . 1 28 28 ILE HD12 H 1 0.41 0.03 . . . . . . A 275 ILE HD12 . 30969 1 328 . 1 . 1 28 28 ILE HD13 H 1 0.41 0.03 . . . . . . A 275 ILE HD13 . 30969 1 329 . 1 . 1 28 28 ILE C C 13 177.12 0.20 . . . . . . A 275 ILE C . 30969 1 330 . 1 . 1 28 28 ILE CA C 13 60.68 0.20 . . . . . . A 275 ILE CA . 30969 1 331 . 1 . 1 28 28 ILE CB C 13 44.53 0.20 . . . . . . A 275 ILE CB . 30969 1 332 . 1 . 1 28 28 ILE CG1 C 13 26.61 0.20 . . . . . . A 275 ILE CG1 . 30969 1 333 . 1 . 1 28 28 ILE CG2 C 13 19.11 0.20 . . . . . . A 275 ILE CG2 . 30969 1 334 . 1 . 1 28 28 ILE CD1 C 13 14.52 0.20 . . . . . . A 275 ILE CD1 . 30969 1 335 . 1 . 1 28 28 ILE N N 15 114.60 0.30 . . . . . . A 275 ILE N . 30969 1 336 . 1 . 1 29 29 TYR H H 1 9.13 0.03 . . . . . . A 276 TYR H . 30969 1 337 . 1 . 1 29 29 TYR HA H 1 5.40 0.03 . . . . . . A 276 TYR HA . 30969 1 338 . 1 . 1 29 29 TYR HB2 H 1 2.51 0.03 . . . . . . A 276 TYR HB2 . 30969 1 339 . 1 . 1 29 29 TYR HB3 H 1 2.69 0.03 . . . . . . A 276 TYR HB3 . 30969 1 340 . 1 . 1 29 29 TYR HD1 H 1 6.88 0.03 . . . . . . A 276 TYR HD1 . 30969 1 341 . 1 . 1 29 29 TYR HE1 H 1 6.93 0.03 . . . . . . A 276 TYR HE1 . 30969 1 342 . 1 . 1 29 29 TYR C C 13 174.37 0.20 . . . . . . A 276 TYR C . 30969 1 343 . 1 . 1 29 29 TYR CA C 13 58.06 0.20 . . . . . . A 276 TYR CA . 30969 1 344 . 1 . 1 29 29 TYR CB C 13 41.97 0.20 . . . . . . A 276 TYR CB . 30969 1 345 . 1 . 1 29 29 TYR CD1 C 13 133.06 0.20 . . . . . . A 276 TYR CD1 . 30969 1 346 . 1 . 1 29 29 TYR CE1 C 13 118.56 0.20 . . . . . . A 276 TYR CE1 . 30969 1 347 . 1 . 1 29 29 TYR N N 15 118.99 0.30 . . . . . . A 276 TYR N . 30969 1 348 . 1 . 1 30 30 LEU H H 1 8.90 0.03 . . . . . . A 277 LEU H . 30969 1 349 . 1 . 1 30 30 LEU HA H 1 4.95 0.03 . . . . . . A 277 LEU HA . 30969 1 350 . 1 . 1 30 30 LEU HB2 H 1 1.06 0.03 . . . . . . A 277 LEU HB2 . 30969 1 351 . 1 . 1 30 30 LEU HB3 H 1 1.77 0.03 . . . . . . A 277 LEU HB3 . 30969 1 352 . 1 . 1 30 30 LEU HG H 1 1.34 0.03 . . . . . . A 277 LEU HG . 30969 1 353 . 1 . 1 30 30 LEU HD11 H 1 0.48 0.03 . . . . . . A 277 LEU HD11 . 30969 1 354 . 1 . 1 30 30 LEU HD12 H 1 0.48 0.03 . . . . . . A 277 LEU HD12 . 30969 1 355 . 1 . 1 30 30 LEU HD13 H 1 0.48 0.03 . . . . . . A 277 LEU HD13 . 30969 1 356 . 1 . 1 30 30 LEU HD21 H 1 0.48 0.03 . . . . . . A 277 LEU HD21 . 30969 1 357 . 1 . 1 30 30 LEU HD22 H 1 0.48 0.03 . . . . . . A 277 LEU HD22 . 30969 1 358 . 1 . 1 30 30 LEU HD23 H 1 0.48 0.03 . . . . . . A 277 LEU HD23 . 30969 1 359 . 1 . 1 30 30 LEU C C 13 175.42 0.20 . . . . . . A 277 LEU C . 30969 1 360 . 1 . 1 30 30 LEU CA C 13 53.50 0.20 . . . . . . A 277 LEU CA . 30969 1 361 . 1 . 1 30 30 LEU CB C 13 46.87 0.20 . . . . . . A 277 LEU CB . 30969 1 362 . 1 . 1 30 30 LEU CG C 13 27.54 0.20 . . . . . . A 277 LEU CG . 30969 1 363 . 1 . 1 30 30 LEU CD1 C 13 26.31 0.20 . . . . . . A 277 LEU CD1 . 30969 1 364 . 1 . 1 30 30 LEU CD2 C 13 25.10 0.20 . . . . . . A 277 LEU CD2 . 30969 1 365 . 1 . 1 30 30 LEU N N 15 121.76 0.30 . . . . . . A 277 LEU N . 30969 1 366 . 1 . 1 31 31 GLU H H 1 9.28 0.03 . . . . . . A 278 GLU H . 30969 1 367 . 1 . 1 31 31 GLU HA H 1 5.18 0.03 . . . . . . A 278 GLU HA . 30969 1 368 . 1 . 1 31 31 GLU HB2 H 1 1.79 0.03 . . . . . . A 278 GLU HB2 . 30969 1 369 . 1 . 1 31 31 GLU HB3 H 1 1.94 0.03 . . . . . . A 278 GLU HB3 . 30969 1 370 . 1 . 1 31 31 GLU HG3 H 1 2.04 0.03 . . . . . . A 278 GLU HG3 . 30969 1 371 . 1 . 1 31 31 GLU C C 13 175.40 0.20 . . . . . . A 278 GLU C . 30969 1 372 . 1 . 1 31 31 GLU CA C 13 54.82 0.20 . . . . . . A 278 GLU CA . 30969 1 373 . 1 . 1 31 31 GLU CB C 13 32.78 0.20 . . . . . . A 278 GLU CB . 30969 1 374 . 1 . 1 31 31 GLU CG C 13 36.60 0.20 . . . . . . A 278 GLU CG . 30969 1 375 . 1 . 1 31 31 GLU N N 15 126.59 0.30 . . . . . . A 278 GLU N . 30969 1 376 . 1 . 1 32 32 SER H H 1 8.55 0.03 . . . . . . A 279 SER H . 30969 1 377 . 1 . 1 32 32 SER HA H 1 4.71 0.03 . . . . . . A 279 SER HA . 30969 1 378 . 1 . 1 32 32 SER HB2 H 1 3.79 0.03 . . . . . . A 279 SER HB2 . 30969 1 379 . 1 . 1 32 32 SER HB3 H 1 3.91 0.03 . . . . . . A 279 SER HB3 . 30969 1 380 . 1 . 1 32 32 SER C C 13 175.02 0.20 . . . . . . A 279 SER C . 30969 1 381 . 1 . 1 32 32 SER CA C 13 56.96 0.20 . . . . . . A 279 SER CA . 30969 1 382 . 1 . 1 32 32 SER CB C 13 66.01 0.20 . . . . . . A 279 SER CB . 30969 1 383 . 1 . 1 32 32 SER N N 15 117.23 0.30 . . . . . . A 279 SER N . 30969 1 384 . 1 . 1 33 33 LYS H H 1 8.42 0.03 . . . . . . A 280 LYS H . 30969 1 385 . 1 . 1 33 33 LYS HA H 1 4.05 0.03 . . . . . . A 280 LYS HA . 30969 1 386 . 1 . 1 33 33 LYS HB3 H 1 1.77 0.03 . . . . . . A 280 LYS HB3 . 30969 1 387 . 1 . 1 33 33 LYS HG3 H 1 1.38 0.03 . . . . . . A 280 LYS HG3 . 30969 1 388 . 1 . 1 33 33 LYS HD3 H 1 1.61 0.03 . . . . . . A 280 LYS HD3 . 30969 1 389 . 1 . 1 33 33 LYS HE3 H 1 2.93 0.03 . . . . . . A 280 LYS HE3 . 30969 1 390 . 1 . 1 33 33 LYS C C 13 176.47 0.20 . . . . . . A 280 LYS C . 30969 1 391 . 1 . 1 33 33 LYS CA C 13 58.40 0.20 . . . . . . A 280 LYS CA . 30969 1 392 . 1 . 1 33 33 LYS CB C 13 32.24 0.20 . . . . . . A 280 LYS CB . 30969 1 393 . 1 . 1 33 33 LYS CG C 13 24.58 0.20 . . . . . . A 280 LYS CG . 30969 1 394 . 1 . 1 33 33 LYS CD C 13 29.17 0.20 . . . . . . A 280 LYS CD . 30969 1 395 . 1 . 1 33 33 LYS CE C 13 42.00 0.20 . . . . . . A 280 LYS CE . 30969 1 396 . 1 . 1 33 33 LYS N N 15 120.15 0.30 . . . . . . A 280 LYS N . 30969 1 397 . 1 . 1 34 34 ASP H H 1 8.15 0.03 . . . . . . A 281 ASP H . 30969 1 398 . 1 . 1 34 34 ASP HA H 1 4.48 0.03 . . . . . . A 281 ASP HA . 30969 1 399 . 1 . 1 34 34 ASP HB3 H 1 2.67 0.03 . . . . . . A 281 ASP HB3 . 30969 1 400 . 1 . 1 34 34 ASP C C 13 175.46 0.20 . . . . . . A 281 ASP C . 30969 1 401 . 1 . 1 34 34 ASP CA C 13 54.57 0.20 . . . . . . A 281 ASP CA . 30969 1 402 . 1 . 1 34 34 ASP CB C 13 40.45 0.20 . . . . . . A 281 ASP CB . 30969 1 403 . 1 . 1 34 34 ASP N N 15 116.31 0.30 . . . . . . A 281 ASP N . 30969 1 404 . 1 . 1 35 35 ASN H H 1 7.90 0.03 . . . . . . A 282 ASN H . 30969 1 405 . 1 . 1 35 35 ASN HA H 1 4.57 0.03 . . . . . . A 282 ASN HA . 30969 1 406 . 1 . 1 35 35 ASN HB2 H 1 2.73 0.03 . . . . . . A 282 ASN HB2 . 30969 1 407 . 1 . 1 35 35 ASN HB3 H 1 2.81 0.03 . . . . . . A 282 ASN HB3 . 30969 1 408 . 