data_25975 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25975 _Entry.Title ; Structure and Dynamics of the Geobacillus stearothermophilus IF2 G3-subdomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-11 _Entry.Accession_date 2016-02-11 _Entry.Last_release_date 2016-07-18 _Entry.Original_release_date 2016-07-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Ramachandra Dongre . . . . 25975 2 Gert Folkers . E. . . 25975 3 Claudio Gualerzi . O. . . 25975 4 Rolf Boelens . . . . 25975 5 Hans Wienk . . . . 25975 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' . 25975 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IF2 . 25975 ribosome . 25975 'translation initiation' . 25975 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25975 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 25975 '15N chemical shifts' 110 25975 '1H chemical shifts' 653 25975 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 . . 2016-10-13 2016-02-11 update BMRB 'update entry citation' 25975 1 . . 2016-07-18 2016-02-11 original author 'original release' 25975 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NBG 'BMRB Entry Tracking System' 25975 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25975 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27364543 _Citation.Full_citation . _Citation.Title ; A model for the interaction of the G3-subdomain of Geobacillus stearothermophilus IF2 with the 30S ribosomal subunit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 9 _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 1722 _Citation.Page_last 1733 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ramachandra Dongre . . . . 25975 1 2 Gert Folkers . E. . . 25975 1 3 Claudio Gualerzi . O. . . 25975 1 4 Rolf Boelens . . . . 25975 1 5 Hans Wienk . . . . 25975 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25975 _Assembly.ID 1 _Assembly.Name 'Geobacillus stearothermophilus IF2 G3-subdomain' _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 entity 1 $entity A . yes native no no . . . 25975 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25975 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLDHLLEMILLVSEMEE LKANPNRRAVGTVIEAKLDK GRGPVATLLVQAGTLKVGDP IVVGTTYGRVRAMVNDSGRR VKEAGPSMPVEITGLHDVPQ AGDRFMVFEDEKKARQIGEA RAQRQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13649.863 _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 1 390 GLY . 25975 1 2 391 SER . 25975 1 3 392 HIS . 25975 1 4 393 MET . 25975 1 5 394 LEU . 25975 1 6 395 ASP . 25975 1 7 396 HIS . 25975 1 8 397 LEU . 25975 1 9 398 LEU . 25975 1 10 399 GLU . 25975 1 11 400 MET . 25975 1 12 401 ILE . 25975 1 13 402 LEU . 25975 1 14 403 LEU . 25975 1 15 404 VAL . 25975 1 16 405 SER . 25975 1 17 406 GLU . 25975 1 18 407 MET . 25975 1 19 408 GLU . 25975 1 20 409 GLU . 25975 1 21 410 LEU . 25975 1 22 411 LYS . 25975 1 23 412 ALA . 25975 1 24 413 ASN . 25975 1 25 414 PRO . 25975 1 26 415 ASN . 25975 1 27 416 ARG . 25975 1 28 417 ARG . 25975 1 29 418 ALA . 25975 1 30 419 VAL . 25975 1 31 420 GLY . 25975 1 32 421 THR . 25975 1 33 422 VAL . 25975 1 34 423 ILE . 25975 1 35 424 GLU . 25975 1 36 425 ALA . 25975 1 37 426 LYS . 25975 1 38 427 LEU . 25975 1 39 428 ASP . 25975 1 40 429 LYS . 25975 1 41 430 GLY . 25975 1 42 431 ARG . 25975 1 43 432 GLY . 25975 1 44 433 PRO . 25975 1 45 434 VAL . 25975 1 46 435 ALA . 25975 1 47 436 THR . 25975 1 48 437 LEU . 25975 1 49 438 LEU . 25975 1 50 439 VAL . 25975 1 51 440 GLN . 25975 1 52 441 ALA . 25975 1 53 442 GLY . 25975 1 54 443 THR . 25975 1 55 444 LEU . 25975 1 56 445 LYS . 25975 1 57 446 VAL . 25975 1 58 447 GLY . 25975 1 59 448 ASP . 25975 1 60 449 PRO . 25975 1 61 450 ILE . 25975 1 62 451 VAL . 25975 1 63 452 VAL . 25975 1 64 453 GLY . 25975 1 65 454 THR . 25975 1 66 455 THR . 25975 1 67 456 TYR . 25975 1 68 457 GLY . 25975 1 69 458 ARG . 25975 1 70 459 VAL . 25975 1 71 460 ARG . 25975 1 72 461 ALA . 25975 1 73 462 MET . 25975 1 74 463 VAL . 25975 1 75 464 ASN . 25975 1 76 465 ASP . 25975 1 77 466 SER . 25975 1 78 467 GLY . 25975 1 79 468 ARG . 25975 1 80 469 ARG . 25975 1 81 470 VAL . 25975 1 82 471 LYS . 25975 1 83 472 GLU . 25975 1 84 473 ALA . 25975 1 85 474 GLY . 25975 1 86 475 PRO . 25975 1 87 476 SER . 25975 1 88 477 MET . 25975 1 89 478 PRO . 25975 1 90 479 VAL . 25975 1 91 480 GLU . 25975 1 92 481 ILE . 25975 1 93 482 THR . 25975 1 94 483 GLY . 25975 1 95 484 LEU . 25975 1 96 485 HIS . 25975 1 97 486 ASP . 25975 1 98 487 VAL . 25975 1 99 488 PRO . 25975 1 100 489 GLN . 25975 1 101 490 ALA . 25975 1 102 491 GLY . 25975 1 103 492 ASP . 25975 1 104 493 ARG . 25975 1 105 494 PHE . 25975 1 106 495 MET . 25975 1 107 496 VAL . 25975 1 108 497 PHE . 25975 1 109 498 GLU . 25975 1 110 499 ASP . 25975 1 111 500 GLU . 25975 1 112 501 LYS . 25975 1 113 502 LYS . 25975 1 114 503 ALA . 25975 1 115 504 ARG . 25975 1 116 505 GLN . 25975 1 117 506 ILE . 25975 1 118 507 GLY . 25975 1 119 508 GLU . 25975 1 120 509 ALA . 25975 1 121 510 ARG . 25975 1 122 511 ALA . 25975 1 123 512 GLN . 25975 1 124 513 ARG . 25975 1 125 514 GLN . 25975 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 25975 1 . SER 2 2 25975 1 . HIS 3 3 25975 1 . MET 4 4 25975 1 . LEU 5 5 25975 1 . ASP 6 6 25975 1 . HIS 7 7 25975 1 . LEU 8 8 25975 1 . LEU 9 9 25975 1 . GLU 10 10 25975 1 . MET 11 11 25975 1 . ILE 12 12 25975 1 . LEU 13 13 25975 1 . LEU 14 14 25975 1 . VAL 15 15 25975 1 . SER 16 16 25975 1 . GLU 17 17 25975 1 . MET 18 18 25975 1 . GLU 19 19 25975 1 . GLU 20 20 25975 1 . LEU 21 21 25975 1 . LYS 22 22 25975 1 . ALA 23 23 25975 1 . ASN 24 24 25975 1 . PRO 25 25 25975 1 . ASN 26 26 25975 1 . ARG 27 27 25975 1 . ARG 28 28 25975 1 . ALA 29 29 25975 1 . VAL 30 30 25975 1 . GLY 31 31 25975 1 . THR 32 32 25975 1 . VAL 33 33 25975 1 . ILE 34 34 25975 1 . GLU 35 35 25975 1 . ALA 36 36 25975 1 . LYS 37 37 25975 1 . LEU 38 38 25975 1 . ASP 39 39 25975 1 . LYS 40 40 25975 1 . GLY 41 41 25975 1 . ARG 42 42 25975 1 . GLY 43 43 25975 1 . PRO 44 44 25975 1 . VAL 45 45 25975 1 . ALA 46 46 25975 1 . THR 47 47 25975 1 . LEU 48 48 25975 1 . LEU 49 49 25975 1 . VAL 50 50 25975 1 . GLN 51 51 25975 1 . ALA 52 52 25975 1 . GLY 53 53 25975 1 . THR 54 54 25975 1 . LEU 55 55 25975 1 . LYS 56 56 25975 1 . VAL 57 57 25975 1 . GLY 58 58 25975 1 . ASP 59 59 25975 1 . PRO 60 60 25975 1 . ILE 61 61 25975 1 . VAL 62 62 25975 1 . VAL 63 63 25975 1 . GLY 64 64 25975 1 . THR 65 65 25975 1 . THR 66 66 25975 1 . TYR 67 67 25975 1 . GLY 68 68 25975 1 . ARG 69 69 25975 1 . VAL 70 70 25975 1 . ARG 71 71 25975 1 . ALA 72 72 25975 1 . MET 73 73 25975 1 . VAL 74 74 25975 1 . ASN 75 75 25975 1 . ASP 76 76 25975 1 . SER 77 77 25975 1 . GLY 78 78 25975 1 . ARG 79 79 25975 1 . ARG 80 80 25975 1 . VAL 81 81 25975 1 . LYS 82 82 25975 1 . GLU 83 83 25975 1 . ALA 84 84 25975 1 . GLY 85 85 25975 1 . PRO 86 86 25975 1 . SER 87 87 25975 1 . MET 88 88 25975 1 . PRO 89 89 25975 1 . VAL 90 90 25975 1 . GLU 91 91 25975 1 . ILE 92 92 25975 1 . THR 93 93 25975 1 . GLY 94 94 25975 1 . LEU 95 95 25975 1 . HIS 96 96 25975 1 . ASP 97 97 25975 1 . VAL 98 98 25975 1 . PRO 99 99 25975 1 . GLN 100 100 25975 1 . ALA 101 101 25975 1 . GLY 102 102 25975 1 . ASP 103 103 25975 1 . ARG 104 104 25975 1 . PHE 105 105 25975 1 . MET 106 106 25975 1 . VAL 107 107 25975 1 . PHE 108 108 25975 1 . GLU 109 109 25975 1 . ASP 110 110 25975 1 . GLU 111 111 25975 1 . LYS 112 112 25975 1 . LYS 113 113 25975 1 . ALA 114 114 25975 1 . ARG 115 115 25975 1 . GLN 116 116 25975 1 . ILE 117 117 25975 1 . GLY 118 118 25975 1 . GLU 119 119 25975 1 . ALA 120 120 25975 1 . ARG 121 121 25975 1 . ALA 122 122 25975 1 . GLN 123 123 25975 1 . ARG 124 124 25975 1 . GLN 125 125 25975 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 25975 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1422 organism . 'Bacillus stearothermophilus' fermicutes . . Bacteria Terrabacteria Bacillus stearothermophilus . . . . . . . . . . . . . 25975 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 25975 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pEV . . . 25975 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25975 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 IF2-G3 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.15 . . mM . . . . 25975 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25975 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25975 1 4 glycerol 'natural abundance' . . . . . . 2 . . % . . . . 25975 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25975 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25975 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25975 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25975 1 pH 6.5 . pH 25975 1 pressure 1 . atm 25975 1 temperature 303 . K 25975 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25975 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25975 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25975 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25975 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25975 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25975 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25975 _Software.ID 3 _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' . . 25975 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25975 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25975 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25975 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25975 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25975 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25975 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25975 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 25975 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25975 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25975 _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 . 600 . . . 25975 1 2 spectrometer_2 Bruker Avance . 900 . . . 25975 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 25975 _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 . . . . . . . . . . . . . . . . 25975 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 7 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 9 '3D HBHACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25975 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25975 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25975 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25975 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 25975 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25975 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25975 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25975 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 25975 _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' . . . 25975 1 2 '2D 1H-13C HSQC' . . . 25975 1 3 '3D CBCA(CO)NH' . . . 25975 1 4 '3D HNCACB' . . . 25975 1 5 '3D HNCA' . . . 25975 1 6 '3D HNCO' . . . 25975 1 7 '3D HNCACO' . . . 25975 1 8 '3D 1H-15N TOCSY' . . . 25975 1 9 '3D HBHACONH' . . . 25975 1 10 '3D HCCH-TOCSY' . . . 25975 1 11 '2D 1H-1H NOESY' . . . 25975 1 12 '3D 1H-15N NOESY' . . . 25975 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 12 12 ILE HA H 1 3.899 . . . . . . A 401 ILE HA . 25975 1 2 . 1 1 12 12 ILE HB H 1 1.978 . . . . . . A 401 ILE HB . 25975 1 3 . 1 1 12 12 ILE C C 13 171.766 . . . . . . A 401 ILE C . 25975 1 4 . 1 1 12 12 ILE CA C 13 60.690 . . . . . . A 401 ILE CA . 25975 1 5 . 1 1 12 12 ILE CB C 13 38.966 . . . . . . A 401 ILE CB . 25975 1 6 . 1 1 13 13 LEU H H 1 8.534 . . . . . . A 402 LEU H . 25975 1 7 . 