data_17358 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17358 _Entry.Title ; Solution structure of the third Immunoglobulin-like domain of nectin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-13 _Entry.Accession_date 2010-12-13 _Entry.Last_release_date 2012-02-15 _Entry.Original_release_date 2012-02-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ole Clausen . . . 17358 2 Flemming Poulsen . M. . 17358 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17358 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cellular adhesion molecule' . 17358 immunoglobulin . 17358 nectin . 17358 nmr . 17358 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17358 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 170 17358 '15N chemical shifts' 84 17358 '1H chemical shifts' 373 17358 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-02-15 2010-12-13 original author . 17358 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L7J 'BMRB Entry Tracking System' 17358 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17358 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the third Immunoglobulin-like domain of nectin-1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ole Clausen . . . 17358 1 2 Flemming Poulsen . M. . 17358 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17358 _Assembly.ID 1 _Assembly.Name nectin-1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 nectin-1 1 $entity A . yes native no no . . . 17358 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 17358 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; LNVQYEPEVTIEGFDGNWYL QRTDVKLTCKADANPPATEY HWTTLNGSLPKGVEAQNRTL FFRGPITYSLAGTYICEATN PIGTRSGQVEVNITH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10599.844 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L7J . "Solution Structure Of The Third Immunoglobulin-Like Domain Of Nectin-1" . . . . . 100.00 95 100.00 100.00 1.86e-63 . . . . 17358 1 2 no GB AAF60333 . "nectin-1 delta [Mus musculus]" . . . . . 98.95 515 100.00 100.00 2.56e-58 . . . . 17358 1 3 no GB AAF76195 . "nectin-1 alpha [Mus musculus]" . . . . . 98.95 516 100.00 100.00 2.55e-58 . . . . 17358 1 4 no GB AAG22808 . "nectin-1 [Mus musculus]" . . . . . 98.95 515 100.00 100.00 2.56e-58 . . . . 17358 1 5 no GB AAG30283 . "herpesvirus entry mediator C [Mesocricetus auratus]" . . . . . 100.00 295 97.89 97.89 6.95e-60 . . . . 17358 1 6 no GB AAH60694 . "Poliovirus receptor-related 1 [Mus musculus]" . . . . . 98.95 515 100.00 100.00 2.64e-58 . . . . 17358 1 7 no REF NP_001093946 . "poliovirus receptor-related protein 1 precursor [Rattus norvegicus]" . . . . . 98.95 515 98.94 98.94 1.26e-57 . . . . 17358 1 8 no REF NP_067399 . "nectin-1 precursor [Mus musculus]" . . . . . 98.95 515 100.00 100.00 2.64e-58 . . . . 17358 1 9 no REF XP_003513871 . "PREDICTED: poliovirus receptor-related protein 1 [Cricetulus griseus]" . . . . . 98.95 546 98.94 98.94 2.38e-57 . . . . 17358 1 10 no REF XP_004667415 . "PREDICTED: nectin-1 [Jaculus jaculus]" . . . . . 98.95 515 97.87 98.94 1.59e-57 . . . . 17358 1 11 no REF XP_005069470 . "PREDICTED: nectin-1 [Mesocricetus auratus]" . . . . . 98.95 521 98.94 98.94 6.13e-58 . . . . 17358 1 12 no SP Q9JKF6 . "RecName: Full=Nectin-1; AltName: Full=Herpes virus entry mediator C; Short=Herpesvirus entry mediator C; Short=HveC; AltName: F" . . . . . 98.95 515 100.00 100.00 2.64e-58 . . . . 17358 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 1 241 LEU . 17358 1 2 242 ASN . 17358 1 3 243 VAL . 17358 1 4 244 GLN . 17358 1 5 245 TYR . 17358 1 6 246 GLU . 17358 1 7 247 PRO . 17358 1 8 248 GLU . 17358 1 9 249 VAL . 17358 1 10 250 THR . 17358 1 11 251 ILE . 17358 1 12 252 GLU . 17358 1 13 253 GLY . 17358 1 14 254 PHE . 17358 1 15 255 ASP . 17358 1 16 256 GLY . 17358 1 17 257 ASN . 17358 1 18 258 TRP . 17358 1 19 259 TYR . 17358 1 20 260 LEU . 17358 1 21 261 GLN . 17358 1 22 262 ARG . 17358 1 23 263 THR . 17358 1 24 264 ASP . 17358 1 25 265 VAL . 17358 1 26 266 LYS . 17358 1 27 267 LEU . 17358 1 28 268 THR . 17358 1 29 269 CYS . 17358 1 30 270 LYS . 17358 1 31 271 ALA . 17358 1 32 272 ASP . 17358 1 33 273 ALA . 17358 1 34 274 ASN . 17358 1 35 275 PRO . 17358 1 36 276 PRO . 17358 1 37 277 ALA . 17358 1 38 278 THR . 17358 1 39 279 GLU . 17358 1 40 280 TYR . 17358 1 41 281 HIS . 17358 1 42 282 TRP . 17358 1 43 283 THR . 17358 1 44 284 THR . 17358 1 45 285 LEU . 17358 1 46 286 ASN . 17358 1 47 287 GLY . 17358 1 48 288 SER . 17358 1 49 289 LEU . 17358 1 50 290 PRO . 17358 1 51 291 LYS . 17358 1 52 292 GLY . 17358 1 53 293 VAL . 17358 1 54 294 GLU . 17358 1 55 295 ALA . 17358 1 56 296 GLN . 17358 1 57 297 ASN . 17358 1 58 298 ARG . 17358 1 59 299 THR . 17358 1 60 300 LEU . 17358 1 61 301 PHE . 17358 1 62 302 PHE . 17358 1 63 303 ARG . 17358 1 64 304 GLY . 17358 1 65 305 PRO . 17358 1 66 306 ILE . 17358 1 67 307 THR . 17358 1 68 308 TYR . 17358 1 69 309 SER . 17358 1 70 310 LEU . 17358 1 71 311 ALA . 17358 1 72 312 GLY . 17358 1 73 313 THR . 17358 1 74 314 TYR . 17358 1 75 315 ILE . 17358 1 76 316 CYS . 17358 1 77 317 GLU . 17358 1 78 318 ALA . 17358 1 79 319 THR . 17358 1 80 320 ASN . 17358 1 81 321 PRO . 17358 1 82 322 ILE . 17358 1 83 323 GLY . 17358 1 84 324 THR . 17358 1 85 325 ARG . 17358 1 86 326 SER . 17358 1 87 327 GLY . 17358 1 88 328 GLN . 17358 1 89 329 VAL . 17358 1 90 330 GLU . 17358 1 91 331 VAL . 17358 1 92 332 ASN . 17358 1 93 333 ILE . 17358 1 94 334 THR . 17358 1 95 335 HIS . 17358 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 . LEU 1 1 17358 1 . ASN 2 2 17358 1 . VAL 3 3 17358 1 . GLN 4 4 17358 1 . TYR 5 5 17358 1 . GLU 6 6 17358 1 . PRO 7 7 17358 1 . GLU 8 8 17358 1 . VAL 9 9 17358 1 . THR 10 10 17358 1 . ILE 11 11 17358 1 . GLU 12 12 17358 1 . GLY 13 13 17358 1 . PHE 14 14 17358 1 . ASP 15 15 17358 1 . GLY 16 16 17358 1 . ASN 17 17 17358 1 . TRP 18 18 17358 1 . TYR 19 19 17358 1 . LEU 20 20 17358 1 . GLN 21 21 17358 1 . ARG 22 22 17358 1 . THR 23 23 17358 1 . ASP 24 24 17358 1 . VAL 25 25 17358 1 . LYS 26 26 17358 1 . LEU 27 27 17358 1 . THR 28 28 17358 1 . CYS 29 29 17358 1 . LYS 30 30 17358 1 . ALA 31 31 17358 1 . ASP 32 32 17358 1 . ALA 33 33 17358 1 . ASN 34 34 17358 1 . PRO 35 35 17358 1 . PRO 36 36 17358 1 . ALA 37 37 17358 1 . THR 38 38 17358 1 . GLU 39 39 17358 1 . TYR 40 40 17358 1 . HIS 41 41 17358 1 . TRP 42 42 17358 1 . THR 43 43 17358 1 . THR 44 44 17358 1 . LEU 45 45 17358 1 . ASN 46 46 17358 1 . GLY 47 47 17358 1 . SER 48 48 17358 1 . LEU 49 49 17358 1 . PRO 50 50 17358 1 . LYS 51 51 17358 1 . GLY 52 52 17358 1 . VAL 53 53 17358 1 . GLU 54 54 17358 1 . ALA 55 55 17358 1 . GLN 56 56 17358 1 . ASN 57 57 17358 1 . ARG 58 58 17358 1 . THR 59 59 17358 1 . LEU 60 60 17358 1 . PHE 61 61 17358 1 . PHE 62 62 17358 1 . ARG 63 63 17358 1 . GLY 64 64 17358 1 . PRO 65 65 17358 1 . ILE 66 66 17358 1 . THR 67 67 17358 1 . TYR 68 68 17358 1 . SER 69 69 17358 1 . LEU 70 70 17358 1 . ALA 71 71 17358 1 . GLY 72 72 17358 1 . THR 73 73 17358 1 . TYR 74 74 17358 1 . ILE 75 75 17358 1 . CYS 76 76 17358 1 . GLU 77 77 17358 1 . ALA 78 78 17358 1 . THR 79 79 17358 1 . ASN 80 80 17358 1 . PRO 81 81 17358 1 . ILE 82 82 17358 1 . GLY 83 83 17358 1 . THR 84 84 17358 1 . ARG 85 85 17358 1 . SER 86 86 17358 1 . GLY 87 87 17358 1 . GLN 88 88 17358 1 . VAL 89 89 17358 1 . GLU 90 90 17358 1 . VAL 91 91 17358 1 . ASN 92 92 17358 1 . ILE 93 93 17358 1 . THR 94 94 17358 1 . HIS 95 95 17358 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 17358 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus C57BL/6 . . . . . . . . . . . . . . . Pvrl1 . . . . 