data_16129 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16129 _Entry.Title ; The NMR structure of the TC10 and Cdc42 interacting domain of CIP4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-01-22 _Entry.Accession_date 2009-01-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hiroyuki Kumeta . . . 16129 2 Daisuke Kanoh . . . 16129 3 Yoshihiro Kobashigawa . . . 16129 4 Fuyuhiko Inagaki . . . 16129 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 . 'not applicable' 'not applicable' . 16129 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Cdc42 . 16129 CIP4 . 16129 coiled-coil . 16129 TC10 . 16129 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16129 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 16129 '15N chemical shifts' 110 16129 '1H chemical shifts' 728 16129 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 3 . . 2010-05-27 2009-01-22 update BMRB 'edit entity/assembly name' 16129 2 . . 2009-05-21 2009-01-22 update BMRB 'complete entry citation' 16129 1 . . 2009-05-06 2009-01-22 original author 'original release' 16129 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KE4 'BMRB Entry Tracking System' 16129 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16129 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19387844 _Citation.Full_citation . _Citation.Title 'The NMR structure of the TC10 and Cdc42 interacting domain of CIP4' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 2 _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 113 _Citation.Page_last 118 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yoshihiro Kobashigawa . . . 16129 1 2 Hiroyuki Kumeta . . . 16129 1 3 Daisuke Kanoh . . . 16129 1 4 Fuyuhiko Inagaki . . . 16129 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cdc42 16129 1 CIP4 16129 1 coiled-coil 16129 1 TC10 16129 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16129 _Assembly.ID 1 _Assembly.Name CIP4 _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 'TC10 and Cdc42' 1 $entity A . yes native no no . . . 16129 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16129 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TC10 and Cdc42' _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 ; GPHMTEDFSHLPPEQQRKRL QQQLEERSRELQKEVDQREA LKKMKDVYEKTPQMGDPASL EPQIAETLSNIERLKLEVQK YEAWLAEAESRVLSNRGD ; _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 98 _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 11534.024 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KE4 . "The Nmr Structure Of The Tc10 And Cdc42 Interacting Domain Of Cip4" . . . . . 100.00 98 100.00 100.00 1.10e-62 . . . . 16129 1 2 no DBJ BAE00629 . "unnamed protein product [Macaca fascicularis]" . . . . . 96.94 437 97.89 100.00 1.76e-54 . . . . 16129 1 3 no DBJ BAF80144 . "salt-tolerant protein [Homo sapiens]" . . . . . 96.94 545 98.95 100.00 4.99e-54 . . . . 16129 1 4 no DBJ BAG36103 . "unnamed protein product [Homo sapiens]" . . . . . 96.94 545 98.95 100.00 5.96e-54 . . . . 16129 1 5 no DBJ BAK63850 . "CDC42-interacting protein 4 [Pan troglodytes]" . . . . . 96.94 437 97.89 100.00 2.15e-54 . . . . 16129 1 6 no EMBL CAA04062 . "Cdc42-interacting protein 4 [Homo sapiens]" . . . . . 96.94 545 98.95 100.00 5.96e-54 . . . . 16129 1 7 no EMBL CAG38751 . "TRIP10 [Homo sapiens]" . . . . . 96.94 545 98.95 100.00 7.80e-54 . . . . 16129 1 8 no GB AAH13002 . "Thyroid hormone receptor interactor 10 [Homo sapiens]" . . . . . 96.94 545 98.95 100.00 5.96e-54 . . . . 16129 1 9 no GB AAK77492 . "FELIC [Homo sapiens]" . . . . . 96.94 593 97.89 98.95 1.57e-52 . . . . 16129 1 10 no GB AAL89588 . "truncated Cdc42 interaction protein 4 [Homo sapiens]" . . . . . 96.94 456 98.95 100.00 1.28e-54 . . . . 16129 1 11 no GB AAM46851 . "Cdc42-interaction protein 4 long isoform [Homo sapiens]" . . . . . 100.00 601 96.94 97.96 7.44e-54 . . . . 16129 1 12 no GB AAP35344 . "thyroid hormone receptor interactor 10 [Homo sapiens]" . . . . . 96.94 545 98.95 100.00 5.96e-54 . . . . 16129 1 13 no REF NP_001275891 . "cdc42-interacting protein 4 isoform 1 [Homo sapiens]" . . . . . 100.00 601 96.94 97.96 7.44e-54 . . . . 16129 1 14 no REF NP_001275892 . "cdc42-interacting protein 4 isoform 3 [Homo sapiens]" . . . . . 96.94 593 98.95 100.00 2.14e-53 . . . . 16129 1 15 no REF NP_004231 . "cdc42-interacting protein 4 isoform 2 [Homo sapiens]" . . . . . 96.94 545 98.95 100.00 5.96e-54 . . . . 16129 1 16 no REF XP_001092276 . "PREDICTED: cdc42-interacting protein 4-like [Macaca mulatta]" . . . . . 96.94 437 97.89 100.00 1.76e-54 . . . . 16129 1 17 no REF XP_003316087 . "PREDICTED: cdc42-interacting protein 4 isoform X1 [Pan troglodytes]" . . . . . 96.94 545 98.95 100.00 5.54e-54 . . . . 16129 1 18 no SP Q15642 . "RecName: Full=Cdc42-interacting protein 4; AltName: Full=Protein Felic; AltName: Full=Salt tolerant protein; Short=hSTP; AltNam" . . . . . 100.00 601 96.94 97.96 7.44e-54 . . . . 16129 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 328 GLY . 16129 1 2 329 PRO . 16129 1 3 330 HIS . 16129 1 4 331 MET . 16129 1 5 332 THR . 16129 1 6 333 GLU . 16129 1 7 334 ASP . 16129 1 8 335 PHE . 16129 1 9 336 SER . 16129 1 10 337 HIS . 16129 1 11 338 LEU . 16129 1 12 339 PRO . 16129 1 13 340 PRO . 16129 1 14 341 GLU . 16129 1 15 342 GLN . 16129 1 16 343 GLN . 16129 1 17 344 ARG . 16129 1 18 345 LYS . 16129 1 19 346 ARG . 16129 1 20 347 LEU . 16129 1 21 348 GLN . 16129 1 22 349 GLN . 16129 1 23 350 GLN . 16129 1 24 351 LEU . 16129 1 25 352 GLU . 16129 1 26 353 GLU . 16129 1 27 354 ARG . 16129 1 28 355 SER . 16129 1 29 356 ARG . 16129 1 30 357 GLU . 16129 1 31 358 LEU . 16129 1 32 359 GLN . 16129 1 33 360 LYS . 16129 1 34 361 GLU . 16129 1 35 362 VAL . 16129 1 36 363 ASP . 16129 1 37 364 GLN . 16129 1 38 365 ARG . 16129 1 39 366 GLU . 16129 1 40 367 ALA . 16129 1 41 368 LEU . 16129 1 42 369 LYS . 16129 1 43 370 LYS . 16129 1 44 371 MET . 16129 1 45 372 LYS . 16129 1 46 373 ASP . 16129 1 47 374 VAL . 16129 1 48 375 TYR . 16129 1 49 376 GLU . 16129 1 50 377 LYS . 16129 1 51 378 THR . 16129 1 52 379 PRO . 16129 1 53 380 GLN . 16129 1 54 381 MET . 16129 1 55 382 GLY . 16129 1 56 383 ASP . 16129 1 57 384 PRO . 16129 1 58 385 ALA . 16129 1 59 386 SER . 16129 1 60 387 LEU . 16129 1 61 388 GLU . 16129 1 62 389 PRO . 16129 1 63 390 GLN . 16129 1 64 391 ILE . 16129 1 65 392 ALA . 16129 1 66 393 GLU . 16129 1 67 394 THR . 16129 1 68 395 LEU . 16129 1 69 396 SER . 16129 1 70 397 ASN . 16129 1 71 398 ILE . 16129 1 72 399 GLU . 16129 1 73 400 ARG . 16129 1 74 401 LEU . 16129 1 75 402 LYS . 16129 1 76 403 LEU . 16129 1 77 404 GLU . 16129 1 78 405 VAL . 16129 1 79 406 GLN . 16129 1 80 407 LYS . 16129 1 81 408 TYR . 16129 1 82 409 GLU . 16129 1 83 410 ALA . 16129 1 84 411 TRP . 16129 1 85 412 LEU . 16129 1 86 413 ALA . 16129 1 87 414 GLU . 16129 1 88 415 ALA . 16129 1 89 416 GLU . 16129 1 90 417 SER . 16129 1 91 418 ARG . 16129 1 92 419 VAL . 16129 1 93 420 LEU . 16129 1 94 421 SER . 16129 1 95 422 ASN . 16129 1 96 423 ARG . 16129 1 97 424 GLY . 16129 1 98 425 ASP . 16129 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 16129 1 . PRO 2 2 16129 1 . HIS 3 3 16129 1 . MET 4 4 16129 1 . THR 5 5 16129 1 . GLU 6 6 16129 1 . ASP 7 7 16129 1 . PHE 8 8 16129 1 . SER 9 9 16129 1 . HIS 10 10 16129 1 . LEU 11 11 16129 1 . PRO 12 12 16129 1 . PRO 13 13 16129 1 . GLU 14 14 16129 1 . GLN 15 15 16129 1 . GLN 16 16 16129 1 . ARG 17 17 16129 1 . LYS 18 18 16129 1 . ARG 19 19 16129 1 . LEU 20 20 16129 1 . GLN 21 21 16129 1 . GLN 22 22 16129 1 . GLN 23 23 16129 1 . LEU 24 24 16129 1 . GLU 25 25 16129 1 . GLU 26 26 16129 1 . ARG 27 27 16129 1 . SER 28 28 16129 1 . ARG 29 29 16129 1 . GLU 30 30 16129 1 . LEU 31 31 16129 1 . GLN 32 32 16129 1 . LYS 33 33 16129 1 . GLU 34 34 16129 1 . VAL 35 35 16129 1 . ASP 36 36 16129 1 . GLN 37 37 16129 1 . ARG 38 38 16129 1 . GLU 39 39 16129 1 . ALA 40 40 16129 1 . LEU 41 41 16129 1 . LYS 42 42 16129 1 . LYS 43 43 16129 1 . MET 44 44 16129 1 . LYS 45 45 16129 1 . ASP 46 46 16129 1 . VAL 47 47 16129 1 . TYR 48 48 16129 1 . GLU 49 49 16129 1 . LYS 50 50 16129 1 . THR 51 51 16129 1 . PRO 52 52 16129 1 . GLN 53 53 16129 1 . MET 54 54 16129 1 . GLY 55 55 16129 1 . ASP 56 56 16129 1 . PRO 57 57 16129 1 . ALA 58 58 16129 1 . SER 59 59 16129 1 . LEU 60 60 16129 1 . GLU 61 61 16129 1 . PRO 62 62 16129 1 . GLN 63 63 16129 1 . ILE 64 64 16129 1 . ALA 65 65 16129 1 . GLU 66 66 16129 1 . THR 67 67 16129 1 . LEU 68 68 16129 1 . SER 69 69 16129 1 . ASN 70 70 16129 1 . ILE 71 71 16129 1 . GLU 72 72 16129 1 . ARG 73 73 16129 1 . LEU 74 74 16129 1 . LYS 75 75 16129 1 . LEU 76 76 16129 1 . GLU 77 77 16129 1 . VAL 78 78 16129 1 . GLN 79 79 16129 1 . LYS 80 80 16129 1 . TYR 81 81 16129 1 . GLU 82 82 16129 1 . ALA 83 83 16129 1 . TRP 84 84 16129 1 . LEU 85 85 16129 1 . ALA 86 86 16129 1 . GLU 87 87 16129 1 . ALA 88 88 16129 1 . GLU 89 89 16129 1 . SER 90 90 16129 1 . ARG 91 91 16129 1 . VAL 92 92 16129 1 . LEU 93 93 16129 1 . SER 94 94 16129 1 . ASN 95 95 16129 1 . ARG 96 96 16129 1 . GLY 97 97 16129 1 . ASP 98 98 16129 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 16129 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16129 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 16129 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGB1HPS . . . . . . 16129 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 16129 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . . . . mM . . . . 