1 1 13 13 LEU HA H 1 4.481 . . . . . . A 402 LEU HA . 25975 1 8 . 1 1 13 13 LEU HB2 H 1 1.631 . . . . . . A 402 LEU HB2 . 25975 1 9 . 1 1 13 13 LEU HB3 H 1 1.631 . . . . . . A 402 LEU HB3 . 25975 1 10 . 1 1 13 13 LEU C C 13 176.274 . . . . . . A 402 LEU C . 25975 1 11 . 1 1 13 13 LEU CA C 13 55.116 . . . . . . A 402 LEU CA . 25975 1 12 . 1 1 13 13 LEU CB C 13 42.739 . . . . . . A 402 LEU CB . 25975 1 13 . 1 1 13 13 LEU N N 15 126.710 . . . . . . A 402 LEU N . 25975 1 14 . 1 1 14 14 LEU H H 1 8.549 . . . . . . A 403 LEU H . 25975 1 15 . 1 1 14 14 LEU HA H 1 4.416 . . . . . . A 403 LEU HA . 25975 1 16 . 1 1 14 14 LEU HB2 H 1 1.631 . . . . . . A 403 LEU HB2 . 25975 1 17 . 1 1 14 14 LEU HB3 H 1 1.631 . . . . . . A 403 LEU HB3 . 25975 1 18 . 1 1 14 14 LEU HD11 H 1 0.946 . . . . . . A 403 LEU HD11 . 25975 1 19 . 1 1 14 14 LEU HD12 H 1 0.946 . . . . . . A 403 LEU HD12 . 25975 1 20 . 1 1 14 14 LEU HD13 H 1 0.946 . . . . . . A 403 LEU HD13 . 25975 1 21 . 1 1 14 14 LEU HD21 H 1 0.886 . . . . . . A 403 LEU HD21 . 25975 1 22 . 1 1 14 14 LEU HD22 H 1 0.886 . . . . . . A 403 LEU HD22 . 25975 1 23 . 1 1 14 14 LEU HD23 H 1 0.886 . . . . . . A 403 LEU HD23 . 25975 1 24 . 1 1 14 14 LEU C C 13 177.291 . . . . . . A 403 LEU C . 25975 1 25 . 1 1 14 14 LEU CA C 13 55.240 . . . . . . A 403 LEU CA . 25975 1 26 . 1 1 14 14 LEU CB C 13 42.533 . . . . . . A 403 LEU CB . 25975 1 27 . 1 1 14 14 LEU CD1 C 13 24.947 . . . . . . A 403 LEU CD1 . 25975 1 28 . 1 1 14 14 LEU CD2 C 13 23.723 . . . . . . A 403 LEU CD2 . 25975 1 29 . 1 1 14 14 LEU N N 15 125.297 . . . . . . A 403 LEU N . 25975 1 30 . 1 1 15 15 VAL H H 1 8.245 . . . . . . A 404 VAL H . 25975 1 31 . 1 1 15 15 VAL HA H 1 4.133 . . . . . . A 404 VAL HA . 25975 1 32 . 1 1 15 15 VAL HB H 1 2.094 . . . . . . A 404 VAL HB . 25975 1 33 . 1 1 15 15 VAL HG11 H 1 0.971 . . . . . . A 404 VAL HG11 . 25975 1 34 . 1 1 15 15 VAL HG12 H 1 0.971 . . . . . . A 404 VAL HG12 . 25975 1 35 . 1 1 15 15 VAL HG13 H 1 0.971 . . . . . . A 404 VAL HG13 . 25975 1 36 . 1 1 15 15 VAL C C 13 176.497 . . . . . . A 404 VAL C . 25975 1 37 . 1 1 15 15 VAL CA C 13 62.923 . . . . . . A 404 VAL CA . 25975 1 38 . 1 1 15 15 VAL CB C 13 32.845 . . . . . . A 404 VAL CB . 25975 1 39 . 1 1 15 15 VAL CG1 C 13 20.972 . . . . . . A 404 VAL CG1 . 25975 1 40 . 1 1 15 15 VAL N N 15 121.507 . . . . . . A 404 VAL N . 25975 1 41 . 1 1 16 16 SER H H 1 8.364 . . . . . . A 405 SER H . 25975 1 42 . 1 1 16 16 SER HA H 1 4.461 . . . . . . A 405 SER HA . 25975 1 43 . 1 1 16 16 SER HB2 H 1 3.977 . . . . . . A 405 SER HB2 . 25975 1 44 . 1 1 16 16 SER HB3 H 1 3.898 . . . . . . A 405 SER HB3 . 25975 1 45 . 1 1 16 16 SER C C 13 175.239 . . . . . . A 405 SER C . 25975 1 46 . 1 1 16 16 SER CA C 13 58.912 . . . . . . A 405 SER CA . 25975 1 47 . 1 1 16 16 SER CB C 13 63.797 . . . . . . A 405 SER CB . 25975 1 48 . 1 1 16 16 SER N N 15 118.255 . . . . . . A 405 SER N . 25975 1 49 . 1 1 17 17 GLU H H 1 8.373 . . . . . . A 406 GLU H . 25975 1 50 . 1 1 17 17 GLU HA H 1 4.337 . . . . . . A 406 GLU HA . 25975 1 51 . 1 1 17 17 GLU HB2 H 1 2.111 . . . . . . A 406 GLU HB2 . 25975 1 52 . 1 1 17 17 GLU HB3 H 1 2.111 . . . . . . A 406 GLU HB3 . 25975 1 53 . 1 1 17 17 GLU HG2 H 1 2.381 . . . . . . A 406 GLU HG2 . 25975 1 54 . 1 1 17 17 GLU HG3 H 1 2.381 . . . . . . A 406 GLU HG3 . 25975 1 55 . 1 1 17 17 GLU C C 13 176.278 . . . . . . A 406 GLU C . 25975 1 56 . 1 1 17 17 GLU CA C 13 56.211 . . . . . . A 406 GLU CA . 25975 1 57 . 1 1 17 17 GLU CB C 13 30.577 . . . . . . A 406 GLU CB . 25975 1 58 . 1 1 17 17 GLU CG C 13 34.054 . . . . . . A 406 GLU CG . 25975 1 59 . 1 1 17 17 GLU N N 15 122.679 . . . . . . A 406 GLU N . 25975 1 60 . 1 1 18 18 MET H H 1 8.413 . . . . . . A 407 MET H . 25975 1 61 . 1 1 18 18 MET C C 13 176.304 . . . . . . A 407 MET C . 25975 1 62 . 1 1 18 18 MET CA C 13 56.496 . . . . . . A 407 MET CA . 25975 1 63 . 1 1 18 18 MET CB C 13 32.794 . . . . . . A 407 MET CB . 25975 1 64 . 1 1 18 18 MET N N 15 122.781 . . . . . . A 407 MET N . 25975 1 65 . 1 1 19 19 GLU H H 1 8.323 . . . . . . A 408 GLU H . 25975 1 66 . 1 1 19 19 GLU C C 13 175.311 . . . . . . A 408 GLU C . 25975 1 67 . 1 1 19 19 GLU CA C 13 56.228 . . . . . . A 408 GLU CA . 25975 1 68 . 1 1 19 19 GLU CB C 13 33.082 . . . . . . A 408 GLU CB . 25975 1 69 . 1 1 19 19 GLU N N 15 123.670 . . . . . . A 408 GLU N . 25975 1 70 . 1 1 20 20 GLU H H 1 8.471 . . . . . . A 409 GLU H . 25975 1 71 . 1 1 20 20 GLU HA H 1 4.155 . . . . . . A 409 GLU HA . 25975 1 72 . 1 1 20 20 GLU HB2 H 1 2.091 . . . . . . A 409 GLU HB2 . 25975 1 73 . 1 1 20 20 GLU HB3 H 1 2.091 . . . . . . A 409 GLU HB3 . 25975 1 74 . 1 1 20 20 GLU C C 13 177.262 . . . . . . A 409 GLU C . 25975 1 75 . 1 1 20 20 GLU CA C 13 56.593 . . . . . . A 409 GLU CA . 25975 1 76 . 1 1 20 20 GLU CB C 13 30.282 . . . . . . A 409 GLU CB . 25975 1 77 . 1 1 20 20 GLU N N 15 122.724 . . . . . . A 409 GLU N . 25975 1 78 . 1 1 21 21 LEU H H 1 8.100 . . . . . . A 410 LEU H . 25975 1 79 . 1 1 21 21 LEU HA H 1 4.249 . . . . . . A 410 LEU HA . 25975 1 80 . 1 1 21 21 LEU HB2 H 1 1.719 . . . . . . A 410 LEU HB2 . 25975 1 81 . 1 1 21 21 LEU HB3 H 1 1.719 . . . . . . A 410 LEU HB3 . 25975 1 82 . 1 1 21 21 LEU C C 13 177.925 . . . . . . A 410 LEU C . 25975 1 83 . 1 1 21 21 LEU CA C 13 56.119 . . . . . . A 410 LEU CA . 25975 1 84 . 1 1 21 21 LEU CB C 13 42.249 . . . . . . A 410 LEU CB . 25975 1 85 . 1 1 21 21 LEU N N 15 121.404 . . . . . . A 410 LEU N . 25975 1 86 . 1 1 22 22 LYS H H 1 7.962 . . . . . . A 411 LYS H . 25975 1 87 . 1 1 22 22 LYS HA H 1 4.227 . . . . . . A 411 LYS HA . 25975 1 88 . 1 1 22 22 LYS HB2 H 1 1.850 . . . . . . A 411 LYS HB2 . 25975 1 89 . 1 1 22 22 LYS HB3 H 1 1.497 . . . . . . A 411 LYS HB3 . 25975 1 90 . 1 1 22 22 LYS HG2 H 1 1.524 . . . . . . A 411 LYS HG2 . 25975 1 91 . 1 1 22 22 LYS HG3 H 1 1.524 . . . . . . A 411 LYS HG3 . 25975 1 92 . 1 1 22 22 LYS C C 13 176.632 . . . . . . A 411 LYS C . 25975 1 93 . 1 1 22 22 LYS CA C 13 56.971 . . . . . . A 411 LYS CA . 25975 1 94 . 1 1 22 22 LYS CB C 13 32.728 . . . . . . A 411 LYS CB . 25975 1 95 . 1 1 22 22 LYS N N 15 119.826 . . . . . . A 411 LYS N . 25975 1 96 . 1 1 23 23 ALA H H 1 7.977 . . . . . . A 412 ALA H . 25975 1 97 . 1 1 23 23 ALA HA H 1 4.310 . . . . . . A 412 ALA HA . 25975 1 98 . 1 1 23 23 ALA HB1 H 1 1.409 . . . . . . A 412 ALA HB1 . 25975 1 99 . 1 1 23 23 ALA HB2 H 1 1.409 . . . . . . A 412 ALA HB2 . 25975 1 100 . 1 1 23 23 ALA HB3 H 1 1.409 . . . . . . A 412 ALA HB3 . 25975 1 101 . 1 1 23 23 ALA C C 13 177.179 . . . . . . A 412 ALA C . 25975 1 102 . 1 1 23 23 ALA CA C 13 52.622 . . . . . . A 412 ALA CA . 25975 1 103 . 1 1 23 23 ALA CB C 13 19.242 . . . . . . A 412 ALA CB . 25975 1 104 . 1 1 23 23 ALA N N 15 122.563 . . . . . . A 412 ALA N . 25975 1 105 . 1 1 24 24 ASN H H 1 8.158 . . . . . . A 413 ASN H . 25975 1 106 . 1 1 24 24 ASN HA H 1 4.977 . . . . . . A 413 ASN HA . 25975 1 107 . 1 1 24 24 ASN HB2 H 1 2.885 . . . . . . A 413 ASN HB2 . 25975 1 108 . 1 1 24 24 ASN HB3 H 1 2.753 . . . . . . A 413 ASN HB3 . 25975 1 109 . 1 1 24 24 ASN HD21 H 1 6.842 . . . . . . A 413 ASN HD21 . 25975 1 110 . 1 1 24 24 ASN HD22 H 1 7.701 . . . . . . A 413 ASN HD22 . 25975 1 111 . 1 1 24 24 ASN C C 13 173.661 . . . . . . A 413 ASN C . 25975 1 112 . 1 1 24 24 ASN CA C 13 51.441 . . . . . . A 413 ASN CA . 25975 1 113 . 1 1 24 24 ASN CB C 13 39.319 . . . . . . A 413 ASN CB . 25975 1 114 . 1 1 24 24 ASN N N 15 118.010 . . . . . . A 413 ASN N . 25975 1 115 . 1 1 24 24 ASN ND2 N 15 112.841 . . . . . . A 413 ASN ND2 . 25975 1 116 . 1 1 25 25 PRO HA H 1 4.463 . . . . . . A 414 PRO HA . 25975 1 117 . 1 1 25 25 PRO HB2 H 1 1.954 . . . . . . A 414 PRO HB2 . 25975 1 118 . 1 1 25 25 PRO HB3 H 1 2.300 . . . . . . A 414 PRO HB3 . 25975 1 119 . 1 1 25 25 PRO HG2 H 1 2.266 . . . . . . A 414 PRO HG2 . 25975 1 120 . 1 1 25 25 PRO HG3 H 1 2.035 . . . . . . A 414 PRO HG3 . 25975 1 121 . 1 1 25 25 PRO HD2 H 1 3.853 . . . . . . A 414 PRO HD2 . 25975 1 122 . 1 1 25 25 PRO HD3 H 1 3.756 . . . . . . A 414 PRO HD3 . 25975 1 123 . 1 1 25 25 PRO C C 13 177.000 . . . . . . A 414 PRO C . 25975 1 124 . 1 1 25 25 PRO CA C 13 63.826 . . . . . . A 414 PRO CA . 25975 1 125 . 1 1 25 25 PRO CB C 13 32.296 . . . . . . A 414 PRO CB . 25975 1 126 . 1 1 25 25 PRO CG C 13 27.443 . . . . . . A 414 PRO CG . 25975 1 127 . 1 1 25 25 PRO CD C 13 50.924 . . . . . . A 414 PRO CD . 25975 1 128 . 1 1 26 26 ASN H H 1 8.493 . . . . . . A 415 ASN H . 25975 1 129 . 1 1 26 26 ASN HA H 1 4.766 . . . . . . A 415 ASN HA . 25975 1 130 . 1 1 26 26 ASN HB2 H 1 2.898 . . . . . . A 415 ASN HB2 . 25975 1 131 . 1 1 26 26 ASN HB3 H 1 2.824 . . . . . . A 415 ASN HB3 . 25975 1 132 . 1 1 26 26 ASN C C 13 174.947 . . . . . . A 415 ASN C . 25975 1 133 . 1 1 26 26 ASN CA C 13 53.594 . . . . . . A 415 ASN CA . 25975 1 134 . 1 1 26 26 ASN CB C 13 38.968 . . . . . . A 415 ASN CB . 25975 1 135 . 1 1 26 26 ASN N N 15 117.466 . . . . . . A 415 ASN N . 25975 1 136 . 1 1 27 27 ARG H H 1 8.380 . . . . . . A 416 ARG H . 25975 1 137 . 1 1 27 27 ARG C C 13 176.283 . . . . . . A 416 ARG C . 25975 1 138 . 1 1 27 27 ARG N N 15 121.674 . . . . . . A 416 ARG N . 25975 1 139 . 1 1 28 28 ARG CA C 13 56.858 . . . . . . A 417 ARG CA . 25975 1 140 . 1 1 29 29 ALA H H 1 7.802 . . . . . . A 418 ALA H . 25975 1 141 . 1 1 29 29 ALA HA H 1 5.141 . . . . . . A 418 ALA HA . 25975 1 142 . 1 1 29 29 ALA HB1 H 1 1.446 . . . . . . A 418 ALA HB1 . 25975 1 143 . 1 1 29 29 ALA HB2 H 1 1.446 . . . . . . A 418 ALA HB2 . 25975 1 144 . 1 1 29 29 ALA HB3 H 1 1.446 . . . . . . A 418 ALA HB3 . 25975 1 145 . 1 1 29 29 ALA C C 13 176.129 . . . . . . A 418 ALA C . 25975 1 146 . 1 1 29 29 ALA CA C 13 52.411 . . . . . . A 418 ALA CA . 25975 1 147 . 1 1 29 29 ALA CB C 13 20.792 . . . . . . A 418 ALA CB . 25975 1 148 . 1 1 29 29 ALA N N 15 121.563 . . . . . . A 418 ALA N . 25975 1 149 . 1 1 30 30 VAL H H 1 8.094 . . . . . . A 419 VAL H . 25975 1 150 . 1 1 30 30 VAL HA H 1 4.578 . . . . . . A 419 VAL HA . 25975 1 151 . 1 1 30 30 VAL HB H 1 2.030 . . . . . . A 419 VAL HB . 25975 1 152 . 1 1 30 30 VAL HG11 H 1 0.954 . . . . . . A 419 VAL HG11 . 25975 1 153 . 1 1 30 30 VAL HG12 H 1 0.954 . . . . . . A 419 VAL HG12 . 25975 1 154 . 1 1 30 30 VAL HG13 H 1 0.954 . . . . . . A 419 VAL HG13 . 25975 1 155 . 1 1 30 30 VAL HG21 H 1 0.868 . . . . . . A 419 VAL HG21 . 25975 1 156 . 1 1 30 30 VAL HG22 H 1 0.868 . . . . . . A 419 VAL HG22 . 25975 1 157 . 1 1 30 30 VAL HG23 H 1 0.868 . . . . . . A 419 VAL HG23 . 25975 1 158 . 1 1 30 30 VAL C C 13 174.798 . . . . . . A 419 VAL C . 25975 1 159 . 1 1 30 30 VAL CA C 13 59.040 . . . . . . A 419 VAL CA . 25975 1 160 . 1 1 30 30 VAL CB C 13 36.746 . . . . . . A 419 VAL CB . 25975 1 161 . 1 1 30 30 VAL CG1 C 13 21.678 . . . . . . A 419 VAL CG1 . 25975 1 162 . 1 1 30 30 VAL CG2 C 13 19.852 . . . . . . A 419 VAL CG2 . 25975 1 163 . 1 1 30 30 VAL N N 15 112.963 . . . . . . A 419 VAL N . 25975 1 164 . 1 1 31 31 GLY H H 1 6.735 . . . . . . A 420 GLY H . 25975 1 165 . 1 1 31 31 GLY HA2 H 1 3.973 . . . . . . A 420 GLY HA2 . 25975 1 166 . 1 1 31 31 GLY HA3 H 1 3.973 . . . . . . A 420 GLY HA3 . 25975 1 167 . 1 1 31 31 GLY C C 13 172.607 . . . . . . A 420 GLY C . 25975 1 168 . 1 1 31 31 GLY CA C 13 47.293 . . . . . . A 420 GLY CA . 25975 1 169 . 1 1 31 31 GLY N N 15 108.327 . . . . . . A 420 GLY N . 25975 1 170 . 1 1 32 32 THR H H 1 8.493 . . . . . . A 421 THR H . 25975 1 171 . 1 1 32 32 THR HA H 1 5.538 . . . . . . A 421 THR HA . 25975 1 172 . 1 1 32 32 THR HB H 1 3.853 . . . . . . A 421 THR HB . 25975 1 173 . 1 1 32 32 THR HG21 H 1 1.155 . . . . . . A 421 THR HG21 . 25975 1 174 . 1 1 32 32 THR HG22 H 1 1.155 . . . . . . A 421 THR HG22 . 25975 1 175 . 1 1 32 32 THR HG23 H 1 1.155 . . . . . . A 421 THR HG23 . 