17358 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 17358 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris KM71H . . . . . . . . . . . . . . . pPICZalpha . . . . . . 17358 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17358 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 nectin-1 '[U-13C; U-15N]' . . 1 $entity . . 1.0 . . mM . . . . 17358 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 17358 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17358 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 17358 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17358 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 . M 17358 1 pH 6.5 . pH 17358 1 pressure 1 . atm 17358 1 temperature 298 . K 17358 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17358 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17358 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17358 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17358 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17358 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17358 2 stop_ save_ save_PRONTO _Software.Sf_category software _Software.Sf_framecode PRONTO _Software.Entry_ID 17358 _Software.ID 3 _Software.Name PRONTO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kjur, Andersen and Poulsen' . . 17358 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17358 3 'peak picking' 17358 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17358 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17358 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17358 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17358 _Software.ID 5 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17358 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17358 5 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17358 _Software.ID 6 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17358 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17358 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17358 _Software.ID 7 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17358 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17358 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17358 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 17358 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 17358 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 17358 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17358 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17358 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 17358 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 17358 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 17358 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17358 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17358 1 2 '3D HNCO' . . . 17358 1 3 '3D HNCA' . . . 17358 1 4 '3D HN(CO)CA' . . . 17358 1 5 '3D HNCACB' . . . 17358 1 6 '3D HBHA(CO)NH' . . . 17358 1 7 '3D H(CCO)NH' . . . 17358 1 8 '3D HCCH-TOCSY' . . . 17358 1 9 '3D 1H-15N TOCSY' . . . 17358 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU H H 1 8.28 . . 1 . . . . 241 LEU H . 17358 1 2 . 1 1 1 1 LEU CA C 13 55.46 . . 1 . . . . 241 LEU CA . 17358 1 3 . 1 1 1 1 LEU CB C 13 42.47 . . 1 . . . . 241 LEU CB . 17358 1 4 . 1 1 1 1 LEU N N 15 122.78 . . 1 . . . . 241 LEU N . 17358 1 5 . 1 1 2 2 ASN H H 1 8.51 . . 1 . . . . 242 ASN H . 17358 1 6 . 1 1 2 2 ASN HA H 1 4.18 . . 1 . . . . 242 ASN HA . 17358 1 7 . 1 1 2 2 ASN HB2 H 1 1.92 . . 1 . . . . 242 ASN HB2 . 17358 1 8 . 1 1 2 2 ASN CA C 13 53.15 . . 1 . . . . 242 ASN CA . 17358 1 9 . 1 1 2 2 ASN CB C 13 38.66 . . 1 . . . . 242 ASN CB . 17358 1 10 . 1 1 2 2 ASN N N 15 120.24 . . 1 . . . . 242 ASN N . 17358 1 11 . 1 1 3 3 VAL H H 1 7.93 . . 1 . . . . 243 VAL H . 17358 1 12 . 1 1 3 3 VAL HA H 1 4.11 . . 1 . . . . 243 VAL HA . 17358 1 13 . 1 1 3 3 VAL HB H 1 2.12 . . 1 . . . . 243 VAL HB . 17358 1 14 . 1 1 3 3 VAL HG11 H 1 0.96 . . 2 . . . . 243 VAL HG1 . 17358 1 15 . 1 1 3 3 VAL HG12 H 1 0.96 . . 2 . . . . 243 VAL HG1 . 17358 1 16 . 1 1 3 3 VAL HG13 H 1 0.96 . . 2 . . . . 243 VAL HG1 . 17358 1 17 . 1 1 3 3 VAL CA C 13 62.52 . . 1 . . . . 243 VAL CA . 17358 1 18 . 1 1 3 3 VAL CB C 13 32.98 . . 1 . . . . 243 VAL CB . 17358 1 19 . 1 1 3 3 VAL N N 15 120.11 . . 1 . . . . 243 VAL N . 17358 1 20 . 1 1 4 4 GLN H H 1 8.44 . . 1 . . . . 244 GLN H . 17358 1 21 . 1 1 4 4 GLN HA H 1 4.42 . . 1 . . . . 244 GLN HA . 17358 1 22 . 1 1 4 4 GLN HB3 H 1 1.91 . . 1 . . . . 244 GLN HB3 . 17358 1 23 . 1 1 4 4 GLN CA C 13 55.53 . . 1 . . . . 244 GLN CA . 17358 1 24 . 1 1 4 4 GLN CB C 13 29.98 . . 1 . . . . 244 GLN CB . 17358 1 25 . 1 1 4 4 GLN N N 15 123.75 . . 1 . . . . 244 GLN N . 17358 1 26 . 1 1 5 5 TYR H H 1 8.97 . . 1 . . . . 245 TYR H . 17358 1 27 . 1 1 5 5 TYR HA H 1 4.79 . . 1 . . . . 245 TYR HA . 17358 1 28 . 1 1 5 5 TYR HB2 H 1 3.05 . . 2 . . . . 245 TYR HB2 . 17358 1 29 . 1 1 5 5 TYR HB3 H 1 3.18 . . 2 . . . . 245 TYR HB3 . 17358 1 30 . 1 1 5 5 TYR CA C 13 56.60 . . 1 . . . . 245 TYR CA . 17358 1 31 . 1 1 5 5 TYR CB C 13 39.12 . . 1 . . . . 245 TYR CB . 17358 1 32 . 1 1 5 5 TYR N N 15 117.55 . . 1 . . . . 245 TYR N . 17358 1 33 . 1 1 6 6 GLU H H 1 9.20 . . 1 . . . . 246 GLU H . 17358 1 34 . 1 1 6 6 GLU HA H 1 4.31 . . 1 . . . . 246 GLU HA . 17358 1 35 . 1 1 6 6 GLU HB2 H 1 1.78 . . 1 . . . . 246 GLU HB2 . 17358 1 36 . 1 1 6 6 GLU HG3 H 1 2.17 . . 2 . . . . 246 GLU HG3 . 17358 1 37 . 1 1 6 6 GLU CA C 13 54.92 . . 1 . . . . 246 GLU CA . 17358 1 38 . 1 1 6 6 GLU CB C 13 27.72 . . 1 . . . . 246 GLU CB . 17358 1 39 . 1 1 6 6 GLU N N 15 121.01 . . 1 . . . . 246 GLU N . 17358 1 40 . 1 1 7 7 PRO CA C 13 63.25 . . 1 . . . . 247 PRO CA . 17358 1 41 . 1 1 7 7 PRO CB C 13 33.12 . . 1 . . . . 247 PRO CB . 