16129 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16129 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16129 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16129 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 16129 _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' 0.15 . M 16129 1 pH 6.3 . pH 16129 1 pressure 1 . atm 16129 1 temperature 298 . K 16129 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16129 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16129 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16129 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16129 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16129 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16129 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16129 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16129 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16129 3 'data analysis' 16129 3 'peak picking' 16129 3 refinement 16129 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16129 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16129 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16129 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_pegasus600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode pegasus600 _NMR_spectrometer.Entry_ID 16129 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_hidari800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode hidari800 _NMR_spectrometer.Entry_ID 16129 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_migi800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode migi800 _NMR_spectrometer.Entry_ID 16129 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_libra600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode libra600 _NMR_spectrometer.Entry_ID 16129 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16129 _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 pegasus600 Varian INOVA . 600 . . . 16129 1 2 hidari800 Varian INOVA . 800 . . . 16129 1 3 migi800 Varian INOVA . 800 . . . 16129 1 4 libra600 Varian INOVA . 600 . . . 16129 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 16129 _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 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $migi800 . . . . . . . . . . . . . . . . 16129 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $migi800 . . . . . . . . . . . . . . . . 16129 1 3 '3D HNCO' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 5 '3D HNCA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 7 '3D HNCACB' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 8 '3D HN(CA)HA' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 4 $libra600 . . . . . . . . . . . . . . . . 16129 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $migi800 . . . . . . . . . . . . . . . . 16129 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 16129 1 15 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $migi800 . . . . . . . . . . . . . . . . 16129 1 16 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $migi800 . . . . . . . . . . . . . . . . 16129 1 17 '3D 1H-13C NOESY (Aromatic)' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $hidari800 . . . . . . . . . . . . . . . . 16129 1 18 '3D HCCH-TOCSY (Aromatic)' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $migi800 . . . . . . . . . . . . . . . . 16129 1 19 '2D 1H-13C HSQC (Aromatic)' no . . . . . . . . . . 1 $13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $migi800 . . . . . . . . . . . . . . . . 16129 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 16129 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16129 1 H 1 water protons . . . . ppm 4.78 internal direct 1.0 . . . . . . . . . 16129 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16129 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 16129 _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' . . . 16129 1 2 '2D 1H-13C HSQC' . . . 16129 1 13 '3D 1H-15N NOESY' . . . 16129 1 14 '3D 1H-13C NOESY' . . . 16129 1 19 '2D 1H-13C HSQC (Aromatic)' . . . 16129 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.966 0.000 . . . . . . 328 G QA . 16129 1 2 . 1 1 1 1 GLY HA3 H 1 3.966 0.000 . . . . . . 328 G QA . 16129 1 3 . 1 1 1 1 GLY CA C 13 43.324 0.000 . . . . . . 328 G CA . 16129 1 4 . 1 1 2 2 PRO HA H 1 4.422 0.000 . . . . . . 329 P HA . 16129 1 5 . 1 1 2 2 PRO HB2 H 1 1.826 0.000 . . . . . . 329 P HB2 . 16129 1 6 . 1 1 2 2 PRO HB3 H 1 2.248 0.000 . . . . . . 329 P HB3 . 16129 1 7 . 1 1 2 2 PRO HD2 H 1 3.513 0.000 . . . . . . 329 P HD2 . 16129 1 8 . 1 1 2 2 PRO HD3 H 1 3.540 0.000 . . . . . . 329 P HD3 . 16129 1 9 . 1 1 2 2 PRO HG2 H 1 1.903 0.000 . . . . . . 329 P HG2 . 16129 1 10 . 1 1 2 2 PRO HG3 H 1 1.977 0.000 . . . . . . 329 P HG3 . 16129 1 11 . 1 1 2 2 PRO C C 13 176.499 0.000 . . . . . . 329 P C . 16129 1 12 . 1 1 2 2 PRO CA C 13 62.941 0.000 . . . . . . 329 P CA . 16129 1 13 . 1 1 2 2 PRO CB C 13 32.276 0.003 . . . . . . 329 P CB . 16129 1 14 . 1 1 2 2 PRO CD C 13 49.570 0.006 . . . . . . 329 P CD . 16129 1 15 . 1 1 2 2 PRO CG C 13 26.942 0.001 . . . . . . 329 P CG . 16129 1 16 . 1 1 3 3 HIS H H 1 8.582 0.000 . . . . . . 330 H HN . 16129 1 17 . 1 1 3 3 HIS HA H 1 4.664 0.000 . . . . . . 330 H HA . 16129 1 18 . 1 1 3 3 HIS HB2 H 1 3.115 0.000 . . . . . . 330 H HB2 . 16129 1 19 . 1 1 3 3 HIS HB3 H 1 3.166 0.000 . . . . . . 330 H HB3 . 16129 1 20 . 1 1 3 3 HIS HD2 H 1 7.148 0.000 . . . . . . 330 H HD2 . 16129 1 21 . 1 1 3 3 HIS HE1 H 1 8.243 0.000 . . . . . . 330 H HE1 . 16129 1 22 . 1 1 3 3 HIS C C 13 174.593 0.000 . . . . . . 330 H C . 16129 1 23 . 1 1 3 3 HIS CA C 13 55.598 0.000 . . . . . . 330 H CA . 16129 1 24 . 1 1 3 3 HIS CB C 13 29.774 0.001 . . . . . . 330 H CB . 16129 1 25 . 1 1 3 3 HIS CD2 C 13 119.596 0.000 . . . . . . 330 H CD2 . 16129 1 26 . 1 1 3 3 HIS CE1 C 13 137.312 0.000 . . . . . . 330 H CE1 . 16129 1 27 . 1 1 3 3 HIS N N 15 119.507 0.000 . . . . . . 330 H N . 16129 1 28 . 1 1 4 4 MET H H 1 8.346 0.000 . . . . . . 331 M HN . 16129 1 29 . 1 1 4 4 MET HA H 1 4.109 0.000 . . . . . . 331 M HA . 16129 1 30 . 1 1 4 4 MET HB2 H 1 1.841 0.000 . . . . . . 331 M HB2 . 16129 1 31 . 1 1 4 4 MET HB3 H 1 1.879 0.000 . . . . . . 331 M HB3 . 16129 1 32 . 1 1 4 4 MET HE1 H 1 1.971 0.000 . . . . . . 331 M QE . 16129 1 33 . 1 1 4 4 MET HE2 H 1 1.971 0.000 . . . . . . 331 M QE . 16129 1 34 . 1 1 4 4 MET HE3 H 1 1.971 0.000 . . . . . . 331 M QE . 16129 1 35 . 1 1 4 4 MET HG2 H 1 2.301 0.000 . . . . . . 331 M HG2 . 16129 1 36 . 1 1 4 4 MET HG3 H 1 2.355 0.000 . . . . . . 331 M HG3 . 16129 1 37 . 1 1 4 4 MET C C 13 175.846 0.000 . . . . . . 331 M C . 16129 1 38 . 1 1 4 4 MET CA C 13 55.597 0.000 . . . . . . 331 M CA . 16129 1 39 . 1 1 4 4 MET CB C 13 33.053 0.001 . . . . . . 331 M CB . 16129 1 40 . 1 1 4 4 MET CE C 13 16.936 0.000 . . . . . . 331 M CE . 16129 1 41 . 1 1 4 4 MET CG C 13 31.779 0.002 . . . . . . 331 M CG . 16129 1 42 . 1 1 4 4 MET N N 15 121.986 0.000 . . . . . . 331 M N . 16129 1 43 . 1 1 5 5 THR H H 1 7.807 0.000 . . . . . . 332 T HN . 16129 1 44 . 1 1 5 5 THR HA H 1 4.360 0.000 . . . . . . 332 T HA . 16129 1 45 . 1 1 5 5 THR HB H 1 4.262 0.000 . . . . . . 332 T HB . 16129 1 46 . 1 1 5 5 THR HG21 H 1 1.198 0.000 . . . . . . 332 T QG2 . 16129 1 47 . 1 1 5 5 THR HG22 H 1 1.198 0.000 . . . . . . 332 T QG2 . 16129 1 48 . 1 1 5 5 THR HG23 H 1 1.198 0.000 . . . . . . 332 T QG2 . 16129 1 49 . 1 1 5 5 THR C C 13 175.049 0.000 . . . . . . 332 T C . 16129 1 50 . 1 1 5 5 THR CA C 13 61.520 0.000 . . . . . . 332 T CA . 16129 1 51 . 1 1 5 5 THR CB C 13 70.177 0.000 . . . . . . 332 T CB . 16129 1 52 . 1 1 5 5 THR CG2 C 13 22.118 0.000 . . . . . . 332 T CG2 . 16129 1 53 . 1 1 5 5 THR N N 15 114.038 0.000 . . . . . . 332 T N . 16129 1 54 . 1 1 6 6 GLU H H 1 8.562 0.000 . . . . . . 333 E HN . 16129 1 55 . 1 1 6 6 GLU HA H 1 4.066 0.000 . . . . . . 333 E HA . 16129 1 56 . 1 1 6 6 GLU HB2 H 1 1.891 0.000 . . . . . . 333 E HB2 . 16129 1 57 . 1 1 6 6 GLU HB3 H 1 1.960 0.000 . . . . . . 333 E HB3 . 16129 1 58 . 1 1 6 6 GLU HG2 H 1 2.164 0.000 . . . . . . 333 E QG . 16129 1 59 . 1 1 6 6 GLU HG3 H 1 2.164 0.000 . . . . . . 333 E QG . 16129 1 60 . 1 1 6 6 GLU CA C 13 57.343 0.000 . . . . . . 333 E CA . 16129 1 61 . 1 1 6 6 GLU CB C 13 30.239 0.002 . . . . . . 333 E CB . 16129 1 62 . 1 1 6 6 GLU CG C 13 36.376 0.000 . . . . . . 333 E CG . 16129 1 63 . 1 1 6 6 GLU N N 15 122.775 0.000 . . . . . . 333 E N . 16129 1 64 . 1 1 7 7 ASP H H 1 7.899 0.000 . . . . . . 334 D HN . 16129 1 65 . 1 1 7 7 ASP HA H 1 4.192 0.000 . . . . . . 334 D HA . 16129 1 66 . 1 1 7 7 ASP HB2 H 1 2.242 0.000 . . . . . . 334 D QB . 16129 1 67 . 1 1 7 7 ASP HB3 H 1 2.242 0.000 . . . . . . 334 D QB . 16129 1 68 . 1 1 7 7 ASP CA C 13 53.656 0.000 . . . . . . 334 D CA . 16129 1 69 . 1 1 7 7 ASP CB C 13 39.853 0.000 . . . . . . 334 D CB . 16129 1 70 . 1 1 8 8 PHE H H 1 7.999 0.000 . . . . . . 335 F HN . 16129 1 71 . 1 1 8 8 PHE HA H 1 4.242 0.000 . . . . . . 335 F HA . 16129 1 72 . 1 1 8 8 PHE HB2 H 1 3.144 0.000 . . . . . . 335 F QB . 16129 1 73 . 1 1 8 8 PHE HB3 H 1 3.144 0.000 . . . . . . 335 F QB . 16129 1 74 . 1 1 8 8 PHE HD1 H 1 7.087 0.000 . . . . . . 335 F QD . 16129 1 75 . 1 1 8 8 PHE HD2 H 1 7.087 0.000 . . . . . . 335 F QD . 16129 1 76 . 1 1 8 8 PHE HE1 H 1 7.299 0.000 . . . . . . 335 F QE . 16129 1 77 . 1 1 8 8 PHE HE2 H 1 7.299 0.000 . . . . . . 335 F QE . 16129 1 78 . 1 1 8 8 PHE HZ H 1 7.211 0.000 . . . . . . 335 F HZ . 16129 1 79 . 1 1 8 8 PHE C C 13 176.420 0.000 . . . . . . 335 F C . 16129 1 80 . 1 1 8 8 PHE CA C 13 59.462 0.000 . . . . . . 335 F CA . 16129 1 81 . 1 1 8 8 PHE CB C 13 37.800 0.000 . . . . . . 335 F CB . 16129 1 82 . 1 1 8 8 PHE CD1 C 13 131.186 0.000 . . . . . . 335 F CD1 . 16129 1 83 . 1 1 8 8 PHE CE1 C 13 132.107 0.000 . . . . . . 335 F CE1 . 16129 1 84 . 1 1 8 8 PHE CZ C 13 129.608 0.000 . . . . . . 335 F CZ . 16129 1 85 . 1 1 8 8 PHE N N 15 116.782 0.000 . . . . . . 335 F N . 16129 1 86 . 1 1 9 9 SER H H 1 8.158 0.000 . . . . . . 336 S HN . 16129 1 87 . 1 1 9 9 SER HA H 1 3.903 0.000 . . . . . . 336 S HA . 16129 1 88 . 1 1 9 9 SER HB2 H 1 3.707 0.000 . . . . . . 336 S HB2 . 16129 1 89 . 1 1 9 9 SER HB3 H 1 3.868 0.000 . . . . . . 336 S HB3 . 16129 1 90 . 1 1 9 9 SER C C 13 174.468 0.000 . . . . . . 336 S C . 16129 1 91 . 