1 . 1 35 35 ASN HD21 H 1 7.50 0.03 . . . . . . A 282 ASN HD21 . 30969 1 409 . 1 . 1 35 35 ASN HD22 H 1 6.81 0.03 . . . . . . A 282 ASN HD22 . 30969 1 410 . 1 . 1 35 35 ASN C C 13 174.38 0.20 . . . . . . A 282 ASN C . 30969 1 411 . 1 . 1 35 35 ASN CA C 13 54.07 0.20 . . . . . . A 282 ASN CA . 30969 1 412 . 1 . 1 35 35 ASN CB C 13 39.26 0.20 . . . . . . A 282 ASN CB . 30969 1 413 . 1 . 1 35 35 ASN N N 15 114.34 0.30 . . . . . . A 282 ASN N . 30969 1 414 . 1 . 1 35 35 ASN ND2 N 15 112.60 0.30 . . . . . . A 282 ASN ND2 . 30969 1 415 . 1 . 1 36 36 GLN H H 1 7.97 0.03 . . . . . . A 283 GLN H . 30969 1 416 . 1 . 1 36 36 GLN HA H 1 4.34 0.03 . . . . . . A 283 GLN HA . 30969 1 417 . 1 . 1 36 36 GLN HB3 H 1 1.97 0.03 . . . . . . A 283 GLN HB3 . 30969 1 418 . 1 . 1 36 36 GLN HG2 H 1 2.30 0.03 . . . . . . A 283 GLN HG2 . 30969 1 419 . 1 . 1 36 36 GLN HG3 H 1 2.22 0.03 . . . . . . A 283 GLN HG3 . 30969 1 420 . 1 . 1 36 36 GLN HE21 H 1 7.58 0.03 . . . . . . A 283 GLN HE21 . 30969 1 421 . 1 . 1 36 36 GLN HE22 H 1 6.84 0.03 . . . . . . A 283 GLN HE22 . 30969 1 422 . 1 . 1 36 36 GLN C C 13 175.43 0.20 . . . . . . A 283 GLN C . 30969 1 423 . 1 . 1 36 36 GLN CA C 13 56.36 0.20 . . . . . . A 283 GLN CA . 30969 1 424 . 1 . 1 36 36 GLN CB C 13 29.84 0.20 . . . . . . A 283 GLN CB . 30969 1 425 . 1 . 1 36 36 GLN CG C 13 34.35 0.20 . . . . . . A 283 GLN CG . 30969 1 426 . 1 . 1 36 36 GLN N N 15 119.00 0.30 . . . . . . A 283 GLN N . 30969 1 427 . 1 . 1 36 36 GLN NE2 N 15 112.59 0.30 . . . . . . A 283 GLN NE2 . 30969 1 428 . 1 . 1 37 37 LYS H H 1 8.64 0.03 . . . . . . A 284 LYS H . 30969 1 429 . 1 . 1 37 37 LYS HA H 1 4.44 0.03 . . . . . . A 284 LYS HA . 30969 1 430 . 1 . 1 37 37 LYS HB2 H 1 1.49 0.03 . . . . . . A 284 LYS HB2 . 30969 1 431 . 1 . 1 37 37 LYS HB3 H 1 1.58 0.03 . . . . . . A 284 LYS HB3 . 30969 1 432 . 1 . 1 37 37 LYS HG3 H 1 1.02 0.03 . . . . . . A 284 LYS HG3 . 30969 1 433 . 1 . 1 37 37 LYS HD2 H 1 1.09 0.03 . . . . . . A 284 LYS HD2 . 30969 1 434 . 1 . 1 37 37 LYS HD3 H 1 1.19 0.03 . . . . . . A 284 LYS HD3 . 30969 1 435 . 1 . 1 37 37 LYS HE3 H 1 2.35 0.03 . . . . . . A 284 LYS HE3 . 30969 1 436 . 1 . 1 37 37 LYS C C 13 174.85 0.20 . . . . . . A 284 LYS C . 30969 1 437 . 1 . 1 37 37 LYS CA C 13 56.49 0.20 . . . . . . A 284 LYS CA . 30969 1 438 . 1 . 1 37 37 LYS CB C 13 33.74 0.20 . . . . . . A 284 LYS CB . 30969 1 439 . 1 . 1 37 37 LYS CG C 13 25.03 0.20 . . . . . . A 284 LYS CG . 30969 1 440 . 1 . 1 37 37 LYS CD C 13 29.43 0.20 . . . . . . A 284 LYS CD . 30969 1 441 . 1 . 1 37 37 LYS CE C 13 41.38 0.20 . . . . . . A 284 LYS CE . 30969 1 442 . 1 . 1 37 37 LYS N N 15 123.58 0.30 . . . . . . A 284 LYS N . 30969 1 443 . 1 . 1 38 38 LEU H H 1 8.80 0.03 . . . . . . A 285 LEU H . 30969 1 444 . 1 . 1 38 38 LEU HA H 1 4.79 0.03 . . . . . . A 285 LEU HA . 30969 1 445 . 1 . 1 38 38 LEU HB3 H 1 1.62 0.03 . . . . . . A 285 LEU HB3 . 30969 1 446 . 1 . 1 38 38 LEU HG H 1 1.56 0.03 . . . . . . A 285 LEU HG . 30969 1 447 . 1 . 1 38 38 LEU HD11 H 1 0.84 0.03 . . . . . . A 285 LEU HD11 . 30969 1 448 . 1 . 1 38 38 LEU HD12 H 1 0.84 0.03 . . . . . . A 285 LEU HD12 . 30969 1 449 . 1 . 1 38 38 LEU HD13 H 1 0.84 0.03 . . . . . . A 285 LEU HD13 . 30969 1 450 . 1 . 1 38 38 LEU HD21 H 1 0.82 0.03 . . . . . . A 285 LEU HD21 . 30969 1 451 . 1 . 1 38 38 LEU HD22 H 1 0.82 0.03 . . . . . . A 285 LEU HD22 . 30969 1 452 . 1 . 1 38 38 LEU HD23 H 1 0.82 0.03 . . . . . . A 285 LEU HD23 . 30969 1 453 . 1 . 1 38 38 LEU C C 13 177.25 0.20 . . . . . . A 285 LEU C . 30969 1 454 . 1 . 1 38 38 LEU CA C 13 54.05 0.20 . . . . . . A 285 LEU CA . 30969 1 455 . 1 . 1 38 38 LEU CB C 13 44.90 0.20 . . . . . . A 285 LEU CB . 30969 1 456 . 1 . 1 38 38 LEU CG C 13 27.10 0.20 . . . . . . A 285 LEU CG . 30969 1 457 . 1 . 1 38 38 LEU CD1 C 13 25.19 0.20 . . . . . . A 285 LEU CD1 . 30969 1 458 . 1 . 1 38 38 LEU CD2 C 13 24.76 0.20 . . . . . . A 285 LEU CD2 . 30969 1 459 . 1 . 1 38 38 LEU N N 15 124.17 0.30 . . . . . . A 285 LEU N . 30969 1 460 . 1 . 1 39 39 SER H H 1 9.15 0.03 . . . . . . A 286 SER H . 30969 1 461 . 1 . 1 39 39 SER HA H 1 4.50 0.03 . . . . . . A 286 SER HA . 30969 1 462 . 1 . 1 39 39 SER HB2 H 1 3.81 0.03 . . . . . . A 286 SER HB2 . 30969 1 463 . 1 . 1 39 39 SER HB3 H 1 3.88 0.03 . . . . . . A 286 SER HB3 . 30969 1 464 . 1 . 1 39 39 SER C C 13 174.98 0.20 . . . . . . A 286 SER C . 30969 1 465 . 1 . 1 39 39 SER CA C 13 58.76 0.20 . . . . . . A 286 SER CA . 30969 1 466 . 1 . 1 39 39 SER CB C 13 62.92 0.20 . . . . . . A 286 SER CB . 30969 1 467 . 1 . 1 39 39 SER N N 15 121.49 0.30 . . . . . . A 286 SER N . 30969 1 468 . 1 . 1 40 40 CYS H H 1 8.52 0.03 . . . . . . A 287 CYS H . 30969 1 469 . 1 . 1 40 40 CYS HA H 1 5.64 0.03 . . . . . . A 287 CYS HA . 30969 1 470 . 1 . 1 40 40 CYS HB2 H 1 2.36 0.03 . . . . . . A 287 CYS HB2 . 30969 1 471 . 1 . 1 40 40 CYS HB3 H 1 2.78 0.03 . . . . . . A 287 CYS HB3 . 30969 1 472 . 1 . 1 40 40 CYS HG H 1 6.56 0.03 . . . . . . A 287 CYS HG . 30969 1 473 . 1 . 1 40 40 CYS C C 13 173.70 0.20 . . . . . . A 287 CYS C . 30969 1 474 . 1 . 1 40 40 CYS CA C 13 57.40 0.20 . . . . . . A 287 CYS CA . 30969 1 475 . 1 . 1 40 40 CYS CB C 13 33.19 0.20 . . . . . . A 287 CYS CB . 30969 1 476 . 1 . 1 40 40 CYS N N 15 122.49 0.30 . . . . . . A 287 CYS N . 30969 1 477 . 1 . 1 41 41 VAL H H 1 8.79 0.03 . . . . . . A 288 VAL H . 30969 1 478 . 1 . 1 41 41 VAL HA H 1 4.92 0.03 . . . . . . A 288 VAL HA . 30969 1 479 . 1 . 1 41 41 VAL HB H 1 1.65 0.03 . . . . . . A 288 VAL HB . 30969 1 480 . 1 . 1 41 41 VAL HG11 H 1 0.71 0.03 . . . . . . A 288 VAL HG11 . 30969 1 481 . 1 . 1 41 41 VAL HG12 H 1 0.71 0.03 . . . . . . A 288 VAL HG12 . 30969 1 482 . 1 . 1 41 41 VAL HG13 H 1 0.71 0.03 . . . . . . A 288 VAL HG13 . 30969 1 483 . 1 . 1 41 41 VAL HG21 H 1 0.71 0.03 . . . . . . A 288 VAL HG21 . 30969 1 484 . 1 . 1 41 41 VAL HG22 H 1 0.71 0.03 . . . . . . A 288 VAL HG22 . 30969 1 485 . 1 . 1 41 41 VAL HG23 H 1 0.71 0.03 . . . . . . A 288 VAL HG23 . 30969 1 486 . 1 . 1 41 41 VAL C C 13 175.91 0.20 . . . . . . A 288 VAL C . 30969 1 487 . 1 . 1 41 41 VAL CA C 13 60.51 0.20 . . . . . . A 288 VAL CA . 30969 1 488 . 1 . 1 41 41 VAL CB C 13 36.21 0.20 . . . . . . A 288 VAL CB . 