17358 1 42 . 1 1 8 8 GLU H H 1 8.88 . . 1 . . . . 248 GLU H . 17358 1 43 . 1 1 8 8 GLU HA H 1 4.52 . . 1 . . . . 248 GLU HA . 17358 1 44 . 1 1 8 8 GLU HB2 H 1 2.07 . . 1 . . . . 248 GLU HB2 . 17358 1 45 . 1 1 8 8 GLU HG3 H 1 2.26 . . 2 . . . . 248 GLU HG3 . 17358 1 46 . 1 1 8 8 GLU CA C 13 55.52 . . 1 . . . . 248 GLU CA . 17358 1 47 . 1 1 8 8 GLU CB C 13 30.71 . . 1 . . . . 248 GLU CB . 17358 1 48 . 1 1 8 8 GLU N N 15 122.83 . . 1 . . . . 248 GLU N . 17358 1 49 . 1 1 9 9 VAL H H 1 8.89 . . 1 . . . . 249 VAL H . 17358 1 50 . 1 1 9 9 VAL HA H 1 4.71 . . 1 . . . . 249 VAL HA . 17358 1 51 . 1 1 9 9 VAL HB H 1 1.55 . . 1 . . . . 249 VAL HB . 17358 1 52 . 1 1 9 9 VAL HG11 H 1 0.81 . . 1 . . . . 249 VAL HG1 . 17358 1 53 . 1 1 9 9 VAL HG12 H 1 0.81 . . 1 . . . . 249 VAL HG1 . 17358 1 54 . 1 1 9 9 VAL HG13 H 1 0.81 . . 1 . . . . 249 VAL HG1 . 17358 1 55 . 1 1 9 9 VAL CA C 13 63.14 . . 1 . . . . 249 VAL CA . 17358 1 56 . 1 1 9 9 VAL CB C 13 33.82 . . 1 . . . . 249 VAL CB . 17358 1 57 . 1 1 9 9 VAL N N 15 129.32 . . 1 . . . . 249 VAL N . 17358 1 58 . 1 1 10 10 THR H H 1 9.16 . . 1 . . . . 250 THR H . 17358 1 59 . 1 1 10 10 THR HA H 1 4.58 . . 1 . . . . 250 THR HA . 17358 1 60 . 1 1 10 10 THR HB H 1 4.06 . . 1 . . . . 250 THR HB . 17358 1 61 . 1 1 10 10 THR HG21 H 1 1.20 . . 1 . . . . 250 THR HG2 . 17358 1 62 . 1 1 10 10 THR HG22 H 1 1.20 . . 1 . . . . 250 THR HG2 . 17358 1 63 . 1 1 10 10 THR HG23 H 1 1.20 . . 1 . . . . 250 THR HG2 . 17358 1 64 . 1 1 10 10 THR CA C 13 60.84 . . 1 . . . . 250 THR CA . 17358 1 65 . 1 1 10 10 THR CB C 13 72.34 . . 1 . . . . 250 THR CB . 17358 1 66 . 1 1 10 10 THR N N 15 121.20 . . 1 . . . . 250 THR N . 17358 1 67 . 1 1 11 11 ILE H H 1 8.57 . . 1 . . . . 251 ILE H . 17358 1 68 . 1 1 11 11 ILE HA H 1 5.00 . . 1 . . . . 251 ILE HA . 17358 1 69 . 1 1 11 11 ILE HB H 1 1.63 . . 1 . . . . 251 ILE HB . 17358 1 70 . 1 1 11 11 ILE HG21 H 1 1.13 . . 1 . . . . 251 ILE HG2 . 17358 1 71 . 1 1 11 11 ILE HG22 H 1 1.13 . . 1 . . . . 251 ILE HG2 . 17358 1 72 . 1 1 11 11 ILE HG23 H 1 1.13 . . 1 . . . . 251 ILE HG2 . 17358 1 73 . 1 1 11 11 ILE CA C 13 60.07 . . 1 . . . . 251 ILE CA . 17358 1 74 . 1 1 11 11 ILE CB C 13 40.37 . . 1 . . . . 251 ILE CB . 17358 1 75 . 1 1 11 11 ILE N N 15 121.52 . . 1 . . . . 251 ILE N . 17358 1 76 . 1 1 12 12 GLU H H 1 9.19 . . 1 . . . . 252 GLU H . 17358 1 77 . 1 1 12 12 GLU HA H 1 4.87 . . 1 . . . . 252 GLU HA . 17358 1 78 . 1 1 12 12 GLU HB2 H 1 2.08 . . 1 . . . . 252 GLU HB2 . 17358 1 79 . 1 1 12 12 GLU HB3 H 1 1.92 . . 1 . . . . 252 GLU HB3 . 17358 1 80 . 1 1 12 12 GLU HG2 H 1 2.20 . . 1 . . . . 252 GLU HG2 . 17358 1 81 . 1 1 12 12 GLU CA C 13 54.76 . . 1 . . . . 252 GLU CA . 17358 1 82 . 1 1 12 12 GLU CB C 13 33.35 . . 1 . . . . 252 GLU CB . 17358 1 83 . 1 1 12 12 GLU N N 15 128.02 . . 1 . . . . 252 GLU N . 17358 1 84 . 1 1 14 14 PHE H H 1 8.60 . . 1 . . . . 254 PHE H . 17358 1 85 . 1 1 14 14 PHE HA H 1 4.50 . . 1 . . . . 254 PHE HA . 17358 1 86 . 1 1 14 14 PHE HB2 H 1 2.88 . . 2 . . . . 254 PHE HB2 . 17358 1 87 . 1 1 14 14 PHE HB3 H 1 2.21 . . 2 . . . . 254 PHE HB3 . 17358 1 88 . 1 1 14 14 PHE CA C 13 58.02 . . 1 . . . . 254 PHE CA . 17358 1 89 . 1 1 14 14 PHE CB C 13 38.36 . . 1 . . . . 254 PHE CB . 17358 1 90 . 1 1 14 14 PHE N N 15 121.75 . . 1 . . . . 254 PHE N . 17358 1 91 . 1 1 15 15 ASP H H 1 6.87 . . 1 . . . . 255 ASP H . 17358 1 92 . 1 1 15 15 ASP HA H 1 4.47 . . 1 . . . . 255 ASP HA . 17358 1 93 . 1 1 15 15 ASP CA C 13 52.71 . . 1 . . . . 255 ASP CA . 17358 1 94 . 1 1 15 15 ASP CB C 13 38.25 . . 1 . . . . 255 ASP CB . 17358 1 95 . 1 1 15 15 ASP N N 15 127.25 . . 1 . . . . 255 ASP N . 17358 1 96 . 1 1 17 17 ASN H H 1 8.29 . . 1 . . . . 257 ASN H . 17358 1 97 . 1 1 17 17 ASN HA H 1 5.04 . . 1 . . . . 257 ASN HA . 17358 1 98 . 1 1 17 17 ASN HB2 H 1 2.22 . . 1 . . . . 257 ASN HB2 . 17358 1 99 . 1 1 17 17 ASN HB3 H 1 2.81 . . 1 . . . . 257 ASN HB3 . 17358 1 100 . 1 1 17 17 ASN CA C 13 51.54 . . 1 . . . . 257 ASN CA . 17358 1 101 . 1 1 17 17 ASN CB C 13 39.24 . . 1 . . . . 257 ASN CB . 17358 1 102 . 1 1 17 17 ASN N N 15 119.50 . . 1 . . . . 257 ASN N . 17358 1 103 . 1 1 18 18 TRP H H 1 9.23 . . 1 . . . . 258 TRP H . 17358 1 104 . 1 1 18 18 TRP HA H 1 4.51 . . 1 . . . . 258 TRP HA . 17358 1 105 . 1 1 18 18 TRP HB3 H 1 3.36 . . 2 . . . . 258 TRP HB3 . 17358 1 106 . 1 1 18 18 TRP CA C 13 57.21 . . 1 . . . . 258 TRP CA . 17358 1 107 . 1 1 18 18 TRP CB C 13 26.96 . . 1 . . . . 258 TRP CB . 17358 1 108 . 1 1 18 18 TRP N N 15 127.67 . . 1 . . . . 258 TRP N . 17358 1 109 . 1 1 19 19 TYR H H 1 6.19 . . 1 . . . . 259 TYR H . 17358 1 110 . 1 1 19 19 TYR HA H 1 5.17 . . 1 . . . . 259 TYR HA . 17358 1 111 . 1 1 19 19 TYR HB2 H 1 2.46 . . 1 . . . . 259 TYR HB2 . 17358 1 112 . 1 1 19 19 TYR HB3 H 1 2.70 . . 1 . . . . 259 TYR HB3 . 17358 1 113 . 1 1 19 19 TYR CA C 13 53.01 . . 1 . . . . 259 TYR CA . 17358 1 114 . 1 1 19 19 TYR CB C 13 39.80 . . 1 . . . . 259 TYR CB . 17358 1 115 . 1 1 19 19 TYR N N 15 118.31 . . 1 . . . . 259 TYR N . 17358 1 116 . 1 1 20 20 LEU H H 1 7.74 . . 1 . . . . 260 LEU H . 17358 1 117 . 1 1 20 20 LEU HA H 1 3.54 . . 1 . . . . 260 LEU HA . 17358 1 118 . 1 1 20 20 LEU HB2 H 1 1.42 . . 1 . . . . 260 LEU HB2 . 17358 1 119 . 1 1 20 20 LEU HB3 H 1 1.65 . . 1 . . . . 260 LEU HB3 . 17358 1 120 . 1 1 20 20 LEU HD11 H 1 0.78 . . 2 . . . . 260 LEU HD1 . 17358 1 121 . 1 1 20 20 LEU HD12 H 1 0.78 . . 2 . . . . 260 LEU HD1 . 17358 1 122 . 1 1 20 20 LEU HD13 H 1 0.78 . . 2 . . . . 260 LEU HD1 . 17358 1 123 . 1 1 20 20 LEU CA C 13 56.32 . . 1 . . . . 260 LEU CA . 17358 1 124 . 1 1 20 20 LEU CB C 13 42.51 . . 1 . . . . 260 LEU CB . 17358 1 125 . 1 1 20 20 LEU N N 15 117.47 . . 1 . . . . 260 LEU N . 17358 1 126 . 1 1 21 21 GLN H H 1 8.47 . . 1 . . . . 261 GLN H . 17358 1 127 . 1 1 21 21 GLN HA H 1 3.63 . . 1 . . . . 261 GLN HA . 17358 1 128 . 1 1 21 21 GLN HB3 H 1 2.32 . . 2 . . . . 261 GLN HB3 . 17358 1 129 . 1 1 21 21 GLN CA C 13 58.34 . . 1 . . . . 261 GLN CA . 17358 1 130 . 1 1 21 21 GLN CB C 13 26.88 . . 1 . . . . 261 GLN CB . 17358 1 131 . 1 1 21 21 GLN N N 15 111.38 . . 1 . . . . 261 GLN N . 17358 1 132 . 1 1 22 22 ARG H H 1 8.01 . . 1 . . . . 262 ARG H . 17358 1 133 . 1 1 22 22 ARG HA H 1 3.86 . . 1 . . . . 262 ARG HA . 17358 1 134 . 1 1 22 22 ARG CA C 13 58.32 . . 1 . . . . 262 ARG CA . 17358 1 135 . 1 1 22 22 ARG CB C 13 29.37 . . 1 . . . . 262 ARG CB . 17358 1 136 . 1 1 22 22 ARG N N 15 123.04 . . 1 . . . . 262 ARG N . 17358 1 137 . 1 1 23 23 THR H H 1 7.92 . . 1 . . . . 263 THR H . 17358 1 138 . 1 1 23 23 THR HA H 1 4.68 . . 1 . . . . 263 THR HA . 17358 1 139 . 1 1 23 23 THR HB H 1 4.10 . . 1 . . . . 263 THR HB . 17358 1 140 . 1 1 23 23 THR HG21 H 1 1.01 . . 1 . . . . 263 THR HG2 . 