25975 1 176 . 1 1 32 32 THR C C 13 173.094 . . . . . . A 421 THR C . 25975 1 177 . 1 1 32 32 THR CA C 13 60.284 . . . . . . A 421 THR CA . 25975 1 178 . 1 1 32 32 THR CB C 13 72.626 . . . . . . A 421 THR CB . 25975 1 179 . 1 1 32 32 THR CG2 C 13 21.417 . . . . . . A 421 THR CG2 . 25975 1 180 . 1 1 32 32 THR N N 15 115.084 . . . . . . A 421 THR N . 25975 1 181 . 1 1 33 33 VAL H H 1 8.909 . . . . . . A 422 VAL H . 25975 1 182 . 1 1 33 33 VAL HA H 1 4.289 . . . . . . A 422 VAL HA . 25975 1 183 . 1 1 33 33 VAL HB H 1 2.315 . . . . . . A 422 VAL HB . 25975 1 184 . 1 1 33 33 VAL HG11 H 1 0.807 . . . . . . A 422 VAL HG11 . 25975 1 185 . 1 1 33 33 VAL HG12 H 1 0.807 . . . . . . A 422 VAL HG12 . 25975 1 186 . 1 1 33 33 VAL HG13 H 1 0.807 . . . . . . A 422 VAL HG13 . 25975 1 187 . 1 1 33 33 VAL HG21 H 1 0.636 . . . . . . A 422 VAL HG21 . 25975 1 188 . 1 1 33 33 VAL HG22 H 1 0.636 . . . . . . A 422 VAL HG22 . 25975 1 189 . 1 1 33 33 VAL HG23 H 1 0.636 . . . . . . A 422 VAL HG23 . 25975 1 190 . 1 1 33 33 VAL C C 13 176.668 . . . . . . A 422 VAL C . 25975 1 191 . 1 1 33 33 VAL CA C 13 62.373 . . . . . . A 422 VAL CA . 25975 1 192 . 1 1 33 33 VAL CB C 13 32.604 . . . . . . A 422 VAL CB . 25975 1 193 . 1 1 33 33 VAL CG1 C 13 23.180 . . . . . . A 422 VAL CG1 . 25975 1 194 . 1 1 33 33 VAL CG2 C 13 22.307 . . . . . . A 422 VAL CG2 . 25975 1 195 . 1 1 33 33 VAL N N 15 123.561 . . . . . . A 422 VAL N . 25975 1 196 . 1 1 34 34 ILE H H 1 9.484 . . . . . . A 423 ILE H . 25975 1 197 . 1 1 34 34 ILE HA H 1 4.191 . . . . . . A 423 ILE HA . 25975 1 198 . 1 1 34 34 ILE HB H 1 1.754 . . . . . . A 423 ILE HB . 25975 1 199 . 1 1 34 34 ILE HG12 H 1 1.447 . . . . . . A 423 ILE HG12 . 25975 1 200 . 1 1 34 34 ILE HG13 H 1 1.189 . . . . . . A 423 ILE HG13 . 25975 1 201 . 1 1 34 34 ILE HG21 H 1 0.966 . . . . . . A 423 ILE HG21 . 25975 1 202 . 1 1 34 34 ILE HG22 H 1 0.966 . . . . . . A 423 ILE HG22 . 25975 1 203 . 1 1 34 34 ILE HG23 H 1 0.966 . . . . . . A 423 ILE HG23 . 25975 1 204 . 1 1 34 34 ILE HD11 H 1 0.831 . . . . . . A 423 ILE HD11 . 25975 1 205 . 1 1 34 34 ILE HD12 H 1 0.831 . . . . . . A 423 ILE HD12 . 25975 1 206 . 1 1 34 34 ILE HD13 H 1 0.831 . . . . . . A 423 ILE HD13 . 25975 1 207 . 1 1 34 34 ILE C C 13 175.489 . . . . . . A 423 ILE C . 25975 1 208 . 1 1 34 34 ILE CA C 13 62.701 . . . . . . A 423 ILE CA . 25975 1 209 . 1 1 34 34 ILE CB C 13 38.543 . . . . . . A 423 ILE CB . 25975 1 210 . 1 1 34 34 ILE CG1 C 13 27.405 . . . . . . A 423 ILE CG1 . 25975 1 211 . 1 1 34 34 ILE CG2 C 13 17.208 . . . . . . A 423 ILE CG2 . 25975 1 212 . 1 1 34 34 ILE CD1 C 13 12.124 . . . . . . A 423 ILE CD1 . 25975 1 213 . 1 1 34 34 ILE N N 15 129.529 . . . . . . A 423 ILE N . 25975 1 214 . 1 1 35 35 GLU H H 1 7.507 . . . . . . A 424 GLU H . 25975 1 215 . 1 1 35 35 GLU HA H 1 4.577 . . . . . . A 424 GLU HA . 25975 1 216 . 1 1 35 35 GLU HB2 H 1 2.076 . . . . . . A 424 GLU HB2 . 25975 1 217 . 1 1 35 35 GLU HB3 H 1 2.076 . . . . . . A 424 GLU HB3 . 25975 1 218 . 1 1 35 35 GLU HG2 H 1 2.235 . . . . . . A 424 GLU HG2 . 25975 1 219 . 1 1 35 35 GLU HG3 H 1 2.141 . . . . . . A 424 GLU HG3 . 25975 1 220 . 1 1 35 35 GLU C C 13 172.808 . . . . . . A 424 GLU C . 25975 1 221 . 1 1 35 35 GLU CA C 13 55.145 . . . . . . A 424 GLU CA . 25975 1 222 . 1 1 35 35 GLU CB C 13 32.739 . . . . . . A 424 GLU CB . 25975 1 223 . 1 1 35 35 GLU CG C 13 35.118 . . . . . . A 424 GLU CG . 25975 1 224 . 1 1 35 35 GLU N N 15 115.134 . . . . . . A 424 GLU N . 25975 1 225 . 1 1 36 36 ALA H H 1 8.786 . . . . . . A 425 ALA H . 25975 1 226 . 1 1 36 36 ALA HA H 1 5.054 . . . . . . A 425 ALA HA . 25975 1 227 . 1 1 36 36 ALA HB1 H 1 1.294 . . . . . . A 425 ALA HB1 . 25975 1 228 . 1 1 36 36 ALA HB2 H 1 1.294 . . . . . . A 425 ALA HB2 . 25975 1 229 . 1 1 36 36 ALA HB3 H 1 1.294 . . . . . . A 425 ALA HB3 . 25975 1 230 . 1 1 36 36 ALA C C 13 174.981 . . . . . . A 425 ALA C . 25975 1 231 . 1 1 36 36 ALA CA C 13 52.580 . . . . . . A 425 ALA CA . 25975 1 232 . 1 1 36 36 ALA CB C 13 23.205 . . . . . . A 425 ALA CB . 25975 1 233 . 1 1 36 36 ALA N N 15 123.872 . . . . . . A 425 ALA N . 25975 1 234 . 1 1 37 37 LYS H H 1 8.811 . . . . . . A 426 LYS H . 25975 1 235 . 1 1 37 37 LYS HA H 1 4.642 . . . . . . A 426 LYS HA . 25975 1 236 . 1 1 37 37 LYS HB2 H 1 1.989 . . . . . . A 426 LYS HB2 . 25975 1 237 . 1 1 37 37 LYS HB3 H 1 1.725 . . . . . . A 426 LYS HB3 . 25975 1 238 . 1 1 37 37 LYS HG2 H 1 1.232 . . . . . . A 426 LYS HG2 . 25975 1 239 . 1 1 37 37 LYS HG3 H 1 0.983 . . . . . . A 426 LYS HG3 . 25975 1 240 . 1 1 37 37 LYS HD2 H 1 1.597 . . . . . . A 426 LYS HD2 . 25975 1 241 . 1 1 37 37 LYS HD3 H 1 1.557 . . . . . . A 426 LYS HD3 . 25975 1 242 . 1 1 37 37 LYS HE2 H 1 2.794 . . . . . . A 426 LYS HE2 . 25975 1 243 . 1 1 37 37 LYS HE3 H 1 2.794 . . . . . . A 426 LYS HE3 . 25975 1 244 . 1 1 37 37 LYS C C 13 172.964 . . . . . . A 426 LYS C . 25975 1 245 . 1 1 37 37 LYS CA C 13 55.610 . . . . . . A 426 LYS CA . 25975 1 246 . 1 1 37 37 LYS CB C 13 35.341 . . . . . . A 426 LYS CB . 25975 1 247 . 1 1 37 37 LYS CG C 13 23.307 . . . . . . A 426 LYS CG . 25975 1 248 . 1 1 37 37 LYS CD C 13 29.542 . . . . . . A 426 LYS CD . 25975 1 249 . 1 1 37 37 LYS CE C 13 42.435 . . . . . . A 426 LYS CE . 25975 1 250 . 1 1 37 37 LYS N N 15 116.507 . . . . . . A 426 LYS N . 25975 1 251 . 1 1 38 38 LEU H H 1 8.679 . . . . . . A 427 LEU H . 25975 1 252 . 1 1 38 38 LEU HA H 1 4.336 . . . . . . A 427 LEU HA . 25975 1 253 . 1 1 38 38 LEU HB2 H 1 1.873 . . . . . . A 427 LEU HB2 . 25975 1 254 . 1 1 38 38 LEU HB3 H 1 1.354 . . . . . . A 427 LEU HB3 . 25975 1 255 . 1 1 38 38 LEU HG H 1 1.235 . . . . . . A 427 LEU HG . 25975 1 256 . 1 1 38 38 LEU HD11 H 1 0.866 . . . . . . A 427 LEU HD11 . 25975 1 257 . 1 1 38 38 LEU HD12 H 1 0.866 . . . . . . A 427 LEU HD12 . 25975 1 258 . 1 1 38 38 LEU HD13 H 1 0.866 . . . . . . A 427 LEU HD13 . 25975 1 259 . 1 1 38 38 LEU HD21 H 1 0.740 . . . . . . A 427 LEU HD21 . 25975 1 260 . 1 1 38 38 LEU HD22 H 1 0.740 . . . . . . A 427 LEU HD22 . 25975 1 261 . 1 1 38 38 LEU HD23 H 1 0.740 . . . . . . A 427 LEU HD23 . 25975 1 262 . 1 1 38 38 LEU C C 13 175.174 . . . . . . A 427 LEU C . 25975 1 263 . 1 1 38 38 LEU CA C 13 54.409 . . . . . . A 427 LEU CA . 25975 1 264 . 1 1 38 38 LEU CB C 13 42.304 . . . . . . A 427 LEU CB . 25975 1 265 . 1 1 38 38 LEU CG C 13 27.568 . . . . . . A 427 LEU CG . 25975 1 266 . 1 1 38 38 LEU CD1 C 13 23.734 . . . . . . A 427 LEU CD1 . 25975 1 267 . 1 1 38 38 LEU CD2 C 13 22.820 . . . . . . A 427 LEU CD2 . 25975 1 268 . 1 1 38 38 LEU N N 15 121.403 . . . . . . A 427 LEU N . 25975 1 269 . 1 1 39 39 ASP H H 1 7.866 . . . . . . A 428 ASP H . 25975 1 270 . 1 1 39 39 ASP HA H 1 4.869 . . . . . . A 428 ASP HA . 25975 1 271 . 1 1 39 39 ASP HB2 H 1 3.143 . . . . . . A 428 ASP HB2 . 25975 1 272 . 1 1 39 39 ASP HB3 H 1 2.379 . . . . . . A 428 ASP HB3 . 25975 1 273 . 1 1 39 39 ASP C C 13 176.706 . . . . . . A 428 ASP C . 25975 1 274 . 1 1 39 39 ASP CA C 13 53.081 . . . . . . A 428 ASP CA . 25975 1 275 . 1 1 39 39 ASP CB C 13 44.915 . . . . . . A 428 ASP CB . 25975 1 276 . 1 1 39 39 ASP N N 15 129.184 . . . . . . A 428 ASP N . 25975 1 277 . 1 1 40 40 LYS H H 1 9.075 . . . . . . A 429 LYS H . 25975 1 278 . 1 1 40 40 LYS HA H 1 3.934 . . . . . . A 429 LYS HA . 25975 1 279 . 1 1 40 40 LYS HB2 H 1 1.852 . . . . . . A 429 LYS HB2 . 25975 1 280 . 1 1 40 40 LYS HB3 H 1 1.852 . . . . . . A 429 LYS HB3 . 25975 1 281 . 1 1 40 40 LYS HG2 H 1 1.506 . . . . . . A 429 LYS HG2 . 25975 1 282 . 1 1 40 40 LYS HG3 H 1 1.451 . . . . . . A 429 LYS HG3 . 25975 1 283 . 1 1 40 40 LYS HD2 H 1 1.705 . . . . . . A 429 LYS HD2 . 25975 1 284 . 1 1 40 40 LYS HD3 H 1 1.705 . . . . . . A 429 LYS HD3 . 25975 1 285 . 1 1 40 40 LYS HE2 H 1 3.019 . . . . . . A 429 LYS HE2 . 25975 1 286 . 1 1 40 40 LYS HE3 H 1 3.019 . . . . . . A 429 LYS HE3 . 25975 1 287 . 1 1 40 40 LYS C C 13 177.139 . . . . . . A 429 LYS C . 25975 1 288 . 1 1 40 40 LYS CA C 13 59.722 . . . . . . A 429 LYS CA . 25975 1 289 . 1 1 40 40 LYS CB C 13 32.136 . . . . . . A 429 LYS CB . 25975 1 290 . 1 1 40 40 LYS CG C 13 24.947 . . . . . . A 429 LYS CG . 25975 1 291 . 1 1 40 40 LYS CD C 13 29.234 . . . . . . A 429 LYS CD . 25975 1 292 . 1 1 40 40 LYS CE C 13 42.300 . . . . . . A 429 LYS CE . 25975 1 293 . 1 1 40 40 LYS N N 15 128.220 . . . . . . A 429 LYS N . 25975 1 294 . 1 1 41 41 GLY H H 1 8.404 . . . . . . A 430 GLY H . 25975 1 295 . 1 1 41 41 GLY HA2 H 1 4.197 . . . . . . A 430 GLY HA2 . 25975 1 296 . 1 1 41 41 GLY HA3 H 1 3.904 . . . . . . A 430 GLY HA3 . 25975 1 297 . 1 1 41 41 GLY C C 13 175.537 . . . . . . A 430 GLY C . 25975 1 298 . 1 1 41 41 GLY CA C 13 45.719 . . . . . . A 430 GLY CA . 25975 1 299 . 1 1 41 41 GLY N N 15 106.130 . . . . . . A 430 GLY N . 25975 1 300 . 1 1 42 42 ARG H H 1 8.565 . . . . . . A 431 ARG H . 25975 1 301 . 1 1 42 42 ARG HA H 1 4.473 . . . . . . A 431 ARG HA . 25975 1 302 . 1 1 42 42 ARG HB2 H 1 1.824 . . . . . . A 431 ARG HB2 . 25975 1 303 . 1 1 42 42 ARG HB3 H 1 1.824 . . . . . . A 431 ARG HB3 . 25975 1 304 . 1 1 42 42 ARG HG2 H 1 1.589 . . . . . . A 431 ARG HG2 . 25975 1 305 . 1 1 42 42 ARG HG3 H 1 1.509 . . . . . . A 431 ARG HG3 . 25975 1 306 . 1 1 42 42 ARG HD2 H 1 3.144 . . . . . . A 431 ARG HD2 . 25975 1 307 . 1 1 42 42 ARG HD3 H 1 3.144 . . . . . . A 431 ARG HD3 . 25975 1 308 . 1 1 42 42 ARG C C 13 176.815 . . . . . . A 431 ARG C . 25975 1 309 . 1 1 42 42 ARG CA C 13 56.791 . . . . . . A 431 ARG CA . 25975 1 310 . 1 1 42 42 ARG CB C 13 32.896 . . . . . . A 431 ARG CB . 25975 1 311 . 1 1 42 42 ARG N N 15 118.497 . . . . . . A 431 ARG N . 25975 1 312 . 1 1 43 43 GLY H H 1 8.430 . . . . . . A 432 GLY H . 25975 1 313 . 1 1 43 43 GLY HA2 H 1 4.451 . . . . . . A 432 GLY HA2 . 25975 1 314 . 1 1 43 43 GLY HA3 H 1 3.780 . . . . . . A 432 GLY HA3 . 25975 1 315 . 1 1 43 43 GLY C C 13 171.330 . . . . . . A 432 GLY C . 25975 1 316 . 1 1 43 43 GLY CA C 13 44.341 . . . . . . A 432 GLY CA . 25975 1 317 . 1 1 43 43 GLY N N 15 110.434 . . . . . . A 432 GLY N . 25975 1 318 . 1 1 44 44 PRO HA H 1 4.473 . . . . . . A 433 PRO HA . 25975 1 319 . 1 1 44 44 PRO HB2 H 1 1.741 . . . . . . A 433 PRO HB2 . 25975 1 320 . 1 1 44 44 PRO HB3 H 1 1.741 . . . . . . A 433 PRO HB3 . 25975 1 321 . 1 1 44 44 PRO HD2 H 1 3.786 . . . . . . A 433 PRO HD2 . 25975 1 322 . 1 1 44 44 PRO HD3 H 1 3.786 . . . . . . A 433 PRO HD3 . 25975 1 323 . 1 1 44 44 PRO C C 13 176.837 . . . . . . A 433 PRO C . 25975 1 324 . 1 1 44 44 PRO CA C 13 64.075 . . . . . . A 433 PRO CA . 25975 1 325 . 1 1 44 44 PRO CB C 13 32.588 . . . . . . A 433 PRO CB . 25975 1 326 . 1 1 45 45 VAL H H 1 9.393 . . . . . . A 434 VAL H . 25975 1 327 . 1 1 45 45 VAL HA H 1 4.847 . . . . . . A 434 VAL HA . 25975 1 328 . 1 1 45 45 VAL HB H 1 1.864 . . . . . . A 434 VAL HB . 25975 1 329 . 1 1 45 45 VAL HG11 H 1 0.823 . . . . . . A 434 VAL HG11 . 25975 1 330 . 1 1 45 45 VAL HG12 H 1 0.823 . . . . . . A 434 VAL HG12 . 25975 1 331 . 1 1 45 45 VAL HG13 H 1 0.823 . . . . . . A 434 VAL HG13 . 25975 1 332 . 1 1 45 45 VAL HG21 H 1 0.790 . . . . . . A 434 VAL HG21 . 25975 1 333 . 1 1 45 45 VAL HG22 H 1 0.790 . . . . . . A 434 VAL HG22 . 25975 1 334 . 1 1 45 45 VAL HG23 H 1 0.790 . . . . . . A 434 VAL HG23 . 25975 1 335 . 1 1 45 45 VAL C C 13 174.210 . . . . . . A 434 VAL C . 25975 1 336 . 1 1 45 45 VAL CA C 13 60.942 . . . . . . A 434 VAL CA . 25975 1 337 . 1 1 45 45 VAL CB C 13 35.629 . . . . . . A 434 VAL CB . 25975 1 338 . 1 1 45 45 VAL CG1 C 13 20.781 . . . . . . A 434 VAL CG1 . 25975 1 339 . 1 1 45 45 VAL CG2 C 13 21.997 . . . . . . A 434 VAL CG2 . 25975 1 340 . 1 1 45 45 VAL N N 15 125.536 . . . . . . A 434 VAL N . 25975 1 341 . 1 1 46 46 ALA H H 1 7.862 . . . . . . A 435 ALA H . 