data_25499 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25499 _Entry.Title ; NMR structure of the RRM3 domain of Hrb1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-23 _Entry.Accession_date 2015-02-23 _Entry.Last_release_date 2015-11-30 _Entry.Original_release_date 2015-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _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 Santiago Martinez-Lumbreras . . . 25499 2 Bertrand Seraphin . . . 25499 3 'Jose Manuel' Perez-Canadillas . . . 25499 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' . 25499 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Hrb1 . 25499 'RNA binding domain' . 25499 RRM . 25499 THO/TREX . 25499 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25499 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 288 25499 '15N chemical shifts' 113 25499 '1H chemical shifts' 665 25499 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 . . 2016-01-20 2015-02-23 original BMRB 'update entry citation' 25499 1 . . 2015-11-30 2015-02-23 original author 'original release' 25499 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25496 'RRM3 domain of Gbp2' 25499 BMRB 25497 'RRM1 domain of Hrb1' 25499 BMRB 25498 'RRM2 domain of Hrb1' 25499 PDB 2MZT 'BMRB Entry Tracking System' 25499 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25499 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26602689 _Citation.Full_citation . _Citation.Title ; Gbp2 interacts with THO/TREX through a novel type of RRM domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 1 _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 437 _Citation.Page_last 448 _Citation.Year 2016 _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 Santiago Martinez-Lumbreras . . . 25499 1 2 Valerio Taverniti . . . 25499 1 3 Silvia Zorrilla . . . 25499 1 4 Bertrand Seraphin . . . 25499 1 5 'Jose Manuel' Perez-Canadillas . . . 25499 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25499 _Assembly.ID 1 _Assembly.Name 'RRM3 domain of Hrb1' _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 RRM3 1 $RRM3 A . yes native no no . . . 25499 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM3 _Entity.Sf_category entity _Entity.Sf_framecode RRM3 _Entity.Entry_ID 25499 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM3 _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 ; GSVNEEARKFTENVVGGGER NRLIYCSNLPFSTAKSDLYD LFETIGKVNNAELRYDSKGA PTGIAVVEYDNVDDADVCIE RLNNYNYGGCDLDISYAKRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'From 357 to 454' _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Third RRM domain of Hrb1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11106.278 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 355 GLY . 25499 1 2 356 SER . 25499 1 3 357 VAL . 25499 1 4 358 ASN . 25499 1 5 359 GLU . 25499 1 6 360 GLU . 25499 1 7 361 ALA . 25499 1 8 362 ARG . 25499 1 9 363 LYS . 25499 1 10 364 PHE . 25499 1 11 365 THR . 25499 1 12 366 GLU . 25499 1 13 367 ASN . 25499 1 14 368 VAL . 25499 1 15 369 VAL . 25499 1 16 370 GLY . 25499 1 17 371 GLY . 25499 1 18 372 GLY . 25499 1 19 373 GLU . 25499 1 20 374 ARG . 25499 1 21 375 ASN . 25499 1 22 376 ARG . 25499 1 23 377 LEU . 25499 1 24 378 ILE . 25499 1 25 379 TYR . 25499 1 26 380 CYS . 25499 1 27 381 SER . 25499 1 28 382 ASN . 25499 1 29 383 LEU . 25499 1 30 384 PRO . 25499 1 31 385 PHE . 25499 1 32 386 SER . 25499 1 33 387 THR . 25499 1 34 388 ALA . 25499 1 35 389 LYS . 25499 1 36 390 SER . 25499 1 37 391 ASP . 25499 1 38 392 LEU . 25499 1 39 393 TYR . 25499 1 40 394 ASP . 25499 1 41 395 LEU . 25499 1 42 396 PHE . 25499 1 43 397 GLU . 25499 1 44 398 THR . 25499 1 45 399 ILE . 25499 1 46 400 GLY . 25499 1 47 401 LYS . 25499 1 48 402 VAL . 25499 1 49 403 ASN . 25499 1 50 404 ASN . 25499 1 51 405 ALA . 25499 1 52 406 GLU . 25499 1 53 407 LEU . 25499 1 54 408 ARG . 25499 1 55 409 TYR . 25499 1 56 410 ASP . 25499 1 57 411 SER . 25499 1 58 412 LYS . 25499 1 59 413 GLY . 25499 1 60 414 ALA . 25499 1 61 415 PRO . 25499 1 62 416 THR . 25499 1 63 417 GLY . 25499 1 64 418 ILE . 25499 1 65 419 ALA . 25499 1 66 420 VAL . 25499 1 67 421 VAL . 25499 1 68 422 GLU . 25499 1 69 423 TYR . 25499 1 70 424 ASP . 25499 1 71 425 ASN . 25499 1 72 426 VAL . 25499 1 73 427 ASP . 25499 1 74 428 ASP . 25499 1 75 429 ALA . 25499 1 76 430 ASP . 25499 1 77 431 VAL . 25499 1 78 432 CYS . 25499 1 79 433 ILE . 25499 1 80 434 GLU . 25499 1 81 435 ARG . 25499 1 82 436 LEU . 25499 1 83 437 ASN . 25499 1 84 438 ASN . 25499 1 85 439 TYR . 25499 1 86 440 ASN . 25499 1 87 441 TYR . 25499 1 88 442 GLY . 25499 1 89 443 GLY . 25499 1 90 444 CYS . 25499 1 91 445 ASP . 25499 1 92 446 LEU . 25499 1 93 447 ASP . 25499 1 94 448 ILE . 25499 1 95 449 SER . 25499 1 96 450 TYR . 25499 1 97 451 ALA . 25499 1 98 452 LYS . 25499 1 99 453 ARG . 25499 1 100 454 LEU . 25499 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25499 1 . SER 2 2 25499 1 . VAL 3 3 25499 1 . ASN 4 4 25499 1 . GLU 5 5 25499 1 . GLU 6 6 25499 1 . ALA 7 7 25499 1 . ARG 8 8 25499 1 . LYS 9 9 25499 1 . PHE 10 10 25499 1 . THR 11 11 25499 1 . GLU 12 12 25499 1 . ASN 13 13 25499 1 . VAL 14 14 25499 1 . VAL 15 15 25499 1 . GLY 16 16 25499 1 . GLY 17 17 25499 1 . GLY 18 18 25499 1 . GLU 19 19 25499 1 . ARG 20 20 25499 1 . ASN 21 21 25499 1 . ARG 22 22 25499 1 . LEU 23 23 25499 1 . ILE 24 24 25499 1 . TYR 25 25 25499 1 . CYS 26 26 25499 1 . SER 27 27 25499 1 . ASN 28 28 25499 1 . LEU 29 29 25499 1 . PRO 30 30 25499 1 . PHE 31 31 25499 1 . SER 32 32 25499 1 . THR 33 33 25499 1 . ALA 34 34 25499 1 . LYS 35 35 25499 1 . SER 36 36 25499 1 . ASP 37 37 25499 1 . LEU 38 38 25499 1 . TYR 39 39 25499 1 . ASP 40 40 25499 1 . LEU 41 41 25499 1 . PHE 42 42 25499 1 . GLU 43 43 25499 1 . THR 44 44 25499 1 . ILE 45 45 25499 1 . GLY 46 46 25499 1 . LYS 47 47 25499 1 . VAL 48 48 25499 1 . ASN 49 49 25499 1 . ASN 50 50 25499 1 . ALA 51 51 25499 1 . GLU 52 52 25499 1 . LEU 53 53 25499 1 . ARG 54 54 25499 1 . TYR 55 55 25499 1 . ASP 56 56 25499 1 . SER 57 57 25499 1 . LYS 58 58 25499 1 . GLY 59 59 25499 1 . ALA 60 60 25499 1 . PRO 61 61 25499 1 . THR 62 62 25499 1 . GLY 63 63 25499 1 . ILE 64 64 25499 1 . ALA 65 65 25499 1 . VAL 66 66 25499 1 . VAL 67 67 25499 1 . GLU 68 68 25499 1 . TYR 69 69 25499 1 . ASP 70 70 25499 1 . ASN 71 71 25499 1 . VAL 72 72 25499 1 . ASP 73 73 25499 1 . ASP 74 74 25499 1 . ALA 75 75 25499 1 . ASP 76 76 25499 1 . VAL 77 77 25499 1 . CYS 78 78 25499 1 . ILE 79 79 25499 1 . GLU 80 80 25499 1 . ARG 81 81 25499 1 . LEU 82 82 25499 1 . ASN 83 83 25499 1 . ASN 84 84 25499 1 . TYR 85 85 25499 1 . ASN 86 86 25499 1 . TYR 87 87 25499 1 . GLY 88 88 25499 1 . GLY 89 89 25499 1 . CYS 90 90 25499 1 . ASP 91 91 25499 1 . LEU 92 92 25499 1 . ASP 93 93 25499 1 . ILE 94 94 25499 1 . SER 95 95 25499 1 . TYR 96 96 25499 1 . ALA 97 97 25499 1 . LYS 98 98 25499 1 . ARG 99 99 25499 1 . LEU 100 100 25499 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 25499 _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 $RRM3 . 4932 organism . 'Saccharomyces cerevisiae' "Baker's Yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . HRB1 . 25499 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 25499 _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 $RRM3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . pET28 . . . 25499 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25499 _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 RRM3 '[U-100% 13C; U-100% 15N]' . . 1 $RRM3 . . 0.8 . . mM . . . . 25499 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25499 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25499 1 4 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 25499 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25499 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25499 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25499 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 RRM3 '[U-100% 13C; U-100% 15N]' . . 1 $RRM3 . . 0.8 . . mM . . . . 25499 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25499 2 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25499 2 4 DTT 'natural abundance' . . . . . . 0.1 . . mM . . . . 25499 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25499 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 25499 _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' 50 . mM 25499 1 pH 6.5 . pH 25499 1 pressure 1 . atm 25499 1 temperature 298 . K 25499 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25499 _Software.ID 1 _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' . . 25499 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25499 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25499 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25499 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25499 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25499 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25499 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25499 3 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 25499 _Software.ID 4 _Software.Name CcpNMR_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25499 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25499 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25499 _Software.ID 5 _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' . . 25499 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25499 5 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 25499 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25499 _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 Bruker Avance . 800 . . . 25499 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 25499 _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 . . . . . . . . . . . . . . . . 25499 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25499 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 25499 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25499 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25499 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25499 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 25499 _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' . . . 25499 1 2 '2D 1H-13C HSQC' . . . 25499 1 3 '2D 1H-1H TOCSY' . . . 25499 1 4 '2D 1H-1H TOCSY' . . . 25499 1 7 '3D HNCO' . . . 25499 1 8 '3D HNCA' . . . 25499 1 9 '3D HNCACB' . . . 25499 1 10 '3D HBHA(CO)NH' . . . 25499 1 11 '3D HCCH-TOCSY' . . . 25499 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 GLY HA2 H 1 4.044 0.000 . 2 . . . A 355 GLY HA2 . 25499 1 2 . 1 1 1 1 GLY CA C 13 43.444 0.000 . 1 . . . A 355 GLY CA . 25499 1 3 . 1 1 2 2 SER HA H 1 4.770 0.005 . 1 . . . A 356 SER HA . 25499 1 4 . 1 1 2 2 SER HB2 H 1 4.106 0.007 . 2 . . . A 356 SER HB2 . 25499 1 5 . 1 1 2 2 SER CA C 13 58.321 0.000 . 1 . . . A 356 SER CA . 25499 1 6 . 1 1 2 2 SER CB C 13 64.174 0.000 . 1 . . . A 356 SER CB . 25499 1 7 . 1 1 3 3 VAL H H 1 8.587 0.003 . 1 . . . A 357 VAL H . 25499 1 8 . 1 1 3 3 VAL HA H 1 4.324 0.004 . 1 . . . A 357 VAL HA . 25499 1 9 . 1 1 3 3 VAL HB H 1 2.297 0.002 . 1 . . . A 357 VAL HB . 25499 1 10 . 1 1 3 3 VAL HG11 H 1 1.176 0.002 . 