17358 1 141 . 1 1 23 23 THR HG22 H 1 1.01 . . 1 . . . . 263 THR HG2 . 17358 1 142 . 1 1 23 23 THR HG23 H 1 1.01 . . 1 . . . . 263 THR HG2 . 17358 1 143 . 1 1 23 23 THR CA C 13 60.12 . . 1 . . . . 263 THR CA . 17358 1 144 . 1 1 23 23 THR CB C 13 71.52 . . 1 . . . . 263 THR CB . 17358 1 145 . 1 1 23 23 THR N N 15 114.27 . . 1 . . . . 263 THR N . 17358 1 146 . 1 1 24 24 ASP H H 1 8.69 . . 1 . . . . 264 ASP H . 17358 1 147 . 1 1 24 24 ASP HA H 1 4.39 . . 1 . . . . 264 ASP HA . 17358 1 148 . 1 1 24 24 ASP HB2 H 1 2.81 . . 1 . . . . 264 ASP HB2 . 17358 1 149 . 1 1 24 24 ASP HB3 H 1 2.69 . . 1 . . . . 264 ASP HB3 . 17358 1 150 . 1 1 24 24 ASP CA C 13 55.49 . . 1 . . . . 264 ASP CA . 17358 1 151 . 1 1 24 24 ASP N N 15 116.35 . . 1 . . . . 264 ASP N . 17358 1 152 . 1 1 25 25 VAL H H 1 7.24 . . 1 . . . . 265 VAL H . 17358 1 153 . 1 1 25 25 VAL HA H 1 4.19 . . 1 . . . . 265 VAL HA . 17358 1 154 . 1 1 25 25 VAL HB H 1 1.24 . . 1 . . . . 265 VAL HB . 17358 1 155 . 1 1 25 25 VAL HG11 H 1 -0.35 . . 2 . . . . 265 VAL HG1 . 17358 1 156 . 1 1 25 25 VAL HG12 H 1 -0.35 . . 2 . . . . 265 VAL HG1 . 17358 1 157 . 1 1 25 25 VAL HG13 H 1 -0.35 . . 2 . . . . 265 VAL HG1 . 17358 1 158 . 1 1 25 25 VAL HG21 H 1 -0.77 . . 2 . . . . 265 VAL HG2 . 17358 1 159 . 1 1 25 25 VAL HG22 H 1 -0.77 . . 2 . . . . 265 VAL HG2 . 17358 1 160 . 1 1 25 25 VAL HG23 H 1 -0.77 . . 2 . . . . 265 VAL HG2 . 17358 1 161 . 1 1 25 25 VAL CA C 13 60.80 . . 1 . . . . 265 VAL CA . 17358 1 162 . 1 1 25 25 VAL CB C 13 33.11 . . 1 . . . . 265 VAL CB . 17358 1 163 . 1 1 25 25 VAL N N 15 112.32 . . 1 . . . . 265 VAL N . 17358 1 164 . 1 1 26 26 LYS H H 1 8.12 . . 1 . . . . 266 LYS H . 17358 1 165 . 1 1 26 26 LYS HA H 1 5.23 . . 1 . . . . 266 LYS HA . 17358 1 166 . 1 1 26 26 LYS HB2 H 1 1.69 . . 1 . . . . 266 LYS HB2 . 17358 1 167 . 1 1 26 26 LYS HB3 H 1 1.28 . . 1 . . . . 266 LYS HB3 . 17358 1 168 . 1 1 26 26 LYS HG3 H 1 1.02 . . 2 . . . . 266 LYS HG3 . 17358 1 169 . 1 1 26 26 LYS CA C 13 55.19 . . 1 . . . . 266 LYS CA . 17358 1 170 . 1 1 26 26 LYS CB C 13 35.71 . . 1 . . . . 266 LYS CB . 17358 1 171 . 1 1 26 26 LYS N N 15 117.74 . . 1 . . . . 266 LYS N . 17358 1 172 . 1 1 27 27 LEU H H 1 8.55 . . 1 . . . . 267 LEU H . 17358 1 173 . 1 1 27 27 LEU HA H 1 5.42 . . 1 . . . . 267 LEU HA . 17358 1 174 . 1 1 27 27 LEU HB2 H 1 1.44 . . 1 . . . . 267 LEU HB2 . 17358 1 175 . 1 1 27 27 LEU HD11 H 1 0.57 . . 2 . . . . 267 LEU HD1 . 17358 1 176 . 1 1 27 27 LEU HD12 H 1 0.57 . . 2 . . . . 267 LEU HD1 . 17358 1 177 . 1 1 27 27 LEU HD13 H 1 0.57 . . 2 . . . . 267 LEU HD1 . 17358 1 178 . 1 1 27 27 LEU CA C 13 52.73 . . 1 . . . . 267 LEU CA . 17358 1 179 . 1 1 27 27 LEU CB C 13 45.79 . . 1 . . . . 267 LEU CB . 17358 1 180 . 1 1 27 27 LEU N N 15 117.68 . . 1 . . . . 267 LEU N . 17358 1 181 . 1 1 28 28 THR H H 1 9.23 . . 1 . . . . 268 THR H . 17358 1 182 . 1 1 28 28 THR HA H 1 5.05 . . 1 . . . . 268 THR HA . 17358 1 183 . 1 1 28 28 THR HB H 1 3.85 . . 1 . . . . 268 THR HB . 17358 1 184 . 1 1 28 28 THR HG21 H 1 1.07 . . 1 . . . . 268 THR HG2 . 17358 1 185 . 1 1 28 28 THR HG22 H 1 1.07 . . 1 . . . . 268 THR HG2 . 17358 1 186 . 1 1 28 28 THR HG23 H 1 1.07 . . 1 . . . . 268 THR HG2 . 17358 1 187 . 1 1 28 28 THR CA C 13 61.75 . . 1 . . . . 268 THR CA . 17358 1 188 . 1 1 28 28 THR CB C 13 70.97 . . 1 . . . . 268 THR CB . 17358 1 189 . 1 1 28 28 THR N N 15 115.53 . . 1 . . . . 268 THR N . 17358 1 190 . 1 1 29 29 CYS H H 1 9.50 . . 1 . . . . 269 CYS H . 17358 1 191 . 1 1 29 29 CYS HA H 1 4.74 . . 1 . . . . 269 CYS HA . 17358 1 192 . 1 1 29 29 CYS HB2 H 1 2.87 . . 1 . . . . 269 CYS HB2 . 17358 1 193 . 1 1 29 29 CYS HB3 H 1 3.28 . . 1 . . . . 269 CYS HB3 . 17358 1 194 . 1 1 29 29 CYS CA C 13 55.31 . . 1 . . . . 269 CYS CA . 17358 1 195 . 1 1 29 29 CYS CB C 13 42.28 . . 1 . . . . 269 CYS CB . 17358 1 196 . 1 1 29 29 CYS N N 15 127.63 . . 1 . . . . 269 CYS N . 17358 1 197 . 1 1 30 30 LYS H H 1 9.17 . . 1 . . . . 270 LYS H . 17358 1 198 . 1 1 30 30 LYS HA H 1 4.53 . . 1 . . . . 270 LYS HA . 17358 1 199 . 1 1 30 30 LYS HB2 H 1 1.66 . . 1 . . . . 270 LYS HB2 . 17358 1 200 . 1 1 30 30 LYS HB3 H 1 1.82 . . 1 . . . . 270 LYS HB3 . 17358 1 201 . 1 1 30 30 LYS HG3 H 1 1.25 . . 2 . . . . 270 LYS HG3 . 17358 1 202 . 1 1 30 30 LYS CA C 13 55.28 . . 1 . . . . 270 LYS CA . 17358 1 203 . 1 1 30 30 LYS CB C 13 33.83 . . 1 . . . . 270 LYS CB . 17358 1 204 . 1 1 30 30 LYS N N 15 127.91 . . 1 . . . . 270 LYS N . 17358 1 205 . 1 1 31 31 ALA H H 1 8.76 . . 1 . . . . 271 ALA H . 17358 1 206 . 1 1 31 31 ALA HA H 1 5.15 . . 1 . . . . 271 ALA HA . 17358 1 207 . 1 1 31 31 ALA HB1 H 1 1.09 . . 1 . . . . 271 ALA HB . 17358 1 208 . 1 1 31 31 ALA HB2 H 1 1.09 . . 1 . . . . 271 ALA HB . 17358 1 209 . 1 1 31 31 ALA HB3 H 1 1.09 . . 1 . . . . 271 ALA HB . 17358 1 210 . 1 1 31 31 ALA CA C 13 49.72 . . 1 . . . . 271 ALA CA . 17358 1 211 . 1 1 31 31 ALA CB C 13 21.48 . . 1 . . . . 271 ALA CB . 17358 1 212 . 1 1 31 31 ALA N N 15 125.52 . . 1 . . . . 271 ALA N . 17358 1 213 . 1 1 32 32 ASP H H 1 8.66 . . 1 . . . . 272 ASP H . 17358 1 214 . 1 1 32 32 ASP HA H 1 4.83 . . 1 . . . . 272 ASP HA . 17358 1 215 . 1 1 32 32 ASP HB2 H 1 2.72 . . 1 . . . . 272 ASP HB2 . 17358 1 216 . 1 1 32 32 ASP HB3 H 1 2.94 . . 1 . . . . 272 ASP HB3 . 17358 1 217 . 1 1 32 32 ASP CA C 13 53.57 . . 1 . . . . 272 ASP CA . 17358 1 218 . 1 1 32 32 ASP N N 15 126.60 . . 1 . . . . 272 ASP N . 17358 1 219 . 1 1 33 33 ALA H H 1 7.80 . . 1 . . . . 273 ALA H . 17358 1 220 . 1 1 33 33 ALA HA H 1 4.05 . . 1 . . . . 273 ALA HA . 17358 1 221 . 1 1 33 33 ALA HB1 H 1 1.10 . . 1 . . . . 273 ALA HB . 17358 1 222 . 1 1 33 33 ALA HB2 H 1 1.10 . . 1 . . . . 273 ALA HB . 17358 1 223 . 1 1 33 33 ALA HB3 H 1 1.10 . . 1 . . . . 273 ALA HB . 17358 1 224 . 1 1 33 33 ALA CA C 13 51.31 . . 1 . . . . 273 ALA CA . 17358 1 225 . 1 1 33 33 ALA CB C 13 22.75 . . 1 . . . . 273 ALA CB . 17358 1 226 . 1 1 33 33 ALA N N 15 127.28 . . 1 . . . . 273 ALA N . 17358 1 227 . 1 1 34 34 ASN H H 1 6.07 . . 1 . . . . 274 ASN H . 17358 1 228 . 1 1 34 34 ASN HA H 1 4.47 . . 1 . . . . 274 ASN HA . 17358 1 229 . 1 1 34 34 ASN HB2 H 1 2.25 . . 1 . . . . 274 ASN HB2 . 17358 1 230 . 1 1 34 34 ASN HB3 H 1 2.42 . . 1 . . . . 274 ASN HB3 . 17358 1 231 . 1 1 34 34 ASN CA C 13 50.48 . . 1 . . . . 274 ASN CA . 17358 1 232 . 1 1 34 34 ASN CB C 13 41.57 . . 1 . . . . 274 ASN CB . 17358 1 233 . 1 1 34 34 ASN N N 15 115.45 . . 1 . . . . 274 ASN N . 17358 1 234 . 1 1 36 36 PRO CA C 13 63.65 . . 1 . . . . 276 PRO CA . 17358 1 235 . 1 1 36 36 PRO CB C 13 32.10 . . 1 . . . . 276 PRO CB . 17358 1 236 . 1 1 37 37 ALA H H 1 8.60 . . 1 . . . . 277 ALA H . 17358 1 237 . 1 1 37 37 ALA HA H 1 4.10 . . 1 . . . . 277 ALA HA . 17358 1 238 . 