25975 1 342 . 1 1 46 46 ALA HA H 1 5.141 . . . . . . A 435 ALA HA . 25975 1 343 . 1 1 46 46 ALA HB1 H 1 1.100 . . . . . . A 435 ALA HB1 . 25975 1 344 . 1 1 46 46 ALA HB2 H 1 1.100 . . . . . . A 435 ALA HB2 . 25975 1 345 . 1 1 46 46 ALA HB3 H 1 1.100 . . . . . . A 435 ALA HB3 . 25975 1 346 . 1 1 46 46 ALA C C 13 175.185 . . . . . . A 435 ALA C . 25975 1 347 . 1 1 46 46 ALA CA C 13 50.583 . . . . . . A 435 ALA CA . 25975 1 348 . 1 1 46 46 ALA CB C 13 23.358 . . . . . . A 435 ALA CB . 25975 1 349 . 1 1 46 46 ALA N N 15 122.274 . . . . . . A 435 ALA N . 25975 1 350 . 1 1 47 47 THR H H 1 9.300 . . . . . . A 436 THR H . 25975 1 351 . 1 1 47 47 THR HA H 1 5.075 . . . . . . A 436 THR HA . 25975 1 352 . 1 1 47 47 THR HB H 1 3.990 . . . . . . A 436 THR HB . 25975 1 353 . 1 1 47 47 THR HG21 H 1 1.087 . . . . . . A 436 THR HG21 . 25975 1 354 . 1 1 47 47 THR HG22 H 1 1.087 . . . . . . A 436 THR HG22 . 25975 1 355 . 1 1 47 47 THR HG23 H 1 1.087 . . . . . . A 436 THR HG23 . 25975 1 356 . 1 1 47 47 THR C C 13 173.384 . . . . . . A 436 THR C . 25975 1 357 . 1 1 47 47 THR CA C 13 62.266 . . . . . . A 436 THR CA . 25975 1 358 . 1 1 47 47 THR CB C 13 68.601 . . . . . . A 436 THR CB . 25975 1 359 . 1 1 47 47 THR CG2 C 13 21.639 . . . . . . A 436 THR CG2 . 25975 1 360 . 1 1 47 47 THR N N 15 120.389 . . . . . . A 436 THR N . 25975 1 361 . 1 1 48 48 LEU H H 1 9.741 . . . . . . A 437 LEU H . 25975 1 362 . 1 1 48 48 LEU HA H 1 4.963 . . . . . . A 437 LEU HA . 25975 1 363 . 1 1 48 48 LEU HB2 H 1 1.236 . . . . . . A 437 LEU HB2 . 25975 1 364 . 1 1 48 48 LEU HB3 H 1 1.236 . . . . . . A 437 LEU HB3 . 25975 1 365 . 1 1 48 48 LEU HD11 H 1 0.285 . . . . . . A 437 LEU HD11 . 25975 1 366 . 1 1 48 48 LEU HD12 H 1 0.285 . . . . . . A 437 LEU HD12 . 25975 1 367 . 1 1 48 48 LEU HD13 H 1 0.285 . . . . . . A 437 LEU HD13 . 25975 1 368 . 1 1 48 48 LEU HD21 H 1 -0.058 . . . . . . A 437 LEU HD21 . 25975 1 369 . 1 1 48 48 LEU HD22 H 1 -0.058 . . . . . . A 437 LEU HD22 . 25975 1 370 . 1 1 48 48 LEU HD23 H 1 -0.058 . . . . . . A 437 LEU HD23 . 25975 1 371 . 1 1 48 48 LEU C C 13 174.427 . . . . . . A 437 LEU C . 25975 1 372 . 1 1 48 48 LEU CA C 13 53.254 . . . . . . A 437 LEU CA . 25975 1 373 . 1 1 48 48 LEU CB C 13 43.704 . . . . . . A 437 LEU CB . 25975 1 374 . 1 1 48 48 LEU CD1 C 13 24.381 . . . . . . A 437 LEU CD1 . 25975 1 375 . 1 1 48 48 LEU CD2 C 13 25.078 . . . . . . A 437 LEU CD2 . 25975 1 376 . 1 1 48 48 LEU N N 15 129.246 . . . . . . A 437 LEU N . 25975 1 377 . 1 1 49 49 LEU H H 1 9.071 . . . . . . A 438 LEU H . 25975 1 378 . 1 1 49 49 LEU HA H 1 4.498 . . . . . . A 438 LEU HA . 25975 1 379 . 1 1 49 49 LEU HB2 H 1 2.017 . . . . . . A 438 LEU HB2 . 25975 1 380 . 1 1 49 49 LEU HB3 H 1 1.225 . . . . . . A 438 LEU HB3 . 25975 1 381 . 1 1 49 49 LEU HG H 1 1.267 . . . . . . A 438 LEU HG . 25975 1 382 . 1 1 49 49 LEU HD11 H 1 0.890 . . . . . . A 438 LEU HD11 . 25975 1 383 . 1 1 49 49 LEU HD12 H 1 0.890 . . . . . . A 438 LEU HD12 . 25975 1 384 . 1 1 49 49 LEU HD13 H 1 0.890 . . . . . . A 438 LEU HD13 . 25975 1 385 . 1 1 49 49 LEU HD21 H 1 0.830 . . . . . . A 438 LEU HD21 . 25975 1 386 . 1 1 49 49 LEU HD22 H 1 0.830 . . . . . . A 438 LEU HD22 . 25975 1 387 . 1 1 49 49 LEU HD23 H 1 0.830 . . . . . . A 438 LEU HD23 . 25975 1 388 . 1 1 49 49 LEU C C 13 176.449 . . . . . . A 438 LEU C . 25975 1 389 . 1 1 49 49 LEU CA C 13 53.668 . . . . . . A 438 LEU CA . 25975 1 390 . 1 1 49 49 LEU CB C 13 44.206 . . . . . . A 438 LEU CB . 25975 1 391 . 1 1 49 49 LEU CD1 C 13 25.598 . . . . . . A 438 LEU CD1 . 25975 1 392 . 1 1 49 49 LEU CD2 C 13 22.924 . . . . . . A 438 LEU CD2 . 25975 1 393 . 1 1 49 49 LEU N N 15 121.565 . . . . . . A 438 LEU N . 25975 1 394 . 1 1 50 50 VAL H H 1 8.876 . . . . . . A 439 VAL H . 25975 1 395 . 1 1 50 50 VAL HA H 1 3.884 . . . . . . A 439 VAL HA . 25975 1 396 . 1 1 50 50 VAL HB H 1 2.174 . . . . . . A 439 VAL HB . 25975 1 397 . 1 1 50 50 VAL HG11 H 1 1.008 . . . . . . A 439 VAL HG11 . 25975 1 398 . 1 1 50 50 VAL HG12 H 1 1.008 . . . . . . A 439 VAL HG12 . 25975 1 399 . 1 1 50 50 VAL HG13 H 1 1.008 . . . . . . A 439 VAL HG13 . 25975 1 400 . 1 1 50 50 VAL HG21 H 1 0.839 . . . . . . A 439 VAL HG21 . 25975 1 401 . 1 1 50 50 VAL HG22 H 1 0.839 . . . . . . A 439 VAL HG22 . 25975 1 402 . 1 1 50 50 VAL HG23 H 1 0.839 . . . . . . A 439 VAL HG23 . 25975 1 403 . 1 1 50 50 VAL C C 13 176.014 . . . . . . A 439 VAL C . 25975 1 404 . 1 1 50 50 VAL CA C 13 64.536 . . . . . . A 439 VAL CA . 25975 1 405 . 1 1 50 50 VAL CB C 13 31.478 . . . . . . A 439 VAL CB . 25975 1 406 . 1 1 50 50 VAL CG1 C 13 22.103 . . . . . . A 439 VAL CG1 . 25975 1 407 . 1 1 50 50 VAL CG2 C 13 22.644 . . . . . . A 439 VAL CG2 . 25975 1 408 . 1 1 50 50 VAL N N 15 129.389 . . . . . . A 439 VAL N . 25975 1 409 . 1 1 51 51 GLN H H 1 9.668 . . . . . . A 440 GLN H . 25975 1 410 . 1 1 51 51 GLN HA H 1 4.563 . . . . . . A 440 GLN HA . 25975 1 411 . 1 1 51 51 GLN HB2 H 1 1.993 . . . . . . A 440 GLN HB2 . 25975 1 412 . 1 1 51 51 GLN HB3 H 1 1.993 . . . . . . A 440 GLN HB3 . 25975 1 413 . 1 1 51 51 GLN HG2 H 1 2.376 . . . . . . A 440 GLN HG2 . 25975 1 414 . 1 1 51 51 GLN HG3 H 1 2.376 . . . . . . A 440 GLN HG3 . 25975 1 415 . 1 1 51 51 GLN C C 13 175.808 . . . . . . A 440 GLN C . 25975 1 416 . 1 1 51 51 GLN CA C 13 56.943 . . . . . . A 440 GLN CA . 25975 1 417 . 1 1 51 51 GLN CB C 13 30.785 . . . . . . A 440 GLN CB . 25975 1 418 . 1 1 51 51 GLN CG C 13 34.596 . . . . . . A 440 GLN CG . 25975 1 419 . 1 1 51 51 GLN N N 15 127.140 . . . . . . A 440 GLN N . 25975 1 420 . 1 1 52 52 ALA H H 1 7.953 . . . . . . A 441 ALA H . 25975 1 421 . 1 1 52 52 ALA HA H 1 4.457 . . . . . . A 441 ALA HA . 25975 1 422 . 1 1 52 52 ALA HB1 H 1 1.366 . . . . . . A 441 ALA HB1 . 25975 1 423 . 1 1 52 52 ALA HB2 H 1 1.366 . . . . . . A 441 ALA HB2 . 25975 1 424 . 1 1 52 52 ALA HB3 H 1 1.366 . . . . . . A 441 ALA HB3 . 25975 1 425 . 1 1 52 52 ALA C C 13 175.327 . . . . . . A 441 ALA C . 25975 1 426 . 1 1 52 52 ALA CA C 13 52.156 . . . . . . A 441 ALA CA . 25975 1 427 . 1 1 52 52 ALA CB C 13 22.033 . . . . . . A 441 ALA CB . 25975 1 428 . 1 1 52 52 ALA N N 15 121.269 . . . . . . A 441 ALA N . 25975 1 429 . 1 1 53 53 GLY H H 1 8.432 . . . . . . A 442 GLY H . 25975 1 430 . 1 1 53 53 GLY HA2 H 1 4.291 . . . . . . A 442 GLY HA2 . 25975 1 431 . 1 1 53 53 GLY HA3 H 1 3.667 . . . . . . A 442 GLY HA3 . 25975 1 432 . 1 1 53 53 GLY C C 13 171.699 . . . . . . A 442 GLY C . 25975 1 433 . 1 1 53 53 GLY CA C 13 44.880 . . . . . . A 442 GLY CA . 25975 1 434 . 1 1 53 53 GLY N N 15 107.036 . . . . . . A 442 GLY N . 25975 1 435 . 1 1 54 54 THR H H 1 7.749 . . . . . . A 443 THR H . 25975 1 436 . 1 1 54 54 THR HA H 1 5.415 . . . . . . A 443 THR HA . 25975 1 437 . 1 1 54 54 THR HB H 1 3.875 . . . . . . A 443 THR HB . 25975 1 438 . 1 1 54 54 THR HG21 H 1 1.112 . . . . . . A 443 THR HG21 . 25975 1 439 . 1 1 54 54 THR HG22 H 1 1.112 . . . . . . A 443 THR HG22 . 25975 1 440 . 1 1 54 54 THR HG23 H 1 1.112 . . . . . . A 443 THR HG23 . 25975 1 441 . 1 1 54 54 THR C C 13 173.088 . . . . . . A 443 THR C . 25975 1 442 . 1 1 54 54 THR CA C 13 61.276 . . . . . . A 443 THR CA . 25975 1 443 . 1 1 54 54 THR CB C 13 72.206 . . . . . . A 443 THR CB . 25975 1 444 . 1 1 54 54 THR N N 15 110.749 . . . . . . A 443 THR N . 25975 1 445 . 1 1 55 55 LEU H H 1 9.181 . . . . . . A 444 LEU H . 25975 1 446 . 1 1 55 55 LEU HA H 1 4.547 . . . . . . A 444 LEU HA . 25975 1 447 . 1 1 55 55 LEU HB2 H 1 1.818 . . . . . . A 444 LEU HB2 . 25975 1 448 . 1 1 55 55 LEU HB3 H 1 1.103 . . . . . . A 444 LEU HB3 . 25975 1 449 . 1 1 55 55 LEU HG H 1 1.429 . . . . . . A 444 LEU HG . 25975 1 450 . 1 1 55 55 LEU HD11 H 1 0.923 . . . . . . A 444 LEU HD11 . 25975 1 451 . 1 1 55 55 LEU HD12 H 1 0.923 . . . . . . A 444 LEU HD12 . 25975 1 452 . 1 1 55 55 LEU HD13 H 1 0.923 . . . . . . A 444 LEU HD13 . 25975 1 453 . 1 1 55 55 LEU HD21 H 1 0.475 . . . . . . A 444 LEU HD21 . 25975 1 454 . 1 1 55 55 LEU HD22 H 1 0.475 . . . . . . A 444 LEU HD22 . 25975 1 455 . 1 1 55 55 LEU HD23 H 1 0.475 . . . . . . A 444 LEU HD23 . 25975 1 456 . 1 1 55 55 LEU C C 13 174.350 . . . . . . A 444 LEU C . 25975 1 457 . 1 1 55 55 LEU CA C 13 53.849 . . . . . . A 444 LEU CA . 25975 1 458 . 1 1 55 55 LEU CB C 13 46.043 . . . . . . A 444 LEU CB . 25975 1 459 . 1 1 55 55 LEU CG C 13 27.218 . . . . . . A 444 LEU CG . 25975 1 460 . 1 1 55 55 LEU CD1 C 13 24.427 . . . . . . A 444 LEU CD1 . 25975 1 461 . 1 1 55 55 LEU CD2 C 13 26.766 . . . . . . A 444 LEU CD2 . 25975 1 462 . 1 1 55 55 LEU N N 15 130.790 . . . . . . A 444 LEU N . 25975 1 463 . 1 1 56 56 LYS H H 1 9.093 . . . . . . A 445 LYS H . 25975 1 464 . 1 1 56 56 LYS HA H 1 5.111 . . . . . . A 445 LYS HA . 25975 1 465 . 1 1 56 56 LYS HB2 H 1 1.839 . . . . . . A 445 LYS HB2 . 25975 1 466 . 1 1 56 56 LYS HB3 H 1 1.839 . . . . . . A 445 LYS HB3 . 25975 1 467 . 1 1 56 56 LYS HG2 H 1 1.418 . . . . . . A 445 LYS HG2 . 25975 1 468 . 1 1 56 56 LYS HG3 H 1 1.418 . . . . . . A 445 LYS HG3 . 25975 1 469 . 1 1 56 56 LYS HE2 H 1 2.992 . . . . . . A 445 LYS HE2 . 25975 1 470 . 1 1 56 56 LYS HE3 H 1 2.992 . . . . . . A 445 LYS HE3 . 25975 1 471 . 1 1 56 56 LYS C C 13 176.354 . . . . . . A 445 LYS C . 25975 1 472 . 1 1 56 56 LYS CA C 13 55.145 . . . . . . A 445 LYS CA . 25975 1 473 . 1 1 56 56 LYS CB C 13 35.861 . . . . . . A 445 LYS CB . 25975 1 474 . 1 1 56 56 LYS CG C 13 25.381 . . . . . . A 445 LYS CG . 25975 1 475 . 1 1 56 56 LYS N N 15 125.446 . . . . . . A 445 LYS N . 25975 1 476 . 1 1 57 57 VAL H H 1 7.610 . . . . . . A 446 VAL H . 25975 1 477 . 1 1 57 57 VAL HA H 1 3.399 . . . . . . A 446 VAL HA . 25975 1 478 . 1 1 57 57 VAL HB H 1 1.996 . . . . . . A 446 VAL HB . 25975 1 479 . 1 1 57 57 VAL HG11 H 1 1.115 . . . . . . A 446 VAL HG11 . 25975 1 480 . 1 1 57 57 VAL HG12 H 1 1.115 . . . . . . A 446 VAL HG12 . 25975 1 481 . 1 1 57 57 VAL HG13 H 1 1.115 . . . . . . A 446 VAL HG13 . 25975 1 482 . 1 1 57 57 VAL HG21 H 1 0.991 . . . . . . A 446 VAL HG21 . 25975 1 483 . 1 1 57 57 VAL HG22 H 1 0.991 . . . . . . A 446 VAL HG22 . 25975 1 484 . 1 1 57 57 VAL HG23 H 1 0.991 . . . . . . A 446 VAL HG23 . 25975 1 485 . 1 1 57 57 VAL C C 13 176.855 . . . . . . A 446 VAL C . 25975 1 486 . 1 1 57 57 VAL CA C 13 65.721 . . . . . . A 446 VAL CA . 25975 1 487 . 1 1 57 57 VAL CB C 13 31.829 . . . . . . A 446 VAL CB . 25975 1 488 . 1 1 57 57 VAL CG1 C 13 23.723 . . . . . . A 446 VAL CG1 . 25975 1 489 . 1 1 57 57 VAL CG2 C 13 21.419 . . . . . . A 446 VAL CG2 . 25975 1 490 . 1 1 57 57 VAL N N 15 119.855 . . . . . . A 446 VAL N . 25975 1 491 . 1 1 58 58 GLY H H 1 9.215 . . . . . . A 447 GLY H . 25975 1 492 . 1 1 58 58 GLY HA2 H 1 4.529 . . . . . . A 447 GLY HA2 . 25975 1 493 . 1 1 58 58 GLY HA3 H 1 3.628 . . . . . . A 447 GLY HA3 . 25975 1 494 . 1 1 58 58 GLY C C 13 174.492 . . . . . . A 447 GLY C . 25975 1 495 . 1 1 58 58 GLY CA C 13 44.692 . . . . . . A 447 GLY CA . 25975 1 496 . 1 1 58 58 GLY N N 15 116.956 . . . . . . A 447 GLY N . 25975 1 497 . 1 1 59 59 ASP H H 1 8.114 . . . . . . A 448 ASP H . 25975 1 498 . 1 1 59 59 ASP HA H 1 4.990 . . . . . . A 448 ASP HA . 25975 1 499 . 1 1 59 59 ASP C C 13 174.800 . . . . . . A 448 ASP C . 25975 1 500 . 1 1 59 59 ASP CA C 13 53.729 . . . . . . A 448 ASP CA . 25975 1 501 . 1 1 59 59 ASP CB C 13 40.529 . . . . . . A 448 ASP CB . 25975 1 502 . 1 1 59 59 ASP N N 15 123.061 . . . . . . A 448 ASP N . 25975 1 503 . 1 1 60 60 PRO HA H 1 5.053 . . . . . . A 449 PRO HA . 25975 1 504 . 1 1 60 60 PRO HB2 H 1 2.059 . . . . . . A 449 PRO HB2 . 25975 1 505 . 1 1 60 60 PRO HB3 H 1 2.059 . . . . . . A 449 PRO HB3 . 25975 1 506 . 1 1 60 60 PRO HD2 H 1 3.883 . . . . . . A 449 PRO HD2 . 25975 1 507 . 1 1 60 60 PRO HD3 H 1 3.721 . . . . . . A 449 PRO HD3 . 25975 1 508 . 