30969 1 489 . 1 . 1 41 41 VAL CG1 C 13 21.09 0.20 . . . . . . A 288 VAL CG1 . 30969 1 490 . 1 . 1 41 41 VAL CG2 C 13 21.09 0.20 . . . . . . A 288 VAL CG2 . 30969 1 491 . 1 . 1 41 41 VAL N N 15 120.09 0.30 . . . . . . A 288 VAL N . 30969 1 492 . 1 . 1 42 42 ILE H H 1 8.26 0.03 . . . . . . A 289 ILE H . 30969 1 493 . 1 . 1 42 42 ILE HA H 1 4.07 0.03 . . . . . . A 289 ILE HA . 30969 1 494 . 1 . 1 42 42 ILE HB H 1 2.15 0.03 . . . . . . A 289 ILE HB . 30969 1 495 . 1 . 1 42 42 ILE HG12 H 1 0.65 0.03 . . . . . . A 289 ILE HG12 . 30969 1 496 . 1 . 1 42 42 ILE HG13 H 1 1.76 0.03 . . . . . . A 289 ILE HG13 . 30969 1 497 . 1 . 1 42 42 ILE HG21 H 1 0.73 0.03 . . . . . . A 289 ILE HG21 . 30969 1 498 . 1 . 1 42 42 ILE HG22 H 1 0.73 0.03 . . . . . . A 289 ILE HG22 . 30969 1 499 . 1 . 1 42 42 ILE HG23 H 1 0.73 0.03 . . . . . . A 289 ILE HG23 . 30969 1 500 . 1 . 1 42 42 ILE HD11 H 1 0.75 0.03 . . . . . . A 289 ILE HD11 . 30969 1 501 . 1 . 1 42 42 ILE HD12 H 1 0.75 0.03 . . . . . . A 289 ILE HD12 . 30969 1 502 . 1 . 1 42 42 ILE HD13 H 1 0.75 0.03 . . . . . . A 289 ILE HD13 . 30969 1 503 . 1 . 1 42 42 ILE C C 13 175.30 0.20 . . . . . . A 289 ILE C . 30969 1 504 . 1 . 1 42 42 ILE CA C 13 63.65 0.20 . . . . . . A 289 ILE CA . 30969 1 505 . 1 . 1 42 42 ILE CB C 13 37.16 0.20 . . . . . . A 289 ILE CB . 30969 1 506 . 1 . 1 42 42 ILE CG1 C 13 28.51 0.20 . . . . . . A 289 ILE CG1 . 30969 1 507 . 1 . 1 42 42 ILE CG2 C 13 17.43 0.20 . . . . . . A 289 ILE CG2 . 30969 1 508 . 1 . 1 42 42 ILE CD1 C 13 13.46 0.20 . . . . . . A 289 ILE CD1 . 30969 1 509 . 1 . 1 42 42 ILE N N 15 123.47 0.30 . . . . . . A 289 ILE N . 30969 1 510 . 1 . 1 43 43 SER H H 1 9.54 0.03 . . . . . . A 290 SER H . 30969 1 511 . 1 . 1 43 43 SER HA H 1 4.49 0.03 . . . . . . A 290 SER HA . 30969 1 512 . 1 . 1 43 43 SER HB2 H 1 3.56 0.03 . . . . . . A 290 SER HB2 . 30969 1 513 . 1 . 1 43 43 SER HB3 H 1 3.71 0.03 . . . . . . A 290 SER HB3 . 30969 1 514 . 1 . 1 43 43 SER C C 13 175.17 0.20 . . . . . . A 290 SER C . 30969 1 515 . 1 . 1 43 43 SER CA C 13 60.27 0.20 . . . . . . A 290 SER CA . 30969 1 516 . 1 . 1 43 43 SER CB C 13 64.38 0.20 . . . . . . A 290 SER CB . 30969 1 517 . 1 . 1 43 43 SER N N 15 128.68 0.30 . . . . . . A 290 SER N . 30969 1 518 . 1 . 1 44 44 SER H H 1 7.91 0.03 . . . . . . A 291 SER H . 30969 1 519 . 1 . 1 44 44 SER HA H 1 4.50 0.03 . . . . . . A 291 SER HA . 30969 1 520 . 1 . 1 44 44 SER HB2 H 1 3.74 0.03 . . . . . . A 291 SER HB2 . 30969 1 521 . 1 . 1 44 44 SER HB3 H 1 3.80 0.03 . . . . . . A 291 SER HB3 . 30969 1 522 . 1 . 1 44 44 SER C C 13 171.74 0.20 . . . . . . A 291 SER C . 30969 1 523 . 1 . 1 44 44 SER CA C 13 58.76 0.20 . . . . . . A 291 SER CA . 30969 1 524 . 1 . 1 44 44 SER CB C 13 64.72 0.20 . . . . . . A 291 SER CB . 30969 1 525 . 1 . 1 44 44 SER N N 15 111.72 0.30 . . . . . . A 291 SER N . 30969 1 526 . 1 . 1 45 45 VAL H H 1 9.02 0.03 . . . . . . A 292 VAL H . 30969 1 527 . 1 . 1 45 45 VAL HA H 1 4.34 0.03 . . . . . . A 292 VAL HA . 30969 1 528 . 1 . 1 45 45 VAL HB H 1 2.00 0.03 . . . . . . A 292 VAL HB . 30969 1 529 . 1 . 1 45 45 VAL HG11 H 1 0.85 0.03 . . . . . . A 292 VAL HG11 . 30969 1 530 . 1 . 1 45 45 VAL HG12 H 1 0.85 0.03 . . . . . . A 292 VAL HG12 . 30969 1 531 . 1 . 1 45 45 VAL HG13 H 1 0.85 0.03 . . . . . . A 292 VAL HG13 . 30969 1 532 . 1 . 1 45 45 VAL HG21 H 1 0.81 0.03 . . . . . . A 292 VAL HG21 . 30969 1 533 . 1 . 1 45 45 VAL HG22 H 1 0.81 0.03 . . . . . . A 292 VAL HG22 . 30969 1 534 . 1 . 1 45 45 VAL HG23 H 1 0.81 0.03 . . . . . . A 292 VAL HG23 . 30969 1 535 . 1 . 1 45 45 VAL C C 13 175.67 0.20 . . . . . . A 292 VAL C . 30969 1 536 . 1 . 1 45 45 VAL CA C 13 62.79 0.20 . . . . . . A 292 VAL CA . 30969 1 537 . 1 . 1 45 45 VAL CB C 13 33.80 0.20 . . . . . . A 292 VAL CB . 30969 1 538 . 1 . 1 45 45 VAL CG1 C 13 22.23 0.20 . . . . . . A 292 VAL CG1 . 30969 1 539 . 1 . 1 45 45 VAL CG2 C 13 20.17 0.20 . . . . . . A 292 VAL CG2 . 30969 1 540 . 1 . 1 45 45 VAL N N 15 123.09 0.30 . . . . . . A 292 VAL N . 30969 1 541 . 1 . 1 46 46 GLY H H 1 8.68 0.03 . . . . . . A 293 GLY H . 30969 1 542 . 1 . 1 46 46 GLY HA2 H 1 4.60 0.03 . . . . . . A 293 GLY HA2 . 30969 1 543 . 1 . 1 46 46 GLY HA3 H 1 3.86 0.03 . . . . . . A 293 GLY HA3 . 30969 1 544 . 1 . 1 46 46 GLY C C 13 172.29 0.20 . . . . . . A 293 GLY C . 30969 1 545 . 1 . 1 46 46 GLY CA C 13 44.61 0.20 . . . . . . A 293 GLY CA . 30969 1 546 . 1 . 1 46 46 GLY N N 15 98.13 0.30 . . . . . . A 293 GLY N . 30969 1 547 . 1 . 1 47 47 ALA H H 1 8.48 0.03 . . . . . . A 294 ALA H . 30969 1 548 . 1 . 1 47 47 ALA HA H 1 4.30 0.03 . . . . . . A 294 ALA HA . 30969 1 549 . 1 . 1 47 47 ALA HB1 H 1 1.45 0.03 . . . . . . A 294 ALA HB1 . 30969 1 550 . 1 . 1 47 47 ALA HB2 H 1 1.45 0.03 . . . . . . A 294 ALA HB2 . 30969 1 551 . 1 . 1 47 47 ALA HB3 H 1 1.45 0.03 . . . . . . A 294 ALA HB3 . 30969 1 552 . 1 . 1 47 47 ALA C C 13 178.63 0.20 . . . . . . A 294 ALA C . 30969 1 553 . 1 . 1 47 47 ALA CA C 13 54.42 0.20 . . . . . . A 294 ALA CA . 30969 1 554 . 1 . 1 47 47 ALA CB C 13 18.99 0.20 . . . . . . A 294 ALA CB . 30969 1 555 . 1 . 1 47 47 ALA N N 15 121.90 0.30 . . . . . . A 294 ALA N . 30969 1 556 . 1 . 1 48 48 ASN H H 1 8.32 0.03 . . . . . . A 295 ASN H . 30969 1 557 . 1 . 1 48 48 ASN HA H 1 4.89 0.03 . . . . . . A 295 ASN HA . 30969 1 558 . 1 . 1 48 48 ASN HB2 H 1 2.79 0.03 . . . . . . A 295 ASN HB2 . 30969 1 559 . 1 . 1 48 48 ASN HB3 H 1 3.04 0.03 . . . . . . A 295 ASN HB3 . 30969 1 560 . 1 . 1 48 48 ASN HD21 H 1 7.79 0.03 . . . . . . A 295 ASN HD21 . 30969 1 561 . 1 . 1 48 48 ASN HD22 H 1 6.98 0.03 . . . . . . A 295 ASN HD22 . 30969 1 562 . 1 . 1 48 48 ASN C C 13 174.09 0.20 . . . . . . A 295 ASN C . 30969 1 563 . 1 . 1 48 48 ASN CA C 13 53.05 0.20 . . . . . . A 295 ASN CA . 30969 1 564 . 1 . 1 48 48 ASN CB C 13 40.54 0.20 . . . . . . A 295 ASN CB . 30969 1 565 . 1 . 1 48 48 ASN N N 15 113.10 0.30 . . . . . . A 295 ASN N . 30969 1 566 . 1 . 1 48 48 ASN ND2 N 15 113.05 0.30 . . . . . . A 295 ASN ND2 . 30969 1 567 . 1 . 1 49 49 GLU H H 1 7.40 0.03 . . . . . . A 296 GLU H . 30969 1 568 . 1 . 1 49 49 GLU HA H 1 4.98 0.03 . . . . . . A 296 GLU HA . 30969 1 569 . 1 . 1 49 49 GLU HB2 H 1 1.06 0.03 . . . . . . A 296 GLU HB2 . 