1 1 37 37 ALA HB1 H 1 0.89 . . 1 . . . . 277 ALA HB . 17358 1 239 . 1 1 37 37 ALA HB2 H 1 0.89 . . 1 . . . . 277 ALA HB . 17358 1 240 . 1 1 37 37 ALA HB3 H 1 0.89 . . 1 . . . . 277 ALA HB . 17358 1 241 . 1 1 37 37 ALA CA C 13 52.39 . . 1 . . . . 277 ALA CA . 17358 1 242 . 1 1 37 37 ALA CB C 13 17.72 . . 1 . . . . 277 ALA CB . 17358 1 243 . 1 1 37 37 ALA N N 15 122.16 . . 1 . . . . 277 ALA N . 17358 1 244 . 1 1 38 38 THR H H 1 8.45 . . 1 . . . . 278 THR H . 17358 1 245 . 1 1 38 38 THR HA H 1 4.57 . . 1 . . . . 278 THR HA . 17358 1 246 . 1 1 38 38 THR HG21 H 1 1.18 . . 1 . . . . 278 THR HG2 . 17358 1 247 . 1 1 38 38 THR HG22 H 1 1.18 . . 1 . . . . 278 THR HG2 . 17358 1 248 . 1 1 38 38 THR HG23 H 1 1.18 . . 1 . . . . 278 THR HG2 . 17358 1 249 . 1 1 38 38 THR CA C 13 61.57 . . 1 . . . . 278 THR CA . 17358 1 250 . 1 1 38 38 THR CB C 13 69.83 . . 1 . . . . 278 THR CB . 17358 1 251 . 1 1 38 38 THR N N 15 111.37 . . 1 . . . . 278 THR N . 17358 1 252 . 1 1 39 39 GLU H H 1 7.04 . . 1 . . . . 279 GLU H . 17358 1 253 . 1 1 39 39 GLU HA H 1 4.84 . . 1 . . . . 279 GLU HA . 17358 1 254 . 1 1 39 39 GLU HB2 H 1 1.93 . . 2 . . . . 279 GLU HB2 . 17358 1 255 . 1 1 39 39 GLU HB3 H 1 1.75 . . 2 . . . . 279 GLU HB3 . 17358 1 256 . 1 1 39 39 GLU HG2 H 1 2.15 . . 1 . . . . 279 GLU HG2 . 17358 1 257 . 1 1 39 39 GLU CA C 13 55.37 . . 1 . . . . 279 GLU CA . 17358 1 258 . 1 1 39 39 GLU CB C 13 33.01 . . 1 . . . . 279 GLU CB . 17358 1 259 . 1 1 39 39 GLU N N 15 120.60 . . 1 . . . . 279 GLU N . 17358 1 260 . 1 1 40 40 TYR H H 1 8.61 . . 1 . . . . 280 TYR H . 17358 1 261 . 1 1 40 40 TYR HA H 1 4.98 . . 1 . . . . 280 TYR HA . 17358 1 262 . 1 1 40 40 TYR HB2 H 1 2.33 . . 1 . . . . 280 TYR HB2 . 17358 1 263 . 1 1 40 40 TYR HB3 H 1 2.57 . . 1 . . . . 280 TYR HB3 . 17358 1 264 . 1 1 40 40 TYR CA C 13 57.00 . . 1 . . . . 280 TYR CA . 17358 1 265 . 1 1 40 40 TYR CB C 13 41.75 . . 1 . . . . 280 TYR CB . 17358 1 266 . 1 1 40 40 TYR N N 15 121.43 . . 1 . . . . 280 TYR N . 17358 1 267 . 1 1 41 41 HIS H H 1 9.09 . . 1 . . . . 281 HIS H . 17358 1 268 . 1 1 41 41 HIS HA H 1 5.12 . . 1 . . . . 281 HIS HA . 17358 1 269 . 1 1 41 41 HIS HB3 H 1 2.98 . . 2 . . . . 281 HIS HB3 . 17358 1 270 . 1 1 41 41 HIS CA C 13 54.81 . . 1 . . . . 281 HIS CA . 17358 1 271 . 1 1 41 41 HIS CB C 13 33.18 . . 1 . . . . 281 HIS CB . 17358 1 272 . 1 1 41 41 HIS N N 15 123.15 . . 1 . . . . 281 HIS N . 17358 1 273 . 1 1 42 42 TRP H H 1 8.88 . . 1 . . . . 282 TRP H . 17358 1 274 . 1 1 42 42 TRP CA C 13 55.84 . . 1 . . . . 282 TRP CA . 17358 1 275 . 1 1 42 42 TRP CB C 13 33.07 . . 1 . . . . 282 TRP CB . 17358 1 276 . 1 1 42 42 TRP N N 15 126.20 . . 1 . . . . 282 TRP N . 17358 1 277 . 1 1 43 43 THR H H 1 9.29 . . 1 . . . . 283 THR H . 17358 1 278 . 1 1 43 43 THR HA H 1 4.42 . . 1 . . . . 283 THR HA . 17358 1 279 . 1 1 43 43 THR HB H 1 4.14 . . 1 . . . . 283 THR HB . 17358 1 280 . 1 1 43 43 THR HG21 H 1 1.18 . . 1 . . . . 283 THR HG2 . 17358 1 281 . 1 1 43 43 THR HG22 H 1 1.18 . . 1 . . . . 283 THR HG2 . 17358 1 282 . 1 1 43 43 THR HG23 H 1 1.18 . . 1 . . . . 283 THR HG2 . 17358 1 283 . 1 1 43 43 THR CA C 13 59.97 . . 1 . . . . 283 THR CA . 17358 1 284 . 1 1 43 43 THR CB C 13 70.21 . . 1 . . . . 283 THR CB . 17358 1 285 . 1 1 43 43 THR N N 15 115.00 . . 1 . . . . 283 THR N . 17358 1 286 . 1 1 44 44 THR H H 1 8.27 . . 1 . . . . 284 THR H . 17358 1 287 . 1 1 44 44 THR HA H 1 5.35 . . 1 . . . . 284 THR HA . 17358 1 288 . 1 1 44 44 THR HB H 1 4.32 . . 1 . . . . 284 THR HB . 17358 1 289 . 1 1 44 44 THR CA C 13 59.84 . . 1 . . . . 284 THR CA . 17358 1 290 . 1 1 44 44 THR CB C 13 72.96 . . 1 . . . . 284 THR CB . 17358 1 291 . 1 1 44 44 THR N N 15 108.55 . . 1 . . . . 284 THR N . 17358 1 292 . 1 1 45 45 LEU H H 1 7.98 . . 1 . . . . 285 LEU H . 17358 1 293 . 1 1 45 45 LEU HA H 1 4.09 . . 1 . . . . 285 LEU HA . 17358 1 294 . 1 1 45 45 LEU HB2 H 1 1.62 . . 1 . . . . 285 LEU HB2 . 17358 1 295 . 1 1 45 45 LEU CA C 13 57.30 . . 1 . . . . 285 LEU CA . 17358 1 296 . 1 1 45 45 LEU CB C 13 42.21 . . 1 . . . . 285 LEU CB . 17358 1 297 . 1 1 45 45 LEU N N 15 121.01 . . 1 . . . . 285 LEU N . 17358 1 298 . 1 1 46 46 ASN H H 1 7.77 . . 1 . . . . 286 ASN H . 17358 1 299 . 1 1 46 46 ASN HA H 1 4.26 . . 1 . . . . 286 ASN HA . 17358 1 300 . 1 1 46 46 ASN HB2 H 1 2.79 . . 1 . . . . 286 ASN HB2 . 17358 1 301 . 1 1 46 46 ASN CA C 13 53.33 . . 1 . . . . 286 ASN CA . 17358 1 302 . 1 1 46 46 ASN CB C 13 38.99 . . 1 . . . . 286 ASN CB . 17358 1 303 . 1 1 46 46 ASN N N 15 114.01 . . 1 . . . . 286 ASN N . 17358 1 304 . 1 1 47 47 GLY H H 1 7.72 . . 1 . . . . 287 GLY H . 17358 1 305 . 1 1 47 47 GLY HA2 H 1 4.30 . . 1 . . . . 287 GLY HA2 . 17358 1 306 . 1 1 47 47 GLY HA3 H 1 3.72 . . 1 . . . . 287 GLY HA3 . 17358 1 307 . 1 1 47 47 GLY CA C 13 45.66 . . 1 . . . . 287 GLY CA . 17358 1 308 . 1 1 47 47 GLY N N 15 108.07 . . 1 . . . . 287 GLY N . 17358 1 309 . 1 1 48 48 SER H H 1 7.55 . . 1 . . . . 288 SER H . 17358 1 310 . 1 1 48 48 SER HA H 1 4.52 . . 1 . . . . 288 SER HA . 17358 1 311 . 1 1 48 48 SER CA C 13 57.02 . . 1 . . . . 288 SER CA . 17358 1 312 . 1 1 48 48 SER CB C 13 65.16 . . 1 . . . . 288 SER CB . 17358 1 313 . 1 1 48 48 SER N N 15 112.93 . . 1 . . . . 288 SER N . 17358 1 314 . 1 1 49 49 LEU H H 1 8.82 . . 1 . . . . 289 LEU H . 17358 1 315 . 1 1 49 49 LEU CA C 13 52.75 . . 1 . . . . 289 LEU CA . 17358 1 316 . 1 1 49 49 LEU CB C 13 41.69 . . 1 . . . . 289 LEU CB . 17358 1 317 . 1 1 49 49 LEU N N 15 123.24 . . 1 . . . . 289 LEU N . 17358 1 318 . 1 1 50 50 PRO CA C 13 62.23 . . 1 . . . . 290 PRO CA . 17358 1 319 . 1 1 50 50 PRO CB C 13 32.26 . . 1 . . . . 290 PRO CB . 17358 1 320 . 1 1 51 51 LYS H H 1 8.25 . . 1 . . . . 291 LYS H . 17358 1 321 . 1 1 51 51 LYS HA H 1 4.04 . . 1 . . . . 291 LYS HA . 17358 1 322 . 1 1 51 51 LYS HB2 H 1 1.72 . . 1 . . . . 291 LYS HB2 . 17358 1 323 . 1 1 51 51 LYS HG3 H 1 1.51 . . 2 . . . . 291 LYS HG3 . 17358 1 324 . 1 1 51 51 LYS CA C 13 57.88 . . 1 . . . . 291 LYS CA . 17358 1 325 . 1 1 51 51 LYS CB C 13 32.26 . . 1 . . . . 291 LYS CB . 17358 1 326 . 1 1 51 51 LYS N N 15 120.46 . . 1 . . . . 291 LYS N . 17358 1 327 . 1 1 53 53 VAL H H 1 7.29 . . 1 . . . . 293 VAL H . 17358 1 328 . 1 1 53 53 VAL HA H 1 4.52 . . 1 . . . . 293 VAL HA . 17358 1 329 . 1 1 53 53 VAL HB H 1 1.73 . . 1 . . . . 293 VAL HB . 17358 1 330 . 1 1 53 53 VAL HG11 H 1 0.55 . . 2 . . . . 293 VAL HG1 . 17358 1 331 . 1 1 53 53 VAL HG12 H 1 0.55 . . 2 . . . . 293 VAL HG1 . 17358 1 332 . 1 1 53 53 VAL HG13 H 1 0.55 . . 2 . . . . 293 VAL HG1 . 17358 1 333 . 1 1 53 53 VAL HG21 H 1 -0.02 . . 2 . . . . 293 VAL HG2 . 17358 1 334 . 1 1 53 53 VAL HG22 H 1 -0.02 . . 2 . . . . 293 VAL HG2 . 17358 1 335 . 1 1 53 53 VAL HG23 H 1 -0.02 . . 2 . . . . 