1 1 60 60 PRO C C 13 175.965 . . . . . . A 449 PRO C . 25975 1 509 . 1 1 60 60 PRO CA C 13 62.189 . . . . . . A 449 PRO CA . 25975 1 510 . 1 1 60 60 PRO CB C 13 31.562 . . . . . . A 449 PRO CB . 25975 1 511 . 1 1 60 60 PRO CD C 13 50.795 . . . . . . A 449 PRO CD . 25975 1 512 . 1 1 61 61 ILE H H 1 8.655 . . . . . . A 450 ILE H . 25975 1 513 . 1 1 61 61 ILE HA H 1 5.297 . . . . . . A 450 ILE HA . 25975 1 514 . 1 1 61 61 ILE HB H 1 1.488 . . . . . . A 450 ILE HB . 25975 1 515 . 1 1 61 61 ILE HG12 H 1 1.390 . . . . . . A 450 ILE HG12 . 25975 1 516 . 1 1 61 61 ILE HG13 H 1 0.844 . . . . . . A 450 ILE HG13 . 25975 1 517 . 1 1 61 61 ILE HG21 H 1 0.578 . . . . . . A 450 ILE HG21 . 25975 1 518 . 1 1 61 61 ILE HG22 H 1 0.578 . . . . . . A 450 ILE HG22 . 25975 1 519 . 1 1 61 61 ILE HG23 H 1 0.578 . . . . . . A 450 ILE HG23 . 25975 1 520 . 1 1 61 61 ILE HD11 H 1 0.253 . . . . . . A 450 ILE HD11 . 25975 1 521 . 1 1 61 61 ILE HD12 H 1 0.253 . . . . . . A 450 ILE HD12 . 25975 1 522 . 1 1 61 61 ILE HD13 H 1 0.253 . . . . . . A 450 ILE HD13 . 25975 1 523 . 1 1 61 61 ILE C C 13 173.654 . . . . . . A 450 ILE C . 25975 1 524 . 1 1 61 61 ILE CA C 13 59.550 . . . . . . A 450 ILE CA . 25975 1 525 . 1 1 61 61 ILE CB C 13 43.329 . . . . . . A 450 ILE CB . 25975 1 526 . 1 1 61 61 ILE CG1 C 13 27.089 . . . . . . A 450 ILE CG1 . 25975 1 527 . 1 1 61 61 ILE CG2 C 13 16.293 . . . . . . A 450 ILE CG2 . 25975 1 528 . 1 1 61 61 ILE CD1 C 13 14.376 . . . . . . A 450 ILE CD1 . 25975 1 529 . 1 1 61 61 ILE N N 15 119.436 . . . . . . A 450 ILE N . 25975 1 530 . 1 1 62 62 VAL H H 1 8.634 . . . . . . A 451 VAL H . 25975 1 531 . 1 1 62 62 VAL HA H 1 4.667 . . . . . . A 451 VAL HA . 25975 1 532 . 1 1 62 62 VAL HB H 1 2.159 . . . . . . A 451 VAL HB . 25975 1 533 . 1 1 62 62 VAL HG11 H 1 1.103 . . . . . . A 451 VAL HG11 . 25975 1 534 . 1 1 62 62 VAL HG12 H 1 1.103 . . . . . . A 451 VAL HG12 . 25975 1 535 . 1 1 62 62 VAL HG13 H 1 1.103 . . . . . . A 451 VAL HG13 . 25975 1 536 . 1 1 62 62 VAL C C 13 175.310 . . . . . . A 451 VAL C . 25975 1 537 . 1 1 62 62 VAL CA C 13 61.888 . . . . . . A 451 VAL CA . 25975 1 538 . 1 1 62 62 VAL CB C 13 34.196 . . . . . . A 451 VAL CB . 25975 1 539 . 1 1 62 62 VAL CG1 C 13 21.467 . . . . . . A 451 VAL CG1 . 25975 1 540 . 1 1 62 62 VAL N N 15 124.081 . . . . . . A 451 VAL N . 25975 1 541 . 1 1 63 63 VAL H H 1 8.188 . . . . . . A 452 VAL H . 25975 1 542 . 1 1 63 63 VAL HA H 1 4.892 . . . . . . A 452 VAL HA . 25975 1 543 . 1 1 63 63 VAL HB H 1 1.955 . . . . . . A 452 VAL HB . 25975 1 544 . 1 1 63 63 VAL HG11 H 1 0.762 . . . . . . A 452 VAL HG11 . 25975 1 545 . 1 1 63 63 VAL HG12 H 1 0.762 . . . . . . A 452 VAL HG12 . 25975 1 546 . 1 1 63 63 VAL HG13 H 1 0.762 . . . . . . A 452 VAL HG13 . 25975 1 547 . 1 1 63 63 VAL C C 13 174.357 . . . . . . A 452 VAL C . 25975 1 548 . 1 1 63 63 VAL CA C 13 59.552 . . . . . . A 452 VAL CA . 25975 1 549 . 1 1 63 63 VAL CB C 13 33.000 . . . . . . A 452 VAL CB . 25975 1 550 . 1 1 63 63 VAL CG1 C 13 21.930 . . . . . . A 452 VAL CG1 . 25975 1 551 . 1 1 63 63 VAL N N 15 124.711 . . . . . . A 452 VAL N . 25975 1 552 . 1 1 64 64 GLY H H 1 8.624 . . . . . . A 453 GLY H . 25975 1 553 . 1 1 64 64 GLY HA2 H 1 4.199 . . . . . . A 453 GLY HA2 . 25975 1 554 . 1 1 64 64 GLY HA3 H 1 3.891 . . . . . . A 453 GLY HA3 . 25975 1 555 . 1 1 64 64 GLY C C 13 175.882 . . . . . . A 453 GLY C . 25975 1 556 . 1 1 64 64 GLY CA C 13 47.190 . . . . . . A 453 GLY CA . 25975 1 557 . 1 1 64 64 GLY N N 15 115.346 . . . . . . A 453 GLY N . 25975 1 558 . 1 1 65 65 THR H H 1 9.178 . . . . . . A 454 THR H . 25975 1 559 . 1 1 65 65 THR HA H 1 4.542 . . . . . . A 454 THR HA . 25975 1 560 . 1 1 65 65 THR HB H 1 4.707 . . . . . . A 454 THR HB . 25975 1 561 . 1 1 65 65 THR HG21 H 1 1.267 . . . . . . A 454 THR HG21 . 25975 1 562 . 1 1 65 65 THR HG22 H 1 1.267 . . . . . . A 454 THR HG22 . 25975 1 563 . 1 1 65 65 THR HG23 H 1 1.267 . . . . . . A 454 THR HG23 . 25975 1 564 . 1 1 65 65 THR C C 13 174.449 . . . . . . A 454 THR C . 25975 1 565 . 1 1 65 65 THR CA C 13 61.494 . . . . . . A 454 THR CA . 25975 1 566 . 1 1 65 65 THR CB C 13 69.003 . . . . . . A 454 THR CB . 25975 1 567 . 1 1 65 65 THR CG2 C 13 21.454 . . . . . . A 454 THR CG2 . 25975 1 568 . 1 1 65 65 THR N N 15 118.350 . . . . . . A 454 THR N . 25975 1 569 . 1 1 66 66 THR H H 1 8.861 . . . . . . A 455 THR H . 25975 1 570 . 1 1 66 66 THR HA H 1 5.069 . . . . . . A 455 THR HA . 25975 1 571 . 1 1 66 66 THR HB H 1 4.099 . . . . . . A 455 THR HB . 25975 1 572 . 1 1 66 66 THR HG21 H 1 1.232 . . . . . . A 455 THR HG21 . 25975 1 573 . 1 1 66 66 THR HG22 H 1 1.232 . . . . . . A 455 THR HG22 . 25975 1 574 . 1 1 66 66 THR HG23 H 1 1.232 . . . . . . A 455 THR HG23 . 25975 1 575 . 1 1 66 66 THR C C 13 172.905 . . . . . . A 455 THR C . 25975 1 576 . 1 1 66 66 THR CA C 13 60.249 . . . . . . A 455 THR CA . 25975 1 577 . 1 1 66 66 THR CB C 13 70.321 . . . . . . A 455 THR CB . 25975 1 578 . 1 1 66 66 THR CG2 C 13 19.184 . . . . . . A 455 THR CG2 . 25975 1 579 . 1 1 66 66 THR N N 15 118.515 . . . . . . A 455 THR N . 25975 1 580 . 1 1 67 67 TYR H H 1 8.963 . . . . . . A 456 TYR H . 25975 1 581 . 1 1 67 67 TYR HA H 1 5.469 . . . . . . A 456 TYR HA . 25975 1 582 . 1 1 67 67 TYR HB2 H 1 3.281 . . . . . . A 456 TYR HB2 . 25975 1 583 . 1 1 67 67 TYR HB3 H 1 3.281 . . . . . . A 456 TYR HB3 . 25975 1 584 . 1 1 67 67 TYR HD1 H 1 7.011 . . . . . . A 456 TYR HD1 . 25975 1 585 . 1 1 67 67 TYR HD2 H 1 7.011 . . . . . . A 456 TYR HD2 . 25975 1 586 . 1 1 67 67 TYR C C 13 173.540 . . . . . . A 456 TYR C . 25975 1 587 . 1 1 67 67 TYR CA C 13 56.060 . . . . . . A 456 TYR CA . 25975 1 588 . 1 1 67 67 TYR CB C 13 40.429 . . . . . . A 456 TYR CB . 25975 1 589 . 1 1 67 67 TYR N N 15 118.020 . . . . . . A 456 TYR N . 25975 1 590 . 1 1 68 68 GLY H H 1 8.628 . . . . . . A 457 GLY H . 25975 1 591 . 1 1 68 68 GLY HA2 H 1 4.440 . . . . . . A 457 GLY HA2 . 25975 1 592 . 1 1 68 68 GLY HA3 H 1 4.107 . . . . . . A 457 GLY HA3 . 25975 1 593 . 1 1 68 68 GLY C C 13 171.432 . . . . . . A 457 GLY C . 25975 1 594 . 1 1 68 68 GLY CA C 13 45.962 . . . . . . A 457 GLY CA . 25975 1 595 . 1 1 68 68 GLY N N 15 105.066 . . . . . . A 457 GLY N . 25975 1 596 . 1 1 69 69 ARG H H 1 7.718 . . . . . . A 458 ARG H . 25975 1 597 . 1 1 69 69 ARG HA H 1 5.177 . . . . . . A 458 ARG HA . 25975 1 598 . 1 1 69 69 ARG HB2 H 1 1.753 . . . . . . A 458 ARG HB2 . 25975 1 599 . 1 1 69 69 ARG HB3 H 1 1.753 . . . . . . A 458 ARG HB3 . 25975 1 600 . 1 1 69 69 ARG HG2 H 1 1.537 . . . . . . A 458 ARG HG2 . 25975 1 601 . 1 1 69 69 ARG HG3 H 1 1.537 . . . . . . A 458 ARG HG3 . 25975 1 602 . 1 1 69 69 ARG HD2 H 1 3.266 . . . . . . A 458 ARG HD2 . 25975 1 603 . 1 1 69 69 ARG HD3 H 1 3.266 . . . . . . A 458 ARG HD3 . 25975 1 604 . 1 1 69 69 ARG C C 13 175.536 . . . . . . A 458 ARG C . 25975 1 605 . 1 1 69 69 ARG CA C 13 54.985 . . . . . . A 458 ARG CA . 25975 1 606 . 1 1 69 69 ARG CB C 13 32.991 . . . . . . A 458 ARG CB . 25975 1 607 . 1 1 69 69 ARG CG C 13 33.126 . . . . . . A 458 ARG CG . 25975 1 608 . 1 1 69 69 ARG N N 15 122.757 . . . . . . A 458 ARG N . 25975 1 609 . 1 1 70 70 VAL H H 1 8.537 . . . . . . A 459 VAL H . 25975 1 610 . 1 1 70 70 VAL HA H 1 3.794 . . . . . . A 459 VAL HA . 25975 1 611 . 1 1 70 70 VAL HB H 1 2.322 . . . . . . A 459 VAL HB . 25975 1 612 . 1 1 70 70 VAL HG11 H 1 0.988 . . . . . . A 459 VAL HG11 . 25975 1 613 . 1 1 70 70 VAL HG12 H 1 0.988 . . . . . . A 459 VAL HG12 . 25975 1 614 . 1 1 70 70 VAL HG13 H 1 0.988 . . . . . . A 459 VAL HG13 . 25975 1 615 . 1 1 70 70 VAL HG21 H 1 0.954 . . . . . . A 459 VAL HG21 . 25975 1 616 . 1 1 70 70 VAL HG22 H 1 0.954 . . . . . . A 459 VAL HG22 . 25975 1 617 . 1 1 70 70 VAL HG23 H 1 0.954 . . . . . . A 459 VAL HG23 . 25975 1 618 . 1 1 70 70 VAL C C 13 177.039 . . . . . . A 459 VAL C . 25975 1 619 . 1 1 70 70 VAL CA C 13 64.846 . . . . . . A 459 VAL CA . 25975 1 620 . 1 1 70 70 VAL CB C 13 31.687 . . . . . . A 459 VAL CB . 25975 1 621 . 1 1 70 70 VAL CG1 C 13 21.634 . . . . . . A 459 VAL CG1 . 25975 1 622 . 1 1 70 70 VAL CG2 C 13 21.971 . . . . . . A 459 VAL CG2 . 25975 1 623 . 1 1 70 70 VAL N N 15 122.971 . . . . . . A 459 VAL N . 25975 1 624 . 1 1 71 71 ARG H H 1 8.795 . . . . . . A 460 ARG H . 25975 1 625 . 1 1 71 71 ARG HA H 1 4.406 . . . . . . A 460 ARG HA . 25975 1 626 . 1 1 71 71 ARG HB2 H 1 1.830 . . . . . . A 460 ARG HB2 . 25975 1 627 . 1 1 71 71 ARG HB3 H 1 1.830 . . . . . . A 460 ARG HB3 . 25975 1 628 . 1 1 71 71 ARG HD2 H 1 3.171 . . . . . . A 460 ARG HD2 . 25975 1 629 . 1 1 71 71 ARG HD3 H 1 3.171 . . . . . . A 460 ARG HD3 . 25975 1 630 . 1 1 71 71 ARG C C 13 175.346 . . . . . . A 460 ARG C . 25975 1 631 . 1 1 71 71 ARG CA C 13 57.357 . . . . . . A 460 ARG CA . 25975 1 632 . 1 1 71 71 ARG CB C 13 30.860 . . . . . . A 460 ARG CB . 25975 1 633 . 1 1 71 71 ARG CD C 13 43.794 . . . . . . A 460 ARG CD . 25975 1 634 . 1 1 71 71 ARG N N 15 132.495 . . . . . . A 460 ARG N . 25975 1 635 . 1 1 72 72 ALA H H 1 7.486 . . . . . . A 461 ALA H . 25975 1 636 . 1 1 72 72 ALA HA H 1 4.442 . . . . . . A 461 ALA HA . 25975 1 637 . 1 1 72 72 ALA HB1 H 1 1.349 . . . . . . A 461 ALA HB1 . 25975 1 638 . 1 1 72 72 ALA HB2 H 1 1.349 . . . . . . A 461 ALA HB2 . 25975 1 639 . 1 1 72 72 ALA HB3 H 1 1.349 . . . . . . A 461 ALA HB3 . 25975 1 640 . 1 1 72 72 ALA C C 13 174.955 . . . . . . A 461 ALA C . 25975 1 641 . 1 1 72 72 ALA CA C 13 51.575 . . . . . . A 461 ALA CA . 25975 1 642 . 1 1 72 72 ALA CB C 13 21.596 . . . . . . A 461 ALA CB . 25975 1 643 . 1 1 72 72 ALA N N 15 119.625 . . . . . . A 461 ALA N . 25975 1 644 . 1 1 73 73 MET H H 1 8.608 . . . . . . A 462 MET H . 25975 1 645 . 1 1 73 73 MET HA H 1 5.278 . . . . . . A 462 MET HA . 25975 1 646 . 1 1 73 73 MET HB2 H 1 1.929 . . . . . . A 462 MET HB2 . 25975 1 647 . 1 1 73 73 MET HB3 H 1 1.736 . . . . . . A 462 MET HB3 . 25975 1 648 . 1 1 73 73 MET HG2 H 1 2.026 . . . . . . A 462 MET HG2 . 25975 1 649 . 1 1 73 73 MET HG3 H 1 2.026 . . . . . . A 462 MET HG3 . 25975 1 650 . 1 1 73 73 MET HE1 H 1 1.711 . . . . . . A 462 MET HE1 . 25975 1 651 . 1 1 73 73 MET HE2 H 1 1.711 . . . . . . A 462 MET HE2 . 25975 1 652 . 1 1 73 73 MET HE3 H 1 1.711 . . . . . . A 462 MET HE3 . 25975 1 653 . 1 1 73 73 MET C C 13 174.393 . . . . . . A 462 MET C . 25975 1 654 . 1 1 73 73 MET CA C 13 55.208 . . . . . . A 462 MET CA . 25975 1 655 . 1 1 73 73 MET CB C 13 37.847 . . . . . . A 462 MET CB . 25975 1 656 . 1 1 73 73 MET CG C 13 32.116 . . . . . . A 462 MET CG . 25975 1 657 . 1 1 73 73 MET CE C 13 16.647 . . . . . . A 462 MET CE . 25975 1 658 . 1 1 73 73 MET N N 15 118.846 . . . . . . A 462 MET N . 25975 1 659 . 1 1 74 74 VAL H H 1 8.768 . . . . . . A 463 VAL H . 25975 1 660 . 1 1 74 74 VAL HA H 1 4.975 . . . . . . A 463 VAL HA . 25975 1 661 . 1 1 74 74 VAL HB H 1 1.883 . . . . . . A 463 VAL HB . 25975 1 662 . 1 1 74 74 VAL HG11 H 1 0.931 . . . . . . A 463 VAL HG11 . 25975 1 663 . 1 1 74 74 VAL HG12 H 1 0.931 . . . . . . A 463 VAL HG12 . 25975 1 664 . 1 1 74 74 VAL HG13 H 1 0.931 . . . . . . A 463 VAL HG13 . 25975 1 665 . 1 1 74 74 VAL HG21 H 1 0.871 . . . . . . A 463 VAL HG21 . 25975 1 666 . 1 1 74 74 VAL HG22 H 1 0.871 . . . . . . A 463 VAL HG22 . 25975 1 667 . 1 1 74 74 VAL HG23 H 1 0.871 . . . . . . A 463 VAL HG23 . 25975 1 668 . 1 1 74 74 VAL C C 13 175.852 . . . . . . A 463 VAL C . 25975 1 669 . 1 1 74 74 VAL CA C 13 60.262 . . . . . . A 463 VAL CA . 25975 1 670 . 1 1 74 74 VAL CB C 13 35.492 . . . . . . A 463 VAL CB . 25975 1 671 . 1 1 74 74 VAL CG1 C 13 21.242 . . . . . . A 463 VAL CG1 . 25975 1 672 . 1 1 74 74 VAL CG2 C 13 20.898 . . . . . . A 463 VAL CG2 . 25975 1 673 . 1 1 74 74 VAL N N 15 121.950 . . . . . . A 463 VAL N . 25975 1 674 . 