30969 1 570 . 1 . 1 49 49 GLU HB3 H 1 1.90 0.03 . . . . . . A 296 GLU HB3 . 30969 1 571 . 1 . 1 49 49 GLU HG2 H 1 1.53 0.03 . . . . . . A 296 GLU HG2 . 30969 1 572 . 1 . 1 49 49 GLU HG3 H 1 1.85 0.03 . . . . . . A 296 GLU HG3 . 30969 1 573 . 1 . 1 49 49 GLU C C 13 173.04 0.20 . . . . . . A 296 GLU C . 30969 1 574 . 1 . 1 49 49 GLU CA C 13 54.41 0.20 . . . . . . A 296 GLU CA . 30969 1 575 . 1 . 1 49 49 GLU CB C 13 32.02 0.20 . . . . . . A 296 GLU CB . 30969 1 576 . 1 . 1 49 49 GLU CG C 13 34.37 0.20 . . . . . . A 296 GLU CG . 30969 1 577 . 1 . 1 49 49 GLU N N 15 115.35 0.30 . . . . . . A 296 GLU N . 30969 1 578 . 1 . 1 50 50 ILE H H 1 8.61 0.03 . . . . . . A 297 ILE H . 30969 1 579 . 1 . 1 50 50 ILE HA H 1 4.80 0.03 . . . . . . A 297 ILE HA . 30969 1 580 . 1 . 1 50 50 ILE HB H 1 1.81 0.03 . . . . . . A 297 ILE HB . 30969 1 581 . 1 . 1 50 50 ILE HG12 H 1 0.73 0.03 . . . . . . A 297 ILE HG12 . 30969 1 582 . 1 . 1 50 50 ILE HG13 H 1 1.14 0.03 . . . . . . A 297 ILE HG13 . 30969 1 583 . 1 . 1 50 50 ILE HG21 H 1 0.80 0.03 . . . . . . A 297 ILE HG21 . 30969 1 584 . 1 . 1 50 50 ILE HG22 H 1 0.80 0.03 . . . . . . A 297 ILE HG22 . 30969 1 585 . 1 . 1 50 50 ILE HG23 H 1 0.80 0.03 . . . . . . A 297 ILE HG23 . 30969 1 586 . 1 . 1 50 50 ILE HD11 H 1 0.38 0.03 . . . . . . A 297 ILE HD11 . 30969 1 587 . 1 . 1 50 50 ILE HD12 H 1 0.38 0.03 . . . . . . A 297 ILE HD12 . 30969 1 588 . 1 . 1 50 50 ILE HD13 H 1 0.38 0.03 . . . . . . A 297 ILE HD13 . 30969 1 589 . 1 . 1 50 50 ILE C C 13 173.15 0.20 . . . . . . A 297 ILE C . 30969 1 590 . 1 . 1 50 50 ILE CA C 13 59.62 0.20 . . . . . . A 297 ILE CA . 30969 1 591 . 1 . 1 50 50 ILE CB C 13 41.22 0.20 . . . . . . A 297 ILE CB . 30969 1 592 . 1 . 1 50 50 ILE CG1 C 13 26.62 0.20 . . . . . . A 297 ILE CG1 . 30969 1 593 . 1 . 1 50 50 ILE CG2 C 13 19.53 0.20 . . . . . . A 297 ILE CG2 . 30969 1 594 . 1 . 1 50 50 ILE CD1 C 13 14.07 0.20 . . . . . . A 297 ILE CD1 . 30969 1 595 . 1 . 1 50 50 ILE N N 15 112.37 0.30 . . . . . . A 297 ILE N . 30969 1 596 . 1 . 1 51 51 TRP H H 1 8.76 0.03 . . . . . . A 298 TRP H . 30969 1 597 . 1 . 1 51 51 TRP HA H 1 5.21 0.03 . . . . . . A 298 TRP HA . 30969 1 598 . 1 . 1 51 51 TRP HB2 H 1 2.80 0.03 . . . . . . A 298 TRP HB2 . 30969 1 599 . 1 . 1 51 51 TRP HB3 H 1 2.99 0.03 . . . . . . A 298 TRP HB3 . 30969 1 600 . 1 . 1 51 51 TRP HD1 H 1 6.82 0.03 . . . . . . A 298 TRP HD1 . 30969 1 601 . 1 . 1 51 51 TRP HE1 H 1 10.29 0.03 . . . . . . A 298 TRP HE1 . 30969 1 602 . 1 . 1 51 51 TRP HE3 H 1 7.17 0.03 . . . . . . A 298 TRP HE3 . 30969 1 603 . 1 . 1 51 51 TRP HZ2 H 1 7.34 0.03 . . . . . . A 298 TRP HZ2 . 30969 1 604 . 1 . 1 51 51 TRP HZ3 H 1 6.86 0.03 . . . . . . A 298 TRP HZ3 . 30969 1 605 . 1 . 1 51 51 TRP HH2 H 1 7.12 0.03 . . . . . . A 298 TRP HH2 . 30969 1 606 . 1 . 1 51 51 TRP C C 13 176.54 0.20 . . . . . . A 298 TRP C . 30969 1 607 . 1 . 1 51 51 TRP CA C 13 56.17 0.20 . . . . . . A 298 TRP CA . 30969 1 608 . 1 . 1 51 51 TRP CB C 13 30.93 0.20 . . . . . . A 298 TRP CB . 30969 1 609 . 1 . 1 51 51 TRP CD1 C 13 126.01 0.20 . . . . . . A 298 TRP CD1 . 30969 1 610 . 1 . 1 51 51 TRP CE3 C 13 119.73 0.20 . . . . . . A 298 TRP CE3 . 30969 1 611 . 1 . 1 51 51 TRP CZ2 C 13 114.59 0.20 . . . . . . A 298 TRP CZ2 . 30969 1 612 . 1 . 1 51 51 TRP CZ3 C 13 121.68 0.20 . . . . . . A 298 TRP CZ3 . 30969 1 613 . 1 . 1 51 51 TRP CH2 C 13 124.53 0.20 . . . . . . A 298 TRP CH2 . 30969 1 614 . 1 . 1 51 51 TRP N N 15 121.06 0.30 . . . . . . A 298 TRP N . 30969 1 615 . 1 . 1 51 51 TRP NE1 N 15 130.11 0.30 . . . . . . A 298 TRP NE1 . 30969 1 616 . 1 . 1 52 52 VAL H H 1 9.20 0.03 . . . . . . A 299 VAL H . 30969 1 617 . 1 . 1 52 52 VAL HA H 1 5.22 0.03 . . . . . . A 299 VAL HA . 30969 1 618 . 1 . 1 52 52 VAL HB H 1 1.74 0.03 . . . . . . A 299 VAL HB . 30969 1 619 . 1 . 1 52 52 VAL HG11 H 1 0.65 0.03 . . . . . . A 299 VAL HG11 . 30969 1 620 . 1 . 1 52 52 VAL HG12 H 1 0.65 0.03 . . . . . . A 299 VAL HG12 . 30969 1 621 . 1 . 1 52 52 VAL HG13 H 1 0.65 0.03 . . . . . . A 299 VAL HG13 . 30969 1 622 . 1 . 1 52 52 VAL HG21 H 1 0.59 0.03 . . . . . . A 299 VAL HG21 . 30969 1 623 . 1 . 1 52 52 VAL HG22 H 1 0.59 0.03 . . . . . . A 299 VAL HG22 . 30969 1 624 . 1 . 1 52 52 VAL HG23 H 1 0.59 0.03 . . . . . . A 299 VAL HG23 . 30969 1 625 . 1 . 1 52 52 VAL C C 13 173.62 0.20 . . . . . . A 299 VAL C . 30969 1 626 . 1 . 1 52 52 VAL CA C 13 58.26 0.20 . . . . . . A 299 VAL CA . 30969 1 627 . 1 . 1 52 52 VAL CB C 13 35.14 0.20 . . . . . . A 299 VAL CB . 30969 1 628 . 1 . 1 52 52 VAL CG1 C 13 19.64 0.20 . . . . . . A 299 VAL CG1 . 30969 1 629 . 1 . 1 52 52 VAL CG2 C 13 22.23 0.20 . . . . . . A 299 VAL CG2 . 30969 1 630 . 1 . 1 52 52 VAL N N 15 114.67 0.30 . . . . . . A 299 VAL N . 30969 1 631 . 1 . 1 53 53 ARG H H 1 8.98 0.03 . . . . . . A 300 ARG H . 30969 1 632 . 1 . 1 53 53 ARG HA H 1 5.20 0.03 . . . . . . A 300 ARG HA . 30969 1 633 . 1 . 1 53 53 ARG HB2 H 1 1.45 0.03 . . . . . . A 300 ARG HB2 . 30969 1 634 . 1 . 1 53 53 ARG HB3 H 1 1.62 0.03 . . . . . . A 300 ARG HB3 . 30969 1 635 . 1 . 1 53 53 ARG HG3 H 1 1.36 0.03 . . . . . . A 300 ARG HG3 . 30969 1 636 . 1 . 1 53 53 ARG HD2 H 1 3.06 0.03 . . . . . . A 300 ARG HD2 . 30969 1 637 . 1 . 1 53 53 ARG HD3 H 1 3.12 0.03 . . . . . . A 300 ARG HD3 . 30969 1 638 . 1 . 1 53 53 ARG C C 13 176.72 0.20 . . . . . . A 300 ARG C . 30969 1 639 . 1 . 1 53 53 ARG CA C 13 53.81 0.20 . . . . . . A 300 ARG CA . 30969 1 640 . 1 . 1 53 53 ARG CB C 13 33.67 0.20 . . . . . . A 300 ARG CB . 30969 1 641 . 1 . 1 53 53 ARG CG C 13 27.51 0.20 . . . . . . A 300 ARG CG . 30969 1 642 . 1 . 1 53 53 ARG CD C 13 43.45 0.20 . . . . . . A 300 ARG CD . 30969 1 643 . 1 . 1 53 53 ARG N N 15 121.00 0.30 . . . . . . A 300 ARG N . 30969 1 644 . 1 . 1 54 54 LYS H H 1 9.10 0.03 . . . . . . A 301 LYS H . 30969 1 645 . 1 . 1 54 54 LYS HA H 1 4.46 0.03 . . . . . . A 301 LYS HA . 30969 1 646 . 1 . 1 54 54 LYS HB2 H 1 1.96 0.03 . . . . . . A 301 LYS HB2 . 30969 1 647 . 1 . 1 54 54 LYS HB3 H 1 2.10 0.03 . . . . . . A 301 LYS HB3 . 30969 1 648 . 1 . 1 54 54 LYS HG2 H 1 1.29 0.03 . . . . . . A 301 LYS HG2 . 30969 1 649 . 1 . 1 54 54 LYS HG3 H 1 1.47 0.03 . . . . . . A 301 LYS HG3 . 30969 1 650 . 