293 VAL HG2 . 17358 1 336 . 1 1 53 53 VAL CA C 13 60.68 . . 1 . . . . 293 VAL CA . 17358 1 337 . 1 1 53 53 VAL CB C 13 32.09 . . 1 . . . . 293 VAL CB . 17358 1 338 . 1 1 53 53 VAL N N 15 118.47 . . 1 . . . . 293 VAL N . 17358 1 339 . 1 1 54 54 GLU H H 1 8.74 . . 1 . . . . 294 GLU H . 17358 1 340 . 1 1 54 54 GLU HA H 1 4.51 . . 1 . . . . 294 GLU HA . 17358 1 341 . 1 1 54 54 GLU HB2 H 1 1.90 . . 1 . . . . 294 GLU HB2 . 17358 1 342 . 1 1 54 54 GLU HB3 H 1 1.77 . . 1 . . . . 294 GLU HB3 . 17358 1 343 . 1 1 54 54 GLU HG2 H 1 2.14 . . 1 . . . . 294 GLU HG2 . 17358 1 344 . 1 1 54 54 GLU HG3 H 1 2.02 . . 1 . . . . 294 GLU HG3 . 17358 1 345 . 1 1 54 54 GLU CA C 13 54.74 . . 1 . . . . 294 GLU CA . 17358 1 346 . 1 1 54 54 GLU CB C 13 33.93 . . 1 . . . . 294 GLU CB . 17358 1 347 . 1 1 54 54 GLU N N 15 125.25 . . 1 . . . . 294 GLU N . 17358 1 348 . 1 1 55 55 ALA H H 1 8.95 . . 1 . . . . 295 ALA H . 17358 1 349 . 1 1 55 55 ALA HA H 1 4.50 . . 1 . . . . 295 ALA HA . 17358 1 350 . 1 1 55 55 ALA HB1 H 1 1.43 . . 1 . . . . 295 ALA HB . 17358 1 351 . 1 1 55 55 ALA HB2 H 1 1.43 . . 1 . . . . 295 ALA HB . 17358 1 352 . 1 1 55 55 ALA HB3 H 1 1.43 . . 1 . . . . 295 ALA HB . 17358 1 353 . 1 1 55 55 ALA CA C 13 51.92 . . 1 . . . . 295 ALA CA . 17358 1 354 . 1 1 55 55 ALA CB C 13 20.07 . . 1 . . . . 295 ALA CB . 17358 1 355 . 1 1 55 55 ALA N N 15 129.38 . . 1 . . . . 295 ALA N . 17358 1 356 . 1 1 56 56 GLN H H 1 9.25 . . 1 . . . . 296 GLN H . 17358 1 357 . 1 1 56 56 GLN HA H 1 4.59 . . 1 . . . . 296 GLN HA . 17358 1 358 . 1 1 56 56 GLN HB3 H 1 2.02 . . 1 . . . . 296 GLN HB3 . 17358 1 359 . 1 1 56 56 GLN CA C 13 54.36 . . 1 . . . . 296 GLN CA . 17358 1 360 . 1 1 56 56 GLN CB C 13 29.09 . . 1 . . . . 296 GLN CB . 17358 1 361 . 1 1 56 56 GLN N N 15 125.71 . . 1 . . . . 296 GLN N . 17358 1 362 . 1 1 58 58 ARG H H 1 8.30 . . 1 . . . . 298 ARG H . 17358 1 363 . 1 1 58 58 ARG HA H 1 4.26 . . 1 . . . . 298 ARG HA . 17358 1 364 . 1 1 58 58 ARG CA C 13 58.32 . . 1 . . . . 298 ARG CA . 17358 1 365 . 1 1 58 58 ARG CB C 13 29.51 . . 1 . . . . 298 ARG CB . 17358 1 366 . 1 1 58 58 ARG N N 15 121.02 . . 1 . . . . 298 ARG N . 17358 1 367 . 1 1 59 59 THR H H 1 8.08 . . 1 . . . . 299 THR H . 17358 1 368 . 1 1 59 59 THR HA H 1 4.99 . . 1 . . . . 299 THR HA . 17358 1 369 . 1 1 59 59 THR HB H 1 3.66 . . 1 . . . . 299 THR HB . 17358 1 370 . 1 1 59 59 THR HG21 H 1 0.31 . . 1 . . . . 299 THR HG2 . 17358 1 371 . 1 1 59 59 THR HG22 H 1 0.31 . . 1 . . . . 299 THR HG2 . 17358 1 372 . 1 1 59 59 THR HG23 H 1 0.31 . . 1 . . . . 299 THR HG2 . 17358 1 373 . 1 1 59 59 THR CA C 13 62.31 . . 1 . . . . 299 THR CA . 17358 1 374 . 1 1 59 59 THR CB C 13 70.52 . . 1 . . . . 299 THR CB . 17358 1 375 . 1 1 59 59 THR N N 15 118.79 . . 1 . . . . 299 THR N . 17358 1 376 . 1 1 60 60 LEU H H 1 8.98 . . 1 . . . . 300 LEU H . 17358 1 377 . 1 1 60 60 LEU HA H 1 4.10 . . 1 . . . . 300 LEU HA . 17358 1 378 . 1 1 60 60 LEU HB2 H 1 0.68 . . 1 . . . . 300 LEU HB2 . 17358 1 379 . 1 1 60 60 LEU HG H 1 0.09 . . 1 . . . . 300 LEU HG . 17358 1 380 . 1 1 60 60 LEU HD21 H 1 -1.19 . . 1 . . . . 300 LEU HD2 . 17358 1 381 . 1 1 60 60 LEU HD22 H 1 -1.19 . . 1 . . . . 300 LEU HD2 . 17358 1 382 . 1 1 60 60 LEU HD23 H 1 -1.19 . . 1 . . . . 300 LEU HD2 . 17358 1 383 . 1 1 60 60 LEU CA C 13 52.85 . . 1 . . . . 300 LEU CA . 17358 1 384 . 1 1 60 60 LEU CB C 13 42.44 . . 1 . . . . 300 LEU CB . 17358 1 385 . 1 1 60 60 LEU N N 15 128.40 . . 1 . . . . 300 LEU N . 17358 1 386 . 1 1 61 61 PHE H H 1 8.76 . . 1 . . . . 301 PHE H . 17358 1 387 . 1 1 61 61 PHE HA H 1 4.45 . . 1 . . . . 301 PHE HA . 17358 1 388 . 1 1 61 61 PHE HB2 H 1 2.82 . . 1 . . . . 301 PHE HB2 . 17358 1 389 . 1 1 61 61 PHE CA C 13 58.18 . . 1 . . . . 301 PHE CA . 17358 1 390 . 1 1 61 61 PHE CB C 13 40.80 . . 1 . . . . 301 PHE CB . 17358 1 391 . 1 1 61 61 PHE N N 15 123.95 . . 1 . . . . 301 PHE N . 17358 1 392 . 1 1 62 62 PHE H H 1 7.83 . . 1 . . . . 302 PHE H . 17358 1 393 . 1 1 62 62 PHE HA H 1 4.35 . . 1 . . . . 302 PHE HA . 17358 1 394 . 1 1 62 62 PHE HB2 H 1 2.48 . . 1 . . . . 302 PHE HB2 . 17358 1 395 . 1 1 62 62 PHE HB3 H 1 2.85 . . 1 . . . . 302 PHE HB3 . 17358 1 396 . 1 1 62 62 PHE CA C 13 57.15 . . 1 . . . . 302 PHE CA . 17358 1 397 . 1 1 62 62 PHE CB C 13 36.93 . . 1 . . . . 302 PHE CB . 17358 1 398 . 1 1 62 62 PHE N N 15 124.71 . . 1 . . . . 302 PHE N . 17358 1 399 . 1 1 63 63 ARG H H 1 8.20 . . 1 . . . . 303 ARG H . 17358 1 400 . 1 1 63 63 ARG HA H 1 4.11 . . 1 . . . . 303 ARG HA . 17358 1 401 . 1 1 63 63 ARG HB2 H 1 1.79 . . 1 . . . . 303 ARG HB2 . 17358 1 402 . 1 1 63 63 ARG HG2 H 1 1.47 . . 1 . . . . 303 ARG HG2 . 17358 1 403 . 1 1 63 63 ARG HG3 H 1 1.53 . . 1 . . . . 303 ARG HG3 . 17358 1 404 . 1 1 63 63 ARG HD2 H 1 2.99 . . 1 . . . . 303 ARG HD2 . 17358 1 405 . 1 1 63 63 ARG CA C 13 56.07 . . 1 . . . . 303 ARG CA . 17358 1 406 . 1 1 63 63 ARG CB C 13 30.10 . . 1 . . . . 303 ARG CB . 17358 1 407 . 1 1 63 63 ARG N N 15 122.41 . . 1 . . . . 303 ARG N . 17358 1 408 . 1 1 64 64 GLY H H 1 8.47 . . 1 . . . . 304 GLY H . 17358 1 409 . 1 1 64 64 GLY HA2 H 1 3.95 . . 1 . . . . 304 GLY HA2 . 17358 1 410 . 1 1 64 64 GLY HA3 H 1 4.17 . . 1 . . . . 304 GLY HA3 . 17358 1 411 . 1 1 64 64 GLY CA C 13 44.01 . . 1 . . . . 304 GLY CA . 17358 1 412 . 1 1 64 64 GLY N N 15 110.64 . . 1 . . . . 304 GLY N . 17358 1 413 . 1 1 65 65 PRO CA C 13 61.58 . . 1 . . . . 305 PRO CA . 17358 1 414 . 1 1 65 65 PRO CB C 13 32.11 . . 1 . . . . 305 PRO CB . 17358 1 415 . 1 1 66 66 ILE H H 1 8.48 . . 1 . . . . 306 ILE H . 17358 1 416 . 1 1 66 66 ILE HA H 1 3.70 . . 1 . . . . 306 ILE HA . 17358 1 417 . 1 1 66 66 ILE HB H 1 1.89 . . 1 . . . . 306 ILE HB . 17358 1 418 . 1 1 66 66 ILE HG21 H 1 0.61 . . 1 . . . . 306 ILE HG2 . 17358 1 419 . 1 1 66 66 ILE HG22 H 1 0.61 . . 1 . . . . 306 ILE HG2 . 17358 1 420 . 1 1 66 66 ILE HG23 H 1 0.61 . . 1 . . . . 306 ILE HG2 . 17358 1 421 . 1 1 66 66 ILE CA C 13 62.38 . . 1 . . . . 306 ILE CA . 17358 1 422 . 1 1 66 66 ILE CB C 13 36.59 . . 1 . . . . 306 ILE CB . 17358 1 423 . 1 1 66 66 ILE N N 15 121.67 . . 1 . . . . 306 ILE N . 17358 1 424 . 1 1 67 67 THR H H 1 6.53 . . 1 . . . . 307 THR H . 17358 1 425 . 1 1 67 67 THR HA H 1 4.53 . . 1 . . . . 307 THR HA . 17358 1 426 . 1 1 67 67 THR HB H 1 1.17 . . 1 . . . . 307 THR HB . 17358 1 427 . 1 1 67 67 THR CA C 13 59.26 . . 1 . . . . 307 THR CA . 17358 1 428 . 1 1 67 67 THR CB C 13 72.09 . . 1 . . . . 307 THR CB . 17358 1 429 . 1 1 67 67 THR N N 15 114.45 . . 1 . . . . 307 THR N . 17358 1 430 . 1 1 68 68 TYR H H 1 8.43 . . 1 . . . . 308 TYR H . 17358 1 431 . 1 1 68 68 TYR HA H 1 4.23 . . 1 . . . . 308 TYR HA . 17358 1 432 . 1 1 68 68 TYR CA C 13 62.09 . . 1 . . . . 308 TYR CA . 17358 1 433 . 