1 1 75 75 ASN H H 1 8.765 . . . . . . A 464 ASN H . 25975 1 675 . 1 1 75 75 ASN HA H 1 5.032 . . . . . . A 464 ASN HA . 25975 1 676 . 1 1 75 75 ASN HB2 H 1 3.955 . . . . . . A 464 ASN HB2 . 25975 1 677 . 1 1 75 75 ASN HB3 H 1 2.749 . . . . . . A 464 ASN HB3 . 25975 1 678 . 1 1 75 75 ASN HD21 H 1 6.910 . . . . . . A 464 ASN HD21 . 25975 1 679 . 1 1 75 75 ASN HD22 H 1 7.622 . . . . . . A 464 ASN HD22 . 25975 1 680 . 1 1 75 75 ASN C C 13 176.659 . . . . . . A 464 ASN C . 25975 1 681 . 1 1 75 75 ASN CA C 13 51.436 . . . . . . A 464 ASN CA . 25975 1 682 . 1 1 75 75 ASN CB C 13 39.095 . . . . . . A 464 ASN CB . 25975 1 683 . 1 1 75 75 ASN N N 15 123.438 . . . . . . A 464 ASN N . 25975 1 684 . 1 1 75 75 ASN ND2 N 15 111.124 . . . . . . A 464 ASN ND2 . 25975 1 685 . 1 1 76 76 ASP H H 1 9.043 . . . . . . A 465 ASP H . 25975 1 686 . 1 1 76 76 ASP HA H 1 4.395 . . . . . . A 465 ASP HA . 25975 1 687 . 1 1 76 76 ASP HB2 H 1 2.966 . . . . . . A 465 ASP HB2 . 25975 1 688 . 1 1 76 76 ASP HB3 H 1 2.749 . . . . . . A 465 ASP HB3 . 25975 1 689 . 1 1 76 76 ASP C C 13 177.198 . . . . . . A 465 ASP C . 25975 1 690 . 1 1 76 76 ASP CA C 13 56.335 . . . . . . A 465 ASP CA . 25975 1 691 . 1 1 76 76 ASP CB C 13 39.901 . . . . . . A 465 ASP CB . 25975 1 692 . 1 1 76 76 ASP N N 15 117.873 . . . . . . A 465 ASP N . 25975 1 693 . 1 1 77 77 SER H H 1 7.811 . . . . . . A 466 SER H . 25975 1 694 . 1 1 77 77 SER HA H 1 4.703 . . . . . . A 466 SER HA . 25975 1 695 . 1 1 77 77 SER HB2 H 1 4.020 . . . . . . A 466 SER HB2 . 25975 1 696 . 1 1 77 77 SER HB3 H 1 3.969 . . . . . . A 466 SER HB3 . 25975 1 697 . 1 1 77 77 SER C C 13 174.942 . . . . . . A 466 SER C . 25975 1 698 . 1 1 77 77 SER CA C 13 58.281 . . . . . . A 466 SER CA . 25975 1 699 . 1 1 77 77 SER CB C 13 63.943 . . . . . . A 466 SER CB . 25975 1 700 . 1 1 77 77 SER N N 15 114.151 . . . . . . A 466 SER N . 25975 1 701 . 1 1 78 78 GLY H H 1 8.317 . . . . . . A 467 GLY H . 25975 1 702 . 1 1 78 78 GLY HA2 H 1 4.213 . . . . . . A 467 GLY HA2 . 25975 1 703 . 1 1 78 78 GLY HA3 H 1 3.576 . . . . . . A 467 GLY HA3 . 25975 1 704 . 1 1 78 78 GLY C C 13 174.075 . . . . . . A 467 GLY C . 25975 1 705 . 1 1 78 78 GLY CA C 13 45.700 . . . . . . A 467 GLY CA . 25975 1 706 . 1 1 78 78 GLY N N 15 109.342 . . . . . . A 467 GLY N . 25975 1 707 . 1 1 79 79 ARG H H 1 7.861 . . . . . . A 468 ARG H . 25975 1 708 . 1 1 79 79 ARG HA H 1 4.461 . . . . . . A 468 ARG HA . 25975 1 709 . 1 1 79 79 ARG HB2 H 1 1.808 . . . . . . A 468 ARG HB2 . 25975 1 710 . 1 1 79 79 ARG HB3 H 1 1.669 . . . . . . A 468 ARG HB3 . 25975 1 711 . 1 1 79 79 ARG HD2 H 1 3.212 . . . . . . A 468 ARG HD2 . 25975 1 712 . 1 1 79 79 ARG HD3 H 1 3.212 . . . . . . A 468 ARG HD3 . 25975 1 713 . 1 1 79 79 ARG C C 13 175.624 . . . . . . A 468 ARG C . 25975 1 714 . 1 1 79 79 ARG CA C 13 55.003 . . . . . . A 468 ARG CA . 25975 1 715 . 1 1 79 79 ARG CB C 13 31.231 . . . . . . A 468 ARG CB . 25975 1 716 . 1 1 79 79 ARG CD C 13 43.746 . . . . . . A 468 ARG CD . 25975 1 717 . 1 1 79 79 ARG N N 15 120.971 . . . . . . A 468 ARG N . 25975 1 718 . 1 1 80 80 ARG H H 1 8.631 . . . . . . A 469 ARG H . 25975 1 719 . 1 1 80 80 ARG HA H 1 4.861 . . . . . . A 469 ARG HA . 25975 1 720 . 1 1 80 80 ARG HB2 H 1 1.859 . . . . . . A 469 ARG HB2 . 25975 1 721 . 1 1 80 80 ARG HB3 H 1 1.859 . . . . . . A 469 ARG HB3 . 25975 1 722 . 1 1 80 80 ARG HG2 H 1 1.867 . . . . . . A 469 ARG HG2 . 25975 1 723 . 1 1 80 80 ARG HG3 H 1 1.656 . . . . . . A 469 ARG HG3 . 25975 1 724 . 1 1 80 80 ARG HD2 H 1 3.237 . . . . . . A 469 ARG HD2 . 25975 1 725 . 1 1 80 80 ARG HD3 H 1 3.237 . . . . . . A 469 ARG HD3 . 25975 1 726 . 1 1 80 80 ARG C C 13 177.027 . . . . . . A 469 ARG C . 25975 1 727 . 1 1 80 80 ARG CA C 13 56.566 . . . . . . A 469 ARG CA . 25975 1 728 . 1 1 80 80 ARG CB C 13 30.274 . . . . . . A 469 ARG CB . 25975 1 729 . 1 1 80 80 ARG CG C 13 27.564 . . . . . . A 469 ARG CG . 25975 1 730 . 1 1 80 80 ARG CD C 13 43.397 . . . . . . A 469 ARG CD . 25975 1 731 . 1 1 80 80 ARG N N 15 123.800 . . . . . . A 469 ARG N . 25975 1 732 . 1 1 81 81 VAL H H 1 8.283 . . . . . . A 470 VAL H . 25975 1 733 . 1 1 81 81 VAL HA H 1 4.772 . . . . . . A 470 VAL HA . 25975 1 734 . 1 1 81 81 VAL HB H 1 2.369 . . . . . . A 470 VAL HB . 25975 1 735 . 1 1 81 81 VAL HG11 H 1 0.987 . . . . . . A 470 VAL HG11 . 25975 1 736 . 1 1 81 81 VAL HG12 H 1 0.987 . . . . . . A 470 VAL HG12 . 25975 1 737 . 1 1 81 81 VAL HG13 H 1 0.987 . . . . . . A 470 VAL HG13 . 25975 1 738 . 1 1 81 81 VAL HG21 H 1 0.697 . . . . . . A 470 VAL HG21 . 25975 1 739 . 1 1 81 81 VAL HG22 H 1 0.697 . . . . . . A 470 VAL HG22 . 25975 1 740 . 1 1 81 81 VAL HG23 H 1 0.697 . . . . . . A 470 VAL HG23 . 25975 1 741 . 1 1 81 81 VAL C C 13 175.117 . . . . . . A 470 VAL C . 25975 1 742 . 1 1 81 81 VAL CA C 13 59.521 . . . . . . A 470 VAL CA . 25975 1 743 . 1 1 81 81 VAL CB C 13 35.763 . . . . . . A 470 VAL CB . 25975 1 744 . 1 1 81 81 VAL CG1 C 13 22.407 . . . . . . A 470 VAL CG1 . 25975 1 745 . 1 1 81 81 VAL CG2 C 13 18.646 . . . . . . A 470 VAL CG2 . 25975 1 746 . 1 1 81 81 VAL N N 15 117.176 . . . . . . A 470 VAL N . 25975 1 747 . 1 1 82 82 LYS H H 1 8.757 . . . . . . A 471 LYS H . 25975 1 748 . 1 1 82 82 LYS HA H 1 4.541 . . . . . . A 471 LYS HA . 25975 1 749 . 1 1 82 82 LYS HB2 H 1 1.996 . . . . . . A 471 LYS HB2 . 25975 1 750 . 1 1 82 82 LYS HB3 H 1 1.814 . . . . . . A 471 LYS HB3 . 25975 1 751 . 1 1 82 82 LYS HG2 H 1 1.512 . . . . . . A 471 LYS HG2 . 25975 1 752 . 1 1 82 82 LYS HG3 H 1 1.512 . . . . . . A 471 LYS HG3 . 25975 1 753 . 1 1 82 82 LYS C C 13 176.123 . . . . . . A 471 LYS C . 25975 1 754 . 1 1 82 82 LYS CA C 13 56.730 . . . . . . A 471 LYS CA . 25975 1 755 . 1 1 82 82 LYS CB C 13 34.015 . . . . . . A 471 LYS CB . 25975 1 756 . 1 1 82 82 LYS N N 15 118.230 . . . . . . A 471 LYS N . 25975 1 757 . 1 1 83 83 GLU H H 1 7.447 . . . . . . A 472 GLU H . 25975 1 758 . 1 1 83 83 GLU HA H 1 5.285 . . . . . . A 472 GLU HA . 25975 1 759 . 1 1 83 83 GLU HB2 H 1 2.018 . . . . . . A 472 GLU HB2 . 25975 1 760 . 1 1 83 83 GLU HB3 H 1 1.786 . . . . . . A 472 GLU HB3 . 25975 1 761 . 1 1 83 83 GLU HG2 H 1 2.087 . . . . . . A 472 GLU HG2 . 25975 1 762 . 1 1 83 83 GLU HG3 H 1 2.087 . . . . . . A 472 GLU HG3 . 25975 1 763 . 1 1 83 83 GLU C C 13 173.673 . . . . . . A 472 GLU C . 25975 1 764 . 1 1 83 83 GLU CA C 13 54.554 . . . . . . A 472 GLU CA . 25975 1 765 . 1 1 83 83 GLU CB C 13 33.394 . . . . . . A 472 GLU CB . 25975 1 766 . 1 1 83 83 GLU CG C 13 35.471 . . . . . . A 472 GLU CG . 25975 1 767 . 1 1 83 83 GLU N N 15 115.807 . . . . . . A 472 GLU N . 25975 1 768 . 1 1 84 84 ALA H H 1 9.133 . . . . . . A 473 ALA H . 25975 1 769 . 1 1 84 84 ALA HA H 1 4.752 . . . . . . A 473 ALA HA . 25975 1 770 . 1 1 84 84 ALA HB1 H 1 1.407 . . . . . . A 473 ALA HB1 . 25975 1 771 . 1 1 84 84 ALA HB2 H 1 1.407 . . . . . . A 473 ALA HB2 . 25975 1 772 . 1 1 84 84 ALA HB3 H 1 1.407 . . . . . . A 473 ALA HB3 . 25975 1 773 . 1 1 84 84 ALA C C 13 175.198 . . . . . . A 473 ALA C . 25975 1 774 . 1 1 84 84 ALA CA C 13 52.284 . . . . . . A 473 ALA CA . 25975 1 775 . 1 1 84 84 ALA CB C 13 23.482 . . . . . . A 473 ALA CB . 25975 1 776 . 1 1 84 84 ALA N N 15 123.402 . . . . . . A 473 ALA N . 25975 1 777 . 1 1 85 85 GLY H H 1 7.946 . . . . . . A 474 GLY H . 25975 1 778 . 1 1 85 85 GLY HA2 H 1 5.019 . . . . . . A 474 GLY HA2 . 25975 1 779 . 1 1 85 85 GLY HA3 H 1 3.880 . . . . . . A 474 GLY HA3 . 25975 1 780 . 1 1 85 85 GLY C C 13 170.713 . . . . . . A 474 GLY C . 25975 1 781 . 1 1 85 85 GLY CA C 13 43.689 . . . . . . A 474 GLY CA . 25975 1 782 . 1 1 85 85 GLY N N 15 111.104 . . . . . . A 474 GLY N . 25975 1 783 . 1 1 86 86 PRO HA H 1 4.311 . . . . . . A 475 PRO HA . 25975 1 784 . 1 1 86 86 PRO HB2 H 1 2.231 . . . . . . A 475 PRO HB2 . 25975 1 785 . 1 1 86 86 PRO HB3 H 1 2.231 . . . . . . A 475 PRO HB3 . 25975 1 786 . 1 1 86 86 PRO HG2 H 1 2.131 . . . . . . A 475 PRO HG2 . 25975 1 787 . 1 1 86 86 PRO HG3 H 1 2.131 . . . . . . A 475 PRO HG3 . 25975 1 788 . 1 1 86 86 PRO HD2 H 1 3.827 . . . . . . A 475 PRO HD2 . 25975 1 789 . 1 1 86 86 PRO HD3 H 1 3.827 . . . . . . A 475 PRO HD3 . 25975 1 790 . 1 1 86 86 PRO C C 13 177.714 . . . . . . A 475 PRO C . 25975 1 791 . 1 1 86 86 PRO CA C 13 63.737 . . . . . . A 475 PRO CA . 25975 1 792 . 1 1 86 86 PRO CB C 13 32.731 . . . . . . A 475 PRO CB . 25975 1 793 . 1 1 87 87 SER H H 1 8.696 . . . . . . A 476 SER H . 25975 1 794 . 1 1 87 87 SER HA H 1 4.112 . . . . . . A 476 SER HA . 25975 1 795 . 1 1 87 87 SER HB2 H 1 4.213 . . . . . . A 476 SER HB2 . 25975 1 796 . 1 1 87 87 SER HB3 H 1 4.213 . . . . . . A 476 SER HB3 . 25975 1 797 . 1 1 87 87 SER C C 13 173.248 . . . . . . A 476 SER C . 25975 1 798 . 1 1 87 87 SER CA C 13 60.499 . . . . . . A 476 SER CA . 25975 1 799 . 1 1 87 87 SER CB C 13 62.436 . . . . . . A 476 SER CB . 25975 1 800 . 1 1 87 87 SER N N 15 112.937 . . . . . . A 476 SER N . 25975 1 801 . 1 1 88 88 MET H H 1 8.033 . . . . . . A 477 MET H . 25975 1 802 . 1 1 88 88 MET HA H 1 4.998 . . . . . . A 477 MET HA . 25975 1 803 . 1 1 88 88 MET HB2 H 1 2.221 . . . . . . A 477 MET HB2 . 25975 1 804 . 1 1 88 88 MET HB3 H 1 2.121 . . . . . . A 477 MET HB3 . 25975 1 805 . 1 1 88 88 MET HG2 H 1 2.641 . . . . . . A 477 MET HG2 . 25975 1 806 . 1 1 88 88 MET HG3 H 1 2.528 . . . . . . A 477 MET HG3 . 25975 1 807 . 1 1 88 88 MET CA C 13 53.511 . . . . . . A 477 MET CA . 25975 1 808 . 1 1 88 88 MET CB C 13 34.476 . . . . . . A 477 MET CB . 25975 1 809 . 1 1 88 88 MET CG C 13 32.248 . . . . . . A 477 MET CG . 25975 1 810 . 1 1 88 88 MET N N 15 121.086 . . . . . . A 477 MET N . 25975 1 811 . 1 1 89 89 PRO HA H 1 5.390 . . . . . . A 478 PRO HA . 25975 1 812 . 1 1 89 89 PRO HB2 H 1 1.862 . . . . . . A 478 PRO HB2 . 25975 1 813 . 1 1 89 89 PRO HB3 H 1 1.862 . . . . . . A 478 PRO HB3 . 25975 1 814 . 1 1 89 89 PRO HG2 H 1 2.007 . . . . . . A 478 PRO HG2 . 25975 1 815 . 1 1 89 89 PRO HG3 H 1 2.007 . . . . . . A 478 PRO HG3 . 25975 1 816 . 1 1 89 89 PRO C C 13 177.707 . . . . . . A 478 PRO C . 25975 1 817 . 1 1 89 89 PRO CA C 13 62.194 . . . . . . A 478 PRO CA . 25975 1 818 . 1 1 89 89 PRO CB C 13 31.662 . . . . . . A 478 PRO CB . 25975 1 819 . 1 1 89 89 PRO CG C 13 32.190 . . . . . . A 478 PRO CG . 25975 1 820 . 1 1 90 90 VAL H H 1 8.824 . . . . . . A 479 VAL H . 25975 1 821 . 1 1 90 90 VAL HA H 1 4.948 . . . . . . A 479 VAL HA . 25975 1 822 . 1 1 90 90 VAL HB H 1 1.721 . . . . . . A 479 VAL HB . 25975 1 823 . 1 1 90 90 VAL HG11 H 1 0.796 . . . . . . A 479 VAL HG11 . 25975 1 824 . 1 1 90 90 VAL HG12 H 1 0.796 . . . . . . A 479 VAL HG12 . 25975 1 825 . 1 1 90 90 VAL HG13 H 1 0.796 . . . . . . A 479 VAL HG13 . 25975 1 826 . 1 1 90 90 VAL HG21 H 1 0.784 . . . . . . A 479 VAL HG21 . 25975 1 827 . 1 1 90 90 VAL HG22 H 1 0.784 . . . . . . A 479 VAL HG22 . 25975 1 828 . 1 1 90 90 VAL HG23 H 1 0.784 . . . . . . A 479 VAL HG23 . 25975 1 829 . 1 1 90 90 VAL C C 13 173.456 . . . . . . A 479 VAL C . 25975 1 830 . 1 1 90 90 VAL CA C 13 58.807 . . . . . . A 479 VAL CA . 25975 1 831 . 1 1 90 90 VAL CB C 13 36.283 . . . . . . A 479 VAL CB . 25975 1 832 . 1 1 90 90 VAL CG1 C 13 22.589 . . . . . . A 479 VAL CG1 . 25975 1 833 . 1 1 90 90 VAL CG2 C 13 17.994 . . . . . . A 479 VAL CG2 . 25975 1 834 . 1 1 90 90 VAL N N 15 116.453 . . . . . . A 479 VAL N . 25975 1 835 . 1 1 91 91 GLU H H 1 9.124 . . . . . . A 480 GLU H . 25975 1 836 . 1 1 91 91 GLU HA H 1 5.167 . . . . . . A 480 GLU HA . 25975 1 837 . 1 1 91 91 GLU HB2 H 1 1.928 . . . . . . A 480 GLU HB2 . 25975 1 838 . 1 1 91 91 GLU HB3 H 1 1.928 . . . . . . A 480 GLU HB3 . 25975 1 839 . 1 1 91 91 GLU C C 13 177.424 . . . . . . A 480 GLU C . 25975 1 840 . 1 1 91 91 GLU CA C 13 55.139 . . . . . . A 480 GLU CA . 25975 1 841 . 