1 1 9 9 SER CA C 13 60.819 0.000 . . . . . . 336 S CA . 16129 1 92 . 1 1 9 9 SER CB C 13 62.793 0.002 . . . . . . 336 S CB . 16129 1 93 . 1 1 9 9 SER N N 15 113.010 0.000 . . . . . . 336 S N . 16129 1 94 . 1 1 10 10 HIS H H 1 8.180 0.000 . . . . . . 337 H HN . 16129 1 95 . 1 1 10 10 HIS HA H 1 4.650 0.000 . . . . . . 337 H HA . 16129 1 96 . 1 1 10 10 HIS HB2 H 1 3.167 0.000 . . . . . . 337 H QB . 16129 1 97 . 1 1 10 10 HIS HB3 H 1 3.167 0.000 . . . . . . 337 H QB . 16129 1 98 . 1 1 10 10 HIS HD2 H 1 7.128 0.000 . . . . . . 337 H HD2 . 16129 1 99 . 1 1 10 10 HIS HE1 H 1 8.104 0.000 . . . . . . 337 H HE1 . 16129 1 100 . 1 1 10 10 HIS C C 13 175.014 0.000 . . . . . . 337 H C . 16129 1 101 . 1 1 10 10 HIS CA C 13 55.955 0.000 . . . . . . 337 H CA . 16129 1 102 . 1 1 10 10 HIS CB C 13 29.393 0.000 . . . . . . 337 H CB . 16129 1 103 . 1 1 10 10 HIS CD2 C 13 118.871 0.000 . . . . . . 337 H CD2 . 16129 1 104 . 1 1 10 10 HIS CE1 C 13 137.692 0.000 . . . . . . 337 H CE1 . 16129 1 105 . 1 1 10 10 HIS N N 15 117.337 0.000 . . . . . . 337 H N . 16129 1 106 . 1 1 11 11 LEU H H 1 7.338 0.000 . . . . . . 338 L HN . 16129 1 107 . 1 1 11 11 LEU HA H 1 4.562 0.000 . . . . . . 338 L HA . 16129 1 108 . 1 1 11 11 LEU HB2 H 1 1.267 0.000 . . . . . . 338 L HB2 . 16129 1 109 . 1 1 11 11 LEU HB3 H 1 1.630 0.000 . . . . . . 338 L HB3 . 16129 1 110 . 1 1 11 11 LEU HD11 H 1 0.819 0.000 . . . . . . 338 L QD1 . 16129 1 111 . 1 1 11 11 LEU HD12 H 1 0.819 0.000 . . . . . . 338 L QD1 . 16129 1 112 . 1 1 11 11 LEU HD13 H 1 0.819 0.000 . . . . . . 338 L QD1 . 16129 1 113 . 1 1 11 11 LEU HD21 H 1 0.834 0.000 . . . . . . 338 L QD2 . 16129 1 114 . 1 1 11 11 LEU HD22 H 1 0.834 0.000 . . . . . . 338 L QD2 . 16129 1 115 . 1 1 11 11 LEU HD23 H 1 0.834 0.000 . . . . . . 338 L QD2 . 16129 1 116 . 1 1 11 11 LEU HG H 1 1.222 0.000 . . . . . . 338 L HG . 16129 1 117 . 1 1 11 11 LEU CA C 13 52.504 0.000 . . . . . . 338 L CA . 16129 1 118 . 1 1 11 11 LEU CB C 13 41.709 0.005 . . . . . . 338 L CB . 16129 1 119 . 1 1 11 11 LEU CD1 C 13 26.175 0.000 . . . . . . 338 L CD1 . 16129 1 120 . 1 1 11 11 LEU CD2 C 13 22.203 0.000 . . . . . . 338 L CD2 . 16129 1 121 . 1 1 11 11 LEU CG C 13 26.241 0.000 . . . . . . 338 L CG . 16129 1 122 . 1 1 11 11 LEU N N 15 122.137 0.000 . . . . . . 338 L N . 16129 1 123 . 1 1 12 12 PRO HA H 1 4.749 0.000 . . . . . . 339 P HA . 16129 1 124 . 1 1 12 12 PRO HB2 H 1 1.972 0.000 . . . . . . 339 P HB2 . 16129 1 125 . 1 1 12 12 PRO HB3 H 1 2.571 0.000 . . . . . . 339 P HB3 . 16129 1 126 . 1 1 12 12 PRO HD2 H 1 3.466 0.000 . . . . . . 339 P HD2 . 16129 1 127 . 1 1 12 12 PRO HD3 H 1 3.923 0.000 . . . . . . 339 P HD3 . 16129 1 128 . 1 1 12 12 PRO HG2 H 1 2.092 0.000 . . . . . . 339 P HG2 . 16129 1 129 . 1 1 12 12 PRO HG3 H 1 2.149 0.000 . . . . . . 339 P HG3 . 16129 1 130 . 1 1 12 12 PRO CA C 13 61.693 0.000 . . . . . . 339 P CA . 16129 1 131 . 1 1 12 12 PRO CB C 13 30.993 0.003 . . . . . . 339 P CB . 16129 1 132 . 1 1 12 12 PRO CD C 13 50.214 0.012 . . . . . . 339 P CD . 16129 1 133 . 1 1 12 12 PRO CG C 13 28.228 0.009 . . . . . . 339 P CG . 16129 1 134 . 1 1 13 13 PRO HA H 1 4.232 0.000 . . . . . . 340 P HA . 16129 1 135 . 1 1 13 13 PRO HB2 H 1 2.025 0.000 . . . . . . 340 P HB2 . 16129 1 136 . 1 1 13 13 PRO HB3 H 1 2.314 0.000 . . . . . . 340 P HB3 . 16129 1 137 . 1 1 13 13 PRO HD2 H 1 3.828 0.000 . . . . . . 340 P HD2 . 16129 1 138 . 1 1 13 13 PRO HD3 H 1 3.913 0.000 . . . . . . 340 P HD3 . 16129 1 139 . 1 1 13 13 PRO HG2 H 1 2.021 0.000 . . . . . . 340 P HG2 . 16129 1 140 . 1 1 13 13 PRO HG3 H 1 2.203 0.000 . . . . . . 340 P HG3 . 16129 1 141 . 1 1 13 13 PRO C C 13 177.977 0.000 . . . . . . 340 P C . 16129 1 142 . 1 1 13 13 PRO CA C 13 66.451 0.000 . . . . . . 340 P CA . 16129 1 143 . 1 1 13 13 PRO CB C 13 32.389 0.003 . . . . . . 340 P CB . 16129 1 144 . 1 1 13 13 PRO CD C 13 50.323 0.008 . . . . . . 340 P CD . 16129 1 145 . 1 1 13 13 PRO CG C 13 27.644 0.003 . . . . . . 340 P CG . 16129 1 146 . 1 1 14 14 GLU H H 1 9.480 0.000 . . . . . . 341 E HN . 16129 1 147 . 1 1 14 14 GLU HA H 1 4.084 0.000 . . . . . . 341 E HA . 16129 1 148 . 1 1 14 14 GLU HB2 H 1 2.024 0.000 . . . . . . 341 E HB2 . 16129 1 149 . 1 1 14 14 GLU HB3 H 1 2.102 0.000 . . . . . . 341 E HB3 . 16129 1 150 . 1 1 14 14 GLU HG2 H 1 2.361 0.000 . . . . . . 341 E QG . 16129 1 151 . 1 1 14 14 GLU HG3 H 1 2.361 0.000 . . . . . . 341 E QG . 16129 1 152 . 1 1 14 14 GLU C C 13 179.165 0.000 . . . . . . 341 E C . 16129 1 153 . 1 1 14 14 GLU CA C 13 59.834 0.000 . . . . . . 341 E CA . 16129 1 154 . 1 1 14 14 GLU CB C 13 28.722 0.000 . . . . . . 341 E CB . 16129 1 155 . 1 1 14 14 GLU CG C 13 36.254 0.000 . . . . . . 341 E CG . 16129 1 156 . 1 1 14 14 GLU N N 15 116.954 0.000 . . . . . . 341 E N . 16129 1 157 . 1 1 15 15 GLN H H 1 7.375 0.000 . . . . . . 342 Q HN . 16129 1 158 . 1 1 15 15 GLN HA H 1 4.168 0.000 . . . . . . 342 Q HA . 16129 1 159 . 1 1 15 15 GLN HB2 H 1 2.017 0.000 . . . . . . 342 Q HB2 . 16129 1 160 . 1 1 15 15 GLN HB3 H 1 2.165 0.000 . . . . . . 342 Q HB3 . 16129 1 161 . 1 1 15 15 GLN HE21 H 1 6.917 0.000 . . . . . . 342 Q HE21 . 16129 1 162 . 1 1 15 15 GLN HE22 H 1 7.638 0.001 . . . . . . 342 Q HE22 . 16129 1 163 . 1 1 15 15 GLN HG2 H 1 2.492 0.000 . . . . . . 342 Q QG . 16129 1 164 . 1 1 15 15 GLN HG3 H 1 2.492 0.000 . . . . . . 342 Q QG . 16129 1 165 . 1 1 15 15 GLN C C 13 178.149 0.000 . . . . . . 342 Q C . 16129 1 166 . 1 1 15 15 GLN CA C 13 58.123 0.000 . . . . . . 342 Q CA . 16129 1 167 . 1 1 15 15 GLN CB C 13 29.317 0.001 . . . . . . 342 Q CB . 16129 1 168 . 1 1 15 15 GLN CD C 13 179.000 0.012 . . . . . . 342 Q CD . 16129 1 169 . 1 1 15 15 GLN CG C 13 34.151 0.000 . . . . . . 342 Q CG . 16129 1 170 . 1 1 15 15 GLN N N 15 118.171 0.000 . . . . . . 342 Q N . 16129 1 171 . 1 1 15 15 GLN NE2 N 15 111.708 0.008 . . . . . . 342 Q NE2 . 16129 1 172 . 1 1 16 16 GLN H H 1 8.492 0.000 . . . . . . 343 Q HN . 16129 1 173 . 1 1 16 16 GLN HA H 1 3.730 0.000 . . . . . . 343 Q HA . 16129 1 174 . 1 1 16 16 GLN HB2 H 1 2.045 0.000 . . . . . . 343 Q HB2 . 16129 1 175 . 1 1 16 16 GLN HB3 H 1 2.073 0.000 . . . . . . 343 Q HB3 . 16129 1 176 . 1 1 16 16 GLN HE21 H 1 6.752 0.000 . . . . . . 343 Q HE21 . 16129 1 177 . 1 1 16 16 GLN HE22 H 1 7.350 0.000 . . . . . . 343 Q HE22 . 16129 1 178 . 1 1 16 16 GLN HG2 H 1 1.873 0.000 . . . . . . 343 Q HG2 . 16129 1 179 . 1 1 16 16 GLN HG3 H 1 2.387 0.000 . . . . . . 343 Q HG3 . 16129 1 180 . 1 1 16 16 GLN C C 13 177.694 0.000 . . . . . . 343 Q C . 16129 1 181 . 1 1 16 16 GLN CA C 13 59.750 0.000 . . . . . . 343 Q CA . 16129 1 182 . 1 1 16 16 GLN CB C 13 27.991 0.001 . . . . . . 343 Q CB . 16129 1 183 . 1 1 16 16 GLN CD C 13 178.691 0.027 . . . . . . 343 Q CD . 16129 1 184 . 1 1 16 16 GLN CG C 13 33.765 0.004 . . . . . . 343 Q CG . 16129 1 185 . 1 1 16 16 GLN N N 15 120.679 0.000 . . . . . . 343 Q N . 16129 1 186 . 1 1 16 16 GLN NE2 N 15 110.930 0.002 . . . . . . 343 Q NE2 . 16129 1 187 . 1 1 17 17 ARG H H 1 8.264 0.000 . . . . . . 344 R HN . 16129 1 188 . 1 1 17 17 ARG HA H 1 3.772 0.000 . . . . . . 344 R HA . 16129 1 189 . 1 1 17 17 ARG HB2 H 1 1.815 0.000 . . . . . . 344 R HB2 . 16129 1 190 . 1 1 17 17 ARG HB3 H 1 1.940 0.000 . . . . . . 344 R HB3 . 16129 1 191 . 1 1 17 17 ARG HD2 H 1 3.138 0.000 . . . . . . 344 R HD2 . 16129 1 192 . 1 1 17 17 ARG HD3 H 1 3.258 0.000 . . . . . . 344 R HD3 . 16129 1 193 . 1 1 17 17 ARG HE H 1 7.809 0.000 . . . . . . 344 R HE . 16129 1 194 . 1 1 17 17 ARG HG2 H 1 1.550 0.000 . . . . . . 344 R HG2 . 16129 1 195 . 1 1 17 17 ARG HG3 H 1 1.708 0.000 . . . . . . 344 R HG3 . 16129 1 196 . 1 1 17 17 ARG C C 13 177.317 0.000 . . . . . . 344 R C . 16129 1 197 . 1 1 17 17 ARG CA C 13 60.339 0.000 . . . . . . 344 R CA . 16129 1 198 . 1 1 17 17 ARG CB C 13 29.996 0.006 . . . . . . 344 R CB . 16129 1 199 . 1 1 17 17 ARG CD C 13 43.584 0.010 . . . . . . 344 R CD . 16129 1 200 . 1 1 17 17 ARG CG C 13 27.386 0.001 . . . . . . 344 R CG . 16129 1 201 . 1 1 17 17 ARG CZ C 13 175.760 0.000 . . . . . . 344 R CZ . 16129 1 202 . 1 1 17 17 ARG N N 15 116.736 0.000 . . . . . . 344 R N . 16129 1 203 . 1 1 17 17 ARG NE N 15 108.360 0.000 . . . . . . 344 R NE . 16129 1 204 . 1 1 18 18 LYS H H 1 7.395 0.000 . . . . . . 345 K HN . 16129 1 205 . 1 1 18 18 LYS HA H 1 4.092 0.000 . . . . . . 345 K HA . 16129 1 206 . 1 1 18 18 LYS HB2 H 1 1.898 0.000 . . . . . . 345 K QB . 16129 1 207 . 1 1 18 18 LYS HB3 H 1 1.898 0.000 . . . . . . 345 K QB . 16129 1 208 . 1 1 18 18 LYS HD2 H 1 1.715 0.000 . . . . . . 345 K QD . 16129 1 209 . 1 1 18 18 LYS HD3 H 1 1.715 0.000 . . . . . . 345 K QD . 16129 1 210 . 1 1 18 18 LYS HE2 H 1 2.984 0.000 . . . . . . 345 K QE . 16129 1 211 . 1 1 18 18 LYS HE3 H 1 2.984 0.000 . . . . . . 345 K QE . 16129 1 212 . 1 1 18 18 LYS HG2 H 1 1.453 0.000 . . . . . . 345 K HG2 . 16129 1 213 . 1 1 18 18 LYS HG3 H 1 1.596 0.000 . . . . . . 345 K HG3 . 16129 1 214 . 1 1 18 18 LYS C C 13 179.232 0.000 . . . . . . 345 K C . 16129 1 215 . 1 1 18 18 LYS CA C 13 59.414 0.000 . . . . . . 345 K CA . 16129 1 216 . 1 1 18 18 LYS CB C 13 32.514 0.000 . . . . . . 345 K CB . 16129 1 217 . 1 1 18 18 LYS CD C 13 29.177 0.000 . . . . . . 345 K CD . 16129 1 218 . 1 1 18 18 LYS CE C 13 42.048 0.000 . . . . . . 345 K CE . 16129 1 219 . 1 1 18 18 LYS CG C 13 25.061 0.003 . . . . . . 345 K CG . 16129 1 220 . 1 1 18 18 LYS N N 15 117.410 0.000 . . . . . . 345 K N . 16129 1 221 . 1 1 19 19 ARG H H 1 8.009 0.000 . . . . . . 346 R HN . 16129 1 222 . 1 1 19 19 ARG HA H 1 4.057 0.000 . . . . . . 346 R HA . 16129 1 223 . 1 1 19 19 ARG HB2 H 1 1.577 0.000 . . . . . . 346 R QB . 16129 1 224 . 1 1 19 19 ARG HB3 H 1 1.577 0.000 . . . . . . 346 R QB . 16129 1 225 . 1 1 19 19 ARG HD2 H 1 3.029 0.000 . . . . . . 346 R QD . 16129 1 226 . 1 1 19 19 ARG HD3 H 1 3.029 0.000 . . . . . . 346 R QD . 16129 1 227 . 1 1 19 19 ARG HE H 1 7.238 0.000 . . . . . . 346 R HE . 16129 1 228 . 