2 . . . A 357 VAL HG11 . 25499 1 11 . 1 1 3 3 VAL HG12 H 1 1.176 0.002 . 2 . . . A 357 VAL HG12 . 25499 1 12 . 1 1 3 3 VAL HG13 H 1 1.176 0.002 . 2 . . . A 357 VAL HG13 . 25499 1 13 . 1 1 3 3 VAL HG21 H 1 1.154 0.001 . 2 . . . A 357 VAL HG21 . 25499 1 14 . 1 1 3 3 VAL HG22 H 1 1.154 0.001 . 2 . . . A 357 VAL HG22 . 25499 1 15 . 1 1 3 3 VAL HG23 H 1 1.154 0.001 . 2 . . . A 357 VAL HG23 . 25499 1 16 . 1 1 3 3 VAL CA C 13 62.889 0.000 . 1 . . . A 357 VAL CA . 25499 1 17 . 1 1 3 3 VAL CB C 13 32.930 0.000 . 1 . . . A 357 VAL CB . 25499 1 18 . 1 1 3 3 VAL CG1 C 13 21.316 0.000 . 2 . . . A 357 VAL CG1 . 25499 1 19 . 1 1 3 3 VAL CG2 C 13 20.737 0.000 . 2 . . . A 357 VAL CG2 . 25499 1 20 . 1 1 3 3 VAL N N 15 121.456 0.000 . 1 . . . A 357 VAL N . 25499 1 21 . 1 1 4 4 ASN H H 1 8.707 0.002 . 1 . . . A 358 ASN H . 25499 1 22 . 1 1 4 4 ASN HA H 1 4.936 0.006 . 1 . . . A 358 ASN HA . 25499 1 23 . 1 1 4 4 ASN HB2 H 1 3.135 0.003 . 2 . . . A 358 ASN HB2 . 25499 1 24 . 1 1 4 4 ASN HD21 H 1 7.263 0.001 . 1 . . . A 358 ASN HD21 . 25499 1 25 . 1 1 4 4 ASN HD22 H 1 7.887 0.003 . 1 . . . A 358 ASN HD22 . 25499 1 26 . 1 1 4 4 ASN CA C 13 53.511 0.000 . 1 . . . A 358 ASN CA . 25499 1 27 . 1 1 4 4 ASN CB C 13 38.739 0.000 . 1 . . . A 358 ASN CB . 25499 1 28 . 1 1 4 4 ASN N N 15 121.843 0.000 . 1 . . . A 358 ASN N . 25499 1 29 . 1 1 4 4 ASN ND2 N 15 112.804 0.011 . 1 . . . A 358 ASN ND2 . 25499 1 30 . 1 1 5 5 GLU H H 1 8.757 0.004 . 1 . . . A 359 GLU H . 25499 1 31 . 1 1 5 5 GLU HA H 1 4.379 0.004 . 1 . . . A 359 GLU HA . 25499 1 32 . 1 1 5 5 GLU HB2 H 1 2.295 0.003 . 2 . . . A 359 GLU HB2 . 25499 1 33 . 1 1 5 5 GLU HG2 H 1 2.544 0.002 . 2 . . . A 359 GLU HG2 . 25499 1 34 . 1 1 5 5 GLU CA C 13 58.808 0.000 . 1 . . . A 359 GLU CA . 25499 1 35 . 1 1 5 5 GLU CB C 13 30.002 0.000 . 1 . . . A 359 GLU CB . 25499 1 36 . 1 1 5 5 GLU CG C 13 36.334 0.000 . 1 . . . A 359 GLU CG . 25499 1 37 . 1 1 5 5 GLU N N 15 122.284 0.000 . 1 . . . A 359 GLU N . 25499 1 38 . 1 1 6 6 GLU H H 1 8.696 0.001 . 1 . . . A 360 GLU H . 25499 1 39 . 1 1 6 6 GLU HA H 1 4.317 0.002 . 1 . . . A 360 GLU HA . 25499 1 40 . 1 1 6 6 GLU HB2 H 1 2.295 0.002 . 2 . . . A 360 GLU HB2 . 25499 1 41 . 1 1 6 6 GLU HG2 H 1 2.565 0.005 . 2 . . . A 360 GLU HG2 . 25499 1 42 . 1 1 6 6 GLU CA C 13 59.132 0.000 . 1 . . . A 360 GLU CA . 25499 1 43 . 1 1 6 6 GLU CB C 13 29.336 0.000 . 1 . . . A 360 GLU CB . 25499 1 44 . 1 1 6 6 GLU CG C 13 36.712 0.000 . 1 . . . A 360 GLU CG . 25499 1 45 . 1 1 6 6 GLU N N 15 119.821 0.000 . 1 . . . A 360 GLU N . 25499 1 46 . 1 1 7 7 ALA H H 1 8.283 0.002 . 1 . . . A 361 ALA H . 25499 1 47 . 1 1 7 7 ALA HA H 1 4.410 0.004 . 1 . . . A 361 ALA HA . 25499 1 48 . 1 1 7 7 ALA HB1 H 1 1.757 0.001 . 1 . . . A 361 ALA HB1 . 25499 1 49 . 1 1 7 7 ALA HB2 H 1 1.757 0.001 . 1 . . . A 361 ALA HB2 . 25499 1 50 . 1 1 7 7 ALA HB3 H 1 1.757 0.001 . 1 . . . A 361 ALA HB3 . 25499 1 51 . 1 1 7 7 ALA CA C 13 54.949 0.000 . 1 . . . A 361 ALA CA . 25499 1 52 . 1 1 7 7 ALA CB C 13 18.709 0.000 . 1 . . . A 361 ALA CB . 25499 1 53 . 1 1 7 7 ALA N N 15 123.471 0.000 . 1 . . . A 361 ALA N . 25499 1 54 . 1 1 8 8 ARG H H 1 8.237 0.002 . 1 . . . A 362 ARG H . 25499 1 55 . 1 1 8 8 ARG HA H 1 4.376 0.002 . 1 . . . A 362 ARG HA . 25499 1 56 . 1 1 8 8 ARG HB2 H 1 2.175 0.003 . 2 . . . A 362 ARG HB2 . 25499 1 57 . 1 1 8 8 ARG HB3 H 1 2.138 0.002 . 2 . . . A 362 ARG HB3 . 25499 1 58 . 1 1 8 8 ARG HG2 H 1 1.987 0.004 . 2 . . . A 362 ARG HG2 . 25499 1 59 . 1 1 8 8 ARG HG3 H 1 1.847 0.004 . 2 . . . A 362 ARG HG3 . 25499 1 60 . 1 1 8 8 ARG HD2 H 1 3.487 0.002 . 2 . . . A 362 ARG HD2 . 25499 1 61 . 1 1 8 8 ARG HD3 H 1 3.421 0.002 . 2 . . . A 362 ARG HD3 . 25499 1 62 . 1 1 8 8 ARG HE H 1 7.786 0.003 . 1 . . . A 362 ARG HE . 25499 1 63 . 1 1 8 8 ARG CA C 13 58.806 0.000 . 1 . . . A 362 ARG CA . 25499 1 64 . 1 1 8 8 ARG CB C 13 30.231 0.002 . 1 . . . A 362 ARG CB . 25499 1 65 . 1 1 8 8 ARG CG C 13 27.406 0.005 . 1 . . . A 362 ARG CG . 25499 1 66 . 1 1 8 8 ARG CD C 13 43.385 0.007 . 1 . . . A 362 ARG CD . 25499 1 67 . 1 1 8 8 ARG N N 15 119.019 0.000 . 1 . . . A 362 ARG N . 25499 1 68 . 1 1 8 8 ARG NE N 15 84.136 0.000 . 1 . . . A 362 ARG NE . 25499 1 69 . 1 1 9 9 LYS H H 1 8.429 0.002 . 1 . . . A 363 LYS H . 25499 1 70 . 1 1 9 9 LYS HA H 1 4.317 0.003 . 1 . . . A 363 LYS HA . 25499 1 71 . 1 1 9 9 LYS HB2 H 1 2.137 0.004 . 2 . . . A 363 LYS HB2 . 25499 1 72 . 1 1 9 9 LYS HG2 H 1 1.834 0.005 . 2 . . . A 363 LYS HG2 . 25499 1 73 . 1 1 9 9 LYS HG3 H 1 1.720 0.003 . 2 . . . A 363 LYS HG3 . 25499 1 74 . 1 1 9 9 LYS HD2 H 1 1.934 0.003 . 2 . . . A 363 LYS HD2 . 25499 1 75 . 1 1 9 9 LYS HE2 H 1 3.216 0.004 . 2 . . . A 363 LYS HE2 . 25499 1 76 . 1 1 9 9 LYS CA C 13 58.595 0.000 . 1 . . . A 363 LYS CA . 25499 1 77 . 1 1 9 9 LYS CB C 13 32.524 0.000 . 1 . . . A 363 LYS CB . 25499 1 78 . 1 1 9 9 LYS CG C 13 25.467 0.017 . 1 . . . A 363 LYS CG . 25499 1 79 . 1 1 9 9 LYS CD C 13 29.217 0.000 . 1 . . . A 363 LYS CD . 25499 1 80 . 1 1 9 9 LYS CE C 13 41.995 0.000 . 1 . . . A 363 LYS CE . 25499 1 81 . 1 1 9 9 LYS N N 15 118.549 0.000 . 1 . . . A 363 LYS N . 25499 1 82 . 1 1 10 10 PHE H H 1 8.247 0.002 . 1 . . . A 364 PHE H . 25499 1 83 . 1 1 10 10 PHE HA H 1 4.598 0.003 . 1 . . . A 364 PHE HA . 25499 1 84 . 1 1 10 10 PHE HB2 H 1 3.625 0.002 . 2 . . . A 364 PHE HB2 . 25499 1 85 . 1 1 10 10 PHE HB3 H 1 3.207 0.003 . 2 . . . A 364 PHE HB3 . 25499 1 86 . 1 1 10 10 PHE HD1 H 1 7.315 0.003 . 3 . . . A 364 PHE HD1 . 25499 1 87 . 1 1 10 10 PHE HD2 H 1 7.315 0.003 . 3 . . . A 364 PHE HD2 . 25499 1 88 . 1 1 10 10 PHE HE1 H 1 7.455 0.003 . 3 . . . A 364 PHE HE1 . 25499 1 89 . 1 1 10 10 PHE HE2 H 1 7.455 0.003 . 3 . . . A 364 PHE HE2 . 25499 1 90 . 1 1 10 10 PHE HZ H 1 7.207 0.004 . 1 . . . A 364 PHE HZ . 25499 1 91 . 1 1 10 10 PHE CA C 13 61.240 0.000 . 1 . . . A 364 PHE CA . 25499 1 92 . 1 1 10 10 PHE CB C 13 40.211 0.003 . 1 . . . A 364 PHE CB . 25499 1 93 . 1 1 10 10 PHE N N 15 119.023 0.000 . 1 . . . A 364 PHE N . 25499 1 94 . 1 1 11 11 THR H H 1 7.761 0.003 . 1 . . . A 365 THR H . 25499 1 95 . 1 1 11 11 THR HA H 1 4.370 0.005 . 1 . . . A 365 THR HA . 25499 1 96 . 1 1 11 11 THR HB H 1 4.472 0.005 . 1 . . . A 365 THR HB . 25499 1 97 . 1 1 11 11 THR HG21 H 1 1.377 0.003 . 1 . . . A 365 THR HG21 . 25499 1 98 . 1 1 11 11 THR HG22 H 1 1.377 0.003 . 1 . . . A 365 THR HG22 . 25499 1 99 . 1 1 11 11 THR HG23 H 1 1.377 0.003 . 1 . . . A 365 THR HG23 . 25499 1 100 . 1 1 11 11 THR CA C 13 61.774 0.000 . 1 . . . A 365 THR CA . 25499 1 101 . 1 1 11 11 THR CB C 13 70.321 0.000 . 1 . . . A 365 THR CB . 25499 1 102 . 1 1 11 11 THR CG2 C 13 22.719 0.000 . 1 . . . A 365 THR CG2 . 25499 1 103 . 1 1 11 11 THR N N 15 102.103 0.000 . 1 . . . A 365 THR N . 25499 1 104 . 1 1 12 12 GLU H H 1 7.940 0.002 . 1 . . . A 366 GLU H . 25499 1 105 . 1 1 12 12 GLU HA H 1 4.474 0.004 . 1 . . . A 366 GLU HA . 25499 1 106 . 1 1 12 12 GLU HB2 H 1 2.328 0.002 . 2 . . . A 366 GLU HB2 . 25499 1 107 . 1 1 12 12 GLU HB3 H 1 2.257 0.002 . 2 . . . A 366 GLU HB3 . 25499 1 108 . 1 1 12 12 GLU HG2 H 1 2.523 0.003 . 2 . . . A 366 GLU HG2 . 25499 1 109 . 1 1 12 12 GLU CA C 13 57.183 0.000 . 1 . . . A 366 GLU CA . 25499 1 110 . 1 1 12 12 GLU CB C 13 30.673 0.007 . 1 . . . A 366 GLU CB . 25499 1 111 . 1 1 12 12 GLU CG C 13 36.567 0.000 . 1 . . . A 366 GLU CG . 25499 1 112 . 1 1 12 12 GLU N N 15 124.823 0.000 . 1 . . . A 366 GLU N . 25499 1 113 . 1 1 13 13 ASN H H 1 9.339 0.003 . 1 . . . A 367 ASN H . 25499 1 114 . 1 1 13 13 ASN HA H 1 4.611 0.004 . 1 . . . A 367 ASN HA . 25499 1 115 . 1 1 13 13 ASN HB2 H 1 3.286 0.003 . 2 . . . A 367 ASN HB2 . 25499 1 116 . 1 1 13 13 ASN HB3 H 1 3.179 0.003 . 2 . . . A 367 ASN HB3 . 25499 1 117 . 1 1 13 13 ASN HD21 H 1 7.132 0.002 . 1 . . . A 367 ASN HD21 . 25499 1 118 . 1 1 13 13 ASN HD22 H 1 7.890 0.001 . 1 . . . A 367 ASN HD22 . 25499 1 119 . 1 1 13 13 ASN CA C 13 54.081 0.000 . 1 . . . A 367 ASN CA . 25499 1 120 . 1 1 13 13 ASN CB C 13 37.313 0.007 . 1 . . . A 367 ASN CB . 25499 1 121 . 1 1 13 13 ASN N N 15 118.676 0.000 . 1 . . . A 367 ASN N . 25499 1 122 . 1 1 13 13 ASN ND2 N 15 113.689 0.005 . 1 . . . A 367 ASN ND2 . 25499 1 123 . 1 1 14 14 VAL H H 1 7.280 0.003 . 1 . . . A 368 VAL H . 25499 1 124 . 1 1 14 14 VAL HA H 1 5.119 0.007 . 1 . . . A 368 VAL HA . 25499 1 125 . 1 1 14 14 VAL HB H 1 1.895 0.003 . 1 . . . A 368 VAL HB . 25499 1 126 . 1 1 14 14 VAL HG11 H 1 1.069 0.003 . 2 . . . A 368 VAL HG11 . 25499 1 127 . 1 1 14 14 VAL HG12 H 1 1.069 0.003 . 2 . . . A 368 VAL HG12 . 25499 1 128 . 1 1 14 14 VAL HG13 H 1 1.069 0.003 . 2 . . . A 368 VAL HG13 . 25499 1 129 . 1 1 14 14 VAL HG21 H 1 0.956 0.003 . 2 . . . A 368 VAL HG21 . 25499 1 130 . 1 1 14 14 VAL HG22 H 1 0.956 0.003 . 2 . . . A 368 VAL HG22 . 25499 1 131 . 1 1 14 14 VAL HG23 H 1 0.956 0.003 . 2 . . . A 368 VAL HG23 . 25499 1 132 . 1 1 14 14 VAL CA C 13 60.907 0.000 . 1 . . . A 368 VAL CA . 25499 1 133 . 1 1 14 14 VAL CB C 13 33.792 0.000 . 1 . . . A 368 VAL CB . 25499 1 134 . 1 1 14 14 VAL CG1 C 13 23.277 0.000 . 2 . . . A 368 VAL CG1 . 25499 1 135 . 1 1 14 14 VAL CG2 C 13 22.513 0.000 . 2 . . . A 368 VAL CG2 . 25499 1 136 . 1 1 14 14 VAL N N 15 115.643 0.000 . 1 . . . A 368 VAL N . 25499 1 137 . 1 1 15 15 VAL H H 1 8.851 0.002 . 1 . . . A 369 VAL H . 25499 1 138 . 1 1 15 15 VAL HA H 1 4.349 0.003 . 1 . . . A 369 VAL HA . 25499 1 139 . 1 1 15 15 VAL HB H 1 2.313 0.003 . 1 . . . A 369 VAL HB . 25499 1 140 . 1 1 15 15 VAL HG11 H 1 1.062 0.003 . 2 . . . A 369 VAL HG11 . 25499 1 141 . 1 1 15 15 VAL HG12 H 1 1.062 0.003 . 2 . . . A 369 VAL HG12 . 25499 1 142 . 1 1 15 15 VAL HG13 H 1 1.062 0.003 . 2 . . . A 369 VAL HG13 . 25499 1 143 . 1 1 15 15 VAL HG21 H 1 1.030 0.002 . 2 . . . A 369 VAL HG21 . 25499 1 144 . 1 1 15 15 VAL HG22 H 1 1.030 0.002 . 2 . . . A 369 VAL HG22 . 25499 1 145 . 1 1 15 15 VAL HG23 H 1 1.030 0.002 . 2 . . . A 369 VAL HG23 . 25499 1 146 . 1 1 15 15 VAL CA C 13 59.471 0.000 . 1 . . . A 369 VAL CA . 25499 1 147 . 1 1 15 15 VAL CB C 13 35.682 0.000 . 1 . . . A 369 VAL CB . 25499 1 148 . 1 1 15 15 VAL CG1 C 13 21.919 0.000 . 2 . . . A 369 VAL CG1 . 25499 1 149 . 1 1 15 15 VAL CG2 C 13 18.748 0.000 . 2 . . . A 369 VAL CG2 . 25499 1 150 . 1 1 15 15 VAL N N 15 121.508 0.000 . 1 . . . A 369 VAL N . 25499 1 151 . 1 1 16 16 GLY H H 1 7.294 0.003 . 1 . . . A 370 GLY H . 25499 1 152 . 1 1 16 16 GLY HA2 H 1 4.297 0.006 . 2 . . . A 370 GLY HA2 . 25499 1 153 . 1 1 16 16 GLY HA3 H 1 3.273 0.004 . 2 . . . A 370 GLY HA3 . 25499 1 154 . 1 1 16 16 GLY CA C 13 43.535 0.008 . 1 . . . A 370 GLY CA . 25499 1 155 . 1 1 16 16 GLY N N 15 105.193 0.000 . 1 . . . A 370 GLY N . 25499 1 156 . 1 1 17 17 GLY H H 1 8.546 0.002 . 1 . . . A 371 GLY H . 25499 1 157 . 1 1 17 17 GLY HA2 H 1 4.260 0.002 . 2 . . . A 371 GLY HA2 . 25499 1 158 . 1 1 17 17 GLY HA3 H 1 4.091 0.004 . 2 . . . A 371 GLY HA3 . 25499 1 159 . 1 1 17 17 GLY CA C 13 47.011 0.009 . 1 . . . A 371 GLY CA . 25499 1 160 . 1 1 17 17 GLY N N 15 104.801 0.000 . 1 . . . A 371 GLY N . 25499 1 161 . 1 1 18 18 GLY H H 1 9.196 0.002 . 1 . . . A 372 GLY H . 25499 1 162 . 1 1 18 18 GLY HA2 H 1 4.321 0.002 . 2 . . . A 372 GLY HA2 . 25499 1 163 . 1 1 18 18 GLY HA3 H 1 3.498 0.003 . 2 . . . A 372 GLY HA3 . 25499 1 164 . 1 1 18 18 GLY CA C 13 44.434 0.006 . 