1 1 68 68 TYR CB C 13 37.86 . . 1 . . . . 308 TYR CB . 17358 1 434 . 1 1 68 68 TYR N N 15 118.71 . . 1 . . . . 308 TYR N . 17358 1 435 . 1 1 70 70 LEU H H 1 7.45 . . 1 . . . . 310 LEU H . 17358 1 436 . 1 1 70 70 LEU HA H 1 4.41 . . 1 . . . . 310 LEU HA . 17358 1 437 . 1 1 70 70 LEU HB3 H 1 1.91 . . 1 . . . . 310 LEU HB3 . 17358 1 438 . 1 1 70 70 LEU HG H 1 1.13 . . 1 . . . . 310 LEU HG . 17358 1 439 . 1 1 70 70 LEU CA C 13 54.62 . . 1 . . . . 310 LEU CA . 17358 1 440 . 1 1 70 70 LEU CB C 13 42.35 . . 1 . . . . 310 LEU CB . 17358 1 441 . 1 1 70 70 LEU N N 15 118.10 . . 1 . . . . 310 LEU N . 17358 1 442 . 1 1 71 71 ALA H H 1 7.59 . . 1 . . . . 311 ALA H . 17358 1 443 . 1 1 71 71 ALA HA H 1 4.12 . . 1 . . . . 311 ALA HA . 17358 1 444 . 1 1 71 71 ALA HB1 H 1 1.68 . . 1 . . . . 311 ALA HB . 17358 1 445 . 1 1 71 71 ALA HB2 H 1 1.68 . . 1 . . . . 311 ALA HB . 17358 1 446 . 1 1 71 71 ALA HB3 H 1 1.68 . . 1 . . . . 311 ALA HB . 17358 1 447 . 1 1 71 71 ALA CA C 13 53.33 . . 1 . . . . 311 ALA CA . 17358 1 448 . 1 1 71 71 ALA CB C 13 19.71 . . 1 . . . . 311 ALA CB . 17358 1 449 . 1 1 71 71 ALA N N 15 122.21 . . 1 . . . . 311 ALA N . 17358 1 450 . 1 1 72 72 GLY H H 1 8.32 . . 1 . . . . 312 GLY H . 17358 1 451 . 1 1 72 72 GLY HA2 H 1 3.90 . . 1 . . . . 312 GLY HA2 . 17358 1 452 . 1 1 72 72 GLY HA3 H 1 4.21 . . 1 . . . . 312 GLY HA3 . 17358 1 453 . 1 1 72 72 GLY CA C 13 44.99 . . 1 . . . . 312 GLY CA . 17358 1 454 . 1 1 72 72 GLY N N 15 108.74 . . 1 . . . . 312 GLY N . 17358 1 455 . 1 1 73 73 THR H H 1 8.52 . . 1 . . . . 313 THR H . 17358 1 456 . 1 1 73 73 THR HA H 1 5.06 . . 1 . . . . 313 THR HA . 17358 1 457 . 1 1 73 73 THR HB H 1 3.83 . . 1 . . . . 313 THR HB . 17358 1 458 . 1 1 73 73 THR HG21 H 1 0.93 . . 1 . . . . 313 THR HG2 . 17358 1 459 . 1 1 73 73 THR HG22 H 1 0.93 . . 1 . . . . 313 THR HG2 . 17358 1 460 . 1 1 73 73 THR HG23 H 1 0.93 . . 1 . . . . 313 THR HG2 . 17358 1 461 . 1 1 73 73 THR CA C 13 62.28 . . 1 . . . . 313 THR CA . 17358 1 462 . 1 1 73 73 THR CB C 13 69.52 . . 1 . . . . 313 THR CB . 17358 1 463 . 1 1 73 73 THR N N 15 118.11 . . 1 . . . . 313 THR N . 17358 1 464 . 1 1 74 74 TYR H H 1 8.80 . . 1 . . . . 314 TYR H . 17358 1 465 . 1 1 74 74 TYR HA H 1 4.66 . . 1 . . . . 314 TYR HA . 17358 1 466 . 1 1 74 74 TYR HB3 H 1 2.75 . . 1 . . . . 314 TYR HB3 . 17358 1 467 . 1 1 74 74 TYR CA C 13 58.47 . . 1 . . . . 314 TYR CA . 17358 1 468 . 1 1 74 74 TYR CB C 13 40.90 . . 1 . . . . 314 TYR CB . 17358 1 469 . 1 1 74 74 TYR N N 15 126.58 . . 1 . . . . 314 TYR N . 17358 1 470 . 1 1 75 75 ILE H H 1 8.87 . . 1 . . . . 315 ILE H . 17358 1 471 . 1 1 75 75 ILE HA H 1 4.72 . . 1 . . . . 315 ILE HA . 17358 1 472 . 1 1 75 75 ILE HB H 1 1.38 . . 1 . . . . 315 ILE HB . 17358 1 473 . 1 1 75 75 ILE CA C 13 60.07 . . 1 . . . . 315 ILE CA . 17358 1 474 . 1 1 75 75 ILE CB C 13 41.80 . . 1 . . . . 315 ILE CB . 17358 1 475 . 1 1 75 75 ILE N N 15 121.94 . . 1 . . . . 315 ILE N . 17358 1 476 . 1 1 76 76 CYS H H 1 8.45 . . 1 . . . . 316 CYS H . 17358 1 477 . 1 1 76 76 CYS HA H 1 4.46 . . 1 . . . . 316 CYS HA . 17358 1 478 . 1 1 76 76 CYS HB2 H 1 1.64 . . 1 . . . . 316 CYS HB2 . 17358 1 479 . 1 1 76 76 CYS HB3 H 1 2.09 . . 1 . . . . 316 CYS HB3 . 17358 1 480 . 1 1 76 76 CYS CA C 13 52.02 . . 1 . . . . 316 CYS CA . 17358 1 481 . 1 1 76 76 CYS CB C 13 44.46 . . 1 . . . . 316 CYS CB . 17358 1 482 . 1 1 76 76 CYS N N 15 123.92 . . 1 . . . . 316 CYS N . 17358 1 483 . 1 1 77 77 GLU H H 1 9.12 . . 1 . . . . 317 GLU H . 17358 1 484 . 1 1 77 77 GLU HA H 1 4.70 . . 1 . . . . 317 GLU HA . 17358 1 485 . 1 1 77 77 GLU HB2 H 1 1.59 . . 1 . . . . 317 GLU HB2 . 17358 1 486 . 1 1 77 77 GLU HB3 H 1 1.82 . . 1 . . . . 317 GLU HB3 . 17358 1 487 . 1 1 77 77 GLU HG3 H 1 1.98 . . 2 . . . . 317 GLU HG3 . 17358 1 488 . 1 1 77 77 GLU CA C 13 54.30 . . 1 . . . . 317 GLU CA . 17358 1 489 . 1 1 77 77 GLU CB C 13 32.09 . . 1 . . . . 317 GLU CB . 17358 1 490 . 1 1 77 77 GLU N N 15 126.06 . . 1 . . . . 317 GLU N . 17358 1 491 . 1 1 78 78 ALA H H 1 8.99 . . 1 . . . . 318 ALA H . 17358 1 492 . 1 1 78 78 ALA HA H 1 5.05 . . 1 . . . . 318 ALA HA . 17358 1 493 . 1 1 78 78 ALA HB1 H 1 0.69 . . 1 . . . . 318 ALA HB . 17358 1 494 . 1 1 78 78 ALA HB2 H 1 0.69 . . 1 . . . . 318 ALA HB . 17358 1 495 . 1 1 78 78 ALA HB3 H 1 0.69 . . 1 . . . . 318 ALA HB . 17358 1 496 . 1 1 78 78 ALA CA C 13 49.73 . . 1 . . . . 318 ALA CA . 17358 1 497 . 1 1 78 78 ALA CB C 13 23.03 . . 1 . . . . 318 ALA CB . 17358 1 498 . 1 1 78 78 ALA N N 15 128.39 . . 1 . . . . 318 ALA N . 17358 1 499 . 1 1 79 79 THR H H 1 8.26 . . 1 . . . . 319 THR H . 17358 1 500 . 1 1 79 79 THR HA H 1 4.97 . . 1 . . . . 319 THR HA . 17358 1 501 . 1 1 79 79 THR HB H 1 3.59 . . 1 . . . . 319 THR HB . 17358 1 502 . 1 1 79 79 THR HG21 H 1 1.02 . . 1 . . . . 319 THR HG2 . 17358 1 503 . 1 1 79 79 THR HG22 H 1 1.02 . . 1 . . . . 319 THR HG2 . 17358 1 504 . 1 1 79 79 THR HG23 H 1 1.02 . . 1 . . . . 319 THR HG2 . 17358 1 505 . 1 1 79 79 THR CA C 13 62.10 . . 1 . . . . 319 THR CA . 17358 1 506 . 1 1 79 79 THR CB C 13 72.02 . . 1 . . . . 319 THR CB . 17358 1 507 . 1 1 79 79 THR N N 15 118.02 . . 1 . . . . 319 THR N . 17358 1 508 . 1 1 80 80 ASN H H 1 8.87 . . 1 . . . . 320 ASN H . 17358 1 509 . 1 1 80 80 ASN HA H 1 5.06 . . 1 . . . . 320 ASN HA . 17358 1 510 . 1 1 80 80 ASN CA C 13 50.59 . . 1 . . . . 320 ASN CA . 17358 1 511 . 1 1 80 80 ASN CB C 13 40.99 . . 1 . . . . 320 ASN CB . 17358 1 512 . 1 1 80 80 ASN N N 15 130.43 . . 1 . . . . 320 ASN N . 17358 1 513 . 1 1 81 81 PRO CA C 13 65.38 . . 1 . . . . 321 PRO CA . 17358 1 514 . 1 1 81 81 PRO CB C 13 32.49 . . 1 . . . . 321 PRO CB . 17358 1 515 . 1 1 82 82 ILE H H 1 7.00 . . 1 . . . . 322 ILE H . 17358 1 516 . 1 1 82 82 ILE HA H 1 4.05 . . 1 . . . . 322 ILE HA . 17358 1 517 . 1 1 82 82 ILE HB H 1 1.96 . . 1 . . . . 322 ILE HB . 17358 1 518 . 1 1 82 82 ILE HG12 H 1 1.13 . . 1 . . . . 322 ILE HG12 . 17358 1 519 . 1 1 82 82 ILE HG13 H 1 1.26 . . 1 . . . . 322 ILE HG13 . 17358 1 520 . 1 1 82 82 ILE HG21 H 1 0.93 . . 1 . . . . 322 ILE HG2 . 17358 1 521 . 1 1 82 82 ILE HG22 H 1 0.93 . . 1 . . . . 322 ILE HG2 . 17358 1 522 . 1 1 82 82 ILE HG23 H 1 0.93 . . 1 . . . . 322 ILE HG2 . 17358 1 523 . 1 1 82 82 ILE CA C 13 59.85 . . 1 . . . . 322 ILE CA . 17358 1 524 . 1 1 82 82 ILE CB C 13 36.76 . . 1 . . . . 322 ILE CB . 17358 1 525 . 1 1 82 82 ILE N N 15 113.35 . . 1 . . . . 322 ILE N . 17358 1 526 . 1 1 83 83 GLY H H 1 7.87 . . 1 . . . . 323 GLY H . 17358 1 527 . 1 1 83 83 GLY HA2 H 1 4.20 . . 1 . . . . 323 GLY HA2 . 17358 1 528 . 1 1 83 83 GLY HA3 H 1 4.13 . . 1 . . . . 323 GLY HA3 . 17358 1 529 . 1 1 83 83 GLY CA C 13 46.31 . . 1 . . . . 323 GLY CA . 17358 1 530 . 1 1 83 83 GLY N N 15 107.06 . . 1 . . . . 323 GLY N . 