1 1 19 19 ARG HG2 H 1 1.408 0.000 . . . . . . 346 R HG2 . 16129 1 229 . 1 1 19 19 ARG HG3 H 1 1.523 0.000 . . . . . . 346 R HG3 . 16129 1 230 . 1 1 19 19 ARG C C 13 179.375 0.000 . . . . . . 346 R C . 16129 1 231 . 1 1 19 19 ARG CA C 13 58.089 0.000 . . . . . . 346 R CA . 16129 1 232 . 1 1 19 19 ARG CB C 13 28.686 0.000 . . . . . . 346 R CB . 16129 1 233 . 1 1 19 19 ARG CD C 13 41.981 0.000 . . . . . . 346 R CD . 16129 1 234 . 1 1 19 19 ARG CG C 13 26.718 0.002 . . . . . . 346 R CG . 16129 1 235 . 1 1 19 19 ARG CZ C 13 175.466 0.000 . . . . . . 346 R CZ . 16129 1 236 . 1 1 19 19 ARG N N 15 118.178 0.000 . . . . . . 346 R N . 16129 1 237 . 1 1 19 19 ARG NE N 15 108.850 0.000 . . . . . . 346 R NE . 16129 1 238 . 1 1 20 20 LEU H H 1 8.433 0.000 . . . . . . 347 L HN . 16129 1 239 . 1 1 20 20 LEU HA H 1 4.124 0.000 . . . . . . 347 L HA . 16129 1 240 . 1 1 20 20 LEU HB2 H 1 1.424 0.000 . . . . . . 347 L HB2 . 16129 1 241 . 1 1 20 20 LEU HB3 H 1 2.218 0.000 . . . . . . 347 L HB3 . 16129 1 242 . 1 1 20 20 LEU HD11 H 1 0.863 0.000 . . . . . . 347 L QD1 . 16129 1 243 . 1 1 20 20 LEU HD12 H 1 0.863 0.000 . . . . . . 347 L QD1 . 16129 1 244 . 1 1 20 20 LEU HD13 H 1 0.863 0.000 . . . . . . 347 L QD1 . 16129 1 245 . 1 1 20 20 LEU HD21 H 1 1.206 0.000 . . . . . . 347 L QD2 . 16129 1 246 . 1 1 20 20 LEU HD22 H 1 1.206 0.000 . . . . . . 347 L QD2 . 16129 1 247 . 1 1 20 20 LEU HD23 H 1 1.206 0.000 . . . . . . 347 L QD2 . 16129 1 248 . 1 1 20 20 LEU HG H 1 1.954 0.000 . . . . . . 347 L HG . 16129 1 249 . 1 1 20 20 LEU C C 13 178.617 0.000 . . . . . . 347 L C . 16129 1 250 . 1 1 20 20 LEU CA C 13 58.151 0.000 . . . . . . 347 L CA . 16129 1 251 . 1 1 20 20 LEU CB C 13 43.242 0.003 . . . . . . 347 L CB . 16129 1 252 . 1 1 20 20 LEU CD1 C 13 26.538 0.000 . . . . . . 347 L CD1 . 16129 1 253 . 1 1 20 20 LEU CD2 C 13 24.110 0.000 . . . . . . 347 L CD2 . 16129 1 254 . 1 1 20 20 LEU CG C 13 27.274 0.000 . . . . . . 347 L CG . 16129 1 255 . 1 1 20 20 LEU N N 15 119.659 0.000 . . . . . . 347 L N . 16129 1 256 . 1 1 21 21 GLN H H 1 8.481 0.000 . . . . . . 348 Q HN . 16129 1 257 . 1 1 21 21 GLN HA H 1 3.954 0.000 . . . . . . 348 Q HA . 16129 1 258 . 1 1 21 21 GLN HB2 H 1 2.132 0.000 . . . . . . 348 Q HB2 . 16129 1 259 . 1 1 21 21 GLN HB3 H 1 2.362 0.000 . . . . . . 348 Q HB3 . 16129 1 260 . 1 1 21 21 GLN HE21 H 1 6.746 0.000 . . . . . . 348 Q HE21 . 16129 1 261 . 1 1 21 21 GLN HE22 H 1 7.670 0.001 . . . . . . 348 Q HE22 . 16129 1 262 . 1 1 21 21 GLN HG2 H 1 2.398 0.000 . . . . . . 348 Q HG2 . 16129 1 263 . 1 1 21 21 GLN HG3 H 1 2.540 0.000 . . . . . . 348 Q HG3 . 16129 1 264 . 1 1 21 21 GLN C C 13 178.465 0.000 . . . . . . 348 Q C . 16129 1 265 . 1 1 21 21 GLN CA C 13 59.492 0.000 . . . . . . 348 Q CA . 16129 1 266 . 1 1 21 21 GLN CB C 13 28.170 0.006 . . . . . . 348 Q CB . 16129 1 267 . 1 1 21 21 GLN CD C 13 179.553 0.015 . . . . . . 348 Q CD . 16129 1 268 . 1 1 21 21 GLN CG C 13 34.011 0.004 . . . . . . 348 Q CG . 16129 1 269 . 1 1 21 21 GLN N N 15 118.686 0.000 . . . . . . 348 Q N . 16129 1 270 . 1 1 21 21 GLN NE2 N 15 111.277 0.002 . . . . . . 348 Q NE2 . 16129 1 271 . 1 1 22 22 GLN H H 1 7.891 0.000 . . . . . . 349 Q HN . 16129 1 272 . 1 1 22 22 GLN HA H 1 4.110 0.000 . . . . . . 349 Q HA . 16129 1 273 . 1 1 22 22 GLN HB2 H 1 2.174 0.000 . . . . . . 349 Q HB2 . 16129 1 274 . 1 1 22 22 GLN HB3 H 1 2.262 0.000 . . . . . . 349 Q HB3 . 16129 1 275 . 1 1 22 22 GLN HE21 H 1 6.819 0.001 . . . . . . 349 Q HE21 . 16129 1 276 . 1 1 22 22 GLN HE22 H 1 7.637 0.000 . . . . . . 349 Q HE22 . 16129 1 277 . 1 1 22 22 GLN HG2 H 1 2.383 0.000 . . . . . . 349 Q HG2 . 16129 1 278 . 1 1 22 22 GLN HG3 H 1 2.596 0.000 . . . . . . 349 Q HG3 . 16129 1 279 . 1 1 22 22 GLN C C 13 178.860 0.000 . . . . . . 349 Q C . 16129 1 280 . 1 1 22 22 GLN CA C 13 59.078 0.000 . . . . . . 349 Q CA . 16129 1 281 . 1 1 22 22 GLN CB C 13 28.220 0.006 . . . . . . 349 Q CB . 16129 1 282 . 1 1 22 22 GLN CD C 13 180.171 0.019 . . . . . . 349 Q CD . 16129 1 283 . 1 1 22 22 GLN CG C 13 33.737 0.003 . . . . . . 349 Q CG . 16129 1 284 . 1 1 22 22 GLN N N 15 118.620 0.000 . . . . . . 349 Q N . 16129 1 285 . 1 1 22 22 GLN NE2 N 15 111.614 0.014 . . . . . . 349 Q NE2 . 16129 1 286 . 1 1 23 23 GLN H H 1 8.019 0.000 . . . . . . 350 Q HN . 16129 1 287 . 1 1 23 23 GLN HA H 1 3.949 0.000 . . . . . . 350 Q HA . 16129 1 288 . 1 1 23 23 GLN HB2 H 1 1.473 0.000 . . . . . . 350 Q HB2 . 16129 1 289 . 1 1 23 23 GLN HB3 H 1 1.850 0.000 . . . . . . 350 Q HB3 . 16129 1 290 . 1 1 23 23 GLN HE21 H 1 7.019 0.001 . . . . . . 350 Q HE21 . 16129 1 291 . 1 1 23 23 GLN HE22 H 1 7.282 0.002 . . . . . . 350 Q HE22 . 16129 1 292 . 1 1 23 23 GLN HG2 H 1 2.432 0.000 . . . . . . 350 Q QG . 16129 1 293 . 1 1 23 23 GLN HG3 H 1 2.432 0.000 . . . . . . 350 Q QG . 16129 1 294 . 1 1 23 23 GLN C C 13 178.096 0.000 . . . . . . 350 Q C . 16129 1 295 . 1 1 23 23 GLN CA C 13 58.443 0.000 . . . . . . 350 Q CA . 16129 1 296 . 1 1 23 23 GLN CB C 13 28.622 0.008 . . . . . . 350 Q CB . 16129 1 297 . 1 1 23 23 GLN CD C 13 179.366 0.007 . . . . . . 350 Q CD . 16129 1 298 . 1 1 23 23 GLN CG C 13 34.107 0.000 . . . . . . 350 Q CG . 16129 1 299 . 1 1 23 23 GLN N N 15 118.420 0.000 . . . . . . 350 Q N . 16129 1 300 . 1 1 23 23 GLN NE2 N 15 111.922 0.000 . . . . . . 350 Q NE2 . 16129 1 301 . 1 1 24 24 LEU H H 1 8.501 0.000 . . . . . . 351 L HN . 16129 1 302 . 1 1 24 24 LEU HA H 1 3.889 0.000 . . . . . . 351 L HA . 16129 1 303 . 1 1 24 24 LEU HB2 H 1 1.550 0.000 . . . . . . 351 L HB2 . 16129 1 304 . 1 1 24 24 LEU HB3 H 1 2.134 0.000 . . . . . . 351 L HB3 . 16129 1 305 . 1 1 24 24 LEU HD11 H 1 1.006 0.000 . . . . . . 351 L QD1 . 16129 1 306 . 1 1 24 24 LEU HD12 H 1 1.006 0.000 . . . . . . 351 L QD1 . 16129 1 307 . 1 1 24 24 LEU HD13 H 1 1.006 0.000 . . . . . . 351 L QD1 . 16129 1 308 . 1 1 24 24 LEU HD21 H 1 1.129 0.000 . . . . . . 351 L QD2 . 16129 1 309 . 1 1 24 24 LEU HD22 H 1 1.129 0.000 . . . . . . 351 L QD2 . 16129 1 310 . 1 1 24 24 LEU HD23 H 1 1.129 0.000 . . . . . . 351 L QD2 . 16129 1 311 . 1 1 24 24 LEU HG H 1 1.639 0.000 . . . . . . 351 L HG . 16129 1 312 . 1 1 24 24 LEU C C 13 179.103 0.000 . . . . . . 351 L C . 16129 1 313 . 1 1 24 24 LEU CA C 13 58.594 0.000 . . . . . . 351 L CA . 16129 1 314 . 1 1 24 24 LEU CB C 13 41.701 0.003 . . . . . . 351 L CB . 16129 1 315 . 1 1 24 24 LEU CD1 C 13 26.947 0.000 . . . . . . 351 L CD1 . 16129 1 316 . 1 1 24 24 LEU CD2 C 13 24.870 0.000 . . . . . . 351 L CD2 . 16129 1 317 . 1 1 24 24 LEU CG C 13 27.523 0.000 . . . . . . 351 L CG . 16129 1 318 . 1 1 24 24 LEU N N 15 120.710 0.000 . . . . . . 351 L N . 16129 1 319 . 1 1 25 25 GLU H H 1 8.283 0.000 . . . . . . 352 E HN . 16129 1 320 . 1 1 25 25 GLU HA H 1 4.015 0.000 . . . . . . 352 E HA . 16129 1 321 . 1 1 25 25 GLU HB2 H 1 2.120 0.000 . . . . . . 352 E HB2 . 16129 1 322 . 1 1 25 25 GLU HB3 H 1 2.219 0.000 . . . . . . 352 E HB3 . 16129 1 323 . 1 1 25 25 GLU HG2 H 1 2.296 0.000 . . . . . . 352 E HG2 . 16129 1 324 . 1 1 25 25 GLU HG3 H 1 2.501 0.000 . . . . . . 352 E HG3 . 16129 1 325 . 1 1 25 25 GLU C C 13 179.188 0.000 . . . . . . 352 E C . 16129 1 326 . 1 1 25 25 GLU CA C 13 59.795 0.000 . . . . . . 352 E CA . 16129 1 327 . 1 1 25 25 GLU CB C 13 29.142 0.005 . . . . . . 352 E CB . 16129 1 328 . 1 1 25 25 GLU CG C 13 36.376 0.005 . . . . . . 352 E CG . 16129 1 329 . 1 1 25 25 GLU N N 15 120.466 0.000 . . . . . . 352 E N . 16129 1 330 . 1 1 26 26 GLU H H 1 8.048 0.000 . . . . . . 353 E HN . 16129 1 331 . 1 1 26 26 GLU HA H 1 4.042 0.000 . . . . . . 353 E HA . 16129 1 332 . 1 1 26 26 GLU HB2 H 1 2.144 0.000 . . . . . . 353 E QB . 16129 1 333 . 1 1 26 26 GLU HB3 H 1 2.144 0.000 . . . . . . 353 E QB . 16129 1 334 . 1 1 26 26 GLU HG2 H 1 2.292 0.000 . . . . . . 353 E HG2 . 16129 1 335 . 1 1 26 26 GLU HG3 H 1 2.471 0.000 . . . . . . 353 E HG3 . 16129 1 336 . 1 1 26 26 GLU C C 13 179.685 0.000 . . . . . . 353 E C . 16129 1 337 . 1 1 26 26 GLU CA C 13 59.883 0.000 . . . . . . 353 E CA . 16129 1 338 . 1 1 26 26 GLU CB C 13 29.570 0.000 . . . . . . 353 E CB . 16129 1 339 . 1 1 26 26 GLU CG C 13 36.236 0.000 . . . . . . 353 E CG . 16129 1 340 . 1 1 26 26 GLU N N 15 119.298 0.000 . . . . . . 353 E N . 16129 1 341 . 1 1 27 27 ARG H H 1 8.544 0.000 . . . . . . 354 R HN . 16129 1 342 . 1 1 27 27 ARG HA H 1 4.238 0.000 . . . . . . 354 R HA . 16129 1 343 . 1 1 27 27 ARG HB2 H 1 1.842 0.000 . . . . . . 354 R HB2 . 16129 1 344 . 1 1 27 27 ARG HB3 H 1 2.044 0.000 . . . . . . 354 R HB3 . 16129 1 345 . 1 1 27 27 ARG HD2 H 1 3.175 0.000 . . . . . . 354 R HD2 . 16129 1 346 . 1 1 27 27 ARG HD3 H 1 3.324 0.000 . . . . . . 354 R HD3 . 16129 1 347 . 1 1 27 27 ARG HE H 1 7.933 0.000 . . . . . . 354 R HE . 16129 1 348 . 1 1 27 27 ARG HG2 H 1 1.658 0.000 . . . . . . 354 R HG2 . 16129 1 349 . 1 1 27 27 ARG HG3 H 1 1.999 0.000 . . . . . . 354 R HG3 . 16129 1 350 . 1 1 27 27 ARG C C 13 178.603 0.000 . . . . . . 354 R C . 16129 1 351 . 1 1 27 27 ARG CA C 13 57.813 0.000 . . . . . . 354 R CA . 16129 1 352 . 1 1 27 27 ARG CB C 13 30.238 0.002 . . . . . . 354 R CB . 16129 1 353 . 1 1 27 27 ARG CD C 13 42.401 0.003 . . . . . . 354 R CD . 16129 1 354 . 1 1 27 27 ARG CG C 13 27.374 0.000 . . . . . . 354 R CG . 16129 1 355 . 1 1 27 27 ARG CZ C 13 175.869 0.000 . . . . . . 354 R CZ . 16129 1 356 . 1 1 27 27 ARG N N 15 118.441 0.000 . . . . . . 354 R N . 16129 1 357 . 1 1 27 27 ARG NE N 15 109.594 0.000 . . . . . . 354 R NE . 16129 1 358 . 1 1 28 28 SER H H 1 8.733 0.000 . . . . . . 355 S HN . 16129 1 359 . 1 1 28 28 SER HA H 1 4.132 0.000 . . . . . . 355 S HA . 16129 1 360 . 1 1 28 28 SER HB2 H 1 3.943 0.000 . . . . . . 355 S HB2 . 16129 1 361 . 1 1 28 28 SER HB3 H 1 4.114 0.000 . . . . . . 355 S HB3 . 16129 1 362 . 1 1 28 28 SER C C 13 177.135 0.000 . . . . . . 355 S C . 16129 1 363 . 1 1 28 28 SER CA C 13 62.572 0.002 . . . . . . 355 S CA . 16129 1 364 . 1 1 28 28 SER CB C 13 62.559 0.002 . . . . . . 355 S CB . 