1 . . . A 372 GLY CA . 25499 1 165 . 1 1 18 18 GLY N N 15 106.869 0.000 . 1 . . . A 372 GLY N . 25499 1 166 . 1 1 19 19 GLU H H 1 8.384 0.003 . 1 . . . A 373 GLU H . 25499 1 167 . 1 1 19 19 GLU HA H 1 4.499 0.003 . 1 . . . A 373 GLU HA . 25499 1 168 . 1 1 19 19 GLU HB2 H 1 2.226 0.002 . 2 . . . A 373 GLU HB2 . 25499 1 169 . 1 1 19 19 GLU HB3 H 1 2.073 0.003 . 2 . . . A 373 GLU HB3 . 25499 1 170 . 1 1 19 19 GLU HG2 H 1 2.496 0.004 . 2 . . . A 373 GLU HG2 . 25499 1 171 . 1 1 19 19 GLU CA C 13 55.544 0.000 . 1 . . . A 373 GLU CA . 25499 1 172 . 1 1 19 19 GLU CB C 13 31.018 0.011 . 1 . . . A 373 GLU CB . 25499 1 173 . 1 1 19 19 GLU CG C 13 36.674 0.000 . 1 . . . A 373 GLU CG . 25499 1 174 . 1 1 19 19 GLU N N 15 117.923 0.000 . 1 . . . A 373 GLU N . 25499 1 175 . 1 1 20 20 ARG H H 1 8.280 0.002 . 1 . . . A 374 ARG H . 25499 1 176 . 1 1 20 20 ARG HA H 1 1.388 0.004 . 1 . . . A 374 ARG HA . 25499 1 177 . 1 1 20 20 ARG HB2 H 1 1.569 0.002 . 2 . . . A 374 ARG HB2 . 25499 1 178 . 1 1 20 20 ARG HB3 H 1 1.469 0.002 . 2 . . . A 374 ARG HB3 . 25499 1 179 . 1 1 20 20 ARG HG2 H 1 1.227 0.004 . 2 . . . A 374 ARG HG2 . 25499 1 180 . 1 1 20 20 ARG HD2 H 1 3.329 0.004 . 2 . . . A 374 ARG HD2 . 25499 1 181 . 1 1 20 20 ARG HD3 H 1 3.245 0.003 . 2 . . . A 374 ARG HD3 . 25499 1 182 . 1 1 20 20 ARG HE H 1 9.278 0.003 . 1 . . . A 374 ARG HE . 25499 1 183 . 1 1 20 20 ARG HH11 H 1 7.023 0.000 . 1 . . . A 374 ARG HH11 . 25499 1 184 . 1 1 20 20 ARG HH12 H 1 6.913 0.004 . 1 . . . A 374 ARG HH12 . 25499 1 185 . 1 1 20 20 ARG CA C 13 57.419 0.000 . 1 . . . A 374 ARG CA . 25499 1 186 . 1 1 20 20 ARG CB C 13 30.109 0.001 . 1 . . . A 374 ARG CB . 25499 1 187 . 1 1 20 20 ARG CG C 13 27.696 0.000 . 1 . . . A 374 ARG CG . 25499 1 188 . 1 1 20 20 ARG CD C 13 43.764 0.013 . 1 . . . A 374 ARG CD . 25499 1 189 . 1 1 20 20 ARG N N 15 120.877 0.000 . 1 . . . A 374 ARG N . 25499 1 190 . 1 1 20 20 ARG NE N 15 87.892 0.000 . 1 . . . A 374 ARG NE . 25499 1 191 . 1 1 20 20 ARG NH1 N 15 69.345 0.000 . 1 . . . A 374 ARG NH1 . 25499 1 192 . 1 1 21 21 ASN H H 1 7.401 0.002 . 1 . . . A 375 ASN H . 25499 1 193 . 1 1 21 21 ASN HA H 1 4.773 0.004 . 1 . . . A 375 ASN HA . 25499 1 194 . 1 1 21 21 ASN HB2 H 1 3.543 0.003 . 2 . . . A 375 ASN HB2 . 25499 1 195 . 1 1 21 21 ASN HB3 H 1 3.060 0.003 . 2 . . . A 375 ASN HB3 . 25499 1 196 . 1 1 21 21 ASN HD21 H 1 7.858 0.001 . 1 . . . A 375 ASN HD21 . 25499 1 197 . 1 1 21 21 ASN HD22 H 1 8.236 0.002 . 1 . . . A 375 ASN HD22 . 25499 1 198 . 1 1 21 21 ASN CA C 13 53.010 0.000 . 1 . . . A 375 ASN CA . 25499 1 199 . 1 1 21 21 ASN CB C 13 39.421 0.010 . 1 . . . A 375 ASN CB . 25499 1 200 . 1 1 21 21 ASN N N 15 122.499 0.000 . 1 . . . A 375 ASN N . 25499 1 201 . 1 1 21 21 ASN ND2 N 15 115.266 0.003 . 1 . . . A 375 ASN ND2 . 25499 1 202 . 1 1 22 22 ARG H H 1 8.345 0.001 . 1 . . . A 376 ARG H . 25499 1 203 . 1 1 22 22 ARG HA H 1 4.468 0.004 . 1 . . . A 376 ARG HA . 25499 1 204 . 1 1 22 22 ARG HB2 H 1 2.386 0.004 . 2 . . . A 376 ARG HB2 . 25499 1 205 . 1 1 22 22 ARG HB3 H 1 2.004 0.003 . 2 . . . A 376 ARG HB3 . 25499 1 206 . 1 1 22 22 ARG HG2 H 1 1.744 0.004 . 2 . . . A 376 ARG HG2 . 25499 1 207 . 1 1 22 22 ARG HD2 H 1 3.627 0.003 . 2 . . . A 376 ARG HD2 . 25499 1 208 . 1 1 22 22 ARG HD3 H 1 3.395 0.004 . 2 . . . A 376 ARG HD3 . 25499 1 209 . 1 1 22 22 ARG HE H 1 7.502 0.004 . 1 . . . A 376 ARG HE . 25499 1 210 . 1 1 22 22 ARG CA C 13 58.536 0.000 . 1 . . . A 376 ARG CA . 25499 1 211 . 1 1 22 22 ARG CB C 13 29.990 0.002 . 1 . . . A 376 ARG CB . 25499 1 212 . 1 1 22 22 ARG CG C 13 27.594 0.000 . 1 . . . A 376 ARG CG . 25499 1 213 . 1 1 22 22 ARG CD C 13 43.573 0.009 . 1 . . . A 376 ARG CD . 25499 1 214 . 1 1 22 22 ARG N N 15 115.074 0.000 . 1 . . . A 376 ARG N . 25499 1 215 . 1 1 22 22 ARG NE N 15 85.196 0.000 . 1 . . . A 376 ARG NE . 25499 1 216 . 1 1 23 23 LEU H H 1 7.998 0.003 . 1 . . . A 377 LEU H . 25499 1 217 . 1 1 23 23 LEU HA H 1 5.292 0.003 . 1 . . . A 377 LEU HA . 25499 1 218 . 1 1 23 23 LEU HB2 H 1 2.192 0.003 . 2 . . . A 377 LEU HB2 . 25499 1 219 . 1 1 23 23 LEU HB3 H 1 1.747 0.003 . 2 . . . A 377 LEU HB3 . 25499 1 220 . 1 1 23 23 LEU HG H 1 1.595 0.004 . 1 . . . A 377 LEU HG . 25499 1 221 . 1 1 23 23 LEU HD11 H 1 1.066 0.002 . 2 . . . A 377 LEU HD11 . 25499 1 222 . 1 1 23 23 LEU HD12 H 1 1.066 0.002 . 2 . . . A 377 LEU HD12 . 25499 1 223 . 1 1 23 23 LEU HD13 H 1 1.066 0.002 . 2 . . . A 377 LEU HD13 . 25499 1 224 . 1 1 23 23 LEU HD21 H 1 0.904 0.003 . 2 . . . A 377 LEU HD21 . 25499 1 225 . 1 1 23 23 LEU HD22 H 1 0.904 0.003 . 2 . . . A 377 LEU HD22 . 25499 1 226 . 1 1 23 23 LEU HD23 H 1 0.904 0.003 . 2 . . . A 377 LEU HD23 . 25499 1 227 . 1 1 23 23 LEU CA C 13 54.172 0.000 . 1 . . . A 377 LEU CA . 25499 1 228 . 1 1 23 23 LEU CB C 13 44.954 0.002 . 1 . . . A 377 LEU CB . 25499 1 229 . 1 1 23 23 LEU CG C 13 27.263 0.000 . 1 . . . A 377 LEU CG . 25499 1 230 . 1 1 23 23 LEU CD1 C 13 24.849 0.000 . 2 . . . A 377 LEU CD1 . 25499 1 231 . 1 1 23 23 LEU CD2 C 13 25.603 0.000 . 2 . . . A 377 LEU CD2 . 25499 1 232 . 1 1 23 23 LEU N N 15 121.453 0.000 . 1 . . . A 377 LEU N . 25499 1 233 . 1 1 24 24 ILE H H 1 9.929 0.002 . 1 . . . A 378 ILE H . 25499 1 234 . 1 1 24 24 ILE HA H 1 5.020 0.006 . 1 . . . A 378 ILE HA . 25499 1 235 . 1 1 24 24 ILE HB H 1 2.405 0.002 . 1 . . . A 378 ILE HB . 25499 1 236 . 1 1 24 24 ILE HG12 H 1 2.088 0.002 . 2 . . . A 378 ILE HG12 . 25499 1 237 . 1 1 24 24 ILE HG13 H 1 1.920 0.003 . 2 . . . A 378 ILE HG13 . 25499 1 238 . 1 1 24 24 ILE HG21 H 1 1.182 0.003 . 1 . . . A 378 ILE HG21 . 25499 1 239 . 1 1 24 24 ILE HG22 H 1 1.182 0.003 . 1 . . . A 378 ILE HG22 . 25499 1 240 . 1 1 24 24 ILE HG23 H 1 1.182 0.003 . 1 . . . A 378 ILE HG23 . 25499 1 241 . 1 1 24 24 ILE HD11 H 1 0.999 0.003 . 1 . . . A 378 ILE HD11 . 25499 1 242 . 1 1 24 24 ILE HD12 H 1 0.999 0.003 . 1 . . . A 378 ILE HD12 . 25499 1 243 . 1 1 24 24 ILE HD13 H 1 0.999 0.003 . 1 . . . A 378 ILE HD13 . 25499 1 244 . 1 1 24 24 ILE CA C 13 57.333 0.000 . 1 . . . A 378 ILE CA . 25499 1 245 . 1 1 24 24 ILE CB C 13 39.954 0.000 . 1 . . . A 378 ILE CB . 25499 1 246 . 1 1 24 24 ILE CG1 C 13 26.460 0.004 . 1 . . . A 378 ILE CG1 . 25499 1 247 . 1 1 24 24 ILE CG2 C 13 19.111 0.000 . 1 . . . A 378 ILE CG2 . 25499 1 248 . 1 1 24 24 ILE CD1 C 13 11.273 0.000 . 1 . . . A 378 ILE CD1 . 25499 1 249 . 1 1 24 24 ILE N N 15 125.635 0.000 . 1 . . . A 378 ILE N . 25499 1 250 . 1 1 25 25 TYR H H 1 9.537 0.003 . 1 . . . A 379 TYR H . 25499 1 251 . 1 1 25 25 TYR HA H 1 4.888 0.004 . 1 . . . A 379 TYR HA . 25499 1 252 . 1 1 25 25 TYR HB2 H 1 3.158 0.009 . 2 . . . A 379 TYR HB2 . 25499 1 253 . 1 1 25 25 TYR HB3 H 1 2.499 0.002 . 2 . . . A 379 TYR HB3 . 25499 1 254 . 1 1 25 25 TYR HD1 H 1 7.013 0.004 . 3 . . . A 379 TYR HD1 . 25499 1 255 . 1 1 25 25 TYR HD2 H 1 7.013 0.004 . 3 . . . A 379 TYR HD2 . 25499 1 256 . 1 1 25 25 TYR HE1 H 1 6.803 0.003 . 3 . . . A 379 TYR HE1 . 25499 1 257 . 1 1 25 25 TYR HE2 H 1 6.803 0.003 . 3 . . . A 379 TYR HE2 . 25499 1 258 . 1 1 25 25 TYR CA C 13 57.413 0.000 . 1 . . . A 379 TYR CA . 25499 1 259 . 1 1 25 25 TYR CB C 13 41.857 0.006 . 1 . . . A 379 TYR CB . 25499 1 260 . 1 1 25 25 TYR N N 15 127.743 0.000 . 1 . . . A 379 TYR N . 25499 1 261 . 1 1 26 26 CYS H H 1 8.654 0.003 . 1 . . . A 380 CYS H . 25499 1 262 . 1 1 26 26 CYS HA H 1 5.714 0.004 . 1 . . . A 380 CYS HA . 25499 1 263 . 1 1 26 26 CYS HB2 H 1 2.803 0.004 . 2 . . . A 380 CYS HB2 . 25499 1 264 . 1 1 26 26 CYS HB3 H 1 2.446 0.004 . 2 . . . A 380 CYS HB3 . 25499 1 265 . 1 1 26 26 CYS HG H 1 1.541 0.003 . 1 . . . A 380 CYS HG . 25499 1 266 . 1 1 26 26 CYS CA C 13 55.928 0.000 . 1 . . . A 380 CYS CA . 25499 1 267 . 1 1 26 26 CYS CB C 13 29.477 0.016 . 1 . . . A 380 CYS CB . 25499 1 268 . 1 1 26 26 CYS N N 15 127.976 0.000 . 1 . . . A 380 CYS N . 25499 1 269 . 1 1 27 27 SER H H 1 9.601 0.004 . 1 . . . A 381 SER H . 25499 1 270 . 1 1 27 27 SER HA H 1 5.571 0.003 . 1 . . . A 381 SER HA . 25499 1 271 . 1 1 27 27 SER HB2 H 1 4.247 0.005 . 2 . . . A 381 SER HB2 . 25499 1 272 . 1 1 27 27 SER HB3 H 1 3.985 0.004 . 2 . . . A 381 SER HB3 . 25499 1 273 . 1 1 27 27 SER CA C 13 56.598 0.014 . 1 . . . A 381 SER CA . 25499 1 274 . 1 1 27 27 SER CB C 13 66.425 0.001 . 1 . . . A 381 SER CB . 25499 1 275 . 1 1 27 27 SER N N 15 121.855 0.000 . 1 . . . A 381 SER N . 25499 1 276 . 1 1 28 28 ASN H H 1 8.339 0.004 . 1 . . . A 382 ASN H . 25499 1 277 . 1 1 28 28 ASN HA H 1 4.615 0.006 . 1 . . . A 382 ASN HA . 25499 1 278 . 1 1 28 28 ASN HB2 H 1 3.910 0.003 . 2 . . . A 382 ASN HB2 . 25499 1 279 . 1 1 28 28 ASN HB3 H 1 2.978 0.005 . 2 . . . A 382 ASN HB3 . 25499 1 280 . 1 1 28 28 ASN HD21 H 1 7.020 0.004 . 1 . . . A 382 ASN HD21 . 25499 1 281 . 1 1 28 28 ASN HD22 H 1 8.241 0.002 . 1 . . . A 382 ASN HD22 . 25499 1 282 . 1 1 28 28 ASN CA C 13 54.087 0.000 . 1 . . . A 382 ASN CA . 25499 1 283 . 1 1 28 28 ASN CB C 13 38.633 0.007 . 1 . . . A 382 ASN CB . 25499 1 284 . 1 1 28 28 ASN N N 15 115.900 0.000 . 1 . . . A 382 ASN N . 25499 1 285 . 1 1 28 28 ASN ND2 N 15 111.504 0.001 . 1 . . . A 382 ASN ND2 . 25499 1 286 . 1 1 29 29 LEU H H 1 9.077 0.002 . 1 . . . A 383 LEU H . 25499 1 287 . 1 1 29 29 LEU HA H 1 4.459 0.002 . 1 . . . A 383 LEU HA . 25499 1 288 . 1 1 29 29 LEU HB2 H 1 1.572 0.005 . 2 . . . A 383 LEU HB2 . 25499 1 289 . 1 1 29 29 LEU HG H 1 1.757 0.004 . 1 . . . A 383 LEU HG . 25499 1 290 . 1 1 29 29 LEU HD11 H 1 1.068 0.003 . 2 . . . A 383 LEU HD11 . 25499 1 291 . 1 1 29 29 LEU HD12 H 1 1.068 0.003 . 2 . . . A 383 LEU HD12 . 25499 1 292 . 1 1 29 29 LEU HD13 H 1 1.068 0.003 . 2 . . . A 383 LEU HD13 . 25499 1 293 . 1 1 29 29 LEU HD21 H 1 0.862 0.004 . 2 . . . A 383 LEU HD21 . 25499 1 294 . 1 1 29 29 LEU HD22 H 1 0.862 0.004 . 2 . . . A 383 LEU HD22 . 25499 1 295 . 1 1 29 29 LEU HD23 H 1 0.862 0.004 . 2 . . . A 383 LEU HD23 . 25499 1 296 . 1 1 29 29 LEU CA C 13 54.323 0.000 . 1 . . . A 383 LEU CA . 25499 1 297 . 1 1 29 29 LEU CB C 13 41.547 0.000 . 1 . . . A 383 LEU CB . 25499 1 298 . 1 1 29 29 LEU CG C 13 27.650 0.000 . 1 . . . A 383 LEU CG . 25499 1 299 . 1 1 29 29 LEU CD1 C 13 25.109 0.000 . 2 . . . A 383 LEU CD1 . 25499 1 300 . 1 1 29 29 LEU CD2 C 13 28.175 0.000 . 2 . . . A 383 LEU CD2 . 25499 1 301 . 1 1 29 29 LEU N N 15 115.831 0.000 . 1 . . . A 383 LEU N . 25499 1 302 . 1 1 30 30 PRO HA H 1 4.724 0.003 . 1 . . . A 384 PRO HA . 25499 1 303 . 1 1 30 30 PRO HB2 H 1 2.689 0.003 . 2 . . . A 384 PRO HB2 . 25499 1 304 . 1 1 30 30 PRO HB3 H 1 2.064 0.003 . 2 . . . A 384 PRO HB3 . 25499 1 305 . 1 1 30 30 PRO HG2 H 1 2.471 0.002 . 2 . . . A 384 PRO HG2 . 25499 1 306 . 1 1 30 30 PRO HG3 H 1 2.217 0.003 . 2 . . . A 384 PRO HG3 . 25499 1 307 . 1 1 30 30 PRO HD2 H 1 4.155 0.004 . 2 . . . A 384 PRO HD2 . 25499 1 308 . 1 1 30 30 PRO HD3 H 1 3.928 0.005 . 2 . . . A 384 PRO HD3 . 25499 1 309 . 1 1 30 30 PRO CA C 13 63.157 0.000 . 1 . . . A 384 PRO CA . 25499 1 310 . 1 1 30 30 PRO CB C 13 31.730 0.000 . 1 . . . A 384 PRO CB . 25499 1 311 . 1 1 30 30 PRO CG C 13 28.482 0.001 . 1 . . . A 384 PRO CG . 25499 1 312 . 1 1 30 30 PRO CD C 13 50.442 0.004 . 1 . . . A 384 PRO CD . 25499 1 313 . 1 1 31 31 PHE H H 1 9.537 0.003 . 1 . . . A 385 PHE H . 25499 1 314 . 1 1 31 31 PHE HA H 1 4.720 0.004 . 1 . . . A 385 PHE HA . 25499 1 315 . 