1 . 1 54 54 LYS HD3 H 1 1.72 0.03 . . . . . . A 301 LYS HD3 . 30969 1 651 . 1 . 1 54 54 LYS HE3 H 1 2.81 0.03 . . . . . . A 301 LYS HE3 . 30969 1 652 . 1 . 1 54 54 LYS C C 13 177.77 0.20 . . . . . . A 301 LYS C . 30969 1 653 . 1 . 1 54 54 LYS CA C 13 57.70 0.20 . . . . . . A 301 LYS CA . 30969 1 654 . 1 . 1 54 54 LYS CB C 13 33.05 0.20 . . . . . . A 301 LYS CB . 30969 1 655 . 1 . 1 54 54 LYS CG C 13 26.16 0.20 . . . . . . A 301 LYS CG . 30969 1 656 . 1 . 1 54 54 LYS CD C 13 29.64 0.20 . . . . . . A 301 LYS CD . 30969 1 657 . 1 . 1 54 54 LYS CE C 13 41.80 0.20 . . . . . . A 301 LYS CE . 30969 1 658 . 1 . 1 54 54 LYS N N 15 126.81 0.30 . . . . . . A 301 LYS N . 30969 1 659 . 1 . 1 55 55 THR H H 1 8.37 0.03 . . . . . . A 302 THR H . 30969 1 660 . 1 . 1 55 55 THR HA H 1 3.98 0.03 . . . . . . A 302 THR HA . 30969 1 661 . 1 . 1 55 55 THR HB H 1 4.14 0.03 . . . . . . A 302 THR HB . 30969 1 662 . 1 . 1 55 55 THR HG21 H 1 1.07 0.03 . . . . . . A 302 THR HG21 . 30969 1 663 . 1 . 1 55 55 THR HG22 H 1 1.07 0.03 . . . . . . A 302 THR HG22 . 30969 1 664 . 1 . 1 55 55 THR HG23 H 1 1.07 0.03 . . . . . . A 302 THR HG23 . 30969 1 665 . 1 . 1 55 55 THR C C 13 176.97 0.20 . . . . . . A 302 THR C . 30969 1 666 . 1 . 1 55 55 THR CA C 13 64.80 0.20 . . . . . . A 302 THR CA . 30969 1 667 . 1 . 1 55 55 THR CB C 13 68.48 0.20 . . . . . . A 302 THR CB . 30969 1 668 . 1 . 1 55 55 THR CG2 C 13 22.82 0.20 . . . . . . A 302 THR CG2 . 30969 1 669 . 1 . 1 55 55 THR N N 15 117.07 0.30 . . . . . . A 302 THR N . 30969 1 670 . 1 . 1 56 56 SER H H 1 8.67 0.03 . . . . . . A 303 SER H . 30969 1 671 . 1 . 1 56 56 SER HA H 1 4.14 0.03 . . . . . . A 303 SER HA . 30969 1 672 . 1 . 1 56 56 SER HB3 H 1 3.91 0.03 . . . . . . A 303 SER HB3 . 30969 1 673 . 1 . 1 56 56 SER C C 13 176.18 0.20 . . . . . . A 303 SER C . 30969 1 674 . 1 . 1 56 56 SER CA C 13 60.45 0.20 . . . . . . A 303 SER CA . 30969 1 675 . 1 . 1 56 56 SER CB C 13 62.37 0.20 . . . . . . A 303 SER CB . 30969 1 676 . 1 . 1 56 56 SER N N 15 116.09 0.30 . . . . . . A 303 SER N . 30969 1 677 . 1 . 1 57 57 ASP H H 1 7.08 0.03 . . . . . . A 304 ASP H . 30969 1 678 . 1 . 1 57 57 ASP HA H 1 4.76 0.03 . . . . . . A 304 ASP HA . 30969 1 679 . 1 . 1 57 57 ASP HB2 H 1 2.52 0.03 . . . . . . A 304 ASP HB2 . 30969 1 680 . 1 . 1 57 57 ASP HB3 H 1 3.00 0.03 . . . . . . A 304 ASP HB3 . 30969 1 681 . 1 . 1 57 57 ASP C C 13 176.34 0.20 . . . . . . A 304 ASP C . 30969 1 682 . 1 . 1 57 57 ASP CA C 13 53.25 0.20 . . . . . . A 304 ASP CA . 30969 1 683 . 1 . 1 57 57 ASP CB C 13 42.34 0.20 . . . . . . A 304 ASP CB . 30969 1 684 . 1 . 1 57 57 ASP N N 15 117.14 0.30 . . . . . . A 304 ASP N . 30969 1 685 . 1 . 1 58 58 SER H H 1 7.98 0.03 . . . . . . A 305 SER H . 30969 1 686 . 1 . 1 58 58 SER HA H 1 4.21 0.03 . . . . . . A 305 SER HA . 30969 1 687 . 1 . 1 58 58 SER HB2 H 1 4.04 0.03 . . . . . . A 305 SER HB2 . 30969 1 688 . 1 . 1 58 58 SER HB3 H 1 4.10 0.03 . . . . . . A 305 SER HB3 . 30969 1 689 . 1 . 1 58 58 SER C C 13 173.89 0.20 . . . . . . A 305 SER C . 30969 1 690 . 1 . 1 58 58 SER CA C 13 60.68 0.20 . . . . . . A 305 SER CA . 30969 1 691 . 1 . 1 58 58 SER CB C 13 62.67 0.20 . . . . . . A 305 SER CB . 30969 1 692 . 1 . 1 58 58 SER N N 15 110.62 0.30 . . . . . . A 305 SER N . 30969 1 693 . 1 . 1 59 59 THR H H 1 8.27 0.03 . . . . . . A 306 THR H . 30969 1 694 . 1 . 1 59 59 THR HA H 1 4.24 0.03 . . . . . . A 306 THR HA . 30969 1 695 . 1 . 1 59 59 THR HB H 1 4.15 0.03 . . . . . . A 306 THR HB . 30969 1 696 . 1 . 1 59 59 THR HG21 H 1 1.16 0.03 . . . . . . A 306 THR HG21 . 30969 1 697 . 1 . 1 59 59 THR HG22 H 1 1.16 0.03 . . . . . . A 306 THR HG22 . 30969 1 698 . 1 . 1 59 59 THR HG23 H 1 1.16 0.03 . . . . . . A 306 THR HG23 . 30969 1 699 . 1 . 1 59 59 THR CA C 13 63.17 0.20 . . . . . . A 306 THR CA . 30969 1 700 . 1 . 1 59 59 THR CB C 13 70.55 0.20 . . . . . . A 306 THR CB . 30969 1 701 . 1 . 1 59 59 THR CG2 C 13 21.98 0.20 . . . . . . A 306 THR CG2 . 30969 1 702 . 1 . 1 59 59 THR N N 15 114.30 0.30 . . . . . . A 306 THR N . 30969 1 703 . 1 . 1 60 60 LYS H H 1 8.55 0.03 . . . . . . A 307 LYS H . 30969 1 704 . 1 . 1 60 60 LYS HA H 1 5.61 0.03 . . . . . . A 307 LYS HA . 30969 1 705 . 1 . 1 60 60 LYS HB3 H 1 1.83 0.03 . . . . . . A 307 LYS HB3 . 30969 1 706 . 1 . 1 60 60 LYS HG2 H 1 1.33 0.03 . . . . . . A 307 LYS HG2 . 30969 1 707 . 1 . 1 60 60 LYS HG3 H 1 1.50 0.03 . . . . . . A 307 LYS HG3 . 30969 1 708 . 1 . 1 60 60 LYS HD2 H 1 1.42 0.03 . . . . . . A 307 LYS HD2 . 30969 1 709 . 1 . 1 60 60 LYS HD3 H 1 1.49 0.03 . . . . . . A 307 LYS HD3 . 30969 1 710 . 1 . 1 60 60 LYS HE3 H 1 2.69 0.03 . . . . . . A 307 LYS HE3 . 30969 1 711 . 1 . 1 60 60 LYS C C 13 176.80 0.20 . . . . . . A 307 LYS C . 30969 1 712 . 1 . 1 60 60 LYS CA C 13 55.20 0.20 . . . . . . A 307 LYS CA . 30969 1 713 . 1 . 1 60 60 LYS CB C 13 36.13 0.20 . . . . . . A 307 LYS CB . 30969 1 714 . 1 . 1 60 60 LYS CG C 13 25.30 0.20 . . . . . . A 307 LYS CG . 30969 1 715 . 1 . 1 60 60 LYS CD C 13 29.67 0.20 . . . . . . A 307 LYS CD . 30969 1 716 . 1 . 1 60 60 LYS CE C 13 41.66 0.20 . . . . . . A 307 LYS CE . 30969 1 717 . 1 . 1 60 60 LYS N N 15 120.11 0.30 . . . . . . A 307 LYS N . 30969 1 718 . 1 . 1 61 61 MET H H 1 9.04 0.03 . . . . . . A 308 MET H . 30969 1 719 . 1 . 1 61 61 MET HA H 1 4.58 0.03 . . . . . . A 308 MET HA . 30969 1 720 . 1 . 1 61 61 MET HB2 H 1 1.62 0.03 . . . . . . A 308 MET HB2 . 30969 1 721 . 1 . 1 61 61 MET HB3 H 1 1.72 0.03 . . . . . . A 308 MET HB3 . 30969 1 722 . 1 . 1 61 61 MET HG2 H 1 2.10 0.03 . . . . . . A 308 MET HG2 . 30969 1 723 . 1 . 1 61 61 MET HG3 H 1 2.18 0.03 . . . . . . A 308 MET HG3 . 30969 1 724 . 1 . 1 61 61 MET HE1 H 1 1.66 0.03 . . . . . . A 308 MET HE1 . 30969 1 725 . 1 . 1 61 61 MET HE2 H 1 1.66 0.03 . . . . . . A 308 MET HE2 . 30969 1 726 . 1 . 1 61 61 MET HE3 H 1 1.66 0.03 . . . . . . A 308 MET HE3 . 30969 1 727 . 1 . 1 61 61 MET C C 13 172.45 0.20 . . . . . . A 308 MET C . 30969 1 728 . 1 . 1 61 61 MET CA C 13 55.08 0.20 . . . . . . A 308 MET CA . 30969 1 729 . 1 . 1 61 61 MET CB C 13 37.03 0.20 . . . . . . A 308 MET CB . 30969 1 730 . 1 . 1 61 61 MET CG C 13 31.31 0.20 . . . . . . A 308 MET CG . 30969 1 731 . 1 . 