16129 1 365 . 1 1 28 28 SER N N 15 115.082 0.000 . . . . . . 355 S N . 16129 1 366 . 1 1 29 29 ARG H H 1 8.123 0.000 . . . . . . 356 R HN . 16129 1 367 . 1 1 29 29 ARG HA H 1 4.172 0.000 . . . . . . 356 R HA . 16129 1 368 . 1 1 29 29 ARG HB2 H 1 1.970 0.000 . . . . . . 356 R HB2 . 16129 1 369 . 1 1 29 29 ARG HB3 H 1 2.062 0.000 . . . . . . 356 R HB3 . 16129 1 370 . 1 1 29 29 ARG HD2 H 1 3.268 0.000 . . . . . . 356 R QD . 16129 1 371 . 1 1 29 29 ARG HD3 H 1 3.268 0.000 . . . . . . 356 R QD . 16129 1 372 . 1 1 29 29 ARG HE H 1 7.472 0.000 . . . . . . 356 R HE . 16129 1 373 . 1 1 29 29 ARG HG2 H 1 1.660 0.000 . . . . . . 356 R HG2 . 16129 1 374 . 1 1 29 29 ARG HG3 H 1 1.867 0.000 . . . . . . 356 R HG3 . 16129 1 375 . 1 1 29 29 ARG C C 13 179.230 0.000 . . . . . . 356 R C . 16129 1 376 . 1 1 29 29 ARG CA C 13 59.593 0.000 . . . . . . 356 R CA . 16129 1 377 . 1 1 29 29 ARG CB C 13 30.105 0.002 . . . . . . 356 R CB . 16129 1 378 . 1 1 29 29 ARG CD C 13 43.539 0.000 . . . . . . 356 R CD . 16129 1 379 . 1 1 29 29 ARG CG C 13 27.892 0.001 . . . . . . 356 R CG . 16129 1 380 . 1 1 29 29 ARG CZ C 13 175.583 0.000 . . . . . . 356 R CZ . 16129 1 381 . 1 1 29 29 ARG N N 15 123.677 0.000 . . . . . . 356 R N . 16129 1 382 . 1 1 29 29 ARG NE N 15 109.329 0.000 . . . . . . 356 R NE . 16129 1 383 . 1 1 30 30 GLU H H 1 8.033 0.000 . . . . . . 357 E HN . 16129 1 384 . 1 1 30 30 GLU HA H 1 4.012 0.000 . . . . . . 357 E HA . 16129 1 385 . 1 1 30 30 GLU HB2 H 1 2.142 0.000 . . . . . . 357 E HB2 . 16129 1 386 . 1 1 30 30 GLU HB3 H 1 2.335 0.000 . . . . . . 357 E HB3 . 16129 1 387 . 1 1 30 30 GLU HG2 H 1 2.329 0.000 . . . . . . 357 E HG2 . 16129 1 388 . 1 1 30 30 GLU HG3 H 1 2.532 0.000 . . . . . . 357 E HG3 . 16129 1 389 . 1 1 30 30 GLU C C 13 178.892 0.000 . . . . . . 357 E C . 16129 1 390 . 1 1 30 30 GLU CA C 13 59.635 0.000 . . . . . . 357 E CA . 16129 1 391 . 1 1 30 30 GLU CB C 13 29.518 0.004 . . . . . . 357 E CB . 16129 1 392 . 1 1 30 30 GLU CG C 13 36.385 0.002 . . . . . . 357 E CG . 16129 1 393 . 1 1 30 30 GLU N N 15 121.614 0.000 . . . . . . 357 E N . 16129 1 394 . 1 1 31 31 LEU H H 1 8.539 0.000 . . . . . . 358 L HN . 16129 1 395 . 1 1 31 31 LEU HA H 1 4.076 0.000 . . . . . . 358 L HA . 16129 1 396 . 1 1 31 31 LEU HB2 H 1 1.473 0.000 . . . . . . 358 L HB2 . 16129 1 397 . 1 1 31 31 LEU HB3 H 1 2.190 0.000 . . . . . . 358 L HB3 . 16129 1 398 . 1 1 31 31 LEU HD11 H 1 0.951 0.000 . . . . . . 358 L QD1 . 16129 1 399 . 1 1 31 31 LEU HD12 H 1 0.951 0.000 . . . . . . 358 L QD1 . 16129 1 400 . 1 1 31 31 LEU HD13 H 1 0.951 0.000 . . . . . . 358 L QD1 . 16129 1 401 . 1 1 31 31 LEU HD21 H 1 1.054 0.000 . . . . . . 358 L QD2 . 16129 1 402 . 1 1 31 31 LEU HD22 H 1 1.054 0.000 . . . . . . 358 L QD2 . 16129 1 403 . 1 1 31 31 LEU HD23 H 1 1.054 0.000 . . . . . . 358 L QD2 . 16129 1 404 . 1 1 31 31 LEU HG H 1 1.676 0.000 . . . . . . 358 L HG . 16129 1 405 . 1 1 31 31 LEU C C 13 177.421 0.000 . . . . . . 358 L C . 16129 1 406 . 1 1 31 31 LEU CA C 13 58.363 0.000 . . . . . . 358 L CA . 16129 1 407 . 1 1 31 31 LEU CB C 13 41.069 0.002 . . . . . . 358 L CB . 16129 1 408 . 1 1 31 31 LEU CD1 C 13 27.005 0.000 . . . . . . 358 L CD1 . 16129 1 409 . 1 1 31 31 LEU CD2 C 13 24.734 0.000 . . . . . . 358 L CD2 . 16129 1 410 . 1 1 31 31 LEU CG C 13 27.263 0.000 . . . . . . 358 L CG . 16129 1 411 . 1 1 31 31 LEU N N 15 120.561 0.000 . . . . . . 358 L N . 16129 1 412 . 1 1 32 32 GLN H H 1 7.963 0.000 . . . . . . 359 Q HN . 16129 1 413 . 1 1 32 32 GLN HA H 1 3.902 0.000 . . . . . . 359 Q HA . 16129 1 414 . 1 1 32 32 GLN HB2 H 1 2.176 0.000 . . . . . . 359 Q HB2 . 16129 1 415 . 1 1 32 32 GLN HB3 H 1 2.249 0.000 . . . . . . 359 Q HB3 . 16129 1 416 . 1 1 32 32 GLN HE21 H 1 6.867 0.003 . . . . . . 359 Q HE21 . 16129 1 417 . 1 1 32 32 GLN HE22 H 1 7.777 0.000 . . . . . . 359 Q HE22 . 16129 1 418 . 1 1 32 32 GLN HG2 H 1 2.439 0.000 . . . . . . 359 Q QG . 16129 1 419 . 1 1 32 32 GLN HG3 H 1 2.439 0.000 . . . . . . 359 Q QG . 16129 1 420 . 1 1 32 32 GLN C C 13 177.595 0.000 . . . . . . 359 Q C . 16129 1 421 . 1 1 32 32 GLN CA C 13 58.477 0.000 . . . . . . 359 Q CA . 16129 1 422 . 1 1 32 32 GLN CB C 13 28.034 0.010 . . . . . . 359 Q CB . 16129 1 423 . 1 1 32 32 GLN CD C 13 180.371 0.008 . . . . . . 359 Q CD . 16129 1 424 . 1 1 32 32 GLN CG C 13 33.605 0.000 . . . . . . 359 Q CG . 16129 1 425 . 1 1 32 32 GLN N N 15 117.700 0.000 . . . . . . 359 Q N . 16129 1 426 . 1 1 32 32 GLN NE2 N 15 115.455 0.000 . . . . . . 359 Q NE2 . 16129 1 427 . 1 1 33 33 LYS H H 1 7.873 0.000 . . . . . . 360 K HN . 16129 1 428 . 1 1 33 33 LYS HA H 1 4.177 0.000 . . . . . . 360 K HA . 16129 1 429 . 1 1 33 33 LYS HB2 H 1 2.016 0.000 . . . . . . 360 K HB2 . 16129 1 430 . 1 1 33 33 LYS HB3 H 1 2.078 0.000 . . . . . . 360 K HB3 . 16129 1 431 . 1 1 33 33 LYS HD2 H 1 1.720 0.000 . . . . . . 360 K QD . 16129 1 432 . 1 1 33 33 LYS HD3 H 1 1.720 0.000 . . . . . . 360 K QD . 16129 1 433 . 1 1 33 33 LYS HE2 H 1 2.997 0.000 . . . . . . 360 K QE . 16129 1 434 . 1 1 33 33 LYS HE3 H 1 2.997 0.000 . . . . . . 360 K QE . 16129 1 435 . 1 1 33 33 LYS HG2 H 1 1.484 0.000 . . . . . . 360 K HG2 . 16129 1 436 . 1 1 33 33 LYS HG3 H 1 1.655 0.000 . . . . . . 360 K HG3 . 16129 1 437 . 1 1 33 33 LYS C C 13 179.741 0.000 . . . . . . 360 K C . 16129 1 438 . 1 1 33 33 LYS CA C 13 59.558 0.000 . . . . . . 360 K CA . 16129 1 439 . 1 1 33 33 LYS CB C 13 32.044 0.001 . . . . . . 360 K CB . 16129 1 440 . 1 1 33 33 LYS CD C 13 29.387 0.000 . . . . . . 360 K CD . 16129 1 441 . 1 1 33 33 LYS CE C 13 42.087 0.000 . . . . . . 360 K CE . 16129 1 442 . 1 1 33 33 LYS CG C 13 24.879 0.001 . . . . . . 360 K CG . 16129 1 443 . 1 1 33 33 LYS N N 15 118.516 0.000 . . . . . . 360 K N . 16129 1 444 . 1 1 34 34 GLU H H 1 7.980 0.000 . . . . . . 361 E HN . 16129 1 445 . 1 1 34 34 GLU HA H 1 4.268 0.000 . . . . . . 361 E HA . 16129 1 446 . 1 1 34 34 GLU HB2 H 1 2.063 0.000 . . . . . . 361 E HB2 . 16129 1 447 . 1 1 34 34 GLU HB3 H 1 2.244 0.000 . . . . . . 361 E HB3 . 16129 1 448 . 1 1 34 34 GLU HG2 H 1 2.249 0.000 . . . . . . 361 E HG2 . 16129 1 449 . 1 1 34 34 GLU HG3 H 1 2.471 0.000 . . . . . . 361 E HG3 . 16129 1 450 . 1 1 34 34 GLU C C 13 178.954 0.000 . . . . . . 361 E C . 16129 1 451 . 1 1 34 34 GLU CA C 13 58.824 0.000 . . . . . . 361 E CA . 16129 1 452 . 1 1 34 34 GLU CB C 13 29.881 0.003 . . . . . . 361 E CB . 16129 1 453 . 1 1 34 34 GLU CG C 13 35.987 0.001 . . . . . . 361 E CG . 16129 1 454 . 1 1 34 34 GLU N N 15 120.744 0.000 . . . . . . 361 E N . 16129 1 455 . 1 1 35 35 VAL H H 1 8.623 0.000 . . . . . . 362 V HN . 16129 1 456 . 1 1 35 35 VAL HA H 1 3.522 0.000 . . . . . . 362 V HA . 16129 1 457 . 1 1 35 35 VAL HB H 1 2.248 0.000 . . . . . . 362 V HB . 16129 1 458 . 1 1 35 35 VAL HG11 H 1 0.994 0.000 . . . . . . 362 V QG1 . 16129 1 459 . 1 1 35 35 VAL HG12 H 1 0.994 0.000 . . . . . . 362 V QG1 . 16129 1 460 . 1 1 35 35 VAL HG13 H 1 0.994 0.000 . . . . . . 362 V QG1 . 16129 1 461 . 1 1 35 35 VAL HG21 H 1 1.054 0.000 . . . . . . 362 V QG2 . 16129 1 462 . 1 1 35 35 VAL HG22 H 1 1.054 0.000 . . . . . . 362 V QG2 . 16129 1 463 . 1 1 35 35 VAL HG23 H 1 1.054 0.000 . . . . . . 362 V QG2 . 16129 1 464 . 1 1 35 35 VAL C C 13 178.485 0.000 . . . . . . 362 V C . 16129 1 465 . 1 1 35 35 VAL CA C 13 67.450 0.000 . . . . . . 362 V CA . 16129 1 466 . 1 1 35 35 VAL CB C 13 31.422 0.000 . . . . . . 362 V CB . 16129 1 467 . 1 1 35 35 VAL CG1 C 13 21.197 0.000 . . . . . . 362 V CG1 . 16129 1 468 . 1 1 35 35 VAL CG2 C 13 22.824 0.000 . . . . . . 362 V CG2 . 16129 1 469 . 1 1 35 35 VAL N N 15 122.082 0.000 . . . . . . 362 V N . 16129 1 470 . 1 1 36 36 ASP H H 1 8.606 0.000 . . . . . . 363 D HN . 16129 1 471 . 1 1 36 36 ASP HA H 1 4.410 0.000 . . . . . . 363 D HA . 16129 1 472 . 1 1 36 36 ASP HB2 H 1 2.657 0.000 . . . . . . 363 D HB2 . 16129 1 473 . 1 1 36 36 ASP HB3 H 1 2.917 0.000 . . . . . . 363 D HB3 . 16129 1 474 . 1 1 36 36 ASP C C 13 179.896 0.000 . . . . . . 363 D C . 16129 1 475 . 1 1 36 36 ASP CA C 13 57.489 0.000 . . . . . . 363 D CA . 16129 1 476 . 1 1 36 36 ASP CB C 13 39.694 0.006 . . . . . . 363 D CB . 16129 1 477 . 1 1 36 36 ASP N N 15 120.105 0.000 . . . . . . 363 D N . 16129 1 478 . 1 1 37 37 GLN H H 1 8.151 0.000 . . . . . . 364 Q HN . 16129 1 479 . 1 1 37 37 GLN HA H 1 4.348 0.000 . . . . . . 364 Q HA . 16129 1 480 . 1 1 37 37 GLN HB2 H 1 2.278 0.000 . . . . . . 364 Q QB . 16129 1 481 . 1 1 37 37 GLN HB3 H 1 2.278 0.000 . . . . . . 364 Q QB . 16129 1 482 . 1 1 37 37 GLN HE21 H 1 6.862 0.001 . . . . . . 364 Q HE21 . 16129 1 483 . 1 1 37 37 GLN HE22 H 1 7.301 0.001 . . . . . . 364 Q HE22 . 16129 1 484 . 1 1 37 37 GLN HG2 H 1 2.378 0.000 . . . . . . 364 Q HG2 . 16129 1 485 . 1 1 37 37 GLN HG3 H 1 2.532 0.000 . . . . . . 364 Q HG3 . 16129 1 486 . 1 1 37 37 GLN C C 13 177.622 0.000 . . . . . . 364 Q C . 16129 1 487 . 1 1 37 37 GLN CA C 13 58.638 0.000 . . . . . . 364 Q CA . 16129 1 488 . 1 1 37 37 GLN CB C 13 28.205 0.000 . . . . . . 364 Q CB . 16129 1 489 . 1 1 37 37 GLN CD C 13 179.995 0.010 . . . . . . 364 Q CD . 16129 1 490 . 1 1 37 37 GLN CG C 13 33.321 0.005 . . . . . . 364 Q CG . 16129 1 491 . 1 1 37 37 GLN N N 15 122.443 0.000 . . . . . . 364 Q N . 16129 1 492 . 1 1 37 37 GLN NE2 N 15 111.036 0.001 . . . . . . 364 Q NE2 . 16129 1 493 . 1 1 38 38 ARG H H 1 8.823 0.000 . . . . . . 365 R HN . 16129 1 494 . 1 1 38 38 ARG HA H 1 3.863 0.000 . . . . . . 365 R HA . 16129 1 495 . 1 1 38 38 ARG HB2 H 1 1.879 0.000 . . . . . . 365 R HB2 . 16129 1 496 . 1 1 38 38 ARG HB3 H 1 2.559 0.000 . . . . . . 365 R HB3 . 16129 1 497 . 1 1 38 38 ARG HD2 H 1 2.961 0.000 . . . . . . 365 R HD2 . 16129 1 498 . 1 1 38 38 ARG HD3 H 1 3.309 0.000 . . . . . . 365 R HD3 . 16129 1 499 . 1 1 38 38 ARG HG2 H 1 1.423 0.000 . . . . . . 365 R HG2 . 16129 1 500 . 1 1 38 38 ARG HG3 H 1 1.694 0.000 . . . . . . 365 R HG3 . 16129 1 501 . 1 1 38 38 ARG C C 13 178.485 0.000 . . . . . . 365 R C . 