1 1 31 31 PHE HB2 H 1 3.469 0.003 . 2 . . . A 385 PHE HB2 . 25499 1 316 . 1 1 31 31 PHE HB3 H 1 3.437 0.001 . 2 . . . A 385 PHE HB3 . 25499 1 317 . 1 1 31 31 PHE HD1 H 1 7.459 0.003 . 3 . . . A 385 PHE HD1 . 25499 1 318 . 1 1 31 31 PHE HD2 H 1 7.459 0.003 . 3 . . . A 385 PHE HD2 . 25499 1 319 . 1 1 31 31 PHE HE1 H 1 7.521 0.001 . 3 . . . A 385 PHE HE1 . 25499 1 320 . 1 1 31 31 PHE HE2 H 1 7.521 0.001 . 3 . . . A 385 PHE HE2 . 25499 1 321 . 1 1 31 31 PHE HZ H 1 7.513 0.001 . 1 . . . A 385 PHE HZ . 25499 1 322 . 1 1 31 31 PHE CA C 13 59.433 0.000 . 1 . . . A 385 PHE CA . 25499 1 323 . 1 1 31 31 PHE CB C 13 37.446 0.000 . 1 . . . A 385 PHE CB . 25499 1 324 . 1 1 31 31 PHE N N 15 126.487 0.000 . 1 . . . A 385 PHE N . 25499 1 325 . 1 1 32 32 SER H H 1 8.155 0.003 . 1 . . . A 386 SER H . 25499 1 326 . 1 1 32 32 SER HA H 1 4.583 0.006 . 1 . . . A 386 SER HA . 25499 1 327 . 1 1 32 32 SER HB2 H 1 4.383 0.005 . 2 . . . A 386 SER HB2 . 25499 1 328 . 1 1 32 32 SER HB3 H 1 4.049 0.005 . 2 . . . A 386 SER HB3 . 25499 1 329 . 1 1 32 32 SER CA C 13 58.530 0.000 . 1 . . . A 386 SER CA . 25499 1 330 . 1 1 32 32 SER CB C 13 63.170 0.007 . 1 . . . A 386 SER CB . 25499 1 331 . 1 1 32 32 SER N N 15 111.529 0.000 . 1 . . . A 386 SER N . 25499 1 332 . 1 1 33 33 THR H H 1 7.749 0.006 . 1 . . . A 387 THR H . 25499 1 333 . 1 1 33 33 THR HA H 1 4.219 0.003 . 1 . . . A 387 THR HA . 25499 1 334 . 1 1 33 33 THR HB H 1 4.241 0.005 . 1 . . . A 387 THR HB . 25499 1 335 . 1 1 33 33 THR HG1 H 1 6.179 0.005 . 1 . . . A 387 THR HG1 . 25499 1 336 . 1 1 33 33 THR HG21 H 1 1.657 0.002 . 1 . . . A 387 THR HG21 . 25499 1 337 . 1 1 33 33 THR HG22 H 1 1.657 0.002 . 1 . . . A 387 THR HG22 . 25499 1 338 . 1 1 33 33 THR HG23 H 1 1.657 0.002 . 1 . . . A 387 THR HG23 . 25499 1 339 . 1 1 33 33 THR CA C 13 65.865 0.000 . 1 . . . A 387 THR CA . 25499 1 340 . 1 1 33 33 THR CB C 13 69.511 0.000 . 1 . . . A 387 THR CB . 25499 1 341 . 1 1 33 33 THR CG2 C 13 22.461 0.000 . 1 . . . A 387 THR CG2 . 25499 1 342 . 1 1 33 33 THR N N 15 120.174 0.000 . 1 . . . A 387 THR N . 25499 1 343 . 1 1 34 34 ALA H H 1 9.811 0.001 . 1 . . . A 388 ALA H . 25499 1 344 . 1 1 34 34 ALA HA H 1 5.097 0.006 . 1 . . . A 388 ALA HA . 25499 1 345 . 1 1 34 34 ALA HB1 H 1 1.849 0.003 . 1 . . . A 388 ALA HB1 . 25499 1 346 . 1 1 34 34 ALA HB2 H 1 1.849 0.003 . 1 . . . A 388 ALA HB2 . 25499 1 347 . 1 1 34 34 ALA HB3 H 1 1.849 0.003 . 1 . . . A 388 ALA HB3 . 25499 1 348 . 1 1 34 34 ALA CA C 13 50.214 0.000 . 1 . . . A 388 ALA CA . 25499 1 349 . 1 1 34 34 ALA CB C 13 21.623 0.000 . 1 . . . A 388 ALA CB . 25499 1 350 . 1 1 34 34 ALA N N 15 131.537 0.000 . 1 . . . A 388 ALA N . 25499 1 351 . 1 1 35 35 LYS H H 1 9.292 0.002 . 1 . . . A 389 LYS H . 25499 1 352 . 1 1 35 35 LYS HA H 1 4.046 0.003 . 1 . . . A 389 LYS HA . 25499 1 353 . 1 1 35 35 LYS HB2 H 1 2.356 0.005 . 2 . . . A 389 LYS HB2 . 25499 1 354 . 1 1 35 35 LYS HB3 H 1 2.167 0.005 . 2 . . . A 389 LYS HB3 . 25499 1 355 . 1 1 35 35 LYS HG2 H 1 1.897 0.006 . 2 . . . A 389 LYS HG2 . 25499 1 356 . 1 1 35 35 LYS HG3 H 1 1.718 0.004 . 2 . . . A 389 LYS HG3 . 25499 1 357 . 1 1 35 35 LYS HD2 H 1 2.264 0.005 . 2 . . . A 389 LYS HD2 . 25499 1 358 . 1 1 35 35 LYS HD3 H 1 2.055 0.012 . 2 . . . A 389 LYS HD3 . 25499 1 359 . 1 1 35 35 LYS HE2 H 1 3.639 0.004 . 2 . . . A 389 LYS HE2 . 25499 1 360 . 1 1 35 35 LYS HE3 H 1 3.373 0.005 . 2 . . . A 389 LYS HE3 . 25499 1 361 . 1 1 35 35 LYS CA C 13 61.414 0.000 . 1 . . . A 389 LYS CA . 25499 1 362 . 1 1 35 35 LYS CB C 13 32.481 0.005 . 1 . . . A 389 LYS CB . 25499 1 363 . 1 1 35 35 LYS CG C 13 25.793 0.016 . 1 . . . A 389 LYS CG . 25499 1 364 . 1 1 35 35 LYS CD C 13 30.198 0.000 . 1 . . . A 389 LYS CD . 25499 1 365 . 1 1 35 35 LYS CE C 13 42.497 0.008 . 1 . . . A 389 LYS CE . 25499 1 366 . 1 1 35 35 LYS N N 15 123.180 0.000 . 1 . . . A 389 LYS N . 25499 1 367 . 1 1 36 36 SER H H 1 8.803 0.002 . 1 . . . A 390 SER H . 25499 1 368 . 1 1 36 36 SER HA H 1 4.451 0.003 . 1 . . . A 390 SER HA . 25499 1 369 . 1 1 36 36 SER HB2 H 1 4.248 0.004 . 2 . . . A 390 SER HB2 . 25499 1 370 . 1 1 36 36 SER HB3 H 1 4.087 0.005 . 2 . . . A 390 SER HB3 . 25499 1 371 . 1 1 36 36 SER CA C 13 61.697 0.000 . 1 . . . A 390 SER CA . 25499 1 372 . 1 1 36 36 SER CB C 13 61.736 0.005 . 1 . . . A 390 SER CB . 25499 1 373 . 1 1 36 36 SER N N 15 111.090 0.000 . 1 . . . A 390 SER N . 25499 1 374 . 1 1 37 37 ASP H H 1 7.309 0.003 . 1 . . . A 391 ASP H . 25499 1 375 . 1 1 37 37 ASP HA H 1 4.720 0.005 . 1 . . . A 391 ASP HA . 25499 1 376 . 1 1 37 37 ASP HB2 H 1 3.523 0.002 . 2 . . . A 391 ASP HB2 . 25499 1 377 . 1 1 37 37 ASP HB3 H 1 3.290 0.004 . 2 . . . A 391 ASP HB3 . 25499 1 378 . 1 1 37 37 ASP CA C 13 57.324 0.000 . 1 . . . A 391 ASP CA . 25499 1 379 . 1 1 37 37 ASP CB C 13 41.457 0.014 . 1 . . . A 391 ASP CB . 25499 1 380 . 1 1 37 37 ASP N N 15 120.920 0.000 . 1 . . . A 391 ASP N . 25499 1 381 . 1 1 38 38 LEU H H 1 8.117 0.002 . 1 . . . A 392 LEU H . 25499 1 382 . 1 1 38 38 LEU HA H 1 4.229 0.003 . 1 . . . A 392 LEU HA . 25499 1 383 . 1 1 38 38 LEU HB2 H 1 2.167 0.002 . 2 . . . A 392 LEU HB2 . 25499 1 384 . 1 1 38 38 LEU HB3 H 1 1.658 0.004 . 2 . . . A 392 LEU HB3 . 25499 1 385 . 1 1 38 38 LEU HG H 1 1.880 0.004 . 1 . . . A 392 LEU HG . 25499 1 386 . 1 1 38 38 LEU HD11 H 1 0.853 0.003 . 2 . . . A 392 LEU HD11 . 25499 1 387 . 1 1 38 38 LEU HD12 H 1 0.853 0.003 . 2 . . . A 392 LEU HD12 . 25499 1 388 . 1 1 38 38 LEU HD13 H 1 0.853 0.003 . 2 . . . A 392 LEU HD13 . 25499 1 389 . 1 1 38 38 LEU HD21 H 1 0.834 0.003 . 2 . . . A 392 LEU HD21 . 25499 1 390 . 1 1 38 38 LEU HD22 H 1 0.834 0.003 . 2 . . . A 392 LEU HD22 . 25499 1 391 . 1 1 38 38 LEU HD23 H 1 0.834 0.003 . 2 . . . A 392 LEU HD23 . 25499 1 392 . 1 1 38 38 LEU CA C 13 57.555 0.000 . 1 . . . A 392 LEU CA . 25499 1 393 . 1 1 38 38 LEU CB C 13 42.327 0.003 . 1 . . . A 392 LEU CB . 25499 1 394 . 1 1 38 38 LEU CD1 C 13 26.218 0.081 . 2 . . . A 392 LEU CD1 . 25499 1 395 . 1 1 38 38 LEU CD2 C 13 24.171 0.000 . 2 . . . A 392 LEU CD2 . 25499 1 396 . 1 1 38 38 LEU N N 15 118.028 0.000 . 1 . . . A 392 LEU N . 25499 1 397 . 1 1 39 39 TYR H H 1 7.979 0.002 . 1 . . . A 393 TYR H . 25499 1 398 . 1 1 39 39 TYR HA H 1 3.983 0.003 . 1 . . . A 393 TYR HA . 25499 1 399 . 1 1 39 39 TYR HB2 H 1 3.288 0.002 . 2 . . . A 393 TYR HB2 . 25499 1 400 . 1 1 39 39 TYR HB3 H 1 3.226 0.003 . 2 . . . A 393 TYR HB3 . 25499 1 401 . 1 1 39 39 TYR HD1 H 1 7.423 0.002 . 3 . . . A 393 TYR HD1 . 25499 1 402 . 1 1 39 39 TYR HD2 H 1 7.423 0.002 . 3 . . . A 393 TYR HD2 . 25499 1 403 . 1 1 39 39 TYR HE1 H 1 6.925 0.003 . 3 . . . A 393 TYR HE1 . 25499 1 404 . 1 1 39 39 TYR HE2 H 1 6.925 0.003 . 3 . . . A 393 TYR HE2 . 25499 1 405 . 1 1 39 39 TYR CA C 13 64.047 0.000 . 1 . . . A 393 TYR CA . 25499 1 406 . 1 1 39 39 TYR CB C 13 38.014 0.010 . 1 . . . A 393 TYR CB . 25499 1 407 . 1 1 39 39 TYR N N 15 118.029 0.000 . 1 . . . A 393 TYR N . 25499 1 408 . 1 1 40 40 ASP H H 1 8.104 0.002 . 1 . . . A 394 ASP H . 25499 1 409 . 1 1 40 40 ASP HA H 1 4.564 0.004 . 1 . . . A 394 ASP HA . 25499 1 410 . 1 1 40 40 ASP HB2 H 1 3.082 0.003 . 2 . . . A 394 ASP HB2 . 25499 1 411 . 1 1 40 40 ASP HB3 H 1 2.932 0.006 . 2 . . . A 394 ASP HB3 . 25499 1 412 . 1 1 40 40 ASP CA C 13 57.607 0.000 . 1 . . . A 394 ASP CA . 25499 1 413 . 1 1 40 40 ASP CB C 13 40.619 0.000 . 1 . . . A 394 ASP CB . 25499 1 414 . 1 1 40 40 ASP N N 15 117.161 0.000 . 1 . . . A 394 ASP N . 25499 1 415 . 1 1 41 41 LEU H H 1 7.967 0.002 . 1 . . . A 395 LEU H . 25499 1 416 . 1 1 41 41 LEU HA H 1 4.363 0.002 . 1 . . . A 395 LEU HA . 25499 1 417 . 1 1 41 41 LEU HB2 H 1 1.624 0.003 . 2 . . . A 395 LEU HB2 . 25499 1 418 . 1 1 41 41 LEU HB3 H 1 1.421 0.003 . 2 . . . A 395 LEU HB3 . 25499 1 419 . 1 1 41 41 LEU HG H 1 0.504 0.003 . 1 . . . A 395 LEU HG . 25499 1 420 . 1 1 41 41 LEU HD11 H 1 0.621 0.002 . 2 . . . A 395 LEU HD11 . 25499 1 421 . 1 1 41 41 LEU HD12 H 1 0.621 0.002 . 2 . . . A 395 LEU HD12 . 25499 1 422 . 1 1 41 41 LEU HD13 H 1 0.621 0.002 . 2 . . . A 395 LEU HD13 . 25499 1 423 . 1 1 41 41 LEU HD21 H 1 -0.020 0.002 . 2 . . . A 395 LEU HD21 . 25499 1 424 . 1 1 41 41 LEU HD22 H 1 -0.020 0.002 . 2 . . . A 395 LEU HD22 . 25499 1 425 . 1 1 41 41 LEU HD23 H 1 -0.020 0.002 . 2 . . . A 395 LEU HD23 . 25499 1 426 . 1 1 41 41 LEU CA C 13 57.470 0.000 . 1 . . . A 395 LEU CA . 25499 1 427 . 1 1 41 41 LEU CB C 13 42.586 0.003 . 1 . . . A 395 LEU CB . 25499 1 428 . 1 1 41 41 LEU CG C 13 26.176 0.000 . 1 . . . A 395 LEU CG . 25499 1 429 . 1 1 41 41 LEU CD1 C 13 21.892 0.000 . 2 . . . A 395 LEU CD1 . 25499 1 430 . 1 1 41 41 LEU CD2 C 13 24.594 0.000 . 2 . . . A 395 LEU CD2 . 25499 1 431 . 1 1 41 41 LEU N N 15 117.683 0.000 . 1 . . . A 395 LEU N . 25499 1 432 . 1 1 42 42 PHE H H 1 8.825 0.005 . 1 . . . A 396 PHE H . 25499 1 433 . 1 1 42 42 PHE HA H 1 4.223 0.003 . 1 . . . A 396 PHE HA . 25499 1 434 . 1 1 42 42 PHE HB2 H 1 3.169 0.004 . 2 . . . A 396 PHE HB2 . 25499 1 435 . 1 1 42 42 PHE HB3 H 1 2.837 0.003 . 2 . . . A 396 PHE HB3 . 25499 1 436 . 1 1 42 42 PHE HD1 H 1 7.970 0.002 . 3 . . . A 396 PHE HD1 . 25499 1 437 . 1 1 42 42 PHE HD2 H 1 7.970 0.002 . 3 . . . A 396 PHE HD2 . 25499 1 438 . 1 1 42 42 PHE HE1 H 1 7.137 0.002 . 3 . . . A 396 PHE HE1 . 25499 1 439 . 1 1 42 42 PHE HE2 H 1 7.137 0.002 . 3 . . . A 396 PHE HE2 . 25499 1 440 . 1 1 42 42 PHE HZ H 1 7.307 0.002 . 1 . . . A 396 PHE HZ . 25499 1 441 . 1 1 42 42 PHE CA C 13 63.243 0.000 . 1 . . . A 396 PHE CA . 25499 1 442 . 1 1 42 42 PHE CB C 13 37.506 0.000 . 1 . . . A 396 PHE CB . 25499 1 443 . 1 1 42 42 PHE N N 15 116.010 0.000 . 1 . . . A 396 PHE N . 25499 1 444 . 1 1 43 43 GLU H H 1 9.212 0.003 . 1 . . . A 397 GLU H . 25499 1 445 . 1 1 43 43 GLU HA H 1 5.502 0.005 . 1 . . . A 397 GLU HA . 25499 1 446 . 1 1 43 43 GLU HB2 H 1 2.615 0.004 . 2 . . . A 397 GLU HB2 . 25499 1 447 . 1 1 43 43 GLU HB3 H 1 2.418 0.004 . 2 . . . A 397 GLU HB3 . 25499 1 448 . 1 1 43 43 GLU HG2 H 1 2.870 0.004 . 2 . . . A 397 GLU HG2 . 25499 1 449 . 1 1 43 43 GLU HG3 H 1 2.750 0.003 . 2 . . . A 397 GLU HG3 . 25499 1 450 . 1 1 43 43 GLU CA C 13 58.463 0.000 . 1 . . . A 397 GLU CA . 25499 1 451 . 1 1 43 43 GLU CB C 13 28.981 0.002 . 1 . . . A 397 GLU CB . 25499 1 452 . 1 1 43 43 GLU CG C 13 39.202 0.015 . 1 . . . A 397 GLU CG . 25499 1 453 . 1 1 43 43 GLU N N 15 120.436 0.000 . 1 . . . A 397 GLU N . 25499 1 454 . 1 1 44 44 THR H H 1 7.480 0.002 . 1 . . . A 398 THR H . 25499 1 455 . 1 1 44 44 THR HA H 1 4.338 0.004 . 1 . . . A 398 THR HA . 25499 1 456 . 1 1 44 44 THR HB H 1 4.389 0.004 . 1 . . . A 398 THR HB . 25499 1 457 . 1 1 44 44 THR HG1 H 1 5.433 0.002 . 1 . . . A 398 THR HG1 . 25499 1 458 . 1 1 44 44 THR HG21 H 1 1.679 0.001 . 1 . . . A 398 THR HG21 . 25499 1 459 . 1 1 44 44 THR HG22 H 1 1.679 0.001 . 1 . . . A 398 THR HG22 . 25499 1 460 . 1 1 44 44 THR HG23 H 1 1.679 0.001 . 1 . . . A 398 THR HG23 . 25499 1 461 . 1 1 44 44 THR CA C 13 64.804 0.000 . 1 . . . A 398 THR CA . 25499 1 462 . 1 1 44 44 THR CB C 13 69.590 0.000 . 1 . . . A 398 THR CB . 25499 1 463 . 1 1 44 44 THR CG2 C 13 21.343 0.000 . 1 . . . A 398 THR CG2 . 25499 1 464 . 1 1 44 44 THR N N 15 109.592 0.000 . 1 . . . A 398 THR N . 25499 1 465 . 1 1 45 45 ILE H H 1 7.296 0.005 . 1 . . . A 399 ILE H . 25499 1 466 . 