1 61 61 MET CE C 13 16.96 0.20 . . . . . . A 308 MET CE . 30969 1 732 . 1 . 1 61 61 MET N N 15 119.94 0.30 . . . . . . A 308 MET N . 30969 1 733 . 1 . 1 62 62 ARG H H 1 8.10 0.03 . . . . . . A 309 ARG H . 30969 1 734 . 1 . 1 62 62 ARG HA H 1 3.69 0.03 . . . . . . A 309 ARG HA . 30969 1 735 . 1 . 1 62 62 ARG HB2 H 1 -0.46 0.03 . . . . . . A 309 ARG HB2 . 30969 1 736 . 1 . 1 62 62 ARG HB3 H 1 0.67 0.03 . . . . . . A 309 ARG HB3 . 30969 1 737 . 1 . 1 62 62 ARG HG3 H 1 0.00 0.03 . . . . . . A 309 ARG HG3 . 30969 1 738 . 1 . 1 62 62 ARG HD2 H 1 2.22 0.03 . . . . . . A 309 ARG HD2 . 30969 1 739 . 1 . 1 62 62 ARG HD3 H 1 2.33 0.03 . . . . . . A 309 ARG HD3 . 30969 1 740 . 1 . 1 62 62 ARG HE H 1 6.51 0.03 . . . . . . A 309 ARG HE . 30969 1 741 . 1 . 1 62 62 ARG C C 13 174.53 0.20 . . . . . . A 309 ARG C . 30969 1 742 . 1 . 1 62 62 ARG CA C 13 54.58 0.20 . . . . . . A 309 ARG CA . 30969 1 743 . 1 . 1 62 62 ARG CB C 13 30.27 0.20 . . . . . . A 309 ARG CB . 30969 1 744 . 1 . 1 62 62 ARG CG C 13 25.36 0.20 . . . . . . A 309 ARG CG . 30969 1 745 . 1 . 1 62 62 ARG CD C 13 43.30 0.20 . . . . . . A 309 ARG CD . 30969 1 746 . 1 . 1 62 62 ARG N N 15 125.91 0.30 . . . . . . A 309 ARG N . 30969 1 747 . 1 . 1 62 62 ARG NE N 15 83.42 0.30 . . . . . . A 309 ARG NE . 30969 1 748 . 1 . 1 63 63 ILE H H 1 8.48 0.03 . . . . . . A 310 ILE H . 30969 1 749 . 1 . 1 63 63 ILE HA H 1 3.97 0.03 . . . . . . A 310 ILE HA . 30969 1 750 . 1 . 1 63 63 ILE HB H 1 1.30 0.03 . . . . . . A 310 ILE HB . 30969 1 751 . 1 . 1 63 63 ILE HG12 H 1 0.38 0.03 . . . . . . A 310 ILE HG12 . 30969 1 752 . 1 . 1 63 63 ILE HG13 H 1 0.60 0.03 . . . . . . A 310 ILE HG13 . 30969 1 753 . 1 . 1 63 63 ILE HG21 H 1 0.38 0.03 . . . . . . A 310 ILE HG21 . 30969 1 754 . 1 . 1 63 63 ILE HG22 H 1 0.38 0.03 . . . . . . A 310 ILE HG22 . 30969 1 755 . 1 . 1 63 63 ILE HG23 H 1 0.38 0.03 . . . . . . A 310 ILE HG23 . 30969 1 756 . 1 . 1 63 63 ILE HD11 H 1 -0.09 0.03 . . . . . . A 310 ILE HD11 . 30969 1 757 . 1 . 1 63 63 ILE HD12 H 1 -0.09 0.03 . . . . . . A 310 ILE HD12 . 30969 1 758 . 1 . 1 63 63 ILE HD13 H 1 -0.09 0.03 . . . . . . A 310 ILE HD13 . 30969 1 759 . 1 . 1 63 63 ILE C C 13 175.30 0.20 . . . . . . A 310 ILE C . 30969 1 760 . 1 . 1 63 63 ILE CA C 13 59.40 0.20 . . . . . . A 310 ILE CA . 30969 1 761 . 1 . 1 63 63 ILE CB C 13 39.79 0.20 . . . . . . A 310 ILE CB . 30969 1 762 . 1 . 1 63 63 ILE CG1 C 13 26.87 0.20 . . . . . . A 310 ILE CG1 . 30969 1 763 . 1 . 1 63 63 ILE CG2 C 13 17.47 0.20 . . . . . . A 310 ILE CG2 . 30969 1 764 . 1 . 1 63 63 ILE CD1 C 13 13.15 0.20 . . . . . . A 310 ILE CD1 . 30969 1 765 . 1 . 1 63 63 ILE N N 15 125.75 0.30 . . . . . . A 310 ILE N . 30969 1 766 . 1 . 1 64 64 TYR H H 1 8.60 0.03 . . . . . . A 311 TYR H . 30969 1 767 . 1 . 1 64 64 TYR HA H 1 4.69 0.03 . . . . . . A 311 TYR HA . 30969 1 768 . 1 . 1 64 64 TYR HB2 H 1 2.61 0.03 . . . . . . A 311 TYR HB2 . 30969 1 769 . 1 . 1 64 64 TYR HB3 H 1 3.42 0.03 . . . . . . A 311 TYR HB3 . 30969 1 770 . 1 . 1 64 64 TYR HD1 H 1 7.12 0.03 . . . . . . A 311 TYR HD1 . 30969 1 771 . 1 . 1 64 64 TYR HE1 H 1 6.77 0.03 . . . . . . A 311 TYR HE1 . 30969 1 772 . 1 . 1 64 64 TYR C C 13 178.69 0.20 . . . . . . A 311 TYR C . 30969 1 773 . 1 . 1 64 64 TYR CA C 13 58.61 0.20 . . . . . . A 311 TYR CA . 30969 1 774 . 1 . 1 64 64 TYR CB C 13 39.56 0.20 . . . . . . A 311 TYR CB . 30969 1 775 . 1 . 1 64 64 TYR CD1 C 13 133.10 0.20 . . . . . . A 311 TYR CD1 . 30969 1 776 . 1 . 1 64 64 TYR CE1 C 13 117.86 0.20 . . . . . . A 311 TYR CE1 . 30969 1 777 . 1 . 1 64 64 TYR N N 15 123.75 0.30 . . . . . . A 311 TYR N . 30969 1 778 . 1 . 1 65 65 VAL H H 1 8.53 0.03 . . . . . . A 312 VAL H . 30969 1 779 . 1 . 1 65 65 VAL HA H 1 3.46 0.03 . . . . . . A 312 VAL HA . 30969 1 780 . 1 . 1 65 65 VAL HB H 1 2.01 0.03 . . . . . . A 312 VAL HB . 30969 1 781 . 1 . 1 65 65 VAL HG11 H 1 0.88 0.03 . . . . . . A 312 VAL HG11 . 30969 1 782 . 1 . 1 65 65 VAL HG12 H 1 0.88 0.03 . . . . . . A 312 VAL HG12 . 30969 1 783 . 1 . 1 65 65 VAL HG13 H 1 0.88 0.03 . . . . . . A 312 VAL HG13 . 30969 1 784 . 1 . 1 65 65 VAL HG21 H 1 0.87 0.03 . . . . . . A 312 VAL HG21 . 30969 1 785 . 1 . 1 65 65 VAL HG22 H 1 0.87 0.03 . . . . . . A 312 VAL HG22 . 30969 1 786 . 1 . 1 65 65 VAL HG23 H 1 0.87 0.03 . . . . . . A 312 VAL HG23 . 30969 1 787 . 1 . 1 65 65 VAL C C 13 178.75 0.20 . . . . . . A 312 VAL C . 30969 1 788 . 1 . 1 65 65 VAL CA C 13 67.53 0.20 . . . . . . A 312 VAL CA . 30969 1 789 . 1 . 1 65 65 VAL CB C 13 31.74 0.20 . . . . . . A 312 VAL CB . 30969 1 790 . 1 . 1 65 65 VAL CG1 C 13 21.69 0.20 . . . . . . A 312 VAL CG1 . 30969 1 791 . 1 . 1 65 65 VAL CG2 C 13 23.22 0.20 . . . . . . A 312 VAL CG2 . 30969 1 792 . 1 . 1 65 65 VAL N N 15 122.83 0.30 . . . . . . A 312 VAL N . 30969 1 793 . 1 . 1 66 66 GLY H H 1 9.02 0.03 . . . . . . A 313 GLY H . 30969 1 794 . 1 . 1 66 66 GLY HA2 H 1 4.08 0.03 . . . . . . A 313 GLY HA2 . 30969 1 795 . 1 . 1 66 66 GLY HA3 H 1 3.98 0.03 . . . . . . A 313 GLY HA3 . 30969 1 796 . 1 . 1 66 66 GLY C C 13 176.61 0.20 . . . . . . A 313 GLY C . 30969 1 797 . 1 . 1 66 66 GLY CA C 13 47.28 0.20 . . . . . . A 313 GLY CA . 30969 1 798 . 1 . 1 66 66 GLY N N 15 107.00 0.30 . . . . . . A 313 GLY N . 30969 1 799 . 1 . 1 67 67 GLN H H 1 7.26 0.03 . . . . . . A 314 GLN H . 30969 1 800 . 1 . 1 67 67 GLN HA H 1 4.16 0.03 . . . . . . A 314 GLN HA . 30969 1 801 . 1 . 1 67 67 GLN HB2 H 1 2.01 0.03 . . . . . . A 314 GLN HB2 . 30969 1 802 . 1 . 1 67 67 GLN HB3 H 1 2.88 0.03 . . . . . . A 314 GLN HB3 . 30969 1 803 . 1 . 1 67 67 GLN HG2 H 1 2.49 0.03 . . . . . . A 314 GLN HG2 . 30969 1 804 . 1 . 1 67 67 GLN HG3 H 1 2.64 0.03 . . . . . . A 314 GLN HG3 . 30969 1 805 . 1 . 1 67 67 GLN HE21 H 1 7.70 0.03 . . . . . . A 314 GLN HE21 . 30969 1 806 . 1 . 1 67 67 GLN HE22 H 1 7.08 0.03 . . . . . . A 314 GLN HE22 . 30969 1 807 . 1 . 1 67 67 GLN C C 13 179.34 0.20 . . . . . . A 314 GLN C . 30969 1 808 . 1 . 1 67 67 GLN CA C 13 59.11 0.20 . . . . . . A 314 GLN CA . 30969 1 809 . 1 . 1 67 67 GLN CB C 13 29.77 0.20 . . . . . . A 314 GLN CB . 30969 1 810 . 1 . 1 67 67 GLN CG C 13 35.81 0.20 . . . . . . A 314 GLN CG . 30969 1 811 . 1 . 1 67 67 GLN N N 15 117.36 0.30 . . . . . . A 314 GLN N . 