16129 1 502 . 1 1 38 38 ARG CA C 13 60.415 0.000 . . . . . . 365 R CA . 16129 1 503 . 1 1 38 38 ARG CB C 13 29.661 0.000 . . . . . . 365 R CB . 16129 1 504 . 1 1 38 38 ARG CD C 13 43.366 0.003 . . . . . . 365 R CD . 16129 1 505 . 1 1 38 38 ARG CG C 13 26.727 0.005 . . . . . . 365 R CG . 16129 1 506 . 1 1 38 38 ARG N N 15 121.940 0.000 . . . . . . 365 R N . 16129 1 507 . 1 1 39 39 GLU H H 1 8.236 0.000 . . . . . . 366 E HN . 16129 1 508 . 1 1 39 39 GLU HA H 1 4.041 0.000 . . . . . . 366 E HA . 16129 1 509 . 1 1 39 39 GLU HB2 H 1 2.163 0.000 . . . . . . 366 E QB . 16129 1 510 . 1 1 39 39 GLU HB3 H 1 2.163 0.000 . . . . . . 366 E QB . 16129 1 511 . 1 1 39 39 GLU HG2 H 1 2.490 0.000 . . . . . . 366 E HG2 . 16129 1 512 . 1 1 39 39 GLU HG3 H 1 2.552 0.000 . . . . . . 366 E HG3 . 16129 1 513 . 1 1 39 39 GLU C C 13 179.110 0.000 . . . . . . 366 E C . 16129 1 514 . 1 1 39 39 GLU CA C 13 58.706 0.000 . . . . . . 366 E CA . 16129 1 515 . 1 1 39 39 GLU CB C 13 29.080 0.000 . . . . . . 366 E CB . 16129 1 516 . 1 1 39 39 GLU CG C 13 36.520 0.009 . . . . . . 366 E CG . 16129 1 517 . 1 1 39 39 GLU N N 15 116.682 0.000 . . . . . . 366 E N . 16129 1 518 . 1 1 40 40 ALA H H 1 8.254 0.000 . . . . . . 367 A HN . 16129 1 519 . 1 1 40 40 ALA HA H 1 4.156 0.000 . . . . . . 367 A HA . 16129 1 520 . 1 1 40 40 ALA HB1 H 1 1.550 0.000 . . . . . . 367 A QB . 16129 1 521 . 1 1 40 40 ALA HB2 H 1 1.550 0.000 . . . . . . 367 A QB . 16129 1 522 . 1 1 40 40 ALA HB3 H 1 1.550 0.000 . . . . . . 367 A QB . 16129 1 523 . 1 1 40 40 ALA C C 13 181.324 0.000 . . . . . . 367 A C . 16129 1 524 . 1 1 40 40 ALA CA C 13 55.347 0.000 . . . . . . 367 A CA . 16129 1 525 . 1 1 40 40 ALA CB C 13 17.967 0.000 . . . . . . 367 A CB . 16129 1 526 . 1 1 40 40 ALA N N 15 123.568 0.000 . . . . . . 367 A N . 16129 1 527 . 1 1 41 41 LEU H H 1 8.670 0.000 . . . . . . 368 L HN . 16129 1 528 . 1 1 41 41 LEU HA H 1 4.056 0.000 . . . . . . 368 L HA . 16129 1 529 . 1 1 41 41 LEU HB2 H 1 1.242 0.000 . . . . . . 368 L HB2 . 16129 1 530 . 1 1 41 41 LEU HB3 H 1 2.040 0.000 . . . . . . 368 L HB3 . 16129 1 531 . 1 1 41 41 LEU HD11 H 1 0.826 0.000 . . . . . . 368 L QD1 . 16129 1 532 . 1 1 41 41 LEU HD12 H 1 0.826 0.000 . . . . . . 368 L QD1 . 16129 1 533 . 1 1 41 41 LEU HD13 H 1 0.826 0.000 . . . . . . 368 L QD1 . 16129 1 534 . 1 1 41 41 LEU HD21 H 1 0.887 0.000 . . . . . . 368 L QD2 . 16129 1 535 . 1 1 41 41 LEU HD22 H 1 0.887 0.000 . . . . . . 368 L QD2 . 16129 1 536 . 1 1 41 41 LEU HD23 H 1 0.887 0.000 . . . . . . 368 L QD2 . 16129 1 537 . 1 1 41 41 LEU HG H 1 1.910 0.000 . . . . . . 368 L HG . 16129 1 538 . 1 1 41 41 LEU C C 13 179.023 0.000 . . . . . . 368 L C . 16129 1 539 . 1 1 41 41 LEU CA C 13 57.881 0.000 . . . . . . 368 L CA . 16129 1 540 . 1 1 41 41 LEU CB C 13 43.179 0.001 . . . . . . 368 L CB . 16129 1 541 . 1 1 41 41 LEU CD1 C 13 26.900 0.000 . . . . . . 368 L CD1 . 16129 1 542 . 1 1 41 41 LEU CD2 C 13 23.083 0.000 . . . . . . 368 L CD2 . 16129 1 543 . 1 1 41 41 LEU CG C 13 27.092 0.000 . . . . . . 368 L CG . 16129 1 544 . 1 1 41 41 LEU N N 15 120.043 0.000 . . . . . . 368 L N . 16129 1 545 . 1 1 42 42 LYS H H 1 8.187 0.000 . . . . . . 369 K HN . 16129 1 546 . 1 1 42 42 LYS HA H 1 3.841 0.000 . . . . . . 369 K HA . 16129 1 547 . 1 1 42 42 LYS HB2 H 1 1.891 0.000 . . . . . . 369 K HB2 . 16129 1 548 . 1 1 42 42 LYS HB3 H 1 1.973 0.000 . . . . . . 369 K HB3 . 16129 1 549 . 1 1 42 42 LYS HD2 H 1 1.635 0.000 . . . . . . 369 K HD2 . 16129 1 550 . 1 1 42 42 LYS HD3 H 1 1.722 0.000 . . . . . . 369 K HD3 . 16129 1 551 . 1 1 42 42 LYS HE2 H 1 2.918 0.000 . . . . . . 369 K HE2 . 16129 1 552 . 1 1 42 42 LYS HE3 H 1 3.002 0.000 . . . . . . 369 K HE3 . 16129 1 553 . 1 1 42 42 LYS HG2 H 1 1.442 0.000 . . . . . . 369 K HG2 . 16129 1 554 . 1 1 42 42 LYS HG3 H 1 1.700 0.000 . . . . . . 369 K HG3 . 16129 1 555 . 1 1 42 42 LYS C C 13 179.192 0.000 . . . . . . 369 K C . 16129 1 556 . 1 1 42 42 LYS CA C 13 60.020 0.000 . . . . . . 369 K CA . 16129 1 557 . 1 1 42 42 LYS CB C 13 32.106 0.003 . . . . . . 369 K CB . 16129 1 558 . 1 1 42 42 LYS CD C 13 29.494 0.005 . . . . . . 369 K CD . 16129 1 559 . 1 1 42 42 LYS CE C 13 41.691 0.009 . . . . . . 369 K CE . 16129 1 560 . 1 1 42 42 LYS CG C 13 25.423 0.004 . . . . . . 369 K CG . 16129 1 561 . 1 1 42 42 LYS N N 15 119.035 0.000 . . . . . . 369 K N . 16129 1 562 . 1 1 43 43 LYS H H 1 7.814 0.000 . . . . . . 370 K HN . 16129 1 563 . 1 1 43 43 LYS HA H 1 4.120 0.000 . . . . . . 370 K HA . 16129 1 564 . 1 1 43 43 LYS HB2 H 1 1.924 0.000 . . . . . . 370 K QB . 16129 1 565 . 1 1 43 43 LYS HB3 H 1 1.924 0.000 . . . . . . 370 K QB . 16129 1 566 . 1 1 43 43 LYS HD2 H 1 1.705 0.000 . . . . . . 370 K QD . 16129 1 567 . 1 1 43 43 LYS HD3 H 1 1.705 0.000 . . . . . . 370 K QD . 16129 1 568 . 1 1 43 43 LYS HE2 H 1 2.980 0.000 . . . . . . 370 K QE . 16129 1 569 . 1 1 43 43 LYS HE3 H 1 2.980 0.000 . . . . . . 370 K QE . 16129 1 570 . 1 1 43 43 LYS HG2 H 1 1.448 0.000 . . . . . . 370 K HG2 . 16129 1 571 . 1 1 43 43 LYS HG3 H 1 1.627 0.000 . . . . . . 370 K HG3 . 16129 1 572 . 1 1 43 43 LYS C C 13 179.031 0.000 . . . . . . 370 K C . 16129 1 573 . 1 1 43 43 LYS CA C 13 59.301 0.000 . . . . . . 370 K CA . 16129 1 574 . 1 1 43 43 LYS CB C 13 32.201 0.000 . . . . . . 370 K CB . 16129 1 575 . 1 1 43 43 LYS CD C 13 29.251 0.000 . . . . . . 370 K CD . 16129 1 576 . 1 1 43 43 LYS CE C 13 42.153 0.000 . . . . . . 370 K CE . 16129 1 577 . 1 1 43 43 LYS CG C 13 25.308 0.003 . . . . . . 370 K CG . 16129 1 578 . 1 1 43 43 LYS N N 15 119.002 0.000 . . . . . . 370 K N . 16129 1 579 . 1 1 44 44 MET H H 1 7.805 0.000 . . . . . . 371 M HN . 16129 1 580 . 1 1 44 44 MET HA H 1 3.967 0.000 . . . . . . 371 M HA . 16129 1 581 . 1 1 44 44 MET HB2 H 1 1.794 0.000 . . . . . . 371 M HB2 . 16129 1 582 . 1 1 44 44 MET HB3 H 1 2.020 0.000 . . . . . . 371 M HB3 . 16129 1 583 . 1 1 44 44 MET HE1 H 1 2.034 0.000 . . . . . . 371 M QE . 16129 1 584 . 1 1 44 44 MET HE2 H 1 2.034 0.000 . . . . . . 371 M QE . 16129 1 585 . 1 1 44 44 MET HE3 H 1 2.034 0.000 . . . . . . 371 M QE . 16129 1 586 . 1 1 44 44 MET HG2 H 1 2.205 0.000 . . . . . . 371 M HG2 . 16129 1 587 . 1 1 44 44 MET HG3 H 1 2.268 0.000 . . . . . . 371 M HG3 . 16129 1 588 . 1 1 44 44 MET C C 13 176.759 0.000 . . . . . . 371 M C . 16129 1 589 . 1 1 44 44 MET CA C 13 57.712 0.000 . . . . . . 371 M CA . 16129 1 590 . 1 1 44 44 MET CB C 13 32.250 0.003 . . . . . . 371 M CB . 16129 1 591 . 1 1 44 44 MET CE C 13 16.644 0.000 . . . . . . 371 M CE . 16129 1 592 . 1 1 44 44 MET CG C 13 31.672 0.004 . . . . . . 371 M CG . 16129 1 593 . 1 1 44 44 MET N N 15 118.988 0.000 . . . . . . 371 M N . 16129 1 594 . 1 1 45 45 LYS H H 1 8.282 0.000 . . . . . . 372 K HN . 16129 1 595 . 1 1 45 45 LYS HA H 1 3.551 0.000 . . . . . . 372 K HA . 16129 1 596 . 1 1 45 45 LYS HB2 H 1 1.702 0.000 . . . . . . 372 K HB2 . 16129 1 597 . 1 1 45 45 LYS HB3 H 1 2.038 0.000 . . . . . . 372 K HB3 . 16129 1 598 . 1 1 45 45 LYS HD2 H 1 1.576 0.000 . . . . . . 372 K HD2 . 16129 1 599 . 1 1 45 45 LYS HD3 H 1 1.613 0.000 . . . . . . 372 K HD3 . 16129 1 600 . 1 1 45 45 LYS HE2 H 1 2.957 0.000 . . . . . . 372 K QE . 16129 1 601 . 1 1 45 45 LYS HE3 H 1 2.957 0.000 . . . . . . 372 K QE . 16129 1 602 . 1 1 45 45 LYS HG2 H 1 1.487 0.000 . . . . . . 372 K HG2 . 16129 1 603 . 1 1 45 45 LYS HG3 H 1 1.523 0.000 . . . . . . 372 K HG3 . 16129 1 604 . 1 1 45 45 LYS C C 13 177.611 0.000 . . . . . . 372 K C . 16129 1 605 . 1 1 45 45 LYS CA C 13 60.786 0.000 . . . . . . 372 K CA . 16129 1 606 . 1 1 45 45 LYS CB C 13 32.344 0.000 . . . . . . 372 K CB . 16129 1 607 . 1 1 45 45 LYS CD C 13 30.017 0.005 . . . . . . 372 K CD . 16129 1 608 . 1 1 45 45 LYS CE C 13 41.810 0.000 . . . . . . 372 K CE . 16129 1 609 . 1 1 45 45 LYS CG C 13 25.500 0.001 . . . . . . 372 K CG . 16129 1 610 . 1 1 45 45 LYS N N 15 119.823 0.000 . . . . . . 372 K N . 16129 1 611 . 1 1 46 46 ASP H H 1 7.624 0.000 . . . . . . 373 D HN . 16129 1 612 . 1 1 46 46 ASP HA H 1 4.395 0.000 . . . . . . 373 D HA . 16129 1 613 . 1 1 46 46 ASP HB2 H 1 2.735 0.000 . . . . . . 373 D HB2 . 16129 1 614 . 1 1 46 46 ASP HB3 H 1 2.813 0.000 . . . . . . 373 D HB3 . 16129 1 615 . 1 1 46 46 ASP C C 13 178.640 0.000 . . . . . . 373 D C . 16129 1 616 . 1 1 46 46 ASP CA C 13 57.493 0.000 . . . . . . 373 D CA . 16129 1 617 . 1 1 46 46 ASP CB C 13 41.059 0.002 . . . . . . 373 D CB . 16129 1 618 . 1 1 46 46 ASP N N 15 117.432 0.000 . . . . . . 373 D N . 16129 1 619 . 1 1 47 47 VAL H H 1 7.748 0.000 . . . . . . 374 V HN . 16129 1 620 . 1 1 47 47 VAL HA H 1 3.683 0.000 . . . . . . 374 V HA . 16129 1 621 . 1 1 47 47 VAL HB H 1 2.279 0.000 . . . . . . 374 V HB . 16129 1 622 . 1 1 47 47 VAL HG11 H 1 1.032 0.000 . . . . . . 374 V QG1 . 16129 1 623 . 1 1 47 47 VAL HG12 H 1 1.032 0.000 . . . . . . 374 V QG1 . 16129 1 624 . 1 1 47 47 VAL HG13 H 1 1.032 0.000 . . . . . . 374 V QG1 . 16129 1 625 . 1 1 47 47 VAL HG21 H 1 1.098 0.000 . . . . . . 374 V QG2 . 16129 1 626 . 1 1 47 47 VAL HG22 H 1 1.098 0.000 . . . . . . 374 V QG2 . 16129 1 627 . 1 1 47 47 VAL HG23 H 1 1.098 0.000 . . . . . . 374 V QG2 . 16129 1 628 . 1 1 47 47 VAL C C 13 178.981 0.000 . . . . . . 374 V C . 16129 1 629 . 1 1 47 47 VAL CA C 13 66.671 0.000 . . . . . . 374 V CA . 16129 1 630 . 1 1 47 47 VAL CB C 13 31.387 0.000 . . . . . . 374 V CB . 16129 1 631 . 1 1 47 47 VAL CG1 C 13 21.580 0.000 . . . . . . 374 V CG1 . 16129 1 632 . 1 1 47 47 VAL CG2 C 13 22.723 0.000 . . . . . . 374 V CG2 . 16129 1 633 . 1 1 47 47 VAL N N 15 119.830 0.000 . . . . . . 374 V N . 16129 1 634 . 1 1 48 48 TYR H H 1 8.454 0.000 . . . . . . 375 Y HN . 16129 1 635 . 1 1 48 48 TYR HA H 1 4.409 0.000 . . . . . . 375 Y HA . 16129 1 636 . 1 1 48 48 TYR HB2 H 1 3.017 0.000 . . . . . . 375 Y QB . 16129 1 637 . 1 1 48 48 TYR HB3 H 1 3.017 0.000 . . . . . . 375 Y QB . 16129 1 638 . 1 1 48 48 TYR HD1 H 1 6.632 0.000 . . . . . . 375 Y QD . 16129 1 639 . 