17358 1 531 . 1 1 84 84 THR H H 1 8.27 . . 1 . . . . 324 THR H . 17358 1 532 . 1 1 84 84 THR HA H 1 5.28 . . 1 . . . . 324 THR HA . 17358 1 533 . 1 1 84 84 THR HB H 1 3.65 . . 1 . . . . 324 THR HB . 17358 1 534 . 1 1 84 84 THR HG21 H 1 0.95 . . 1 . . . . 324 THR HG2 . 17358 1 535 . 1 1 84 84 THR HG22 H 1 0.95 . . 1 . . . . 324 THR HG2 . 17358 1 536 . 1 1 84 84 THR HG23 H 1 0.95 . . 1 . . . . 324 THR HG2 . 17358 1 537 . 1 1 84 84 THR CA C 13 61.55 . . 1 . . . . 324 THR CA . 17358 1 538 . 1 1 84 84 THR CB C 13 71.41 . . 1 . . . . 324 THR CB . 17358 1 539 . 1 1 84 84 THR N N 15 116.16 . . 1 . . . . 324 THR N . 17358 1 540 . 1 1 85 85 ARG H H 1 8.63 . . 1 . . . . 325 ARG H . 17358 1 541 . 1 1 85 85 ARG HA H 1 4.72 . . 1 . . . . 325 ARG HA . 17358 1 542 . 1 1 85 85 ARG HB2 H 1 1.81 . . 1 . . . . 325 ARG HB2 . 17358 1 543 . 1 1 85 85 ARG HG2 H 1 1.41 . . 1 . . . . 325 ARG HG2 . 17358 1 544 . 1 1 85 85 ARG HG3 H 1 1.96 . . 1 . . . . 325 ARG HG3 . 17358 1 545 . 1 1 85 85 ARG HD2 H 1 3.52 . . 2 . . . . 325 ARG HD2 . 17358 1 546 . 1 1 85 85 ARG HD3 H 1 3.34 . . 2 . . . . 325 ARG HD3 . 17358 1 547 . 1 1 85 85 ARG CA C 13 53.56 . . 1 . . . . 325 ARG CA . 17358 1 548 . 1 1 85 85 ARG CB C 13 35.52 . . 1 . . . . 325 ARG CB . 17358 1 549 . 1 1 85 85 ARG N N 15 125.94 . . 1 . . . . 325 ARG N . 17358 1 550 . 1 1 86 86 SER H H 1 8.40 . . 1 . . . . 326 SER H . 17358 1 551 . 1 1 86 86 SER HA H 1 5.88 . . 1 . . . . 326 SER HA . 17358 1 552 . 1 1 86 86 SER HB2 H 1 3.69 . . 1 . . . . 326 SER HB2 . 17358 1 553 . 1 1 86 86 SER HB3 H 1 3.62 . . 1 . . . . 326 SER HB3 . 17358 1 554 . 1 1 86 86 SER CA C 13 56.28 . . 1 . . . . 326 SER CA . 17358 1 555 . 1 1 86 86 SER CB C 13 67.60 . . 1 . . . . 326 SER CB . 17358 1 556 . 1 1 86 86 SER N N 15 113.10 . . 1 . . . . 326 SER N . 17358 1 557 . 1 1 87 87 GLY H H 1 8.75 . . 1 . . . . 327 GLY H . 17358 1 558 . 1 1 87 87 GLY HA2 H 1 3.37 . . 1 . . . . 327 GLY HA2 . 17358 1 559 . 1 1 87 87 GLY HA3 H 1 4.52 . . 1 . . . . 327 GLY HA3 . 17358 1 560 . 1 1 87 87 GLY CA C 13 44.28 . . 1 . . . . 327 GLY CA . 17358 1 561 . 1 1 87 87 GLY N N 15 109.15 . . 1 . . . . 327 GLY N . 17358 1 562 . 1 1 88 88 GLN H H 1 8.61 . . 1 . . . . 328 GLN H . 17358 1 563 . 1 1 88 88 GLN HA H 1 5.82 . . 1 . . . . 328 GLN HA . 17358 1 564 . 1 1 88 88 GLN HB2 H 1 1.70 . . 2 . . . . 328 GLN HB2 . 17358 1 565 . 1 1 88 88 GLN HB3 H 1 2.02 . . 2 . . . . 328 GLN HB3 . 17358 1 566 . 1 1 88 88 GLN HG3 H 1 2.20 . . 2 . . . . 328 GLN HG3 . 17358 1 567 . 1 1 88 88 GLN CA C 13 54.02 . . 1 . . . . 328 GLN CA . 17358 1 568 . 1 1 88 88 GLN CB C 13 33.94 . . 1 . . . . 328 GLN CB . 17358 1 569 . 1 1 88 88 GLN N N 15 114.85 . . 1 . . . . 328 GLN N . 17358 1 570 . 1 1 89 89 VAL H H 1 8.95 . . 1 . . . . 329 VAL H . 17358 1 571 . 1 1 89 89 VAL HA H 1 4.54 . . 1 . . . . 329 VAL HA . 17358 1 572 . 1 1 89 89 VAL HB H 1 2.02 . . 1 . . . . 329 VAL HB . 17358 1 573 . 1 1 89 89 VAL HG11 H 1 0.96 . . 1 . . . . 329 VAL HG1 . 17358 1 574 . 1 1 89 89 VAL HG12 H 1 0.96 . . 1 . . . . 329 VAL HG1 . 17358 1 575 . 1 1 89 89 VAL HG13 H 1 0.96 . . 1 . . . . 329 VAL HG1 . 17358 1 576 . 1 1 89 89 VAL HG21 H 1 0.87 . . 1 . . . . 329 VAL HG2 . 17358 1 577 . 1 1 89 89 VAL HG22 H 1 0.87 . . 1 . . . . 329 VAL HG2 . 17358 1 578 . 1 1 89 89 VAL HG23 H 1 0.87 . . 1 . . . . 329 VAL HG2 . 17358 1 579 . 1 1 89 89 VAL CA C 13 60.22 . . 1 . . . . 329 VAL CA . 17358 1 580 . 1 1 89 89 VAL CB C 13 35.69 . . 1 . . . . 329 VAL CB . 17358 1 581 . 1 1 89 89 VAL N N 15 118.79 . . 1 . . . . 329 VAL N . 17358 1 582 . 1 1 90 90 GLU H H 1 8.35 . . 1 . . . . 330 GLU H . 17358 1 583 . 1 1 90 90 GLU HA H 1 4.55 . . 1 . . . . 330 GLU HA . 17358 1 584 . 1 1 90 90 GLU HB2 H 1 1.99 . . 1 . . . . 330 GLU HB2 . 17358 1 585 . 1 1 90 90 GLU HB3 H 1 1.80 . . 1 . . . . 330 GLU HB3 . 17358 1 586 . 1 1 90 90 GLU CA C 13 55.36 . . 1 . . . . 330 GLU CA . 17358 1 587 . 1 1 90 90 GLU CB C 13 35.68 . . 1 . . . . 330 GLU CB . 17358 1 588 . 1 1 90 90 GLU N N 15 128.03 . . 1 . . . . 330 GLU N . 17358 1 589 . 1 1 91 91 VAL H H 1 8.91 . . 1 . . . . 331 VAL H . 17358 1 590 . 1 1 91 91 VAL HB H 1 2.48 . . 1 . . . . 331 VAL HB . 17358 1 591 . 1 1 91 91 VAL HG11 H 1 0.21 . . 1 . . . . 331 VAL HG1 . 17358 1 592 . 1 1 91 91 VAL HG12 H 1 0.21 . . 1 . . . . 331 VAL HG1 . 17358 1 593 . 1 1 91 91 VAL HG13 H 1 0.21 . . 1 . . . . 331 VAL HG1 . 17358 1 594 . 1 1 91 91 VAL HG21 H 1 0.34 . . 1 . . . . 331 VAL HG2 . 17358 1 595 . 1 1 91 91 VAL HG22 H 1 0.34 . . 1 . . . . 331 VAL HG2 . 17358 1 596 . 1 1 91 91 VAL HG23 H 1 0.34 . . 1 . . . . 331 VAL HG2 . 17358 1 597 . 1 1 91 91 VAL CA C 13 61.92 . . 1 . . . . 331 VAL CA . 17358 1 598 . 1 1 91 91 VAL CB C 13 33.06 . . 1 . . . . 331 VAL CB . 17358 1 599 . 1 1 91 91 VAL N N 15 126.61 . . 1 . . . . 331 VAL N . 17358 1 600 . 1 1 92 92 ASN H H 1 6.53 . . 1 . . . . 332 ASN H . 17358 1 601 . 1 1 92 92 ASN HA H 1 4.99 . . 1 . . . . 332 ASN HA . 17358 1 602 . 1 1 92 92 ASN HB2 H 1 2.70 . . 1 . . . . 332 ASN HB2 . 17358 1 603 . 1 1 92 92 ASN CA C 13 51.83 . . 1 . . . . 332 ASN CA . 17358 1 604 . 1 1 92 92 ASN CB C 13 41.63 . . 1 . . . . 332 ASN CB . 17358 1 605 . 1 1 92 92 ASN N N 15 125.41 . . 1 . . . . 332 ASN N . 17358 1 606 . 1 1 93 93 ILE H H 1 8.73 . . 1 . . . . 333 ILE H . 17358 1 607 . 1 1 93 93 ILE HA H 1 4.95 . . 1 . . . . 333 ILE HA . 17358 1 608 . 1 1 93 93 ILE HB H 1 2.08 . . 1 . . . . 333 ILE HB . 17358 1 609 . 1 1 93 93 ILE HG13 H 1 1.58 . . 1 . . . . 333 ILE HG13 . 17358 1 610 . 1 1 93 93 ILE HG21 H 1 0.63 . . 1 . . . . 333 ILE HG2 . 17358 1 611 . 1 1 93 93 ILE HG22 H 1 0.63 . . 1 . . . . 333 ILE HG2 . 17358 1 612 . 1 1 93 93 ILE HG23 H 1 0.63 . . 1 . . . . 333 ILE HG2 . 17358 1 613 . 1 1 93 93 ILE CA C 13 58.23 . . 1 . . . . 333 ILE CA . 17358 1 614 . 1 1 93 93 ILE CB C 13 38.14 . . 1 . . . . 333 ILE CB . 17358 1 615 . 1 1 93 93 ILE N N 15 124.52 . . 1 . . . . 333 ILE N . 17358 1 616 . 1 1 94 94 THR H H 1 8.12 . . 1 . . . . 334 THR H . 17358 1 617 . 1 1 94 94 THR HA H 1 4.75 . . 1 . . . . 334 THR HA . 17358 1 618 . 1 1 94 94 THR HB H 1 4.27 . . 1 . . . . 334 THR HB . 17358 1 619 . 1 1 94 94 THR HG21 H 1 1.24 . . 1 . . . . 334 THR HG2 . 17358 1 620 . 1 1 94 94 THR HG22 H 1 1.24 . . 1 . . . . 334 THR HG2 . 17358 1 621 . 1 1 94 94 THR HG23 H 1 1.24 . . 1 . . . . 334 THR HG2 . 17358 1 622 . 1 1 94 94 THR CA C 13 59.77 . . 1 . . . . 334 THR CA . 17358 1 623 . 1 1 94 94 THR CB C 13 70.82 . . 1 . . . . 334 THR CB . 17358 1 624 . 1 1 94 94 THR N N 15 118.83 . . 1 . . . . 334 THR N . 17358 1 625 . 1 1 95 95 HIS H H 1 8.52 . . 1 . . . . 335 HIS H . 17358 1 626 . 1 1 95 95 HIS CA C 13 57.95 . . 1 . . . . 335 HIS CA . 17358 1 627 . 1 1 95 95 HIS N N 15 120.53 . . 1 . . . . 335 HIS N . 17358 1 stop_ save_