1 1 45 45 ILE HA H 1 4.134 0.002 . 1 . . . A 399 ILE HA . 25499 1 467 . 1 1 45 45 ILE HB H 1 2.347 0.003 . 1 . . . A 399 ILE HB . 25499 1 468 . 1 1 45 45 ILE HG12 H 1 1.745 0.004 . 2 . . . A 399 ILE HG12 . 25499 1 469 . 1 1 45 45 ILE HG13 H 1 1.480 0.002 . 2 . . . A 399 ILE HG13 . 25499 1 470 . 1 1 45 45 ILE HG21 H 1 0.915 0.003 . 1 . . . A 399 ILE HG21 . 25499 1 471 . 1 1 45 45 ILE HG22 H 1 0.915 0.003 . 1 . . . A 399 ILE HG22 . 25499 1 472 . 1 1 45 45 ILE HG23 H 1 0.915 0.003 . 1 . . . A 399 ILE HG23 . 25499 1 473 . 1 1 45 45 ILE HD11 H 1 0.820 0.005 . 1 . . . A 399 ILE HD11 . 25499 1 474 . 1 1 45 45 ILE HD12 H 1 0.820 0.005 . 1 . . . A 399 ILE HD12 . 25499 1 475 . 1 1 45 45 ILE HD13 H 1 0.820 0.005 . 1 . . . A 399 ILE HD13 . 25499 1 476 . 1 1 45 45 ILE CA C 13 60.923 0.000 . 1 . . . A 399 ILE CA . 25499 1 477 . 1 1 45 45 ILE CB C 13 37.587 0.000 . 1 . . . A 399 ILE CB . 25499 1 478 . 1 1 45 45 ILE CG1 C 13 27.788 0.033 . 1 . . . A 399 ILE CG1 . 25499 1 479 . 1 1 45 45 ILE CG2 C 13 18.826 0.000 . 1 . . . A 399 ILE CG2 . 25499 1 480 . 1 1 45 45 ILE CD1 C 13 10.184 0.000 . 1 . . . A 399 ILE CD1 . 25499 1 481 . 1 1 45 45 ILE N N 15 119.695 0.000 . 1 . . . A 399 ILE N . 25499 1 482 . 1 1 46 46 GLY H H 1 7.314 0.002 . 1 . . . A 400 GLY H . 25499 1 483 . 1 1 46 46 GLY HA2 H 1 4.304 0.001 . 2 . . . A 400 GLY HA2 . 25499 1 484 . 1 1 46 46 GLY HA3 H 1 4.227 0.003 . 2 . . . A 400 GLY HA3 . 25499 1 485 . 1 1 46 46 GLY CA C 13 44.798 0.004 . 1 . . . A 400 GLY CA . 25499 1 486 . 1 1 46 46 GLY N N 15 104.024 0.000 . 1 . . . A 400 GLY N . 25499 1 487 . 1 1 47 47 LYS H H 1 8.481 0.002 . 1 . . . A 401 LYS H . 25499 1 488 . 1 1 47 47 LYS HA H 1 4.494 0.002 . 1 . . . A 401 LYS HA . 25499 1 489 . 1 1 47 47 LYS HB2 H 1 2.154 0.004 . 2 . . . A 401 LYS HB2 . 25499 1 490 . 1 1 47 47 LYS HG2 H 1 1.707 0.004 . 2 . . . A 401 LYS HG2 . 25499 1 491 . 1 1 47 47 LYS HG3 H 1 1.598 0.003 . 2 . . . A 401 LYS HG3 . 25499 1 492 . 1 1 47 47 LYS HD2 H 1 2.041 0.005 . 2 . . . A 401 LYS HD2 . 25499 1 493 . 1 1 47 47 LYS HD3 H 1 1.920 0.018 . 2 . . . A 401 LYS HD3 . 25499 1 494 . 1 1 47 47 LYS HE2 H 1 3.292 0.004 . 2 . . . A 401 LYS HE2 . 25499 1 495 . 1 1 47 47 LYS CA C 13 58.091 0.000 . 1 . . . A 401 LYS CA . 25499 1 496 . 1 1 47 47 LYS CB C 13 33.144 0.000 . 1 . . . A 401 LYS CB . 25499 1 497 . 1 1 47 47 LYS CG C 13 24.821 0.004 . 1 . . . A 401 LYS CG . 25499 1 498 . 1 1 47 47 LYS CD C 13 29.218 0.001 . 1 . . . A 401 LYS CD . 25499 1 499 . 1 1 47 47 LYS CE C 13 42.256 0.000 . 1 . . . A 401 LYS CE . 25499 1 500 . 1 1 47 47 LYS N N 15 117.442 0.000 . 1 . . . A 401 LYS N . 25499 1 501 . 1 1 48 48 VAL H H 1 9.525 0.002 . 1 . . . A 402 VAL H . 25499 1 502 . 1 1 48 48 VAL HA H 1 4.204 0.002 . 1 . . . A 402 VAL HA . 25499 1 503 . 1 1 48 48 VAL HB H 1 2.091 0.002 . 1 . . . A 402 VAL HB . 25499 1 504 . 1 1 48 48 VAL HG11 H 1 0.681 0.002 . 2 . . . A 402 VAL HG11 . 25499 1 505 . 1 1 48 48 VAL HG12 H 1 0.681 0.002 . 2 . . . A 402 VAL HG12 . 25499 1 506 . 1 1 48 48 VAL HG13 H 1 0.681 0.002 . 2 . . . A 402 VAL HG13 . 25499 1 507 . 1 1 48 48 VAL HG21 H 1 0.465 0.004 . 2 . . . A 402 VAL HG21 . 25499 1 508 . 1 1 48 48 VAL HG22 H 1 0.465 0.004 . 2 . . . A 402 VAL HG22 . 25499 1 509 . 1 1 48 48 VAL HG23 H 1 0.465 0.004 . 2 . . . A 402 VAL HG23 . 25499 1 510 . 1 1 48 48 VAL CA C 13 61.597 0.000 . 1 . . . A 402 VAL CA . 25499 1 511 . 1 1 48 48 VAL CB C 13 34.120 0.000 . 1 . . . A 402 VAL CB . 25499 1 512 . 1 1 48 48 VAL CG1 C 13 22.960 0.000 . 2 . . . A 402 VAL CG1 . 25499 1 513 . 1 1 48 48 VAL CG2 C 13 22.986 0.000 . 2 . . . A 402 VAL CG2 . 25499 1 514 . 1 1 48 48 VAL N N 15 129.759 0.000 . 1 . . . A 402 VAL N . 25499 1 515 . 1 1 49 49 ASN H H 1 9.127 0.002 . 1 . . . A 403 ASN H . 25499 1 516 . 1 1 49 49 ASN HA H 1 4.950 0.007 . 1 . . . A 403 ASN HA . 25499 1 517 . 1 1 49 49 ASN HB2 H 1 2.939 0.003 . 2 . . . A 403 ASN HB2 . 25499 1 518 . 1 1 49 49 ASN HB3 H 1 2.658 0.003 . 2 . . . A 403 ASN HB3 . 25499 1 519 . 1 1 49 49 ASN HD21 H 1 8.010 0.001 . 1 . . . A 403 ASN HD21 . 25499 1 520 . 1 1 49 49 ASN HD22 H 1 7.772 0.002 . 1 . . . A 403 ASN HD22 . 25499 1 521 . 1 1 49 49 ASN CA C 13 54.198 0.000 . 1 . . . A 403 ASN CA . 25499 1 522 . 1 1 49 49 ASN CB C 13 39.398 0.007 . 1 . . . A 403 ASN CB . 25499 1 523 . 1 1 49 49 ASN N N 15 125.421 0.000 . 1 . . . A 403 ASN N . 25499 1 524 . 1 1 49 49 ASN ND2 N 15 110.798 0.004 . 1 . . . A 403 ASN ND2 . 25499 1 525 . 1 1 50 50 ASN H H 1 7.571 0.002 . 1 . . . A 404 ASN H . 25499 1 526 . 1 1 50 50 ASN HA H 1 4.935 0.007 . 1 . . . A 404 ASN HA . 25499 1 527 . 1 1 50 50 ASN HB2 H 1 2.687 0.003 . 2 . . . A 404 ASN HB2 . 25499 1 528 . 1 1 50 50 ASN HB3 H 1 2.001 0.004 . 2 . . . A 404 ASN HB3 . 25499 1 529 . 1 1 50 50 ASN HD21 H 1 6.893 0.002 . 1 . . . A 404 ASN HD21 . 25499 1 530 . 1 1 50 50 ASN HD22 H 1 6.636 0.002 . 1 . . . A 404 ASN HD22 . 25499 1 531 . 1 1 50 50 ASN CA C 13 52.914 0.000 . 1 . . . A 404 ASN CA . 25499 1 532 . 1 1 50 50 ASN CB C 13 42.671 0.000 . 1 . . . A 404 ASN CB . 25499 1 533 . 1 1 50 50 ASN N N 15 114.950 0.000 . 1 . . . A 404 ASN N . 25499 1 534 . 1 1 50 50 ASN ND2 N 15 112.054 0.002 . 1 . . . A 404 ASN ND2 . 25499 1 535 . 1 1 51 51 ALA H H 1 8.214 0.003 . 1 . . . A 405 ALA H . 25499 1 536 . 1 1 51 51 ALA HA H 1 5.218 0.003 . 1 . . . A 405 ALA HA . 25499 1 537 . 1 1 51 51 ALA HB1 H 1 0.913 0.002 . 1 . . . A 405 ALA HB1 . 25499 1 538 . 1 1 51 51 ALA HB2 H 1 0.913 0.002 . 1 . . . A 405 ALA HB2 . 25499 1 539 . 1 1 51 51 ALA HB3 H 1 0.913 0.002 . 1 . . . A 405 ALA HB3 . 25499 1 540 . 1 1 51 51 ALA CA C 13 51.957 0.000 . 1 . . . A 405 ALA CA . 25499 1 541 . 1 1 51 51 ALA CB C 13 21.305 0.000 . 1 . . . A 405 ALA CB . 25499 1 542 . 1 1 51 51 ALA N N 15 125.156 0.000 . 1 . . . A 405 ALA N . 25499 1 543 . 1 1 52 52 GLU H H 1 8.524 0.003 . 1 . . . A 406 GLU H . 25499 1 544 . 1 1 52 52 GLU HA H 1 4.941 0.007 . 1 . . . A 406 GLU HA . 25499 1 545 . 1 1 52 52 GLU HB2 H 1 2.570 0.003 . 2 . . . A 406 GLU HB2 . 25499 1 546 . 1 1 52 52 GLU HB3 H 1 2.292 0.004 . 2 . . . A 406 GLU HB3 . 25499 1 547 . 1 1 52 52 GLU HG2 H 1 2.434 0.006 . 2 . . . A 406 GLU HG2 . 25499 1 548 . 1 1 52 52 GLU HG3 H 1 1.848 0.004 . 2 . . . A 406 GLU HG3 . 25499 1 549 . 1 1 52 52 GLU CA C 13 54.067 0.000 . 1 . . . A 406 GLU CA . 25499 1 550 . 1 1 52 52 GLU CB C 13 35.532 0.024 . 1 . . . A 406 GLU CB . 25499 1 551 . 1 1 52 52 GLU CG C 13 35.715 0.009 . 1 . . . A 406 GLU CG . 25499 1 552 . 1 1 52 52 GLU N N 15 117.348 0.000 . 1 . . . A 406 GLU N . 25499 1 553 . 1 1 53 53 LEU H H 1 9.193 0.002 . 1 . . . A 407 LEU H . 25499 1 554 . 1 1 53 53 LEU HA H 1 4.787 0.004 . 1 . . . A 407 LEU HA . 25499 1 555 . 1 1 53 53 LEU HB2 H 1 1.728 0.002 . 2 . . . A 407 LEU HB2 . 25499 1 556 . 1 1 53 53 LEU HB3 H 1 1.273 0.003 . 2 . . . A 407 LEU HB3 . 25499 1 557 . 1 1 53 53 LEU HG H 1 1.752 0.002 . 1 . . . A 407 LEU HG . 25499 1 558 . 1 1 53 53 LEU HD11 H 1 1.074 0.004 . 2 . . . A 407 LEU HD11 . 25499 1 559 . 1 1 53 53 LEU HD12 H 1 1.074 0.004 . 2 . . . A 407 LEU HD12 . 25499 1 560 . 1 1 53 53 LEU HD13 H 1 1.074 0.004 . 2 . . . A 407 LEU HD13 . 25499 1 561 . 1 1 53 53 LEU HD21 H 1 0.972 0.003 . 2 . . . A 407 LEU HD21 . 25499 1 562 . 1 1 53 53 LEU HD22 H 1 0.972 0.003 . 2 . . . A 407 LEU HD22 . 25499 1 563 . 1 1 53 53 LEU HD23 H 1 0.972 0.003 . 2 . . . A 407 LEU HD23 . 25499 1 564 . 1 1 53 53 LEU CA C 13 54.610 0.000 . 1 . . . A 407 LEU CA . 25499 1 565 . 1 1 53 53 LEU CB C 13 43.028 0.006 . 1 . . . A 407 LEU CB . 25499 1 566 . 1 1 53 53 LEU CG C 13 28.157 0.000 . 1 . . . A 407 LEU CG . 25499 1 567 . 1 1 53 53 LEU CD1 C 13 25.938 0.000 . 2 . . . A 407 LEU CD1 . 25499 1 568 . 1 1 53 53 LEU CD2 C 13 24.485 0.000 . 2 . . . A 407 LEU CD2 . 25499 1 569 . 1 1 53 53 LEU N N 15 121.658 0.000 . 1 . . . A 407 LEU N . 25499 1 570 . 1 1 54 54 ARG H H 1 8.543 0.002 . 1 . . . A 408 ARG H . 25499 1 571 . 1 1 54 54 ARG HA H 1 4.692 0.003 . 1 . . . A 408 ARG HA . 25499 1 572 . 1 1 54 54 ARG HB2 H 1 1.894 0.003 . 2 . . . A 408 ARG HB2 . 25499 1 573 . 1 1 54 54 ARG HB3 H 1 1.617 0.003 . 2 . . . A 408 ARG HB3 . 25499 1 574 . 1 1 54 54 ARG HG2 H 1 1.897 0.006 . 2 . . . A 408 ARG HG2 . 25499 1 575 . 1 1 54 54 ARG HG3 H 1 1.619 0.002 . 2 . . . A 408 ARG HG3 . 25499 1 576 . 1 1 54 54 ARG HD2 H 1 3.497 0.002 . 2 . . . A 408 ARG HD2 . 25499 1 577 . 1 1 54 54 ARG HD3 H 1 3.308 0.006 . 2 . . . A 408 ARG HD3 . 25499 1 578 . 1 1 54 54 ARG HE H 1 6.930 0.006 . 1 . . . A 408 ARG HE . 25499 1 579 . 1 1 54 54 ARG CA C 13 55.373 0.000 . 1 . . . A 408 ARG CA . 25499 1 580 . 1 1 54 54 ARG CB C 13 31.488 0.001 . 1 . . . A 408 ARG CB . 25499 1 581 . 1 1 54 54 ARG CG C 13 27.404 0.028 . 1 . . . A 408 ARG CG . 25499 1 582 . 1 1 54 54 ARG CD C 13 44.063 0.001 . 1 . . . A 408 ARG CD . 25499 1 583 . 1 1 54 54 ARG N N 15 120.236 0.000 . 1 . . . A 408 ARG N . 25499 1 584 . 1 1 54 54 ARG NE N 15 83.371 0.000 . 1 . . . A 408 ARG NE . 25499 1 585 . 1 1 55 55 TYR H H 1 9.225 0.002 . 1 . . . A 409 TYR H . 25499 1 586 . 1 1 55 55 TYR HA H 1 5.357 0.003 . 1 . . . A 409 TYR HA . 25499 1 587 . 1 1 55 55 TYR HB2 H 1 2.983 0.001 . 2 . . . A 409 TYR HB2 . 25499 1 588 . 1 1 55 55 TYR HD1 H 1 7.119 0.002 . 3 . . . A 409 TYR HD1 . 25499 1 589 . 1 1 55 55 TYR HD2 H 1 7.119 0.002 . 3 . . . A 409 TYR HD2 . 25499 1 590 . 1 1 55 55 TYR HE1 H 1 7.031 0.003 . 3 . . . A 409 TYR HE1 . 25499 1 591 . 1 1 55 55 TYR HE2 H 1 7.031 0.003 . 3 . . . A 409 TYR HE2 . 25499 1 592 . 1 1 55 55 TYR CA C 13 57.021 0.000 . 1 . . . A 409 TYR CA . 25499 1 593 . 1 1 55 55 TYR CB C 13 41.020 0.000 . 1 . . . A 409 TYR CB . 25499 1 594 . 1 1 55 55 TYR N N 15 129.582 0.000 . 1 . . . A 409 TYR N . 25499 1 595 . 1 1 56 56 ASP H H 1 9.465 0.002 . 1 . . . A 410 ASP H . 25499 1 596 . 1 1 56 56 ASP HA H 1 4.879 0.005 . 1 . . . A 410 ASP HA . 25499 1 597 . 1 1 56 56 ASP HB2 H 1 3.636 0.002 . 2 . . . A 410 ASP HB2 . 25499 1 598 . 1 1 56 56 ASP HB3 H 1 2.789 0.002 . 2 . . . A 410 ASP HB3 . 25499 1 599 . 1 1 56 56 ASP CA C 13 52.763 0.000 . 1 . . . A 410 ASP CA . 25499 1 600 . 1 1 56 56 ASP CB C 13 41.036 0.001 . 1 . . . A 410 ASP CB . 25499 1 601 . 1 1 56 56 ASP N N 15 121.492 0.000 . 1 . . . A 410 ASP N . 25499 1 602 . 1 1 57 57 SER H H 1 8.707 0.003 . 1 . . . A 411 SER H . 25499 1 603 . 1 1 57 57 SER HA H 1 4.466 0.005 . 1 . . . A 411 SER HA . 25499 1 604 . 1 1 57 57 SER HB2 H 1 4.273 0.004 . 2 . . . A 411 SER HB2 . 25499 1 605 . 1 1 57 57 SER HB3 H 1 4.225 0.006 . 2 . . . A 411 SER HB3 . 25499 1 606 . 1 1 57 57 SER CA C 13 61.313 0.000 . 1 . . . A 411 SER CA . 25499 1 607 . 1 1 57 57 SER CB C 13 62.961 0.001 . 1 . . . A 411 SER CB . 25499 1 608 . 1 1 57 57 SER N N 15 112.941 0.000 . 1 . . . A 411 SER N . 25499 1 609 . 1 1 58 58 LYS H H 1 8.522 0.002 . 1 . . . A 412 LYS H . 25499 1 610 . 1 1 58 58 LYS HA H 1 4.784 0.002 . 1 . . . A 412 LYS HA . 25499 1 611 . 1 1 58 58 LYS HB2 H 1 2.251 0.012 . 2 . . . A 412 LYS HB2 . 25499 1 612 . 1 1 58 58 LYS HB3 H 1 2.202 0.002 . 2 . . . A 412 LYS HB3 . 25499 1 613 . 1 1 58 58 LYS HG2 H 1 1.683 0.002 . 2 . . . A 412 LYS HG2 . 25499 1 614 . 1 1 58 58 LYS HD2 H 1 1.918 0.003 . 2 . . . A 412 LYS HD2 . 25499 1 615 . 1 1 58 58 LYS HE2 H 1 3.235 0.006 . 2 . . . A 412 LYS HE2 . 25499 1 616 . 1 1 58 58 LYS CA C 13 55.545 0.000 . 