1 1 48 48 TYR HD2 H 1 6.632 0.000 . . . . . . 375 Y QD . 16129 1 640 . 1 1 48 48 TYR HE1 H 1 6.610 0.000 . . . . . . 375 Y QE . 16129 1 641 . 1 1 48 48 TYR HE2 H 1 6.610 0.000 . . . . . . 375 Y QE . 16129 1 642 . 1 1 48 48 TYR C C 13 177.613 0.000 . . . . . . 375 Y C . 16129 1 643 . 1 1 48 48 TYR CA C 13 57.515 0.000 . . . . . . 375 Y CA . 16129 1 644 . 1 1 48 48 TYR CB C 13 36.365 0.000 . . . . . . 375 Y CB . 16129 1 645 . 1 1 48 48 TYR CD1 C 13 130.419 0.000 . . . . . . 375 Y CD1 . 16129 1 646 . 1 1 48 48 TYR CE1 C 13 117.697 0.000 . . . . . . 375 Y CE1 . 16129 1 647 . 1 1 48 48 TYR N N 15 120.201 0.000 . . . . . . 375 Y N . 16129 1 648 . 1 1 49 49 GLU H H 1 8.401 0.000 . . . . . . 376 E HN . 16129 1 649 . 1 1 49 49 GLU HA H 1 4.041 0.000 . . . . . . 376 E HA . 16129 1 650 . 1 1 49 49 GLU HB2 H 1 2.092 0.000 . . . . . . 376 E HB2 . 16129 1 651 . 1 1 49 49 GLU HB3 H 1 2.280 0.000 . . . . . . 376 E HB3 . 16129 1 652 . 1 1 49 49 GLU HG2 H 1 2.285 0.000 . . . . . . 376 E HG2 . 16129 1 653 . 1 1 49 49 GLU HG3 H 1 2.595 0.000 . . . . . . 376 E HG3 . 16129 1 654 . 1 1 49 49 GLU C C 13 178.728 0.000 . . . . . . 376 E C . 16129 1 655 . 1 1 49 49 GLU CA C 13 59.219 0.000 . . . . . . 376 E CA . 16129 1 656 . 1 1 49 49 GLU CB C 13 29.932 0.008 . . . . . . 376 E CB . 16129 1 657 . 1 1 49 49 GLU CG C 13 37.142 0.006 . . . . . . 376 E CG . 16129 1 658 . 1 1 49 49 GLU N N 15 116.961 0.000 . . . . . . 376 E N . 16129 1 659 . 1 1 50 50 LYS H H 1 7.658 0.000 . . . . . . 377 K HN . 16129 1 660 . 1 1 50 50 LYS HA H 1 4.297 0.000 . . . . . . 377 K HA . 16129 1 661 . 1 1 50 50 LYS HB2 H 1 1.973 0.000 . . . . . . 377 K HB2 . 16129 1 662 . 1 1 50 50 LYS HB3 H 1 2.014 0.000 . . . . . . 377 K HB3 . 16129 1 663 . 1 1 50 50 LYS HD2 H 1 1.699 0.000 . . . . . . 377 K QD . 16129 1 664 . 1 1 50 50 LYS HD3 H 1 1.699 0.000 . . . . . . 377 K QD . 16129 1 665 . 1 1 50 50 LYS HE2 H 1 3.017 0.000 . . . . . . 377 K QE . 16129 1 666 . 1 1 50 50 LYS HE3 H 1 3.017 0.000 . . . . . . 377 K QE . 16129 1 667 . 1 1 50 50 LYS HG2 H 1 1.557 0.000 . . . . . . 377 K HG2 . 16129 1 668 . 1 1 50 50 LYS HG3 H 1 1.637 0.000 . . . . . . 377 K HG3 . 16129 1 669 . 1 1 50 50 LYS C C 13 177.383 0.000 . . . . . . 377 K C . 16129 1 670 . 1 1 50 50 LYS CA C 13 57.834 0.000 . . . . . . 377 K CA . 16129 1 671 . 1 1 50 50 LYS CB C 13 33.591 0.000 . . . . . . 377 K CB . 16129 1 672 . 1 1 50 50 LYS CD C 13 28.930 0.000 . . . . . . 377 K CD . 16129 1 673 . 1 1 50 50 LYS CE C 13 42.303 0.000 . . . . . . 377 K CE . 16129 1 674 . 1 1 50 50 LYS CG C 13 25.689 0.001 . . . . . . 377 K CG . 16129 1 675 . 1 1 50 50 LYS N N 15 116.817 0.000 . . . . . . 377 K N . 16129 1 676 . 1 1 51 51 THR H H 1 8.116 0.000 . . . . . . 378 T HN . 16129 1 677 . 1 1 51 51 THR HA H 1 4.734 0.000 . . . . . . 378 T HA . 16129 1 678 . 1 1 51 51 THR HB H 1 4.295 0.000 . . . . . . 378 T HB . 16129 1 679 . 1 1 51 51 THR HG21 H 1 1.273 0.000 . . . . . . 378 T QG2 . 16129 1 680 . 1 1 51 51 THR HG22 H 1 1.273 0.000 . . . . . . 378 T QG2 . 16129 1 681 . 1 1 51 51 THR HG23 H 1 1.273 0.000 . . . . . . 378 T QG2 . 16129 1 682 . 1 1 51 51 THR CA C 13 58.863 0.000 . . . . . . 378 T CA . 16129 1 683 . 1 1 51 51 THR CB C 13 69.208 0.000 . . . . . . 378 T CB . 16129 1 684 . 1 1 51 51 THR CG2 C 13 22.551 0.000 . . . . . . 378 T CG2 . 16129 1 685 . 1 1 51 51 THR N N 15 114.517 0.000 . . . . . . 378 T N . 16129 1 686 . 1 1 52 52 PRO HA H 1 4.961 0.000 . . . . . . 379 P HA . 16129 1 687 . 1 1 52 52 PRO HB2 H 1 1.987 0.000 . . . . . . 379 P HB2 . 16129 1 688 . 1 1 52 52 PRO HB3 H 1 2.474 0.000 . . . . . . 379 P HB3 . 16129 1 689 . 1 1 52 52 PRO HD2 H 1 3.547 0.000 . . . . . . 379 P HD2 . 16129 1 690 . 1 1 52 52 PRO HD3 H 1 3.766 0.000 . . . . . . 379 P HD3 . 16129 1 691 . 1 1 52 52 PRO HG2 H 1 2.002 0.000 . . . . . . 379 P HG2 . 16129 1 692 . 1 1 52 52 PRO HG3 H 1 2.092 0.000 . . . . . . 379 P HG3 . 16129 1 693 . 1 1 52 52 PRO C C 13 177.729 0.000 . . . . . . 379 P C . 16129 1 694 . 1 1 52 52 PRO CA C 13 64.201 0.000 . . . . . . 379 P CA . 16129 1 695 . 1 1 52 52 PRO CB C 13 31.807 0.001 . . . . . . 379 P CB . 16129 1 696 . 1 1 52 52 PRO CD C 13 50.675 0.001 . . . . . . 379 P CD . 16129 1 697 . 1 1 52 52 PRO CG C 13 27.191 0.001 . . . . . . 379 P CG . 16129 1 698 . 1 1 53 53 GLN H H 1 8.717 0.000 . . . . . . 380 Q HN . 16129 1 699 . 1 1 53 53 GLN HA H 1 4.088 0.000 . . . . . . 380 Q HA . 16129 1 700 . 1 1 53 53 GLN HB2 H 1 2.056 0.000 . . . . . . 380 Q QB . 16129 1 701 . 1 1 53 53 GLN HB3 H 1 2.056 0.000 . . . . . . 380 Q QB . 16129 1 702 . 1 1 53 53 GLN HE21 H 1 6.910 0.000 . . . . . . 380 Q HE21 . 16129 1 703 . 1 1 53 53 GLN HE22 H 1 7.588 0.000 . . . . . . 380 Q HE22 . 16129 1 704 . 1 1 53 53 GLN HG2 H 1 2.411 0.000 . . . . . . 380 Q QG . 16129 1 705 . 1 1 53 53 GLN HG3 H 1 2.411 0.000 . . . . . . 380 Q QG . 16129 1 706 . 1 1 53 53 GLN C C 13 177.377 0.000 . . . . . . 380 Q C . 16129 1 707 . 1 1 53 53 GLN CA C 13 57.901 0.000 . . . . . . 380 Q CA . 16129 1 708 . 1 1 53 53 GLN CB C 13 27.765 0.000 . . . . . . 380 Q CB . 16129 1 709 . 1 1 53 53 GLN CD C 13 180.861 0.016 . . . . . . 380 Q CD . 16129 1 710 . 1 1 53 53 GLN CG C 13 34.066 0.000 . . . . . . 380 Q CG . 16129 1 711 . 1 1 53 53 GLN N N 15 116.850 0.000 . . . . . . 380 Q N . 16129 1 712 . 1 1 53 53 GLN NE2 N 15 112.078 0.001 . . . . . . 380 Q NE2 . 16129 1 713 . 1 1 54 54 MET H H 1 8.415 0.000 . . . . . . 381 M HN . 16129 1 714 . 1 1 54 54 MET HA H 1 4.271 0.000 . . . . . . 381 M HA . 16129 1 715 . 1 1 54 54 MET HB2 H 1 2.073 0.000 . . . . . . 381 M QB . 16129 1 716 . 1 1 54 54 MET HB3 H 1 2.073 0.000 . . . . . . 381 M QB . 16129 1 717 . 1 1 54 54 MET HE1 H 1 2.137 0.000 . . . . . . 381 M QE . 16129 1 718 . 1 1 54 54 MET HE2 H 1 2.137 0.000 . . . . . . 381 M QE . 16129 1 719 . 1 1 54 54 MET HE3 H 1 2.137 0.000 . . . . . . 381 M QE . 16129 1 720 . 1 1 54 54 MET HG2 H 1 2.532 0.000 . . . . . . 381 M HG2 . 16129 1 721 . 1 1 54 54 MET HG3 H 1 2.620 0.000 . . . . . . 381 M HG3 . 16129 1 722 . 1 1 54 54 MET C C 13 175.596 0.000 . . . . . . 381 M C . 16129 1 723 . 1 1 54 54 MET CA C 13 56.437 0.000 . . . . . . 381 M CA . 16129 1 724 . 1 1 54 54 MET CB C 13 33.191 0.000 . . . . . . 381 M CB . 16129 1 725 . 1 1 54 54 MET CE C 13 17.084 0.000 . . . . . . 381 M CE . 16129 1 726 . 1 1 54 54 MET CG C 13 32.989 0.002 . . . . . . 381 M CG . 16129 1 727 . 1 1 54 54 MET N N 15 116.994 0.000 . . . . . . 381 M N . 16129 1 728 . 1 1 55 55 GLY H H 1 7.144 0.000 . . . . . . 382 G HN . 16129 1 729 . 1 1 55 55 GLY HA2 H 1 2.624 0.000 . . . . . . 382 G HA1 . 16129 1 730 . 1 1 55 55 GLY HA3 H 1 3.383 0.000 . . . . . . 382 G HA2 . 16129 1 731 . 1 1 55 55 GLY C C 13 169.494 0.000 . . . . . . 382 G C . 16129 1 732 . 1 1 55 55 GLY CA C 13 44.252 0.005 . . . . . . 382 G CA . 16129 1 733 . 1 1 55 55 GLY N N 15 106.317 0.000 . . . . . . 382 G N . 16129 1 734 . 1 1 56 56 ASP H H 1 7.991 0.000 . . . . . . 383 D HN . 16129 1 735 . 1 1 56 56 ASP HA H 1 5.133 0.000 . . . . . . 383 D HA . 16129 1 736 . 1 1 56 56 ASP HB2 H 1 2.653 0.000 . . . . . . 383 D HB2 . 16129 1 737 . 1 1 56 56 ASP HB3 H 1 2.827 0.000 . . . . . . 383 D HB3 . 16129 1 738 . 1 1 56 56 ASP CA C 13 50.074 0.000 . . . . . . 383 D CA . 16129 1 739 . 1 1 56 56 ASP CB C 13 42.332 0.003 . . . . . . 383 D CB . 16129 1 740 . 1 1 56 56 ASP N N 15 117.234 0.000 . . . . . . 383 D N . 16129 1 741 . 1 1 57 57 PRO HA H 1 4.344 0.000 . . . . . . 384 P HA . 16129 1 742 . 1 1 57 57 PRO HB2 H 1 2.245 0.000 . . . . . . 384 P HB2 . 16129 1 743 . 1 1 57 57 PRO HB3 H 1 2.443 0.000 . . . . . . 384 P HB3 . 16129 1 744 . 1 1 57 57 PRO HD2 H 1 4.085 0.000 . . . . . . 384 P HD2 . 16129 1 745 . 1 1 57 57 PRO HD3 H 1 4.311 0.000 . . . . . . 384 P HD3 . 16129 1 746 . 1 1 57 57 PRO HG2 H 1 2.066 0.000 . . . . . . 384 P HG2 . 16129 1 747 . 1 1 57 57 PRO HG3 H 1 2.312 0.000 . . . . . . 384 P HG3 . 16129 1 748 . 1 1 57 57 PRO C C 13 177.769 0.000 . . . . . . 384 P C . 16129 1 749 . 1 1 57 57 PRO CA C 13 65.644 0.000 . . . . . . 384 P CA . 16129 1 750 . 1 1 57 57 PRO CB C 13 32.350 0.001 . . . . . . 384 P CB . 16129 1 751 . 1 1 57 57 PRO CD C 13 51.411 0.000 . . . . . . 384 P CD . 16129 1 752 . 1 1 57 57 PRO CG C 13 27.245 0.002 . . . . . . 384 P CG . 16129 1 753 . 1 1 58 58 ALA H H 1 8.277 0.000 . . . . . . 385 A HN . 16129 1 754 . 1 1 58 58 ALA HA H 1 4.266 0.000 . . . . . . 385 A HA . 16129 1 755 . 1 1 58 58 ALA HB1 H 1 1.497 0.000 . . . . . . 385 A QB . 16129 1 756 . 1 1 58 58 ALA HB2 H 1 1.497 0.000 . . . . . . 385 A QB . 16129 1 757 . 1 1 58 58 ALA HB3 H 1 1.497 0.000 . . . . . . 385 A QB . 16129 1 758 . 1 1 58 58 ALA C C 13 180.978 0.000 . . . . . . 385 A C . 16129 1 759 . 1 1 58 58 ALA CA C 13 54.588 0.000 . . . . . . 385 A CA . 16129 1 760 . 1 1 58 58 ALA CB C 13 18.226 0.000 . . . . . . 385 A CB . 16129 1 761 . 1 1 58 58 ALA N N 15 119.498 0.000 . . . . . . 385 A N . 16129 1 762 . 1 1 59 59 SER H H 1 8.055 0.000 . . . . . . 386 S HN . 16129 1 763 . 1 1 59 59 SER HA H 1 4.292 0.000 . . . . . . 386 S HA . 16129 1 764 . 1 1 59 59 SER HB2 H 1 4.105 0.000 . . . . . . 386 S QB . 16129 1 765 . 1 1 59 59 SER HB3 H 1 4.105 0.000 . . . . . . 386 S QB . 16129 1 766 . 1 1 59 59 SER CA C 13 60.718 0.000 . . . . . . 386 S CA . 16129 1 767 . 1 1 59 59 SER CB C 13 63.634 0.000 . . . . . . 386 S CB . 16129 1 768 . 1 1 59 59 SER N N 15 113.644 0.000 . . . . . . 386 S N . 16129 1 769 . 1 1 60 60 LEU H H 1 7.454 0.000 . . . . . . 387 L HN . 16129 1 770 . 1 1 60 60 LEU HA H 1 4.516 0.000 . . . . . . 387 L HA . 16129 1 771 . 1 1 60 60 LEU HB2 H 1 1.561 0.000 . . . . . . 387 L HB2 . 16129 1 772 . 1 1 60 60 LEU HB3 H 1 1.832 0.000 . . . . . . 387 L HB3 . 16129 1 773 . 1 1 60 60 LEU HD11 H 1 0.733 0.000 . . . . . . 387 L QD1 . 16129 1 774 . 1 1 60 60 LEU HD12 H 1 0.733 0.000 . . . . . . 387 L QD1 . 16129 1 775 . 1 1 60 60 LEU HD13 H 1 0.733 0.000 . . . . . . 387 L QD1 . 16129 1 776 . 1 1 60 60 LEU HD21 H 1 0.879 0.000 . . . . . . 