30969 1 812 . 1 . 1 67 67 GLN NE2 N 15 112.20 0.30 . . . . . . A 314 GLN NE2 . 30969 1 813 . 1 . 1 68 68 LEU H H 1 7.32 0.03 . . . . . . A 315 LEU H . 30969 1 814 . 1 . 1 68 68 LEU HA H 1 4.35 0.03 . . . . . . A 315 LEU HA . 30969 1 815 . 1 . 1 68 68 LEU HB2 H 1 1.27 0.03 . . . . . . A 315 LEU HB2 . 30969 1 816 . 1 . 1 68 68 LEU HB3 H 1 2.08 0.03 . . . . . . A 315 LEU HB3 . 30969 1 817 . 1 . 1 68 68 LEU HG H 1 1.40 0.03 . . . . . . A 315 LEU HG . 30969 1 818 . 1 . 1 68 68 LEU HD11 H 1 0.40 0.03 . . . . . . A 315 LEU HD11 . 30969 1 819 . 1 . 1 68 68 LEU HD12 H 1 0.40 0.03 . . . . . . A 315 LEU HD12 . 30969 1 820 . 1 . 1 68 68 LEU HD13 H 1 0.40 0.03 . . . . . . A 315 LEU HD13 . 30969 1 821 . 1 . 1 68 68 LEU HD21 H 1 0.08 0.03 . . . . . . A 315 LEU HD21 . 30969 1 822 . 1 . 1 68 68 LEU HD22 H 1 0.08 0.03 . . . . . . A 315 LEU HD22 . 30969 1 823 . 1 . 1 68 68 LEU HD23 H 1 0.08 0.03 . . . . . . A 315 LEU HD23 . 30969 1 824 . 1 . 1 68 68 LEU C C 13 181.41 0.20 . . . . . . A 315 LEU C . 30969 1 825 . 1 . 1 68 68 LEU CA C 13 57.07 0.20 . . . . . . A 315 LEU CA . 30969 1 826 . 1 . 1 68 68 LEU CB C 13 41.53 0.20 . . . . . . A 315 LEU CB . 30969 1 827 . 1 . 1 68 68 LEU CG C 13 26.76 0.20 . . . . . . A 315 LEU CG . 30969 1 828 . 1 . 1 68 68 LEU CD1 C 13 26.90 0.20 . . . . . . A 315 LEU CD1 . 30969 1 829 . 1 . 1 68 68 LEU CD2 C 13 22.10 0.20 . . . . . . A 315 LEU CD2 . 30969 1 830 . 1 . 1 68 68 LEU N N 15 118.43 0.30 . . . . . . A 315 LEU N . 30969 1 831 . 1 . 1 69 69 GLN H H 1 8.55 0.03 . . . . . . A 316 GLN H . 30969 1 832 . 1 . 1 69 69 GLN HA H 1 4.73 0.03 . . . . . . A 316 GLN HA . 30969 1 833 . 1 . 1 69 69 GLN HB2 H 1 2.18 0.03 . . . . . . A 316 GLN HB2 . 30969 1 834 . 1 . 1 69 69 GLN HB3 H 1 2.51 0.03 . . . . . . A 316 GLN HB3 . 30969 1 835 . 1 . 1 69 69 GLN HG3 H 1 2.75 0.03 . . . . . . A 316 GLN HG3 . 30969 1 836 . 1 . 1 69 69 GLN HE21 H 1 7.75 0.03 . . . . . . A 316 GLN HE21 . 30969 1 837 . 1 . 1 69 69 GLN HE22 H 1 6.94 0.03 . . . . . . A 316 GLN HE22 . 30969 1 838 . 1 . 1 69 69 GLN C C 13 178.06 0.20 . . . . . . A 316 GLN C . 30969 1 839 . 1 . 1 69 69 GLN CA C 13 58.89 0.20 . . . . . . A 316 GLN CA . 30969 1 840 . 1 . 1 69 69 GLN CB C 13 28.93 0.20 . . . . . . A 316 GLN CB . 30969 1 841 . 1 . 1 69 69 GLN CG C 13 35.00 0.20 . . . . . . A 316 GLN CG . 30969 1 842 . 1 . 1 69 69 GLN N N 15 119.65 0.30 . . . . . . A 316 GLN N . 30969 1 843 . 1 . 1 69 69 GLN NE2 N 15 111.11 0.30 . . . . . . A 316 GLN NE2 . 30969 1 844 . 1 . 1 70 70 ARG H H 1 7.48 0.03 . . . . . . A 317 ARG H . 30969 1 845 . 1 . 1 70 70 ARG HA H 1 4.60 0.03 . . . . . . A 317 ARG HA . 30969 1 846 . 1 . 1 70 70 ARG HB2 H 1 1.75 0.03 . . . . . . A 317 ARG HB2 . 30969 1 847 . 1 . 1 70 70 ARG HB3 H 1 2.12 0.03 . . . . . . A 317 ARG HB3 . 30969 1 848 . 1 . 1 70 70 ARG HG2 H 1 1.72 0.03 . . . . . . A 317 ARG HG2 . 30969 1 849 . 1 . 1 70 70 ARG HG3 H 1 1.94 0.03 . . . . . . A 317 ARG HG3 . 30969 1 850 . 1 . 1 70 70 ARG HD3 H 1 3.20 0.03 . . . . . . A 317 ARG HD3 . 30969 1 851 . 1 . 1 70 70 ARG C C 13 177.03 0.20 . . . . . . A 317 ARG C . 30969 1 852 . 1 . 1 70 70 ARG CA C 13 56.42 0.20 . . . . . . A 317 ARG CA . 30969 1 853 . 1 . 1 70 70 ARG CB C 13 31.56 0.20 . . . . . . A 317 ARG CB . 30969 1 854 . 1 . 1 70 70 ARG CG C 13 28.47 0.20 . . . . . . A 317 ARG CG . 30969 1 855 . 1 . 1 70 70 ARG CD C 13 43.69 0.20 . . . . . . A 317 ARG CD . 30969 1 856 . 1 . 1 70 70 ARG N N 15 111.96 0.30 . . . . . . A 317 ARG N . 30969 1 857 . 1 . 1 71 71 GLY H H 1 7.66 0.03 . . . . . . A 318 GLY H . 30969 1 858 . 1 . 1 71 71 GLY HA2 H 1 4.27 0.03 . . . . . . A 318 GLY HA2 . 30969 1 859 . 1 . 1 71 71 GLY HA3 H 1 4.19 0.03 . . . . . . A 318 GLY HA3 . 30969 1 860 . 1 . 1 71 71 GLY C C 13 173.88 0.20 . . . . . . A 318 GLY C . 30969 1 861 . 1 . 1 71 71 GLY CA C 13 46.05 0.20 . . . . . . A 318 GLY CA . 30969 1 862 . 1 . 1 71 71 GLY N N 15 105.94 0.30 . . . . . . A 318 GLY N . 30969 1 863 . 1 . 1 72 72 LEU H H 1 7.87 0.03 . . . . . . A 319 LEU H . 30969 1 864 . 1 . 1 72 72 LEU HA H 1 3.86 0.03 . . . . . . A 319 LEU HA . 30969 1 865 . 1 . 1 72 72 LEU HB2 H 1 1.35 0.03 . . . . . . A 319 LEU HB2 . 30969 1 866 . 1 . 1 72 72 LEU HB3 H 1 1.50 0.03 . . . . . . A 319 LEU HB3 . 30969 1 867 . 1 . 1 72 72 LEU HG H 1 1.31 0.03 . . . . . . A 319 LEU HG . 30969 1 868 . 1 . 1 72 72 LEU HD11 H 1 0.88 0.03 . . . . . . A 319 LEU HD11 . 30969 1 869 . 1 . 1 72 72 LEU HD12 H 1 0.88 0.03 . . . . . . A 319 LEU HD12 . 30969 1 870 . 1 . 1 72 72 LEU HD13 H 1 0.88 0.03 . . . . . . A 319 LEU HD13 . 30969 1 871 . 1 . 1 72 72 LEU HD21 H 1 0.80 0.03 . . . . . . A 319 LEU HD21 . 30969 1 872 . 1 . 1 72 72 LEU HD22 H 1 0.80 0.03 . . . . . . A 319 LEU HD22 . 30969 1 873 . 1 . 1 72 72 LEU HD23 H 1 0.80 0.03 . . . . . . A 319 LEU HD23 . 30969 1 874 . 1 . 1 72 72 LEU C C 13 176.90 0.20 . . . . . . A 319 LEU C . 30969 1 875 . 1 . 1 72 72 LEU CA C 13 57.63 0.20 . . . . . . A 319 LEU CA . 30969 1 876 . 1 . 1 72 72 LEU CB C 13 42.49 0.20 . . . . . . A 319 LEU CB . 30969 1 877 . 1 . 1 72 72 LEU CG C 13 27.70 0.20 . . . . . . A 319 LEU CG . 30969 1 878 . 1 . 1 72 72 LEU CD1 C 13 24.87 0.20 . . . . . . A 319 LEU CD1 . 30969 1 879 . 1 . 1 72 72 LEU CD2 C 13 24.21 0.20 . . . . . . A 319 LEU CD2 . 30969 1 880 . 1 . 1 72 72 LEU N N 15 119.66 0.30 . . . . . . A 319 LEU N . 30969 1 881 . 1 . 1 73 73 PHE H H 1 6.74 0.03 . . . . . . A 320 PHE H . 30969 1 882 . 1 . 1 73 73 PHE HA H 1 4.97 0.03 . . . . . . A 320 PHE HA . 30969 1 883 . 1 . 1 73 73 PHE HB2 H 1 1.99 0.03 . . . . . . A 320 PHE HB2 . 30969 1 884 . 1 . 1 73 73 PHE HB3 H 1 2.61 0.03 . . . . . . A 320 PHE HB3 . 30969 1 885 . 1 . 1 73 73 PHE HD1 H 1 6.80 0.03 . . . . . . A 320 PHE HD1 . 30969 1 886 . 1 . 1 73 73 PHE HE1 H 1 7.20 0.03 . . . . . . A 320 PHE HE1 . 30969 1 887 . 1 . 1 73 73 PHE C C 13 174.04 0.20 . . . . . . A 320 PHE C . 30969 1 888 . 1 . 1 73 73 PHE CA C 13 56.16 0.20 . . . . . . A 320 PHE CA . 30969 1 889 . 1 . 1 73 73 PHE CB C 13 44.12 0.20 . . . . . . A 320 PHE CB . 30969 1 890 . 1 . 1 73 73 PHE CD1 C 13 131.58 0.20 . . . . . . A 320 PHE CD1 . 30969 1 891 . 1 . 1 73 73 PHE CE1 C 13 131.21 0.20 . . . . . . A 320 PHE CE1 . 30969 1 892 . 1 . 