1 . . . A 412 LYS CA . 25499 1 617 . 1 1 58 58 LYS CB C 13 32.453 0.001 . 1 . . . A 412 LYS CB . 25499 1 618 . 1 1 58 58 LYS CG C 13 25.194 0.000 . 1 . . . A 412 LYS CG . 25499 1 619 . 1 1 58 58 LYS CD C 13 28.933 0.000 . 1 . . . A 412 LYS CD . 25499 1 620 . 1 1 58 58 LYS CE C 13 42.237 0.000 . 1 . . . A 412 LYS CE . 25499 1 621 . 1 1 58 58 LYS N N 15 120.869 0.000 . 1 . . . A 412 LYS N . 25499 1 622 . 1 1 59 59 GLY H H 1 8.530 0.002 . 1 . . . A 413 GLY H . 25499 1 623 . 1 1 59 59 GLY HA2 H 1 4.428 0.004 . 2 . . . A 413 GLY HA2 . 25499 1 624 . 1 1 59 59 GLY HA3 H 1 3.802 0.003 . 2 . . . A 413 GLY HA3 . 25499 1 625 . 1 1 59 59 GLY CA C 13 45.595 0.003 . 1 . . . A 413 GLY CA . 25499 1 626 . 1 1 59 59 GLY N N 15 109.362 0.000 . 1 . . . A 413 GLY N . 25499 1 627 . 1 1 60 60 ALA H H 1 8.973 0.002 . 1 . . . A 414 ALA H . 25499 1 628 . 1 1 60 60 ALA HA H 1 5.094 0.007 . 1 . . . A 414 ALA HA . 25499 1 629 . 1 1 60 60 ALA HB1 H 1 1.728 0.002 . 1 . . . A 414 ALA HB1 . 25499 1 630 . 1 1 60 60 ALA HB2 H 1 1.728 0.002 . 1 . . . A 414 ALA HB2 . 25499 1 631 . 1 1 60 60 ALA HB3 H 1 1.728 0.002 . 1 . . . A 414 ALA HB3 . 25499 1 632 . 1 1 60 60 ALA CA C 13 50.147 0.000 . 1 . . . A 414 ALA CA . 25499 1 633 . 1 1 60 60 ALA CB C 13 18.468 0.000 . 1 . . . A 414 ALA CB . 25499 1 634 . 1 1 60 60 ALA N N 15 126.379 0.000 . 1 . . . A 414 ALA N . 25499 1 635 . 1 1 61 61 PRO HA H 1 4.612 0.003 . 1 . . . A 415 PRO HA . 25499 1 636 . 1 1 61 61 PRO HB2 H 1 2.640 0.004 . 2 . . . A 415 PRO HB2 . 25499 1 637 . 1 1 61 61 PRO HB3 H 1 1.907 0.004 . 2 . . . A 415 PRO HB3 . 25499 1 638 . 1 1 61 61 PRO HG2 H 1 2.396 0.006 . 2 . . . A 415 PRO HG2 . 25499 1 639 . 1 1 61 61 PRO HG3 H 1 2.238 0.003 . 2 . . . A 415 PRO HG3 . 25499 1 640 . 1 1 61 61 PRO HD2 H 1 4.218 0.003 . 2 . . . A 415 PRO HD2 . 25499 1 641 . 1 1 61 61 PRO HD3 H 1 3.941 0.005 . 2 . . . A 415 PRO HD3 . 25499 1 642 . 1 1 61 61 PRO CA C 13 63.235 0.000 . 1 . . . A 415 PRO CA . 25499 1 643 . 1 1 61 61 PRO CB C 13 33.214 0.002 . 1 . . . A 415 PRO CB . 25499 1 644 . 1 1 61 61 PRO CG C 13 28.030 0.005 . 1 . . . A 415 PRO CG . 25499 1 645 . 1 1 61 61 PRO CD C 13 50.642 0.005 . 1 . . . A 415 PRO CD . 25499 1 646 . 1 1 62 62 THR H H 1 8.057 0.002 . 1 . . . A 416 THR H . 25499 1 647 . 1 1 62 62 THR HA H 1 4.626 0.008 . 1 . . . A 416 THR HA . 25499 1 648 . 1 1 62 62 THR HB H 1 4.534 0.004 . 1 . . . A 416 THR HB . 25499 1 649 . 1 1 62 62 THR HG1 H 1 4.803 0.004 . 1 . . . A 416 THR HG1 . 25499 1 650 . 1 1 62 62 THR HG21 H 1 1.378 0.003 . 1 . . . A 416 THR HG21 . 25499 1 651 . 1 1 62 62 THR HG22 H 1 1.378 0.003 . 1 . . . A 416 THR HG22 . 25499 1 652 . 1 1 62 62 THR HG23 H 1 1.378 0.003 . 1 . . . A 416 THR HG23 . 25499 1 653 . 1 1 62 62 THR CA C 13 61.766 0.000 . 1 . . . A 416 THR CA . 25499 1 654 . 1 1 62 62 THR CB C 13 72.228 0.000 . 1 . . . A 416 THR CB . 25499 1 655 . 1 1 62 62 THR CG2 C 13 21.528 0.000 . 1 . . . A 416 THR CG2 . 25499 1 656 . 1 1 62 62 THR N N 15 105.947 0.000 . 1 . . . A 416 THR N . 25499 1 657 . 1 1 63 63 GLY H H 1 8.619 0.004 . 1 . . . A 417 GLY H . 25499 1 658 . 1 1 63 63 GLY HA2 H 1 4.603 0.006 . 2 . . . A 417 GLY HA2 . 25499 1 659 . 1 1 63 63 GLY HA3 H 1 4.063 0.005 . 2 . . . A 417 GLY HA3 . 25499 1 660 . 1 1 63 63 GLY CA C 13 46.439 0.002 . 1 . . . A 417 GLY CA . 25499 1 661 . 1 1 63 63 GLY N N 15 113.129 0.000 . 1 . . . A 417 GLY N . 25499 1 662 . 1 1 64 64 ILE H H 1 7.655 0.003 . 1 . . . A 418 ILE H . 25499 1 663 . 1 1 64 64 ILE HA H 1 5.250 0.006 . 1 . . . A 418 ILE HA . 25499 1 664 . 1 1 64 64 ILE HB H 1 1.814 0.004 . 1 . . . A 418 ILE HB . 25499 1 665 . 1 1 64 64 ILE HG12 H 1 1.694 0.003 . 2 . . . A 418 ILE HG12 . 25499 1 666 . 1 1 64 64 ILE HG13 H 1 1.176 0.003 . 2 . . . A 418 ILE HG13 . 25499 1 667 . 1 1 64 64 ILE HG21 H 1 0.658 0.004 . 1 . . . A 418 ILE HG21 . 25499 1 668 . 1 1 64 64 ILE HG22 H 1 0.658 0.004 . 1 . . . A 418 ILE HG22 . 25499 1 669 . 1 1 64 64 ILE HG23 H 1 0.658 0.004 . 1 . . . A 418 ILE HG23 . 25499 1 670 . 1 1 64 64 ILE HD11 H 1 1.188 0.002 . 1 . . . A 418 ILE HD11 . 25499 1 671 . 1 1 64 64 ILE HD12 H 1 1.188 0.002 . 1 . . . A 418 ILE HD12 . 25499 1 672 . 1 1 64 64 ILE HD13 H 1 1.188 0.002 . 1 . . . A 418 ILE HD13 . 25499 1 673 . 1 1 64 64 ILE CA C 13 59.271 0.000 . 1 . . . A 418 ILE CA . 25499 1 674 . 1 1 64 64 ILE CB C 13 40.316 0.000 . 1 . . . A 418 ILE CB . 25499 1 675 . 1 1 64 64 ILE CG1 C 13 28.703 0.064 . 1 . . . A 418 ILE CG1 . 25499 1 676 . 1 1 64 64 ILE CG2 C 13 17.405 0.000 . 1 . . . A 418 ILE CG2 . 25499 1 677 . 1 1 64 64 ILE CD1 C 13 14.568 0.000 . 1 . . . A 418 ILE CD1 . 25499 1 678 . 1 1 64 64 ILE N N 15 119.665 0.000 . 1 . . . A 418 ILE N . 25499 1 679 . 1 1 65 65 ALA H H 1 9.351 0.004 . 1 . . . A 419 ALA H . 25499 1 680 . 1 1 65 65 ALA HA H 1 5.195 0.004 . 1 . . . A 419 ALA HA . 25499 1 681 . 1 1 65 65 ALA HB1 H 1 1.185 0.002 . 1 . . . A 419 ALA HB1 . 25499 1 682 . 1 1 65 65 ALA HB2 H 1 1.185 0.002 . 1 . . . A 419 ALA HB2 . 25499 1 683 . 1 1 65 65 ALA HB3 H 1 1.185 0.002 . 1 . . . A 419 ALA HB3 . 25499 1 684 . 1 1 65 65 ALA CA C 13 50.233 0.000 . 1 . . . A 419 ALA CA . 25499 1 685 . 1 1 65 65 ALA CB C 13 25.826 0.000 . 1 . . . A 419 ALA CB . 25499 1 686 . 1 1 65 65 ALA N N 15 126.865 0.000 . 1 . . . A 419 ALA N . 25499 1 687 . 1 1 66 66 VAL H H 1 8.341 0.003 . 1 . . . A 420 VAL H . 25499 1 688 . 1 1 66 66 VAL HA H 1 4.964 0.006 . 1 . . . A 420 VAL HA . 25499 1 689 . 1 1 66 66 VAL HB H 1 1.786 0.006 . 1 . . . A 420 VAL HB . 25499 1 690 . 1 1 66 66 VAL HG11 H 1 0.946 0.002 . 2 . . . A 420 VAL HG11 . 25499 1 691 . 1 1 66 66 VAL HG12 H 1 0.946 0.002 . 2 . . . A 420 VAL HG12 . 25499 1 692 . 1 1 66 66 VAL HG13 H 1 0.946 0.002 . 2 . . . A 420 VAL HG13 . 25499 1 693 . 1 1 66 66 VAL HG21 H 1 0.810 0.002 . 2 . . . A 420 VAL HG21 . 25499 1 694 . 1 1 66 66 VAL HG22 H 1 0.810 0.002 . 2 . . . A 420 VAL HG22 . 25499 1 695 . 1 1 66 66 VAL HG23 H 1 0.810 0.002 . 2 . . . A 420 VAL HG23 . 25499 1 696 . 1 1 66 66 VAL CA C 13 60.912 0.000 . 1 . . . A 420 VAL CA . 25499 1 697 . 1 1 66 66 VAL CB C 13 34.342 0.000 . 1 . . . A 420 VAL CB . 25499 1 698 . 1 1 66 66 VAL CG1 C 13 21.573 0.000 . 2 . . . A 420 VAL CG1 . 25499 1 699 . 1 1 66 66 VAL CG2 C 13 22.051 0.000 . 2 . . . A 420 VAL CG2 . 25499 1 700 . 1 1 66 66 VAL N N 15 117.478 0.000 . 1 . . . A 420 VAL N . 25499 1 701 . 1 1 67 67 VAL H H 1 8.965 0.003 . 1 . . . A 421 VAL H . 25499 1 702 . 1 1 67 67 VAL HA H 1 4.453 0.004 . 1 . . . A 421 VAL HA . 25499 1 703 . 1 1 67 67 VAL HB H 1 1.481 0.002 . 1 . . . A 421 VAL HB . 25499 1 704 . 1 1 67 67 VAL HG11 H 1 0.267 0.003 . 2 . . . A 421 VAL HG11 . 25499 1 705 . 1 1 67 67 VAL HG12 H 1 0.267 0.003 . 2 . . . A 421 VAL HG12 . 25499 1 706 . 1 1 67 67 VAL HG13 H 1 0.267 0.003 . 2 . . . A 421 VAL HG13 . 25499 1 707 . 1 1 67 67 VAL HG21 H 1 -0.161 0.001 . 2 . . . A 421 VAL HG21 . 25499 1 708 . 1 1 67 67 VAL HG22 H 1 -0.161 0.001 . 2 . . . A 421 VAL HG22 . 25499 1 709 . 1 1 67 67 VAL HG23 H 1 -0.161 0.001 . 2 . . . A 421 VAL HG23 . 25499 1 710 . 1 1 67 67 VAL CA C 13 61.204 0.000 . 1 . . . A 421 VAL CA . 25499 1 711 . 1 1 67 67 VAL CB C 13 35.675 0.000 . 1 . . . A 421 VAL CB . 25499 1 712 . 1 1 67 67 VAL CG1 C 13 20.776 0.000 . 2 . . . A 421 VAL CG1 . 25499 1 713 . 1 1 67 67 VAL CG2 C 13 18.740 0.000 . 2 . . . A 421 VAL CG2 . 25499 1 714 . 1 1 67 67 VAL N N 15 126.379 0.000 . 1 . . . A 421 VAL N . 25499 1 715 . 1 1 68 68 GLU H H 1 9.421 0.002 . 1 . . . A 422 GLU H . 25499 1 716 . 1 1 68 68 GLU HA H 1 5.155 0.006 . 1 . . . A 422 GLU HA . 25499 1 717 . 1 1 68 68 GLU HB2 H 1 2.482 0.003 . 2 . . . A 422 GLU HB2 . 25499 1 718 . 1 1 68 68 GLU HB3 H 1 2.194 0.004 . 2 . . . A 422 GLU HB3 . 25499 1 719 . 1 1 68 68 GLU HG2 H 1 2.354 0.003 . 2 . . . A 422 GLU HG2 . 25499 1 720 . 1 1 68 68 GLU HG3 H 1 2.244 0.008 . 2 . . . A 422 GLU HG3 . 25499 1 721 . 1 1 68 68 GLU CA C 13 54.843 0.000 . 1 . . . A 422 GLU CA . 25499 1 722 . 1 1 68 68 GLU CB C 13 33.800 0.007 . 1 . . . A 422 GLU CB . 25499 1 723 . 1 1 68 68 GLU CG C 13 37.283 0.003 . 1 . . . A 422 GLU CG . 25499 1 724 . 1 1 68 68 GLU N N 15 127.424 0.000 . 1 . . . A 422 GLU N . 25499 1 725 . 1 1 69 69 TYR H H 1 8.849 0.002 . 1 . . . A 423 TYR H . 25499 1 726 . 1 1 69 69 TYR HA H 1 4.901 0.008 . 1 . . . A 423 TYR HA . 25499 1 727 . 1 1 69 69 TYR HB2 H 1 3.724 0.001 . 2 . . . A 423 TYR HB2 . 25499 1 728 . 1 1 69 69 TYR HB3 H 1 3.086 0.002 . 2 . . . A 423 TYR HB3 . 25499 1 729 . 1 1 69 69 TYR HD1 H 1 7.314 0.003 . 3 . . . A 423 TYR HD1 . 25499 1 730 . 1 1 69 69 TYR HD2 H 1 7.314 0.003 . 3 . . . A 423 TYR HD2 . 25499 1 731 . 1 1 69 69 TYR HE1 H 1 7.034 0.007 . 3 . . . A 423 TYR HE1 . 25499 1 732 . 1 1 69 69 TYR HE2 H 1 7.034 0.007 . 3 . . . A 423 TYR HE2 . 25499 1 733 . 1 1 69 69 TYR CA C 13 61.370 0.000 . 1 . . . A 423 TYR CA . 25499 1 734 . 1 1 69 69 TYR CB C 13 39.371 0.002 . 1 . . . A 423 TYR CB . 25499 1 735 . 1 1 69 69 TYR N N 15 128.132 0.000 . 1 . . . A 423 TYR N . 25499 1 736 . 1 1 70 70 ASP H H 1 8.220 0.002 . 1 . . . A 424 ASP H . 25499 1 737 . 1 1 70 70 ASP HA H 1 4.773 0.003 . 1 . . . A 424 ASP HA . 25499 1 738 . 1 1 70 70 ASP HB2 H 1 2.929 0.003 . 2 . . . A 424 ASP HB2 . 25499 1 739 . 1 1 70 70 ASP HB3 H 1 2.888 0.002 . 2 . . . A 424 ASP HB3 . 25499 1 740 . 1 1 70 70 ASP CA C 13 57.439 0.000 . 1 . . . A 424 ASP CA . 25499 1 741 . 1 1 70 70 ASP CB C 13 42.747 0.002 . 1 . . . A 424 ASP CB . 25499 1 742 . 1 1 70 70 ASP N N 15 119.634 0.000 . 1 . . . A 424 ASP N . 25499 1 743 . 1 1 71 71 ASN H H 1 9.411 0.002 . 1 . . . A 425 ASN H . 25499 1 744 . 1 1 71 71 ASN HA H 1 5.258 0.003 . 1 . . . A 425 ASN HA . 25499 1 745 . 1 1 71 71 ASN HB2 H 1 3.193 0.004 . 2 . . . A 425 ASN HB2 . 25499 1 746 . 1 1 71 71 ASN HB3 H 1 3.032 0.004 . 2 . . . A 425 ASN HB3 . 25499 1 747 . 1 1 71 71 ASN HD21 H 1 7.249 0.002 . 1 . . . A 425 ASN HD21 . 25499 1 748 . 1 1 71 71 ASN HD22 H 1 7.973 0.002 . 1 . . . A 425 ASN HD22 . 25499 1 749 . 1 1 71 71 ASN CA C 13 51.376 0.000 . 1 . . . A 425 ASN CA . 25499 1 750 . 1 1 71 71 ASN CB C 13 41.034 0.005 . 1 . . . A 425 ASN CB . 25499 1 751 . 1 1 71 71 ASN N N 15 115.552 0.000 . 1 . . . A 425 ASN N . 25499 1 752 . 1 1 71 71 ASN ND2 N 15 113.389 0.002 . 1 . . . A 425 ASN ND2 . 25499 1 753 . 1 1 72 72 VAL H H 1 9.154 0.002 . 1 . . . A 426 VAL H . 25499 1 754 . 1 1 72 72 VAL HA H 1 3.917 0.005 . 1 . . . A 426 VAL HA . 25499 1 755 . 1 1 72 72 VAL HB H 1 2.240 0.002 . 1 . . . A 426 VAL HB . 25499 1 756 . 1 1 72 72 VAL HG11 H 1 1.201 0.003 . 2 . . . A 426 VAL HG11 . 25499 1 757 . 1 1 72 72 VAL HG12 H 1 1.201 0.003 . 2 . . . A 426 VAL HG12 . 25499 1 758 . 1 1 72 72 VAL HG13 H 1 1.201 0.003 . 2 . . . A 426 VAL HG13 . 25499 1 759 . 1 1 72 72 VAL HG21 H 1 1.052 0.003 . 2 . . . A 426 VAL HG21 . 25499 1 760 . 1 1 72 72 VAL HG22 H 1 1.052 0.003 . 2 . . . A 426 VAL HG22 . 25499 1 761 . 1 1 72 72 VAL HG23 H 1 1.052 0.003 . 2 . . . A 426 VAL HG23 . 25499 1 762 . 1 1 72 72 VAL CA C 13 65.190 0.000 . 1 . . . A 426 VAL CA . 25499 1 763 . 1 1 72 72 VAL CB C 13 31.822 0.000 . 1 . . . A 426 VAL CB . 25499 1 764 . 1 1 72 72 VAL CG1 C 13 19.325 0.000 . 2 . . . A 426 VAL CG1 . 25499 1 765 . 1 1 72 72 VAL CG2 C 13 21.687 0.000 . 2 . . . A 426 VAL CG2 . 25499 1 766 . 1 1 72 72 VAL N N 15 126.520 0.000 . 1 . . . A 426 VAL N . 25499 1 767 . 