1 1 91 91 GLU CB C 13 31.745 . . . . . . A 480 GLU CB . 25975 1 842 . 1 1 91 91 GLU N N 15 124.770 . . . . . . A 480 GLU N . 25975 1 843 . 1 1 92 92 ILE H H 1 9.392 . . . . . . A 481 ILE H . 25975 1 844 . 1 1 92 92 ILE HA H 1 5.706 . . . . . . A 481 ILE HA . 25975 1 845 . 1 1 92 92 ILE HB H 1 2.067 . . . . . . A 481 ILE HB . 25975 1 846 . 1 1 92 92 ILE HG12 H 1 1.531 . . . . . . A 481 ILE HG12 . 25975 1 847 . 1 1 92 92 ILE HG13 H 1 0.980 . . . . . . A 481 ILE HG13 . 25975 1 848 . 1 1 92 92 ILE HG21 H 1 0.806 . . . . . . A 481 ILE HG21 . 25975 1 849 . 1 1 92 92 ILE HG22 H 1 0.806 . . . . . . A 481 ILE HG22 . 25975 1 850 . 1 1 92 92 ILE HG23 H 1 0.806 . . . . . . A 481 ILE HG23 . 25975 1 851 . 1 1 92 92 ILE HD11 H 1 0.602 . . . . . . A 481 ILE HD11 . 25975 1 852 . 1 1 92 92 ILE HD12 H 1 0.602 . . . . . . A 481 ILE HD12 . 25975 1 853 . 1 1 92 92 ILE HD13 H 1 0.602 . . . . . . A 481 ILE HD13 . 25975 1 854 . 1 1 92 92 ILE C C 13 175.572 . . . . . . A 481 ILE C . 25975 1 855 . 1 1 92 92 ILE CA C 13 58.807 . . . . . . A 481 ILE CA . 25975 1 856 . 1 1 92 92 ILE CB C 13 42.002 . . . . . . A 481 ILE CB . 25975 1 857 . 1 1 92 92 ILE CG1 C 13 26.285 . . . . . . A 481 ILE CG1 . 25975 1 858 . 1 1 92 92 ILE CG2 C 13 19.503 . . . . . . A 481 ILE CG2 . 25975 1 859 . 1 1 92 92 ILE CD1 C 13 16.285 . . . . . . A 481 ILE CD1 . 25975 1 860 . 1 1 92 92 ILE N N 15 120.936 . . . . . . A 481 ILE N . 25975 1 861 . 1 1 93 93 THR H H 1 7.750 . . . . . . A 482 THR H . 25975 1 862 . 1 1 93 93 THR HA H 1 4.879 . . . . . . A 482 THR HA . 25975 1 863 . 1 1 93 93 THR HB H 1 4.376 . . . . . . A 482 THR HB . 25975 1 864 . 1 1 93 93 THR HG21 H 1 1.235 . . . . . . A 482 THR HG21 . 25975 1 865 . 1 1 93 93 THR HG22 H 1 1.235 . . . . . . A 482 THR HG22 . 25975 1 866 . 1 1 93 93 THR HG23 H 1 1.235 . . . . . . A 482 THR HG23 . 25975 1 867 . 1 1 93 93 THR C C 13 175.338 . . . . . . A 482 THR C . 25975 1 868 . 1 1 93 93 THR CA C 13 59.659 . . . . . . A 482 THR CA . 25975 1 869 . 1 1 93 93 THR CB C 13 71.259 . . . . . . A 482 THR CB . 25975 1 870 . 1 1 93 93 THR CG2 C 13 23.357 . . . . . . A 482 THR CG2 . 25975 1 871 . 1 1 93 93 THR N N 15 110.801 . . . . . . A 482 THR N . 25975 1 872 . 1 1 94 94 GLY H H 1 9.118 . . . . . . A 483 GLY H . 25975 1 873 . 1 1 94 94 GLY HA2 H 1 5.525 . . . . . . A 483 GLY HA2 . 25975 1 874 . 1 1 94 94 GLY HA3 H 1 3.676 . . . . . . A 483 GLY HA3 . 25975 1 875 . 1 1 94 94 GLY C C 13 175.915 . . . . . . A 483 GLY C . 25975 1 876 . 1 1 94 94 GLY CA C 13 44.838 . . . . . . A 483 GLY CA . 25975 1 877 . 1 1 94 94 GLY N N 15 107.028 . . . . . . A 483 GLY N . 25975 1 878 . 1 1 95 95 LEU H H 1 7.635 . . . . . . A 484 LEU H . 25975 1 879 . 1 1 95 95 LEU HA H 1 4.438 . . . . . . A 484 LEU HA . 25975 1 880 . 1 1 95 95 LEU HB2 H 1 1.713 . . . . . . A 484 LEU HB2 . 25975 1 881 . 1 1 95 95 LEU HB3 H 1 1.482 . . . . . . A 484 LEU HB3 . 25975 1 882 . 1 1 95 95 LEU HD11 H 1 0.652 . . . . . . A 484 LEU HD11 . 25975 1 883 . 1 1 95 95 LEU HD12 H 1 0.652 . . . . . . A 484 LEU HD12 . 25975 1 884 . 1 1 95 95 LEU HD13 H 1 0.652 . . . . . . A 484 LEU HD13 . 25975 1 885 . 1 1 95 95 LEU HD21 H 1 0.514 . . . . . . A 484 LEU HD21 . 25975 1 886 . 1 1 95 95 LEU HD22 H 1 0.514 . . . . . . A 484 LEU HD22 . 25975 1 887 . 1 1 95 95 LEU HD23 H 1 0.514 . . . . . . A 484 LEU HD23 . 25975 1 888 . 1 1 95 95 LEU C C 13 177.210 . . . . . . A 484 LEU C . 25975 1 889 . 1 1 95 95 LEU CA C 13 54.843 . . . . . . A 484 LEU CA . 25975 1 890 . 1 1 95 95 LEU CB C 13 42.905 . . . . . . A 484 LEU CB . 25975 1 891 . 1 1 95 95 LEU CD1 C 13 26.315 . . . . . . A 484 LEU CD1 . 25975 1 892 . 1 1 95 95 LEU CD2 C 13 22.857 . . . . . . A 484 LEU CD2 . 25975 1 893 . 1 1 95 95 LEU N N 15 119.085 . . . . . . A 484 LEU N . 25975 1 894 . 1 1 96 96 HIS H H 1 8.685 . . . . . . A 485 HIS H . 25975 1 895 . 1 1 96 96 HIS HA H 1 4.206 . . . . . . A 485 HIS HA . 25975 1 896 . 1 1 96 96 HIS HB2 H 1 2.810 . . . . . . A 485 HIS HB2 . 25975 1 897 . 1 1 96 96 HIS HB3 H 1 2.728 . . . . . . A 485 HIS HB3 . 25975 1 898 . 1 1 96 96 HIS C C 13 173.625 . . . . . . A 485 HIS C . 25975 1 899 . 1 1 96 96 HIS CA C 13 58.759 . . . . . . A 485 HIS CA . 25975 1 900 . 1 1 96 96 HIS CB C 13 28.844 . . . . . . A 485 HIS CB . 25975 1 901 . 1 1 96 96 HIS N N 15 117.566 . . . . . . A 485 HIS N . 25975 1 902 . 1 1 97 97 ASP H H 1 7.558 . . . . . . A 486 ASP H . 25975 1 903 . 1 1 97 97 ASP HA H 1 4.821 . . . . . . A 486 ASP HA . 25975 1 904 . 1 1 97 97 ASP HB2 H 1 2.642 . . . . . . A 486 ASP HB2 . 25975 1 905 . 1 1 97 97 ASP HB3 H 1 2.294 . . . . . . A 486 ASP HB3 . 25975 1 906 . 1 1 97 97 ASP C C 13 172.539 . . . . . . A 486 ASP C . 25975 1 907 . 1 1 97 97 ASP CA C 13 51.249 . . . . . . A 486 ASP CA . 25975 1 908 . 1 1 97 97 ASP CB C 13 44.172 . . . . . . A 486 ASP CB . 25975 1 909 . 1 1 97 97 ASP N N 15 115.776 . . . . . . A 486 ASP N . 25975 1 910 . 1 1 98 98 VAL H H 1 8.694 . . . . . . A 487 VAL H . 25975 1 911 . 1 1 98 98 VAL HA H 1 3.923 . . . . . . A 487 VAL HA . 25975 1 912 . 1 1 98 98 VAL HB H 1 2.040 . . . . . . A 487 VAL HB . 25975 1 913 . 1 1 98 98 VAL HG11 H 1 0.986 . . . . . . A 487 VAL HG11 . 25975 1 914 . 1 1 98 98 VAL HG12 H 1 0.986 . . . . . . A 487 VAL HG12 . 25975 1 915 . 1 1 98 98 VAL HG13 H 1 0.986 . . . . . . A 487 VAL HG13 . 25975 1 916 . 1 1 98 98 VAL C C 13 175.504 . . . . . . A 487 VAL C . 25975 1 917 . 1 1 98 98 VAL CA C 13 61.101 . . . . . . A 487 VAL CA . 25975 1 918 . 1 1 98 98 VAL CB C 13 32.566 . . . . . . A 487 VAL CB . 25975 1 919 . 1 1 98 98 VAL N N 15 119.107 . . . . . . A 487 VAL N . 25975 1 920 . 1 1 99 99 PRO HA H 1 4.848 . . . . . . A 488 PRO HA . 25975 1 921 . 1 1 99 99 PRO HB2 H 1 2.307 . . . . . . A 488 PRO HB2 . 25975 1 922 . 1 1 99 99 PRO HB3 H 1 2.307 . . . . . . A 488 PRO HB3 . 25975 1 923 . 1 1 99 99 PRO C C 13 172.542 . . . . . . A 488 PRO C . 25975 1 924 . 1 1 99 99 PRO CA C 13 62.379 . . . . . . A 488 PRO CA . 25975 1 925 . 1 1 99 99 PRO CB C 13 32.218 . . . . . . A 488 PRO CB . 25975 1 926 . 1 1 100 100 GLN H H 1 8.688 . . . . . . A 489 GLN H . 25975 1 927 . 1 1 100 100 GLN HA H 1 4.471 . . . . . . A 489 GLN HA . 25975 1 928 . 1 1 100 100 GLN HB2 H 1 2.008 . . . . . . A 489 GLN HB2 . 25975 1 929 . 1 1 100 100 GLN HB3 H 1 2.008 . . . . . . A 489 GLN HB3 . 25975 1 930 . 1 1 100 100 GLN HG2 H 1 2.402 . . . . . . A 489 GLN HG2 . 25975 1 931 . 1 1 100 100 GLN HG3 H 1 2.402 . . . . . . A 489 GLN HG3 . 25975 1 932 . 1 1 100 100 GLN HE21 H 1 6.831 . . . . . . A 489 GLN HE21 . 25975 1 933 . 1 1 100 100 GLN HE22 H 1 7.694 . . . . . . A 489 GLN HE22 . 25975 1 934 . 1 1 100 100 GLN C C 13 175.929 . . . . . . A 489 GLN C . 25975 1 935 . 1 1 100 100 GLN CA C 13 54.200 . . . . . . A 489 GLN CA . 25975 1 936 . 1 1 100 100 GLN CB C 13 31.296 . . . . . . A 489 GLN CB . 25975 1 937 . 1 1 100 100 GLN CG C 13 34.170 . . . . . . A 489 GLN CG . 25975 1 938 . 1 1 100 100 GLN N N 15 115.692 . . . . . . A 489 GLN N . 25975 1 939 . 1 1 100 100 GLN NE2 N 15 112.843 . . . . . . A 489 GLN NE2 . 25975 1 940 . 1 1 101 101 ALA H H 1 8.660 . . . . . . A 490 ALA H . 25975 1 941 . 1 1 101 101 ALA HA H 1 3.654 . . . . . . A 490 ALA HA . 25975 1 942 . 1 1 101 101 ALA HB1 H 1 1.376 . . . . . . A 490 ALA HB1 . 25975 1 943 . 1 1 101 101 ALA HB2 H 1 1.376 . . . . . . A 490 ALA HB2 . 25975 1 944 . 1 1 101 101 ALA HB3 H 1 1.376 . . . . . . A 490 ALA HB3 . 25975 1 945 . 1 1 101 101 ALA C C 13 178.604 . . . . . . A 490 ALA C . 25975 1 946 . 1 1 101 101 ALA CA C 13 53.976 . . . . . . A 490 ALA CA . 25975 1 947 . 1 1 101 101 ALA CB C 13 17.894 . . . . . . A 490 ALA CB . 25975 1 948 . 1 1 101 101 ALA N N 15 124.403 . . . . . . A 490 ALA N . 25975 1 949 . 1 1 102 102 GLY H H 1 9.116 . . . . . . A 491 GLY H . 25975 1 950 . 1 1 102 102 GLY HA2 H 1 4.487 . . . . . . A 491 GLY HA2 . 25975 1 951 . 1 1 102 102 GLY HA3 H 1 3.629 . . . . . . A 491 GLY HA3 . 25975 1 952 . 1 1 102 102 GLY C C 13 174.870 . . . . . . A 491 GLY C . 25975 1 953 . 1 1 102 102 GLY CA C 13 44.979 . . . . . . A 491 GLY CA . 25975 1 954 . 1 1 102 102 GLY N N 15 112.651 . . . . . . A 491 GLY N . 25975 1 955 . 1 1 103 103 ASP H H 1 8.171 . . . . . . A 492 ASP H . 25975 1 956 . 1 1 103 103 ASP HA H 1 4.602 . . . . . . A 492 ASP HA . 25975 1 957 . 1 1 103 103 ASP HB2 H 1 2.790 . . . . . . A 492 ASP HB2 . 25975 1 958 . 1 1 103 103 ASP HB3 H 1 2.503 . . . . . . A 492 ASP HB3 . 25975 1 959 . 1 1 103 103 ASP C C 13 175.548 . . . . . . A 492 ASP C . 25975 1 960 . 1 1 103 103 ASP CA C 13 55.636 . . . . . . A 492 ASP CA . 25975 1 961 . 1 1 103 103 ASP CB C 13 41.879 . . . . . . A 492 ASP CB . 25975 1 962 . 1 1 103 103 ASP N N 15 121.686 . . . . . . A 492 ASP N . 25975 1 963 . 1 1 104 104 ARG H H 1 8.863 . . . . . . A 493 ARG H . 25975 1 964 . 1 1 104 104 ARG HA H 1 5.116 . . . . . . A 493 ARG HA . 25975 1 965 . 1 1 104 104 ARG HB2 H 1 1.956 . . . . . . A 493 ARG HB2 . 25975 1 966 . 1 1 104 104 ARG HB3 H 1 1.956 . . . . . . A 493 ARG HB3 . 25975 1 967 . 1 1 104 104 ARG HG2 H 1 1.820 . . . . . . A 493 ARG HG2 . 25975 1 968 . 1 1 104 104 ARG HG3 H 1 1.820 . . . . . . A 493 ARG HG3 . 25975 1 969 . 1 1 104 104 ARG HD2 H 1 3.240 . . . . . . A 493 ARG HD2 . 25975 1 970 . 1 1 104 104 ARG HD3 H 1 3.240 . . . . . . A 493 ARG HD3 . 25975 1 971 . 1 1 104 104 ARG C C 13 176.668 . . . . . . A 493 ARG C . 25975 1 972 . 1 1 104 104 ARG CA C 13 54.893 . . . . . . A 493 ARG CA . 25975 1 973 . 1 1 104 104 ARG CB C 13 31.540 . . . . . . A 493 ARG CB . 25975 1 974 . 1 1 104 104 ARG CG C 13 27.884 . . . . . . A 493 ARG CG . 25975 1 975 . 1 1 104 104 ARG CD C 13 43.411 . . . . . . A 493 ARG CD . 25975 1 976 . 1 1 104 104 ARG N N 15 119.848 . . . . . . A 493 ARG N . 25975 1 977 . 1 1 105 105 PHE H H 1 8.565 . . . . . . A 494 PHE H . 25975 1 978 . 1 1 105 105 PHE HA H 1 6.168 . . . . . . A 494 PHE HA . 25975 1 979 . 1 1 105 105 PHE HB2 H 1 3.260 . . . . . . A 494 PHE HB2 . 25975 1 980 . 1 1 105 105 PHE HB3 H 1 2.474 . . . . . . A 494 PHE HB3 . 25975 1 981 . 1 1 105 105 PHE HD1 H 1 6.728 . . . . . . A 494 PHE HD1 . 25975 1 982 . 1 1 105 105 PHE HD2 H 1 6.728 . . . . . . A 494 PHE HD2 . 25975 1 983 . 1 1 105 105 PHE C C 13 173.470 . . . . . . A 494 PHE C . 25975 1 984 . 1 1 105 105 PHE CA C 13 54.772 . . . . . . A 494 PHE CA . 25975 1 985 . 1 1 105 105 PHE CB C 13 45.207 . . . . . . A 494 PHE CB . 25975 1 986 . 1 1 105 105 PHE N N 15 119.514 . . . . . . A 494 PHE N . 25975 1 987 . 1 1 106 106 MET H H 1 8.951 . . . . . . A 495 MET H . 25975 1 988 . 1 1 106 106 MET HA H 1 5.158 . . . . . . A 495 MET HA . 25975 1 989 . 1 1 106 106 MET HB2 H 1 1.968 . . . . . . A 495 MET HB2 . 25975 1 990 . 1 1 106 106 MET HB3 H 1 1.968 . . . . . . A 495 MET HB3 . 25975 1 991 . 1 1 106 106 MET HG2 H 1 2.516 . . . . . . A 495 MET HG2 . 25975 1 992 . 1 1 106 106 MET HG3 H 1 2.421 . . . . . . A 495 MET HG3 . 25975 1 993 . 1 1 106 106 MET C C 13 174.326 . . . . . . A 495 MET C . 25975 1 994 . 1 1 106 106 MET CA C 13 55.320 . . . . . . A 495 MET CA . 25975 1 995 . 1 1 106 106 MET CB C 13 37.170 . . . . . . A 495 MET CB . 25975 1 996 . 1 1 106 106 MET CG C 13 32.060 . . . . . . A 495 MET CG . 25975 1 997 . 1 1 106 106 MET N N 15 118.693 . . . . . . A 495 MET N . 25975 1 998 . 1 1 107 107 VAL H H 1 8.244 . . . . . . A 496 VAL H . 25975 1 999 . 1 1 107 107 VAL HA H 1 4.869 . . . . . . A 496 VAL HA . 25975 1 1000 . 1 1 107 107 VAL HB H 1 2.100 . . . . . . A 496 VAL HB . 25975 1 1001 . 1 1 107 107 VAL HG11 H 1 1.226 . . . . . . A 496 VAL HG11 . 25975 1 1002 . 1 1 107 107 VAL HG12 H 1 1.226 . . . . . . A 496 VAL HG12 . 25975 1 1003 . 1 1 107 107 VAL HG13 H 1 1.226 . . . . . . A 496 VAL HG13 . 25975 1 1004 . 1 1 107 107 VAL C C 13 175.617 . . . . . . A 496 VAL C . 25975 1 1005 . 