1 73 73 PHE N N 15 110.03 0.30 . . . . . . A 320 PHE N . 30969 1 893 . 1 . 1 74 74 VAL H H 1 8.96 0.03 . . . . . . A 321 VAL H . 30969 1 894 . 1 . 1 74 74 VAL HA H 1 3.70 0.03 . . . . . . A 321 VAL HA . 30969 1 895 . 1 . 1 74 74 VAL HB H 1 1.71 0.03 . . . . . . A 321 VAL HB . 30969 1 896 . 1 . 1 74 74 VAL HG11 H 1 0.75 0.03 . . . . . . A 321 VAL HG11 . 30969 1 897 . 1 . 1 74 74 VAL HG12 H 1 0.75 0.03 . . . . . . A 321 VAL HG12 . 30969 1 898 . 1 . 1 74 74 VAL HG13 H 1 0.75 0.03 . . . . . . A 321 VAL HG13 . 30969 1 899 . 1 . 1 74 74 VAL HG21 H 1 0.65 0.03 . . . . . . A 321 VAL HG21 . 30969 1 900 . 1 . 1 74 74 VAL HG22 H 1 0.65 0.03 . . . . . . A 321 VAL HG22 . 30969 1 901 . 1 . 1 74 74 VAL HG23 H 1 0.65 0.03 . . . . . . A 321 VAL HG23 . 30969 1 902 . 1 . 1 74 74 VAL C C 13 174.47 0.20 . . . . . . A 321 VAL C . 30969 1 903 . 1 . 1 74 74 VAL CA C 13 61.82 0.20 . . . . . . A 321 VAL CA . 30969 1 904 . 1 . 1 74 74 VAL CB C 13 35.90 0.20 . . . . . . A 321 VAL CB . 30969 1 905 . 1 . 1 74 74 VAL CG1 C 13 20.55 0.20 . . . . . . A 321 VAL CG1 . 30969 1 906 . 1 . 1 74 74 VAL CG2 C 13 20.66 0.20 . . . . . . A 321 VAL CG2 . 30969 1 907 . 1 . 1 74 74 VAL N N 15 122.56 0.30 . . . . . . A 321 VAL N . 30969 1 908 . 1 . 1 75 75 ILE H H 1 5.87 0.03 . . . . . . A 322 ILE H . 30969 1 909 . 1 . 1 75 75 ILE HA H 1 4.94 0.03 . . . . . . A 322 ILE HA . 30969 1 910 . 1 . 1 75 75 ILE HB H 1 0.91 0.03 . . . . . . A 322 ILE HB . 30969 1 911 . 1 . 1 75 75 ILE HG12 H 1 0.11 0.03 . . . . . . A 322 ILE HG12 . 30969 1 912 . 1 . 1 75 75 ILE HG13 H 1 0.68 0.03 . . . . . . A 322 ILE HG13 . 30969 1 913 . 1 . 1 75 75 ILE HG21 H 1 0.11 0.03 . . . . . . A 322 ILE HG21 . 30969 1 914 . 1 . 1 75 75 ILE HG22 H 1 0.11 0.03 . . . . . . A 322 ILE HG22 . 30969 1 915 . 1 . 1 75 75 ILE HG23 H 1 0.11 0.03 . . . . . . A 322 ILE HG23 . 30969 1 916 . 1 . 1 75 75 ILE HD11 H 1 -0.27 0.03 . . . . . . A 322 ILE HD11 . 30969 1 917 . 1 . 1 75 75 ILE HD12 H 1 -0.27 0.03 . . . . . . A 322 ILE HD12 . 30969 1 918 . 1 . 1 75 75 ILE HD13 H 1 -0.27 0.03 . . . . . . A 322 ILE HD13 . 30969 1 919 . 1 . 1 75 75 ILE C C 13 173.82 0.20 . . . . . . A 322 ILE C . 30969 1 920 . 1 . 1 75 75 ILE CA C 13 59.59 0.20 . . . . . . A 322 ILE CA . 30969 1 921 . 1 . 1 75 75 ILE CB C 13 40.83 0.20 . . . . . . A 322 ILE CB . 30969 1 922 . 1 . 1 75 75 ILE CG1 C 13 27.23 0.20 . . . . . . A 322 ILE CG1 . 30969 1 923 . 1 . 1 75 75 ILE CG2 C 13 16.97 0.20 . . . . . . A 322 ILE CG2 . 30969 1 924 . 1 . 1 75 75 ILE CD1 C 13 13.36 0.20 . . . . . . A 322 ILE CD1 . 30969 1 925 . 1 . 1 75 75 ILE N N 15 121.32 0.30 . . . . . . A 322 ILE N . 30969 1 926 . 1 . 1 76 76 ARG H H 1 8.34 0.03 . . . . . . A 323 ARG H . 30969 1 927 . 1 . 1 76 76 ARG HA H 1 4.95 0.03 . . . . . . A 323 ARG HA . 30969 1 928 . 1 . 1 76 76 ARG HB2 H 1 1.76 0.03 . . . . . . A 323 ARG HB2 . 30969 1 929 . 1 . 1 76 76 ARG HB3 H 1 2.04 0.03 . . . . . . A 323 ARG HB3 . 30969 1 930 . 1 . 1 76 76 ARG HG2 H 1 1.57 0.03 . . . . . . A 323 ARG HG2 . 30969 1 931 . 1 . 1 76 76 ARG HG3 H 1 1.63 0.03 . . . . . . A 323 ARG HG3 . 30969 1 932 . 1 . 1 76 76 ARG HD2 H 1 3.09 0.03 . . . . . . A 323 ARG HD2 . 30969 1 933 . 1 . 1 76 76 ARG HD3 H 1 3.22 0.03 . . . . . . A 323 ARG HD3 . 30969 1 934 . 1 . 1 76 76 ARG HE H 1 7.78 0.03 . . . . . . A 323 ARG HE . 30969 1 935 . 1 . 1 76 76 ARG C C 13 175.64 0.20 . . . . . . A 323 ARG C . 30969 1 936 . 1 . 1 76 76 ARG CA C 13 54.08 0.20 . . . . . . A 323 ARG CA . 30969 1 937 . 1 . 1 76 76 ARG CB C 13 34.62 0.20 . . . . . . A 323 ARG CB . 30969 1 938 . 1 . 1 76 76 ARG CG C 13 27.79 0.20 . . . . . . A 323 ARG CG . 30969 1 939 . 1 . 1 76 76 ARG CD C 13 43.23 0.20 . . . . . . A 323 ARG CD . 30969 1 940 . 1 . 1 76 76 ARG N N 15 119.92 0.30 . . . . . . A 323 ARG N . 30969 1 941 . 1 . 1 76 76 ARG NE N 15 85.25 0.30 . . . . . . A 323 ARG NE . 30969 1 942 . 1 . 1 77 77 ARG H H 1 8.93 0.03 . . . . . . A 324 ARG H . 30969 1 943 . 1 . 1 77 77 ARG HA H 1 4.32 0.03 . . . . . . A 324 ARG HA . 30969 1 944 . 1 . 1 77 77 ARG HB3 H 1 1.96 0.03 . . . . . . A 324 ARG HB3 . 30969 1 945 . 1 . 1 77 77 ARG HG2 H 1 1.70 0.03 . . . . . . A 324 ARG HG2 . 30969 1 946 . 1 . 1 77 77 ARG HG3 H 1 1.84 0.03 . . . . . . A 324 ARG HG3 . 30969 1 947 . 1 . 1 77 77 ARG HD3 H 1 3.19 0.03 . . . . . . A 324 ARG HD3 . 30969 1 948 . 1 . 1 77 77 ARG C C 13 174.51 0.20 . . . . . . A 324 ARG C . 30969 1 949 . 1 . 1 77 77 ARG CA C 13 58.26 0.20 . . . . . . A 324 ARG CA . 30969 1 950 . 1 . 1 77 77 ARG CB C 13 31.32 0.20 . . . . . . A 324 ARG CB . 30969 1 951 . 1 . 1 77 77 ARG CG C 13 27.91 0.20 . . . . . . A 324 ARG CG . 30969 1 952 . 1 . 1 77 77 ARG CD C 13 43.74 0.20 . . . . . . A 324 ARG CD . 30969 1 953 . 1 . 1 77 77 ARG N N 15 121.17 0.30 . . . . . . A 324 ARG N . 30969 1 954 . 1 . 1 78 78 ARG H H 1 7.74 0.03 . . . . . . A 325 ARG H . 30969 1 955 . 1 . 1 78 78 ARG HA H 1 4.50 0.03 . . . . . . A 325 ARG HA . 30969 1 956 . 1 . 1 78 78 ARG HB2 H 1 0.76 0.03 . . . . . . A 325 ARG HB2 . 30969 1 957 . 1 . 1 78 78 ARG HB3 H 1 1.18 0.03 . . . . . . A 325 ARG HB3 . 30969 1 958 . 1 . 1 78 78 ARG HG2 H 1 1.00 0.03 . . . . . . A 325 ARG HG2 . 30969 1 959 . 1 . 1 78 78 ARG HG3 H 1 1.20 0.03 . . . . . . A 325 ARG HG3 . 30969 1 960 . 1 . 1 78 78 ARG HD2 H 1 1.51 0.03 . . . . . . A 325 ARG HD2 . 30969 1 961 . 1 . 1 78 78 ARG HD3 H 1 2.89 0.03 . . . . . . A 325 ARG HD3 . 30969 1 962 . 1 . 1 78 78 ARG CA C 13 55.44 0.20 . . . . . . A 325 ARG CA . 30969 1 963 . 1 . 1 78 78 ARG CB C 13 33.29 0.20 . . . . . . A 325 ARG CB . 30969 1 964 . 1 . 1 78 78 ARG CG C 13 27.13 0.20 . . . . . . A 325 ARG CG . 30969 1 965 . 1 . 1 78 78 ARG CD C 13 43.87 0.20 . . . . . . A 325 ARG CD . 30969 1 966 . 1 . 1 78 78 ARG N N 15 122.82 0.30 . . . . . . A 325 ARG N . 30969 1 967 . 1 . 1 79 79 SER H H 1 7.99 0.03 . . . . . . A 326 SER H . 30969 1 968 . 1 . 1 79 79 SER HA H 1 4.23 0.03 . . . . . . A 326 SER HA . 30969 1 969 . 1 . 1 79 79 SER HB3 H 1 3.82 0.03 . . . . . . A 326 SER HB3 . 30969 1 970 . 1 . 1 79 79 SER CA C 13 59.98 0.20 . . . . . . A 326 SER CA . 30969 1 971 . 1 . 1 79 79 SER CB C 13 65.02 0.20 . . . . . . A 326 SER CB . 30969 1 972 . 1 . 1 79 79 SER N N 15 124.44 0.30 . . . . . . A 326 SER N . 30969 1 stop_ save_