1 1 73 73 ASP H H 1 8.305 0.002 . 1 . . . A 427 ASP H . 25499 1 768 . 1 1 73 73 ASP HA H 1 4.578 0.003 . 1 . . . A 427 ASP HA . 25499 1 769 . 1 1 73 73 ASP HB2 H 1 2.894 0.002 . 2 . . . A 427 ASP HB2 . 25499 1 770 . 1 1 73 73 ASP HB3 H 1 2.622 0.002 . 2 . . . A 427 ASP HB3 . 25499 1 771 . 1 1 73 73 ASP CA C 13 57.344 0.000 . 1 . . . A 427 ASP CA . 25499 1 772 . 1 1 73 73 ASP CB C 13 40.033 0.003 . 1 . . . A 427 ASP CB . 25499 1 773 . 1 1 73 73 ASP N N 15 120.717 0.000 . 1 . . . A 427 ASP N . 25499 1 774 . 1 1 74 74 ASP H H 1 7.600 0.002 . 1 . . . A 428 ASP H . 25499 1 775 . 1 1 74 74 ASP HA H 1 4.462 0.003 . 1 . . . A 428 ASP HA . 25499 1 776 . 1 1 74 74 ASP HB2 H 1 2.931 0.003 . 2 . . . A 428 ASP HB2 . 25499 1 777 . 1 1 74 74 ASP HB3 H 1 2.099 0.004 . 2 . . . A 428 ASP HB3 . 25499 1 778 . 1 1 74 74 ASP CA C 13 56.490 0.000 . 1 . . . A 428 ASP CA . 25499 1 779 . 1 1 74 74 ASP CB C 13 40.053 0.007 . 1 . . . A 428 ASP CB . 25499 1 780 . 1 1 74 74 ASP N N 15 117.482 0.000 . 1 . . . A 428 ASP N . 25499 1 781 . 1 1 75 75 ALA H H 1 7.153 0.002 . 1 . . . A 429 ALA H . 25499 1 782 . 1 1 75 75 ALA HA H 1 3.854 0.001 . 1 . . . A 429 ALA HA . 25499 1 783 . 1 1 75 75 ALA HB1 H 1 2.039 0.002 . 1 . . . A 429 ALA HB1 . 25499 1 784 . 1 1 75 75 ALA HB2 H 1 2.039 0.002 . 1 . . . A 429 ALA HB2 . 25499 1 785 . 1 1 75 75 ALA HB3 H 1 2.039 0.002 . 1 . . . A 429 ALA HB3 . 25499 1 786 . 1 1 75 75 ALA CA C 13 55.884 0.000 . 1 . . . A 429 ALA CA . 25499 1 787 . 1 1 75 75 ALA CB C 13 18.426 0.000 . 1 . . . A 429 ALA CB . 25499 1 788 . 1 1 75 75 ALA N N 15 123.645 0.000 . 1 . . . A 429 ALA N . 25499 1 789 . 1 1 76 76 ASP H H 1 8.029 0.002 . 1 . . . A 430 ASP H . 25499 1 790 . 1 1 76 76 ASP HA H 1 4.478 0.007 . 1 . . . A 430 ASP HA . 25499 1 791 . 1 1 76 76 ASP HB2 H 1 3.362 0.002 . 2 . . . A 430 ASP HB2 . 25499 1 792 . 1 1 76 76 ASP HB3 H 1 3.021 0.004 . 2 . . . A 430 ASP HB3 . 25499 1 793 . 1 1 76 76 ASP CA C 13 57.568 0.000 . 1 . . . A 430 ASP CA . 25499 1 794 . 1 1 76 76 ASP CB C 13 40.307 0.002 . 1 . . . A 430 ASP CB . 25499 1 795 . 1 1 76 76 ASP N N 15 115.821 0.000 . 1 . . . A 430 ASP N . 25499 1 796 . 1 1 77 77 VAL H H 1 7.509 0.006 . 1 . . . A 431 VAL H . 25499 1 797 . 1 1 77 77 VAL HA H 1 3.861 0.002 . 1 . . . A 431 VAL HA . 25499 1 798 . 1 1 77 77 VAL HB H 1 2.222 0.004 . 1 . . . A 431 VAL HB . 25499 1 799 . 1 1 77 77 VAL HG11 H 1 1.340 0.002 . 2 . . . A 431 VAL HG11 . 25499 1 800 . 1 1 77 77 VAL HG12 H 1 1.340 0.002 . 2 . . . A 431 VAL HG12 . 25499 1 801 . 1 1 77 77 VAL HG13 H 1 1.340 0.002 . 2 . . . A 431 VAL HG13 . 25499 1 802 . 1 1 77 77 VAL HG21 H 1 1.176 0.002 . 2 . . . A 431 VAL HG21 . 25499 1 803 . 1 1 77 77 VAL HG22 H 1 1.176 0.002 . 2 . . . A 431 VAL HG22 . 25499 1 804 . 1 1 77 77 VAL HG23 H 1 1.176 0.002 . 2 . . . A 431 VAL HG23 . 25499 1 805 . 1 1 77 77 VAL CA C 13 65.987 0.000 . 1 . . . A 431 VAL CA . 25499 1 806 . 1 1 77 77 VAL CB C 13 31.505 0.000 . 1 . . . A 431 VAL CB . 25499 1 807 . 1 1 77 77 VAL CG1 C 13 23.075 0.000 . 2 . . . A 431 VAL CG1 . 25499 1 808 . 1 1 77 77 VAL CG2 C 13 22.376 0.000 . 2 . . . A 431 VAL CG2 . 25499 1 809 . 1 1 77 77 VAL N N 15 120.911 0.000 . 1 . . . A 431 VAL N . 25499 1 810 . 1 1 78 78 CYS H H 1 8.601 0.003 . 1 . . . A 432 CYS H . 25499 1 811 . 1 1 78 78 CYS HA H 1 3.953 0.004 . 1 . . . A 432 CYS HA . 25499 1 812 . 1 1 78 78 CYS HB2 H 1 3.625 0.004 . 2 . . . A 432 CYS HB2 . 25499 1 813 . 1 1 78 78 CYS HB3 H 1 3.132 0.003 . 2 . . . A 432 CYS HB3 . 25499 1 814 . 1 1 78 78 CYS HG H 1 2.089 0.003 . 1 . . . A 432 CYS HG . 25499 1 815 . 1 1 78 78 CYS CA C 13 63.307 0.000 . 1 . . . A 432 CYS CA . 25499 1 816 . 1 1 78 78 CYS CB C 13 26.151 0.005 . 1 . . . A 432 CYS CB . 25499 1 817 . 1 1 78 78 CYS N N 15 121.808 0.000 . 1 . . . A 432 CYS N . 25499 1 818 . 1 1 79 79 ILE H H 1 7.724 0.002 . 1 . . . A 433 ILE H . 25499 1 819 . 1 1 79 79 ILE HA H 1 3.576 0.003 . 1 . . . A 433 ILE HA . 25499 1 820 . 1 1 79 79 ILE HB H 1 1.965 0.005 . 1 . . . A 433 ILE HB . 25499 1 821 . 1 1 79 79 ILE HG12 H 1 1.567 0.002 . 2 . . . A 433 ILE HG12 . 25499 1 822 . 1 1 79 79 ILE HG13 H 1 0.879 0.004 . 2 . . . A 433 ILE HG13 . 25499 1 823 . 1 1 79 79 ILE HG21 H 1 1.026 0.002 . 1 . . . A 433 ILE HG21 . 25499 1 824 . 1 1 79 79 ILE HG22 H 1 1.026 0.002 . 1 . . . A 433 ILE HG22 . 25499 1 825 . 1 1 79 79 ILE HG23 H 1 1.026 0.002 . 1 . . . A 433 ILE HG23 . 25499 1 826 . 1 1 79 79 ILE HD11 H 1 0.234 0.001 . 1 . . . A 433 ILE HD11 . 25499 1 827 . 1 1 79 79 ILE HD12 H 1 0.234 0.001 . 1 . . . A 433 ILE HD12 . 25499 1 828 . 1 1 79 79 ILE HD13 H 1 0.234 0.001 . 1 . . . A 433 ILE HD13 . 25499 1 829 . 1 1 79 79 ILE CA C 13 65.891 0.000 . 1 . . . A 433 ILE CA . 25499 1 830 . 1 1 79 79 ILE CB C 13 38.339 0.000 . 1 . . . A 433 ILE CB . 25499 1 831 . 1 1 79 79 ILE CG1 C 13 29.868 0.002 . 1 . . . A 433 ILE CG1 . 25499 1 832 . 1 1 79 79 ILE CG2 C 13 17.753 0.000 . 1 . . . A 433 ILE CG2 . 25499 1 833 . 1 1 79 79 ILE CD1 C 13 12.750 0.000 . 1 . . . A 433 ILE CD1 . 25499 1 834 . 1 1 79 79 ILE N N 15 117.428 0.000 . 1 . . . A 433 ILE N . 25499 1 835 . 1 1 80 80 GLU H H 1 7.663 0.002 . 1 . . . A 434 GLU H . 25499 1 836 . 1 1 80 80 GLU HA H 1 4.196 0.002 . 1 . . . A 434 GLU HA . 25499 1 837 . 1 1 80 80 GLU HB2 H 1 2.395 0.003 . 2 . . . A 434 GLU HB2 . 25499 1 838 . 1 1 80 80 GLU HG2 H 1 2.608 0.003 . 2 . . . A 434 GLU HG2 . 25499 1 839 . 1 1 80 80 GLU HG3 H 1 2.410 0.001 . 2 . . . A 434 GLU HG3 . 25499 1 840 . 1 1 80 80 GLU CA C 13 59.655 0.000 . 1 . . . A 434 GLU CA . 25499 1 841 . 1 1 80 80 GLU CB C 13 30.386 0.000 . 1 . . . A 434 GLU CB . 25499 1 842 . 1 1 80 80 GLU CG C 13 36.091 0.004 . 1 . . . A 434 GLU CG . 25499 1 843 . 1 1 80 80 GLU N N 15 117.961 0.000 . 1 . . . A 434 GLU N . 25499 1 844 . 1 1 81 81 ARG H H 1 9.001 0.002 . 1 . . . A 435 ARG H . 25499 1 845 . 1 1 81 81 ARG HA H 1 4.510 0.004 . 1 . . . A 435 ARG HA . 25499 1 846 . 1 1 81 81 ARG HB2 H 1 1.903 0.003 . 2 . . . A 435 ARG HB2 . 25499 1 847 . 1 1 81 81 ARG HG2 H 1 1.971 0.003 . 2 . . . A 435 ARG HG2 . 25499 1 848 . 1 1 81 81 ARG HG3 H 1 1.838 0.003 . 2 . . . A 435 ARG HG3 . 25499 1 849 . 1 1 81 81 ARG HD2 H 1 3.296 0.004 . 2 . . . A 435 ARG HD2 . 25499 1 850 . 1 1 81 81 ARG HD3 H 1 3.180 0.003 . 2 . . . A 435 ARG HD3 . 25499 1 851 . 1 1 81 81 ARG HE H 1 7.469 0.003 . 1 . . . A 435 ARG HE . 25499 1 852 . 1 1 81 81 ARG CA C 13 58.258 0.000 . 1 . . . A 435 ARG CA . 25499 1 853 . 1 1 81 81 ARG CB C 13 31.932 0.000 . 1 . . . A 435 ARG CB . 25499 1 854 . 1 1 81 81 ARG CG C 13 27.732 0.005 . 1 . . . A 435 ARG CG . 25499 1 855 . 1 1 81 81 ARG CD C 13 43.359 0.003 . 1 . . . A 435 ARG CD . 25499 1 856 . 1 1 81 81 ARG N N 15 114.681 0.000 . 1 . . . A 435 ARG N . 25499 1 857 . 1 1 81 81 ARG NE N 15 84.292 0.000 . 1 . . . A 435 ARG NE . 25499 1 858 . 1 1 82 82 LEU H H 1 9.081 0.003 . 1 . . . A 436 LEU H . 25499 1 859 . 1 1 82 82 LEU HA H 1 4.808 0.006 . 1 . . . A 436 LEU HA . 25499 1 860 . 1 1 82 82 LEU HB2 H 1 2.264 0.002 . 2 . . . A 436 LEU HB2 . 25499 1 861 . 1 1 82 82 LEU HB3 H 1 1.380 0.006 . 2 . . . A 436 LEU HB3 . 25499 1 862 . 1 1 82 82 LEU HG H 1 1.478 0.002 . 1 . . . A 436 LEU HG . 25499 1 863 . 1 1 82 82 LEU HD11 H 1 0.510 0.003 . 2 . . . A 436 LEU HD11 . 25499 1 864 . 1 1 82 82 LEU HD12 H 1 0.510 0.003 . 2 . . . A 436 LEU HD12 . 25499 1 865 . 1 1 82 82 LEU HD13 H 1 0.510 0.003 . 2 . . . A 436 LEU HD13 . 25499 1 866 . 1 1 82 82 LEU HD21 H 1 0.292 0.003 . 2 . . . A 436 LEU HD21 . 25499 1 867 . 1 1 82 82 LEU HD22 H 1 0.292 0.003 . 2 . . . A 436 LEU HD22 . 25499 1 868 . 1 1 82 82 LEU HD23 H 1 0.292 0.003 . 2 . . . A 436 LEU HD23 . 25499 1 869 . 1 1 82 82 LEU CA C 13 54.863 0.000 . 1 . . . A 436 LEU CA . 25499 1 870 . 1 1 82 82 LEU CB C 13 43.002 0.003 . 1 . . . A 436 LEU CB . 25499 1 871 . 1 1 82 82 LEU CG C 13 27.272 0.000 . 1 . . . A 436 LEU CG . 25499 1 872 . 1 1 82 82 LEU CD1 C 13 25.874 0.000 . 2 . . . A 436 LEU CD1 . 25499 1 873 . 1 1 82 82 LEU CD2 C 13 22.399 0.000 . 2 . . . A 436 LEU CD2 . 25499 1 874 . 1 1 82 82 LEU N N 15 115.828 0.000 . 1 . . . A 436 LEU N . 25499 1 875 . 1 1 83 83 ASN H H 1 7.877 0.003 . 1 . . . A 437 ASN H . 25499 1 876 . 1 1 83 83 ASN HA H 1 4.795 0.003 . 1 . . . A 437 ASN HA . 25499 1 877 . 1 1 83 83 ASN HB2 H 1 3.235 0.004 . 2 . . . A 437 ASN HB2 . 25499 1 878 . 1 1 83 83 ASN HB3 H 1 3.202 0.002 . 2 . . . A 437 ASN HB3 . 25499 1 879 . 1 1 83 83 ASN HD21 H 1 7.086 0.002 . 1 . . . A 437 ASN HD21 . 25499 1 880 . 1 1 83 83 ASN HD22 H 1 7.874 0.002 . 1 . . . A 437 ASN HD22 . 25499 1 881 . 1 1 83 83 ASN CA C 13 56.019 0.000 . 1 . . . A 437 ASN CA . 25499 1 882 . 1 1 83 83 ASN CB C 13 38.676 0.011 . 1 . . . A 437 ASN CB . 25499 1 883 . 1 1 83 83 ASN N N 15 117.474 0.000 . 1 . . . A 437 ASN N . 25499 1 884 . 1 1 83 83 ASN ND2 N 15 112.382 0.011 . 1 . . . A 437 ASN ND2 . 25499 1 885 . 1 1 84 84 ASN H H 1 9.348 0.001 . 1 . . . A 438 ASN H . 25499 1 886 . 1 1 84 84 ASN HA H 1 4.594 0.002 . 1 . . . A 438 ASN HA . 25499 1 887 . 1 1 84 84 ASN HB2 H 1 3.339 0.004 . 2 . . . A 438 ASN HB2 . 25499 1 888 . 1 1 84 84 ASN HB3 H 1 3.174 0.005 . 2 . . . A 438 ASN HB3 . 25499 1 889 . 1 1 84 84 ASN HD21 H 1 7.021 0.002 . 1 . . . A 438 ASN HD21 . 25499 1 890 . 1 1 84 84 ASN HD22 H 1 7.826 0.001 . 1 . . . A 438 ASN HD22 . 25499 1 891 . 1 1 84 84 ASN CA C 13 55.766 0.000 . 1 . . . A 438 ASN CA . 25499 1 892 . 1 1 84 84 ASN CB C 13 38.424 0.002 . 1 . . . A 438 ASN CB . 25499 1 893 . 1 1 84 84 ASN N N 15 122.633 0.000 . 1 . . . A 438 ASN N . 25499 1 894 . 1 1 84 84 ASN ND2 N 15 112.753 0.001 . 1 . . . A 438 ASN ND2 . 25499 1 895 . 1 1 85 85 TYR H H 1 8.130 0.003 . 1 . . . A 439 TYR H . 25499 1 896 . 1 1 85 85 TYR HA H 1 4.598 0.003 . 1 . . . A 439 TYR HA . 25499 1 897 . 1 1 85 85 TYR HB2 H 1 3.361 0.002 . 2 . . . A 439 TYR HB2 . 25499 1 898 . 1 1 85 85 TYR HB3 H 1 3.283 0.002 . 2 . . . A 439 TYR HB3 . 25499 1 899 . 1 1 85 85 TYR HD1 H 1 7.223 0.002 . 3 . . . A 439 TYR HD1 . 25499 1 900 . 1 1 85 85 TYR HD2 H 1 7.223 0.002 . 3 . . . A 439 TYR HD2 . 25499 1 901 . 1 1 85 85 TYR HE1 H 1 7.034 0.001 . 3 . . . A 439 TYR HE1 . 25499 1 902 . 1 1 85 85 TYR HE2 H 1 7.034 0.001 . 3 . . . A 439 TYR HE2 . 25499 1 903 . 1 1 85 85 TYR CA C 13 58.010 0.000 . 1 . . . A 439 TYR CA . 25499 1 904 . 1 1 85 85 TYR CB C 13 40.883 0.008 . 1 . . . A 439 TYR CB . 25499 1 905 . 1 1 85 85 TYR N N 15 121.536 0.000 . 1 . . . A 439 TYR N . 25499 1 906 . 1 1 86 86 ASN H H 1 8.066 0.003 . 1 . . . A 440 ASN H . 25499 1 907 . 1 1 86 86 ASN HA H 1 5.138 0.005 . 1 . . . A 440 ASN HA . 25499 1 908 . 1 1 86 86 ASN HB2 H 1 2.746 0.003 . 2 . . . A 440 ASN HB2 . 25499 1 909 . 1 1 86 86 ASN HB3 H 1 2.706 0.006 . 2 . . . A 440 ASN HB3 . 25499 1 910 . 1 1 86 86 ASN HD21 H 1 6.129 0.004 . 1 . . . A 440 ASN HD21 . 25499 1 911 . 1 1 86 86 ASN HD22 H 1 7.969 0.001 . 1 . . . A 440 ASN HD22 . 25499 1 912 . 1 1 86 86 ASN CA C 13 53.649 0.000 . 1 . . . A 440 ASN CA . 25499 1 913 . 1 1 86 86 ASN CB C 13 39.446 0.000 . 1 . . . A 440 ASN CB . 25499 1 914 . 1 1 86 86 ASN N N 15 126.630 0.000 . 1 . . . A 440 ASN N . 25499 1 915 . 1 1 86 86 ASN ND2 N 15 110.931 0.006 . 1 . . . A 440 ASN ND2 . 25499 1 916 . 1 1 87 87 TYR H H 1 9.249 0.002 . 1 . . . A 441 TYR H . 25499 1 917 . 1 1 87 87 TYR HA H 1 4.944 0.006 . 