1 1 107 107 VAL CA C 13 62.391 . . . . . . A 496 VAL CA . 25975 1 1006 . 1 1 107 107 VAL CB C 13 33.351 . . . . . . A 496 VAL CB . 25975 1 1007 . 1 1 107 107 VAL CG1 C 13 22.955 . . . . . . A 496 VAL CG1 . 25975 1 1008 . 1 1 107 107 VAL N N 15 123.902 . . . . . . A 496 VAL N . 25975 1 1009 . 1 1 108 108 PHE H H 1 8.247 . . . . . . A 497 PHE H . 25975 1 1010 . 1 1 108 108 PHE HA H 1 4.857 . . . . . . A 497 PHE HA . 25975 1 1011 . 1 1 108 108 PHE HB2 H 1 2.863 . . . . . . A 497 PHE HB2 . 25975 1 1012 . 1 1 108 108 PHE HB3 H 1 2.863 . . . . . . A 497 PHE HB3 . 25975 1 1013 . 1 1 108 108 PHE C C 13 174.282 . . . . . . A 497 PHE C . 25975 1 1014 . 1 1 108 108 PHE CA C 13 57.527 . . . . . . A 497 PHE CA . 25975 1 1015 . 1 1 108 108 PHE CB C 13 42.877 . . . . . . A 497 PHE CB . 25975 1 1016 . 1 1 108 108 PHE N N 15 126.640 . . . . . . A 497 PHE N . 25975 1 1017 . 1 1 109 109 GLU H H 1 8.665 . . . . . . A 498 GLU H . 25975 1 1018 . 1 1 109 109 GLU HA H 1 4.274 . . . . . . A 498 GLU HA . 25975 1 1019 . 1 1 109 109 GLU HB2 H 1 2.076 . . . . . . A 498 GLU HB2 . 25975 1 1020 . 1 1 109 109 GLU HB3 H 1 2.076 . . . . . . A 498 GLU HB3 . 25975 1 1021 . 1 1 109 109 GLU HG2 H 1 2.284 . . . . . . A 498 GLU HG2 . 25975 1 1022 . 1 1 109 109 GLU HG3 H 1 2.284 . . . . . . A 498 GLU HG3 . 25975 1 1023 . 1 1 109 109 GLU C C 13 175.443 . . . . . . A 498 GLU C . 25975 1 1024 . 1 1 109 109 GLU CA C 13 57.167 . . . . . . A 498 GLU CA . 25975 1 1025 . 1 1 109 109 GLU CB C 13 29.824 . . . . . . A 498 GLU CB . 25975 1 1026 . 1 1 109 109 GLU CG C 13 36.430 . . . . . . A 498 GLU CG . 25975 1 1027 . 1 1 109 109 GLU N N 15 120.485 . . . . . . A 498 GLU N . 25975 1 1028 . 1 1 110 110 ASP H H 1 8.157 . . . . . . A 499 ASP H . 25975 1 1029 . 1 1 110 110 ASP HA H 1 4.706 . . . . . . A 499 ASP HA . 25975 1 1030 . 1 1 110 110 ASP HB2 H 1 2.824 . . . . . . A 499 ASP HB2 . 25975 1 1031 . 1 1 110 110 ASP HB3 H 1 2.728 . . . . . . A 499 ASP HB3 . 25975 1 1032 . 1 1 110 110 ASP CA C 13 53.597 . . . . . . A 499 ASP CA . 25975 1 1033 . 1 1 110 110 ASP CB C 13 42.242 . . . . . . A 499 ASP CB . 25975 1 1034 . 1 1 110 110 ASP N N 15 119.698 . . . . . . A 499 ASP N . 25975 1 1035 . 1 1 111 111 GLU H H 1 8.880 . . . . . . A 500 GLU H . 25975 1 1036 . 1 1 111 111 GLU HA H 1 4.172 . . . . . . A 500 GLU HA . 25975 1 1037 . 1 1 111 111 GLU HB2 H 1 2.096 . . . . . . A 500 GLU HB2 . 25975 1 1038 . 1 1 111 111 GLU HB3 H 1 2.096 . . . . . . A 500 GLU HB3 . 25975 1 1039 . 1 1 111 111 GLU HG2 H 1 2.370 . . . . . . A 500 GLU HG2 . 25975 1 1040 . 1 1 111 111 GLU HG3 H 1 2.370 . . . . . . A 500 GLU HG3 . 25975 1 1041 . 1 1 111 111 GLU C C 13 177.182 . . . . . . A 500 GLU C . 25975 1 1042 . 1 1 111 111 GLU CA C 13 58.131 . . . . . . A 500 GLU CA . 25975 1 1043 . 1 1 111 111 GLU CB C 13 29.985 . . . . . . A 500 GLU CB . 25975 1 1044 . 1 1 111 111 GLU N N 15 123.477 . . . . . . A 500 GLU N . 25975 1 1045 . 1 1 112 112 LYS H H 1 8.424 . . . . . . A 501 LYS H . 25975 1 1046 . 1 1 112 112 LYS HA H 1 4.785 . . . . . . A 501 LYS HA . 25975 1 1047 . 1 1 112 112 LYS HB2 H 1 2.848 . . . . . . A 501 LYS HB2 . 25975 1 1048 . 1 1 112 112 LYS HB3 H 1 1.866 . . . . . . A 501 LYS HB3 . 25975 1 1049 . 1 1 112 112 LYS C C 13 177.994 . . . . . . A 501 LYS C . 25975 1 1050 . 1 1 112 112 LYS CA C 13 58.206 . . . . . . A 501 LYS CA . 25975 1 1051 . 1 1 112 112 LYS CB C 13 32.096 . . . . . . A 501 LYS CB . 25975 1 1052 . 1 1 112 112 LYS N N 15 121.327 . . . . . . A 501 LYS N . 25975 1 1053 . 1 1 113 113 LYS H H 1 8.091 . . . . . . A 502 LYS H . 25975 1 1054 . 1 1 113 113 LYS HA H 1 4.171 . . . . . . A 502 LYS HA . 25975 1 1055 . 1 1 113 113 LYS C C 13 177.100 . . . . . . A 502 LYS C . 25975 1 1056 . 1 1 113 113 LYS CA C 13 57.241 . . . . . . A 502 LYS CA . 25975 1 1057 . 1 1 113 113 LYS CB C 13 32.595 . . . . . . A 502 LYS CB . 25975 1 1058 . 1 1 113 113 LYS N N 15 120.707 . . . . . . A 502 LYS N . 25975 1 1059 . 1 1 114 114 ALA H H 1 7.861 . . . . . . A 503 ALA H . 25975 1 1060 . 1 1 114 114 ALA HA H 1 3.924 . . . . . . A 503 ALA HA . 25975 1 1061 . 1 1 114 114 ALA HB1 H 1 1.417 . . . . . . A 503 ALA HB1 . 25975 1 1062 . 1 1 114 114 ALA HB2 H 1 1.417 . . . . . . A 503 ALA HB2 . 25975 1 1063 . 1 1 114 114 ALA HB3 H 1 1.417 . . . . . . A 503 ALA HB3 . 25975 1 1064 . 1 1 114 114 ALA C C 13 177.986 . . . . . . A 503 ALA C . 25975 1 1065 . 1 1 114 114 ALA CA C 13 53.771 . . . . . . A 503 ALA CA . 25975 1 1066 . 1 1 114 114 ALA CB C 13 18.791 . . . . . . A 503 ALA CB . 25975 1 1067 . 1 1 114 114 ALA N N 15 122.298 . . . . . . A 503 ALA N . 25975 1 1068 . 1 1 115 115 ARG H H 1 8.050 . . . . . . A 504 ARG H . 25975 1 1069 . 1 1 115 115 ARG HA H 1 3.782 . . . . . . A 504 ARG HA . 25975 1 1070 . 1 1 115 115 ARG HB2 H 1 1.777 . . . . . . A 504 ARG HB2 . 25975 1 1071 . 1 1 115 115 ARG HB3 H 1 1.615 . . . . . . A 504 ARG HB3 . 25975 1 1072 . 1 1 115 115 ARG C C 13 176.796 . . . . . . A 504 ARG C . 25975 1 1073 . 1 1 115 115 ARG CA C 13 57.397 . . . . . . A 504 ARG CA . 25975 1 1074 . 1 1 115 115 ARG CB C 13 30.329 . . . . . . A 504 ARG CB . 25975 1 1075 . 1 1 115 115 ARG N N 15 118.387 . . . . . . A 504 ARG N . 25975 1 1076 . 1 1 116 116 GLN H H 1 8.094 . . . . . . A 505 GLN H . 25975 1 1077 . 1 1 116 116 GLN HA H 1 4.729 . . . . . . A 505 GLN HA . 25975 1 1078 . 1 1 116 116 GLN HB2 H 1 2.073 . . . . . . A 505 GLN HB2 . 25975 1 1079 . 1 1 116 116 GLN HB3 H 1 2.073 . . . . . . A 505 GLN HB3 . 25975 1 1080 . 1 1 116 116 GLN HG2 H 1 2.424 . . . . . . A 505 GLN HG2 . 25975 1 1081 . 1 1 116 116 GLN HG3 H 1 2.424 . . . . . . A 505 GLN HG3 . 25975 1 1082 . 1 1 116 116 GLN C C 13 177.193 . . . . . . A 505 GLN C . 25975 1 1083 . 1 1 116 116 GLN CA C 13 57.228 . . . . . . A 505 GLN CA . 25975 1 1084 . 1 1 116 116 GLN CB C 13 29.115 . . . . . . A 505 GLN CB . 25975 1 1085 . 1 1 116 116 GLN N N 15 119.977 . . . . . . A 505 GLN N . 25975 1 1086 . 1 1 117 117 ILE H H 1 8.079 . . . . . . A 506 ILE H . 25975 1 1087 . 1 1 117 117 ILE HA H 1 4.024 . . . . . . A 506 ILE HA . 25975 1 1088 . 1 1 117 117 ILE HB H 1 1.846 . . . . . . A 506 ILE HB . 25975 1 1089 . 1 1 117 117 ILE C C 13 177.411 . . . . . . A 506 ILE C . 25975 1 1090 . 1 1 117 117 ILE CA C 13 62.366 . . . . . . A 506 ILE CA . 25975 1 1091 . 1 1 117 117 ILE CB C 13 37.954 . . . . . . A 506 ILE CB . 25975 1 1092 . 1 1 117 117 ILE N N 15 121.055 . . . . . . A 506 ILE N . 25975 1 1093 . 1 1 118 118 GLY H H 1 8.412 . . . . . . A 507 GLY H . 25975 1 1094 . 1 1 118 118 GLY HA2 H 1 3.865 . . . . . . A 507 GLY HA2 . 25975 1 1095 . 1 1 118 118 GLY HA3 H 1 3.865 . . . . . . A 507 GLY HA3 . 25975 1 1096 . 1 1 118 118 GLY C C 13 174.601 . . . . . . A 507 GLY C . 25975 1 1097 . 1 1 118 118 GLY CA C 13 46.128 . . . . . . A 507 GLY CA . 25975 1 1098 . 1 1 118 118 GLY N N 15 110.948 . . . . . . A 507 GLY N . 25975 1 1099 . 1 1 119 119 GLU H H 1 8.256 . . . . . . A 508 GLU H . 25975 1 1100 . 1 1 119 119 GLU HA H 1 4.229 . . . . . . A 508 GLU HA . 25975 1 1101 . 1 1 119 119 GLU HB2 H 1 2.048 . . . . . . A 508 GLU HB2 . 25975 1 1102 . 1 1 119 119 GLU HB3 H 1 1.855 . . . . . . A 508 GLU HB3 . 25975 1 1103 . 1 1 119 119 GLU HG2 H 1 2.374 . . . . . . A 508 GLU HG2 . 25975 1 1104 . 1 1 119 119 GLU HG3 H 1 2.374 . . . . . . A 508 GLU HG3 . 25975 1 1105 . 1 1 119 119 GLU C C 13 176.867 . . . . . . A 508 GLU C . 25975 1 1106 . 1 1 119 119 GLU CA C 13 57.458 . . . . . . A 508 GLU CA . 25975 1 1107 . 1 1 119 119 GLU CB C 13 30.096 . . . . . . A 508 GLU CB . 25975 1 1108 . 1 1 119 119 GLU N N 15 120.252 . . . . . . A 508 GLU N . 25975 1 1109 . 1 1 120 120 ALA H H 1 8.177 . . . . . . A 509 ALA H . 25975 1 1110 . 1 1 120 120 ALA HA H 1 4.323 . . . . . . A 509 ALA HA . 25975 1 1111 . 1 1 120 120 ALA HB1 H 1 1.470 . . . . . . A 509 ALA HB1 . 25975 1 1112 . 1 1 120 120 ALA HB2 H 1 1.470 . . . . . . A 509 ALA HB2 . 25975 1 1113 . 1 1 120 120 ALA HB3 H 1 1.470 . . . . . . A 509 ALA HB3 . 25975 1 1114 . 1 1 120 120 ALA C C 13 177.758 . . . . . . A 509 ALA C . 25975 1 1115 . 1 1 120 120 ALA CA C 13 53.013 . . . . . . A 509 ALA CA . 25975 1 1116 . 1 1 120 120 ALA CB C 13 19.054 . . . . . . A 509 ALA CB . 25975 1 1117 . 1 1 120 120 ALA N N 15 124.066 . . . . . . A 509 ALA N . 25975 1 1118 . 1 1 121 121 ARG H H 1 8.218 . . . . . . A 510 ARG H . 25975 1 1119 . 1 1 121 121 ARG HA H 1 4.314 . . . . . . A 510 ARG HA . 25975 1 1120 . 1 1 121 121 ARG HB2 H 1 2.049 . . . . . . A 510 ARG HB2 . 25975 1 1121 . 1 1 121 121 ARG HB3 H 1 2.049 . . . . . . A 510 ARG HB3 . 25975 1 1122 . 1 1 121 121 ARG HG2 H 1 1.866 . . . . . . A 510 ARG HG2 . 25975 1 1123 . 1 1 121 121 ARG HG3 H 1 1.765 . . . . . . A 510 ARG HG3 . 25975 1 1124 . 1 1 121 121 ARG C C 13 175.770 . . . . . . A 510 ARG C . 25975 1 1125 . 1 1 121 121 ARG CA C 13 56.569 . . . . . . A 510 ARG CA . 25975 1 1126 . 1 1 121 121 ARG CB C 13 30.565 . . . . . . A 510 ARG CB . 25975 1 1127 . 1 1 121 121 ARG N N 15 119.208 . . . . . . A 510 ARG N . 25975 1 1128 . 1 1 122 122 ALA H H 1 8.441 . . . . . . A 511 ALA H . 25975 1 1129 . 1 1 122 122 ALA C C 13 177.589 . . . . . . A 511 ALA C . 25975 1 1130 . 1 1 122 122 ALA CA C 13 52.707 . . . . . . A 511 ALA CA . 25975 1 1131 . 1 1 122 122 ALA CB C 13 19.244 . . . . . . A 511 ALA CB . 25975 1 1132 . 1 1 122 122 ALA N N 15 125.888 . . . . . . A 511 ALA N . 25975 1 1133 . 1 1 123 123 GLN H H 1 8.376 . . . . . . A 512 GLN H . 25975 1 1134 . 1 1 123 123 GLN HA H 1 4.373 . . . . . . A 512 GLN HA . 25975 1 1135 . 1 1 123 123 GLN HB2 H 1 2.068 . . . . . . A 512 GLN HB2 . 25975 1 1136 . 1 1 123 123 GLN HB3 H 1 2.068 . . . . . . A 512 GLN HB3 . 25975 1 1137 . 1 1 123 123 GLN HG2 H 1 2.626 . . . . . . A 512 GLN HG2 . 25975 1 1138 . 1 1 123 123 GLN HG3 H 1 2.626 . . . . . . A 512 GLN HG3 . 25975 1 1139 . 1 1 123 123 GLN C C 13 175.828 . . . . . . A 512 GLN C . 25975 1 1140 . 1 1 123 123 GLN CA C 13 55.972 . . . . . . A 512 GLN CA . 25975 1 1141 . 1 1 123 123 GLN CB C 13 29.605 . . . . . . A 512 GLN CB . 25975 1 1142 . 1 1 123 123 GLN N N 15 119.628 . . . . . . A 512 GLN N . 25975 1 1143 . 1 1 124 124 ARG H H 1 8.314 . . . . . . A 513 ARG H . 25975 1 1144 . 1 1 124 124 ARG HA H 1 4.348 . . . . . . A 513 ARG HA . 25975 1 1145 . 1 1 124 124 ARG HB2 H 1 1.859 . . . . . . A 513 ARG HB2 . 25975 1 1146 . 1 1 124 124 ARG HB3 H 1 1.859 . . . . . . A 513 ARG HB3 . 25975 1 1147 . 1 1 124 124 ARG HG2 H 1 1.927 . . . . . . A 513 ARG HG2 . 25975 1 1148 . 1 1 124 124 ARG HG3 H 1 1.704 . . . . . . A 513 ARG HG3 . 25975 1 1149 . 1 1 124 124 ARG C C 13 175.344 . . . . . . A 513 ARG C . 25975 1 1150 . 1 1 124 124 ARG CA C 13 56.302 . . . . . . A 513 ARG CA . 25975 1 1151 . 1 1 124 124 ARG CB C 13 30.748 . . . . . . A 513 ARG CB . 25975 1 1152 . 1 1 124 124 ARG N N 15 122.345 . . . . . . A 513 ARG N . 25975 1 1153 . 1 1 125 125 GLN H H 1 8.089 . . . . . . A 514 GLN H . 25975 1 1154 . 1 1 125 125 GLN HA H 1 4.223 . . . . . . A 514 GLN HA . 25975 1 1155 . 1 1 125 125 GLN HB2 H 1 1.979 . . . . . . A 514 GLN HB2 . 25975 1 1156 . 1 1 125 125 GLN HB3 H 1 1.979 . . . . . . A 514 GLN HB3 . 25975 1 1157 . 1 1 125 125 GLN HG2 H 1 2.355 . . . . . . A 514 GLN HG2 . 25975 1 1158 . 1 1 125 125 GLN HG3 H 1 2.355 . . . . . . A 514 GLN HG3 . 25975 1 1159 . 1 1 125 125 GLN HE21 H 1 6.877 . . . . . . A 514 GLN HE21 . 25975 1 1160 . 1 1 125 125 GLN HE22 H 1 7.510 . . . . . . A 514 GLN HE22 . 25975 1 1161 . 1 1 125 125 GLN C C 13 180.468 . . . . . . A 514 GLN C . 25975 1 1162 . 1 1 125 125 GLN CA C 13 57.557 . . . . . . A 514 GLN CA . 25975 1 1163 . 1 1 125 125 GLN CB C 13 30.558 . . . . . . A 514 GLN CB . 25975 1 1164 . 1 1 125 125 GLN N N 15 126.630 . . . . . . A 514 GLN N . 25975 1 1165 . 1 1 125 125 GLN NE2 N 15 111.927 . . . . . . A 514 GLN NE2 . 25975 1 stop_ save_