1 . . . A 441 TYR HA . 25499 1 918 . 1 1 87 87 TYR HB2 H 1 3.178 0.002 . 2 . . . A 441 TYR HB2 . 25499 1 919 . 1 1 87 87 TYR HB3 H 1 3.081 0.002 . 2 . . . A 441 TYR HB3 . 25499 1 920 . 1 1 87 87 TYR HD1 H 1 7.292 0.004 . 3 . . . A 441 TYR HD1 . 25499 1 921 . 1 1 87 87 TYR HD2 H 1 7.292 0.004 . 3 . . . A 441 TYR HD2 . 25499 1 922 . 1 1 87 87 TYR HE1 H 1 7.043 0.004 . 3 . . . A 441 TYR HE1 . 25499 1 923 . 1 1 87 87 TYR HE2 H 1 7.043 0.004 . 3 . . . A 441 TYR HE2 . 25499 1 924 . 1 1 87 87 TYR CA C 13 55.910 0.000 . 1 . . . A 441 TYR CA . 25499 1 925 . 1 1 87 87 TYR CB C 13 41.290 0.003 . 1 . . . A 441 TYR CB . 25499 1 926 . 1 1 87 87 TYR N N 15 129.758 0.000 . 1 . . . A 441 TYR N . 25499 1 927 . 1 1 88 88 GLY H H 1 8.736 0.003 . 1 . . . A 442 GLY H . 25499 1 928 . 1 1 88 88 GLY HA2 H 1 3.770 0.003 . 2 . . . A 442 GLY HA2 . 25499 1 929 . 1 1 88 88 GLY HA3 H 1 3.664 0.004 . 2 . . . A 442 GLY HA3 . 25499 1 930 . 1 1 88 88 GLY CA C 13 46.869 0.002 . 1 . . . A 442 GLY CA . 25499 1 931 . 1 1 88 88 GLY N N 15 114.955 0.000 . 1 . . . A 442 GLY N . 25499 1 932 . 1 1 89 89 GLY H H 1 7.790 0.001 . 1 . . . A 443 GLY H . 25499 1 933 . 1 1 89 89 GLY HA2 H 1 4.498 0.007 . 2 . . . A 443 GLY HA2 . 25499 1 934 . 1 1 89 89 GLY HA3 H 1 3.914 0.003 . 2 . . . A 443 GLY HA3 . 25499 1 935 . 1 1 89 89 GLY CA C 13 45.179 0.001 . 1 . . . A 443 GLY CA . 25499 1 936 . 1 1 89 89 GLY N N 15 103.860 0.000 . 1 . . . A 443 GLY N . 25499 1 937 . 1 1 90 90 CYS H H 1 7.768 0.003 . 1 . . . A 444 CYS H . 25499 1 938 . 1 1 90 90 CYS HA H 1 4.711 0.004 . 1 . . . A 444 CYS HA . 25499 1 939 . 1 1 90 90 CYS HB2 H 1 3.639 0.002 . 2 . . . A 444 CYS HB2 . 25499 1 940 . 1 1 90 90 CYS HB3 H 1 3.206 0.003 . 2 . . . A 444 CYS HB3 . 25499 1 941 . 1 1 90 90 CYS CA C 13 58.227 0.000 . 1 . . . A 444 CYS CA . 25499 1 942 . 1 1 90 90 CYS CB C 13 31.053 0.009 . 1 . . . A 444 CYS CB . 25499 1 943 . 1 1 90 90 CYS N N 15 120.702 0.000 . 1 . . . A 444 CYS N . 25499 1 944 . 1 1 91 91 ASP H H 1 8.674 0.002 . 1 . . . A 445 ASP H . 25499 1 945 . 1 1 91 91 ASP HA H 1 5.079 0.008 . 1 . . . A 445 ASP HA . 25499 1 946 . 1 1 91 91 ASP HB2 H 1 2.770 0.004 . 2 . . . A 445 ASP HB2 . 25499 1 947 . 1 1 91 91 ASP HB3 H 1 2.617 0.003 . 2 . . . A 445 ASP HB3 . 25499 1 948 . 1 1 91 91 ASP CA C 13 53.795 0.000 . 1 . . . A 445 ASP CA . 25499 1 949 . 1 1 91 91 ASP CB C 13 40.366 0.015 . 1 . . . A 445 ASP CB . 25499 1 950 . 1 1 91 91 ASP N N 15 122.912 0.000 . 1 . . . A 445 ASP N . 25499 1 951 . 1 1 92 92 LEU H H 1 9.273 0.004 . 1 . . . A 446 LEU H . 25499 1 952 . 1 1 92 92 LEU HA H 1 4.580 0.003 . 1 . . . A 446 LEU HA . 25499 1 953 . 1 1 92 92 LEU HB2 H 1 2.626 0.004 . 2 . . . A 446 LEU HB2 . 25499 1 954 . 1 1 92 92 LEU HB3 H 1 1.581 0.004 . 2 . . . A 446 LEU HB3 . 25499 1 955 . 1 1 92 92 LEU HG H 1 2.590 0.003 . 1 . . . A 446 LEU HG . 25499 1 956 . 1 1 92 92 LEU HD11 H 1 1.092 0.005 . 2 . . . A 446 LEU HD11 . 25499 1 957 . 1 1 92 92 LEU HD12 H 1 1.092 0.005 . 2 . . . A 446 LEU HD12 . 25499 1 958 . 1 1 92 92 LEU HD13 H 1 1.092 0.005 . 2 . . . A 446 LEU HD13 . 25499 1 959 . 1 1 92 92 LEU HD21 H 1 1.066 0.004 . 2 . . . A 446 LEU HD21 . 25499 1 960 . 1 1 92 92 LEU HD22 H 1 1.066 0.004 . 2 . . . A 446 LEU HD22 . 25499 1 961 . 1 1 92 92 LEU HD23 H 1 1.066 0.004 . 2 . . . A 446 LEU HD23 . 25499 1 962 . 1 1 92 92 LEU CA C 13 56.412 0.000 . 1 . . . A 446 LEU CA . 25499 1 963 . 1 1 92 92 LEU CB C 13 42.372 0.007 . 1 . . . A 446 LEU CB . 25499 1 964 . 1 1 92 92 LEU CG C 13 26.657 0.000 . 1 . . . A 446 LEU CG . 25499 1 965 . 1 1 92 92 LEU CD1 C 13 26.009 0.000 . 2 . . . A 446 LEU CD1 . 25499 1 966 . 1 1 92 92 LEU CD2 C 13 23.013 0.000 . 2 . . . A 446 LEU CD2 . 25499 1 967 . 1 1 92 92 LEU N N 15 127.057 0.000 . 1 . . . A 446 LEU N . 25499 1 968 . 1 1 93 93 ASP H H 1 8.425 0.002 . 1 . . . A 447 ASP H . 25499 1 969 . 1 1 93 93 ASP HA H 1 5.476 0.004 . 1 . . . A 447 ASP HA . 25499 1 970 . 1 1 93 93 ASP HB2 H 1 3.341 0.003 . 2 . . . A 447 ASP HB2 . 25499 1 971 . 1 1 93 93 ASP HB3 H 1 2.757 0.003 . 2 . . . A 447 ASP HB3 . 25499 1 972 . 1 1 93 93 ASP CA C 13 53.132 0.000 . 1 . . . A 447 ASP CA . 25499 1 973 . 1 1 93 93 ASP CB C 13 42.474 0.015 . 1 . . . A 447 ASP CB . 25499 1 974 . 1 1 93 93 ASP N N 15 122.705 0.000 . 1 . . . A 447 ASP N . 25499 1 975 . 1 1 94 94 ILE H H 1 8.872 0.002 . 1 . . . A 448 ILE H . 25499 1 976 . 1 1 94 94 ILE HA H 1 5.454 0.002 . 1 . . . A 448 ILE HA . 25499 1 977 . 1 1 94 94 ILE HB H 1 1.710 0.003 . 1 . . . A 448 ILE HB . 25499 1 978 . 1 1 94 94 ILE HG12 H 1 1.826 0.002 . 2 . . . A 448 ILE HG12 . 25499 1 979 . 1 1 94 94 ILE HG13 H 1 1.441 0.004 . 2 . . . A 448 ILE HG13 . 25499 1 980 . 1 1 94 94 ILE HG21 H 1 1.173 0.003 . 1 . . . A 448 ILE HG21 . 25499 1 981 . 1 1 94 94 ILE HG22 H 1 1.173 0.003 . 1 . . . A 448 ILE HG22 . 25499 1 982 . 1 1 94 94 ILE HG23 H 1 1.173 0.003 . 1 . . . A 448 ILE HG23 . 25499 1 983 . 1 1 94 94 ILE HD11 H 1 1.117 0.004 . 1 . . . A 448 ILE HD11 . 25499 1 984 . 1 1 94 94 ILE HD12 H 1 1.117 0.004 . 1 . . . A 448 ILE HD12 . 25499 1 985 . 1 1 94 94 ILE HD13 H 1 1.117 0.004 . 1 . . . A 448 ILE HD13 . 25499 1 986 . 1 1 94 94 ILE CA C 13 59.710 0.000 . 1 . . . A 448 ILE CA . 25499 1 987 . 1 1 94 94 ILE CB C 13 41.026 0.000 . 1 . . . A 448 ILE CB . 25499 1 988 . 1 1 94 94 ILE CG1 C 13 28.638 0.025 . 1 . . . A 448 ILE CG1 . 25499 1 989 . 1 1 94 94 ILE CG2 C 13 19.632 0.000 . 1 . . . A 448 ILE CG2 . 25499 1 990 . 1 1 94 94 ILE CD1 C 13 14.009 0.000 . 1 . . . A 448 ILE CD1 . 25499 1 991 . 1 1 94 94 ILE N N 15 126.467 0.000 . 1 . . . A 448 ILE N . 25499 1 992 . 1 1 95 95 SER H H 1 9.180 0.003 . 1 . . . A 449 SER H . 25499 1 993 . 1 1 95 95 SER HA H 1 4.684 0.003 . 1 . . . A 449 SER HA . 25499 1 994 . 1 1 95 95 SER HB2 H 1 4.495 0.004 . 2 . . . A 449 SER HB2 . 25499 1 995 . 1 1 95 95 SER HB3 H 1 4.273 0.005 . 2 . . . A 449 SER HB3 . 25499 1 996 . 1 1 95 95 SER HG H 1 6.257 0.001 . 1 . . . A 449 SER HG . 25499 1 997 . 1 1 95 95 SER CA C 13 57.284 0.000 . 1 . . . A 449 SER CA . 25499 1 998 . 1 1 95 95 SER CB C 13 65.778 0.003 . 1 . . . A 449 SER CB . 25499 1 999 . 1 1 95 95 SER N N 15 120.237 0.000 . 1 . . . A 449 SER N . 25499 1 1000 . 1 1 96 96 TYR H H 1 8.369 0.001 . 1 . . . A 450 TYR H . 25499 1 1001 . 1 1 96 96 TYR HA H 1 5.060 0.006 . 1 . . . A 450 TYR HA . 25499 1 1002 . 1 1 96 96 TYR HB2 H 1 3.127 0.003 . 2 . . . A 450 TYR HB2 . 25499 1 1003 . 1 1 96 96 TYR HB3 H 1 2.717 0.002 . 2 . . . A 450 TYR HB3 . 25499 1 1004 . 1 1 96 96 TYR HD1 H 1 7.900 0.003 . 3 . . . A 450 TYR HD1 . 25499 1 1005 . 1 1 96 96 TYR HD2 H 1 7.423 0.003 . 3 . . . A 450 TYR HD2 . 25499 1 1006 . 1 1 96 96 TYR HE1 H 1 7.026 0.004 . 3 . . . A 450 TYR HE1 . 25499 1 1007 . 1 1 96 96 TYR HE2 H 1 7.079 0.002 . 3 . . . A 450 TYR HE2 . 25499 1 1008 . 1 1 96 96 TYR CA C 13 59.237 0.000 . 1 . . . A 450 TYR CA . 25499 1 1009 . 1 1 96 96 TYR CB C 13 38.449 0.013 . 1 . . . A 450 TYR CB . 25499 1 1010 . 1 1 96 96 TYR N N 15 117.928 0.000 . 1 . . . A 450 TYR N . 25499 1 1011 . 1 1 97 97 ALA H H 1 9.552 0.003 . 1 . . . A 451 ALA H . 25499 1 1012 . 1 1 97 97 ALA HA H 1 4.974 0.005 . 1 . . . A 451 ALA HA . 25499 1 1013 . 1 1 97 97 ALA HB1 H 1 1.372 0.003 . 1 . . . A 451 ALA HB1 . 25499 1 1014 . 1 1 97 97 ALA HB2 H 1 1.372 0.003 . 1 . . . A 451 ALA HB2 . 25499 1 1015 . 1 1 97 97 ALA HB3 H 1 1.372 0.003 . 1 . . . A 451 ALA HB3 . 25499 1 1016 . 1 1 97 97 ALA CA C 13 51.045 0.000 . 1 . . . A 451 ALA CA . 25499 1 1017 . 1 1 97 97 ALA CB C 13 20.806 0.000 . 1 . . . A 451 ALA CB . 25499 1 1018 . 1 1 97 97 ALA N N 15 123.741 0.000 . 1 . . . A 451 ALA N . 25499 1 1019 . 1 1 98 98 LYS H H 1 9.301 0.003 . 1 . . . A 452 LYS H . 25499 1 1020 . 1 1 98 98 LYS HA H 1 4.679 0.003 . 1 . . . A 452 LYS HA . 25499 1 1021 . 1 1 98 98 LYS HB2 H 1 1.831 0.004 . 2 . . . A 452 LYS HB2 . 25499 1 1022 . 1 1 98 98 LYS HB3 H 1 1.500 0.002 . 2 . . . A 452 LYS HB3 . 25499 1 1023 . 1 1 98 98 LYS HG2 H 1 1.471 0.002 . 2 . . . A 452 LYS HG2 . 25499 1 1024 . 1 1 98 98 LYS HG3 H 1 1.222 0.001 . 2 . . . A 452 LYS HG3 . 25499 1 1025 . 1 1 98 98 LYS HD2 H 1 1.763 0.004 . 2 . . . A 452 LYS HD2 . 25499 1 1026 . 1 1 98 98 LYS HD3 H 1 1.735 0.002 . 2 . . . A 452 LYS HD3 . 25499 1 1027 . 1 1 98 98 LYS HE2 H 1 3.064 0.002 . 2 . . . A 452 LYS HE2 . 25499 1 1028 . 1 1 98 98 LYS HE3 H 1 3.025 0.002 . 2 . . . A 452 LYS HE3 . 25499 1 1029 . 1 1 98 98 LYS CA C 13 55.081 0.000 . 1 . . . A 452 LYS CA . 25499 1 1030 . 1 1 98 98 LYS CB C 13 35.660 0.003 . 1 . . . A 452 LYS CB . 25499 1 1031 . 1 1 98 98 LYS CG C 13 24.605 0.003 . 1 . . . A 452 LYS CG . 25499 1 1032 . 1 1 98 98 LYS CD C 13 29.616 0.004 . 1 . . . A 452 LYS CD . 25499 1 1033 . 1 1 98 98 LYS CE C 13 42.014 0.001 . 1 . . . A 452 LYS CE . 25499 1 1034 . 1 1 98 98 LYS N N 15 121.891 0.000 . 1 . . . A 452 LYS N . 25499 1 1035 . 1 1 99 99 ARG H H 1 8.783 0.001 . 1 . . . A 453 ARG H . 25499 1 1036 . 1 1 99 99 ARG HA H 1 4.841 0.003 . 1 . . . A 453 ARG HA . 25499 1 1037 . 1 1 99 99 ARG HB2 H 1 2.009 0.003 . 2 . . . A 453 ARG HB2 . 25499 1 1038 . 1 1 99 99 ARG HB3 H 1 1.848 0.002 . 2 . . . A 453 ARG HB3 . 25499 1 1039 . 1 1 99 99 ARG HG2 H 1 1.812 0.001 . 2 . . . A 453 ARG HG2 . 25499 1 1040 . 1 1 99 99 ARG HG3 H 1 1.701 0.003 . 2 . . . A 453 ARG HG3 . 25499 1 1041 . 1 1 99 99 ARG HD2 H 1 3.430 0.002 . 2 . . . A 453 ARG HD2 . 25499 1 1042 . 1 1 99 99 ARG HD3 H 1 3.366 0.002 . 2 . . . A 453 ARG HD3 . 25499 1 1043 . 1 1 99 99 ARG HE H 1 7.275 0.003 . 1 . . . A 453 ARG HE . 25499 1 1044 . 1 1 99 99 ARG CA C 13 56.649 0.000 . 1 . . . A 453 ARG CA . 25499 1 1045 . 1 1 99 99 ARG CB C 13 30.144 0.002 . 1 . . . A 453 ARG CB . 25499 1 1046 . 1 1 99 99 ARG CG C 13 28.534 0.008 . 1 . . . A 453 ARG CG . 25499 1 1047 . 1 1 99 99 ARG CD C 13 43.210 0.000 . 1 . . . A 453 ARG CD . 25499 1 1048 . 1 1 99 99 ARG N N 15 125.493 0.000 . 1 . . . A 453 ARG N . 25499 1 1049 . 1 1 99 99 ARG NE N 15 84.288 0.000 . 1 . . . A 453 ARG NE . 25499 1 1050 . 1 1 100 100 LEU H H 1 8.452 0.001 . 1 . . . A 454 LEU H . 25499 1 1051 . 1 1 100 100 LEU HA H 1 4.333 0.002 . 1 . . . A 454 LEU HA . 25499 1 1052 . 1 1 100 100 LEU HB2 H 1 1.779 0.003 . 2 . . . A 454 LEU HB2 . 25499 1 1053 . 1 1 100 100 LEU HB3 H 1 1.735 0.002 . 2 . . . A 454 LEU HB3 . 25499 1 1054 . 1 1 100 100 LEU HG H 1 1.713 0.001 . 1 . . . A 454 LEU HG . 25499 1 1055 . 1 1 100 100 LEU HD11 H 1 1.022 0.004 . 2 . . . A 454 LEU HD11 . 25499 1 1056 . 1 1 100 100 LEU HD12 H 1 1.022 0.004 . 2 . . . A 454 LEU HD12 . 25499 1 1057 . 1 1 100 100 LEU HD13 H 1 1.022 0.004 . 2 . . . A 454 LEU HD13 . 25499 1 1058 . 1 1 100 100 LEU HD21 H 1 0.968 0.004 . 2 . . . A 454 LEU HD21 . 25499 1 1059 . 1 1 100 100 LEU HD22 H 1 0.968 0.004 . 2 . . . A 454 LEU HD22 . 25499 1 1060 . 1 1 100 100 LEU HD23 H 1 0.968 0.004 . 2 . . . A 454 LEU HD23 . 25499 1 1061 . 1 1 100 100 LEU CA C 13 56.473 0.000 . 1 . . . A 454 LEU CA . 25499 1 1062 . 1 1 100 100 LEU CB C 13 43.116 0.004 . 1 . . . A 454 LEU CB . 25499 1 1063 . 1 1 100 100 LEU CG C 13 27.238 0.000 . 1 . . . A 454 LEU CG . 25499 1 1064 . 1 1 100 100 LEU CD1 C 13 25.810 0.000 . 2 . . . A 454 LEU CD1 . 25499 1 1065 . 1 1 100 100 LEU CD2 C 13 22.943 0.000 . 2 . . . A 454 LEU CD2 . 25499 1 1066 . 1 1 100 100 LEU N N 15 131.070 0.000 . 1 . . . A 454 LEU N . 25499 1 stop_ save_