387 L QD2 . 16129 1 777 . 1 1 60 60 LEU HD22 H 1 0.879 0.000 . . . . . . 387 L QD2 . 16129 1 778 . 1 1 60 60 LEU HD23 H 1 0.879 0.000 . . . . . . 387 L QD2 . 16129 1 779 . 1 1 60 60 LEU HG H 1 1.751 0.000 . . . . . . 387 L HG . 16129 1 780 . 1 1 60 60 LEU C C 13 177.895 0.000 . . . . . . 387 L C . 16129 1 781 . 1 1 60 60 LEU CA C 13 55.137 0.000 . . . . . . 387 L CA . 16129 1 782 . 1 1 60 60 LEU CB C 13 42.901 0.001 . . . . . . 387 L CB . 16129 1 783 . 1 1 60 60 LEU CD1 C 13 25.916 0.000 . . . . . . 387 L CD1 . 16129 1 784 . 1 1 60 60 LEU CD2 C 13 22.846 0.000 . . . . . . 387 L CD2 . 16129 1 785 . 1 1 60 60 LEU CG C 13 27.130 0.000 . . . . . . 387 L CG . 16129 1 786 . 1 1 60 60 LEU N N 15 119.767 0.000 . . . . . . 387 L N . 16129 1 787 . 1 1 61 61 GLU H H 1 7.534 0.000 . . . . . . 388 E HN . 16129 1 788 . 1 1 61 61 GLU HA H 1 4.186 0.000 . . . . . . 388 E HA . 16129 1 789 . 1 1 61 61 GLU HB2 H 1 2.197 0.000 . . . . . . 388 E HB2 . 16129 1 790 . 1 1 61 61 GLU HB3 H 1 2.261 0.000 . . . . . . 388 E HB3 . 16129 1 791 . 1 1 61 61 GLU HG2 H 1 2.342 0.000 . . . . . . 388 E HG2 . 16129 1 792 . 1 1 61 61 GLU HG3 H 1 2.518 0.000 . . . . . . 388 E HG3 . 16129 1 793 . 1 1 61 61 GLU CA C 13 61.184 0.000 . . . . . . 388 E CA . 16129 1 794 . 1 1 61 61 GLU CB C 13 26.826 0.003 . . . . . . 388 E CB . 16129 1 795 . 1 1 61 61 GLU CG C 13 36.192 0.003 . . . . . . 388 E CG . 16129 1 796 . 1 1 61 61 GLU N N 15 118.384 0.000 . . . . . . 388 E N . 16129 1 797 . 1 1 62 62 PRO HA H 1 4.460 0.000 . . . . . . 389 P HA . 16129 1 798 . 1 1 62 62 PRO HB2 H 1 1.958 0.000 . . . . . . 389 P HB2 . 16129 1 799 . 1 1 62 62 PRO HB3 H 1 2.406 0.000 . . . . . . 389 P HB3 . 16129 1 800 . 1 1 62 62 PRO HD2 H 1 3.763 0.000 . . . . . . 389 P HD2 . 16129 1 801 . 1 1 62 62 PRO HD3 H 1 3.821 0.000 . . . . . . 389 P HD3 . 16129 1 802 . 1 1 62 62 PRO HG2 H 1 2.025 0.000 . . . . . . 389 P HG2 . 16129 1 803 . 1 1 62 62 PRO HG3 H 1 2.172 0.000 . . . . . . 389 P HG3 . 16129 1 804 . 1 1 62 62 PRO C C 13 179.643 0.000 . . . . . . 389 P C . 16129 1 805 . 1 1 62 62 PRO CA C 13 66.133 0.000 . . . . . . 389 P CA . 16129 1 806 . 1 1 62 62 PRO CB C 13 30.900 0.003 . . . . . . 389 P CB . 16129 1 807 . 1 1 62 62 PRO CD C 13 50.347 0.003 . . . . . . 389 P CD . 16129 1 808 . 1 1 62 62 PRO CG C 13 28.438 0.002 . . . . . . 389 P CG . 16129 1 809 . 1 1 63 63 GLN H H 1 7.427 0.000 . . . . . . 390 Q HN . 16129 1 810 . 1 1 63 63 GLN HA H 1 4.269 0.000 . . . . . . 390 Q HA . 16129 1 811 . 1 1 63 63 GLN HB2 H 1 2.208 0.000 . . . . . . 390 Q QB . 16129 1 812 . 1 1 63 63 GLN HB3 H 1 2.208 0.000 . . . . . . 390 Q QB . 16129 1 813 . 1 1 63 63 GLN HE21 H 1 6.851 0.002 . . . . . . 390 Q HE21 . 16129 1 814 . 1 1 63 63 GLN HE22 H 1 7.492 0.001 . . . . . . 390 Q HE22 . 16129 1 815 . 1 1 63 63 GLN HG2 H 1 2.441 0.000 . . . . . . 390 Q HG2 . 16129 1 816 . 1 1 63 63 GLN HG3 H 1 2.487 0.000 . . . . . . 390 Q HG3 . 16129 1 817 . 1 1 63 63 GLN C C 13 179.544 0.000 . . . . . . 390 Q C . 16129 1 818 . 1 1 63 63 GLN CA C 13 58.819 0.000 . . . . . . 390 Q CA . 16129 1 819 . 1 1 63 63 GLN CB C 13 29.370 0.000 . . . . . . 390 Q CB . 16129 1 820 . 1 1 63 63 GLN CD C 13 179.534 0.011 . . . . . . 390 Q CD . 16129 1 821 . 1 1 63 63 GLN CG C 13 34.942 0.001 . . . . . . 390 Q CG . 16129 1 822 . 1 1 63 63 GLN N N 15 116.935 0.000 . . . . . . 390 Q N . 16129 1 823 . 1 1 63 63 GLN NE2 N 15 110.986 0.010 . . . . . . 390 Q NE2 . 16129 1 824 . 1 1 64 64 ILE H H 1 8.509 0.000 . . . . . . 391 I HN . 16129 1 825 . 1 1 64 64 ILE HA H 1 3.536 0.000 . . . . . . 391 I HA . 16129 1 826 . 1 1 64 64 ILE HB H 1 1.952 0.000 . . . . . . 391 I HB . 16129 1 827 . 1 1 64 64 ILE HD11 H 1 0.767 0.000 . . . . . . 391 I QD1 . 16129 1 828 . 1 1 64 64 ILE HD12 H 1 0.767 0.000 . . . . . . 391 I QD1 . 16129 1 829 . 1 1 64 64 ILE HD13 H 1 0.767 0.000 . . . . . . 391 I QD1 . 16129 1 830 . 1 1 64 64 ILE HG12 H 1 0.896 0.000 . . . . . . 391 I HG12 . 16129 1 831 . 1 1 64 64 ILE HG13 H 1 1.838 0.000 . . . . . . 391 I HG13 . 16129 1 832 . 1 1 64 64 ILE HG21 H 1 0.938 0.000 . . . . . . 391 I QG2 . 16129 1 833 . 1 1 64 64 ILE HG22 H 1 0.938 0.000 . . . . . . 391 I QG2 . 16129 1 834 . 1 1 64 64 ILE HG23 H 1 0.938 0.000 . . . . . . 391 I QG2 . 16129 1 835 . 1 1 64 64 ILE C C 13 177.444 0.000 . . . . . . 391 I C . 16129 1 836 . 1 1 64 64 ILE CA C 13 66.613 0.000 . . . . . . 391 I CA . 16129 1 837 . 1 1 64 64 ILE CB C 13 38.355 0.000 . . . . . . 391 I CB . 16129 1 838 . 1 1 64 64 ILE CD1 C 13 13.647 0.000 . . . . . . 391 I CD1 . 16129 1 839 . 1 1 64 64 ILE CG1 C 13 31.868 0.004 . . . . . . 391 I CG1 . 16129 1 840 . 1 1 64 64 ILE CG2 C 13 17.100 0.000 . . . . . . 391 I CG2 . 16129 1 841 . 1 1 64 64 ILE N N 15 123.308 0.000 . . . . . . 391 I N . 16129 1 842 . 1 1 65 65 ALA H H 1 8.371 0.000 . . . . . . 392 A HN . 16129 1 843 . 1 1 65 65 ALA HA H 1 4.105 0.000 . . . . . . 392 A HA . 16129 1 844 . 1 1 65 65 ALA HB1 H 1 1.529 0.000 . . . . . . 392 A QB . 16129 1 845 . 1 1 65 65 ALA HB2 H 1 1.529 0.000 . . . . . . 392 A QB . 16129 1 846 . 1 1 65 65 ALA HB3 H 1 1.529 0.000 . . . . . . 392 A QB . 16129 1 847 . 1 1 65 65 ALA C C 13 180.790 0.000 . . . . . . 392 A C . 16129 1 848 . 1 1 65 65 ALA CA C 13 55.573 0.000 . . . . . . 392 A CA . 16129 1 849 . 1 1 65 65 ALA CB C 13 17.907 0.000 . . . . . . 392 A CB . 16129 1 850 . 1 1 65 65 ALA N N 15 121.724 0.000 . . . . . . 392 A N . 16129 1 851 . 1 1 66 66 GLU H H 1 8.008 0.000 . . . . . . 393 E HN . 16129 1 852 . 1 1 66 66 GLU HA H 1 4.104 0.000 . . . . . . 393 E HA . 16129 1 853 . 1 1 66 66 GLU HB2 H 1 2.157 0.000 . . . . . . 393 E HB2 . 16129 1 854 . 1 1 66 66 GLU HB3 H 1 2.189 0.000 . . . . . . 393 E HB3 . 16129 1 855 . 1 1 66 66 GLU HG2 H 1 2.319 0.000 . . . . . . 393 E HG2 . 16129 1 856 . 1 1 66 66 GLU HG3 H 1 2.383 0.000 . . . . . . 393 E HG3 . 16129 1 857 . 1 1 66 66 GLU C C 13 178.585 0.000 . . . . . . 393 E C . 16129 1 858 . 1 1 66 66 GLU CA C 13 59.419 0.000 . . . . . . 393 E CA . 16129 1 859 . 1 1 66 66 GLU CB C 13 29.698 0.008 . . . . . . 393 E CB . 16129 1 860 . 1 1 66 66 GLU CG C 13 35.920 0.001 . . . . . . 393 E CG . 16129 1 861 . 1 1 66 66 GLU N N 15 119.165 0.000 . . . . . . 393 E N . 16129 1 862 . 1 1 67 67 THR H H 1 8.071 0.000 . . . . . . 394 T HN . 16129 1 863 . 1 1 67 67 THR HA H 1 4.255 0.000 . . . . . . 394 T HA . 16129 1 864 . 1 1 67 67 THR HB H 1 4.250 0.000 . . . . . . 394 T HB . 16129 1 865 . 1 1 67 67 THR HG21 H 1 1.386 0.000 . . . . . . 394 T QG2 . 16129 1 866 . 1 1 67 67 THR HG22 H 1 1.386 0.000 . . . . . . 394 T QG2 . 16129 1 867 . 1 1 67 67 THR HG23 H 1 1.386 0.000 . . . . . . 394 T QG2 . 16129 1 868 . 1 1 67 67 THR C C 13 176.716 0.000 . . . . . . 394 T C . 16129 1 869 . 1 1 67 67 THR CA C 13 67.092 0.000 . . . . . . 394 T CA . 16129 1 870 . 1 1 67 67 THR CB C 13 69.039 0.000 . . . . . . 394 T CB . 16129 1 871 . 1 1 67 67 THR CG2 C 13 22.631 0.000 . . . . . . 394 T CG2 . 16129 1 872 . 1 1 67 67 THR N N 15 116.470 0.000 . . . . . . 394 T N . 16129 1 873 . 1 1 68 68 LEU H H 1 8.525 0.000 . . . . . . 395 L HN . 16129 1 874 . 1 1 68 68 LEU HA H 1 4.067 0.000 . . . . . . 395 L HA . 16129 1 875 . 1 1 68 68 LEU HB2 H 1 1.652 0.000 . . . . . . 395 L HB2 . 16129 1 876 . 1 1 68 68 LEU HB3 H 1 1.921 0.000 . . . . . . 395 L HB3 . 16129 1 877 . 1 1 68 68 LEU HD11 H 1 0.883 0.000 . . . . . . 395 L QD1 . 16129 1 878 . 1 1 68 68 LEU HD12 H 1 0.883 0.000 . . . . . . 395 L QD1 . 16129 1 879 . 1 1 68 68 LEU HD13 H 1 0.883 0.000 . . . . . . 395 L QD1 . 16129 1 880 . 1 1 68 68 LEU HD21 H 1 0.912 0.000 . . . . . . 395 L QD2 . 16129 1 881 . 1 1 68 68 LEU HD22 H 1 0.912 0.000 . . . . . . 395 L QD2 . 16129 1 882 . 1 1 68 68 LEU HD23 H 1 0.912 0.000 . . . . . . 395 L QD2 . 16129 1 883 . 1 1 68 68 LEU HG H 1 1.930 0.000 . . . . . . 395 L HG . 16129 1 884 . 1 1 68 68 LEU C C 13 180.160 0.000 . . . . . . 395 L C . 16129 1 885 . 1 1 68 68 LEU CA C 13 58.615 0.000 . . . . . . 395 L CA . 16129 1 886 . 1 1 68 68 LEU CB C 13 40.819 0.002 . . . . . . 395 L CB . 16129 1 887 . 1 1 68 68 LEU CD1 C 13 23.250 0.000 . . . . . . 395 L CD1 . 16129 1 888 . 1 1 68 68 LEU CD2 C 13 25.001 0.000 . . . . . . 395 L CD2 . 16129 1 889 . 1 1 68 68 LEU CG C 13 26.919 0.000 . . . . . . 395 L CG . 16129 1 890 . 1 1 68 68 LEU N N 15 120.819 0.000 . . . . . . 395 L N . 16129 1 891 . 1 1 69 69 SER H H 1 7.979 0.000 . . . . . . 396 S HN . 16129 1 892 . 1 1 69 69 SER HA H 1 4.310 0.000 . . . . . . 396 S HA . 16129 1 893 . 1 1 69 69 SER HB2 H 1 4.047 0.000 . . . . . . 396 S QB . 16129 1 894 . 1 1 69 69 SER HB3 H 1 4.047 0.000 . . . . . . 396 S QB . 16129 1 895 . 1 1 69 69 SER C C 13 177.471 0.000 . . . . . . 396 S C . 16129 1 896 . 1 1 69 69 SER CA C 13 61.530 0.000 . . . . . . 396 S CA . 16129 1 897 . 1 1 69 69 SER CB C 13 62.569 0.000 . . . . . . 396 S CB . 16129 1 898 . 1 1 69 69 SER N N 15 114.988 0.000 . . . . . . 396 S N . 16129 1 899 . 1 1 70 70 ASN H H 1 8.443 0.000 . . . . . . 397 N HN . 16129 1 900 . 1 1 70 70 ASN HA H 1 4.555 0.000 . . . . . . 397 N HA . 16129 1 901 . 1 1 70 70 ASN HB2 H 1 2.652 0.000 . . . . . . 397 N HB2 . 16129 1 902 . 1 1 70 70 ASN HB3 H 1 3.304 0.000 . . . . . . 397 N HB3 . 16129 1 903 . 1 1 70 70 ASN HD21 H 1 7.127 0.002 . . . . . . 397 N HD21 . 16129 1 904 . 1 1 70 70 ASN HD22 H 1 7.934 0.001 . . . . . . 397 N HD22 . 16129 1 905 . 1 1 70 70 ASN C C 13 177.608 0.000 . . . . . . 397 N C . 16129 1 906 . 1 1 70 70 ASN CA C 13 56.005 0.000 . . . . . . 397 N CA . 16129 1 907 . 1 1 70 70 ASN CB C 13 37.544 0.008 . . . . . . 397 N CB . 16129 1 908 . 1 1 70 70 ASN CG C 13 175.887 0.015 . . . . . . 397 N CG . 16129 1 909 . 1 1 70 70 ASN N N 15 122.025 0.000 . . . . . . 397 N N . 16129 1 910 . 1 1 70 70 ASN ND2 N 15 113.697 0.001 . . . . . . 397 N ND2 . 16129 1 911 . 1 1 71 71 ILE H H 1 8.667 0.000 . . . . . . 398 I HN . 16129 1 912 . 1 1 71 71 ILE HA H 1 3.524 0.000 . . . . . . 398 I HA . 16129 1 913 . 1 1 71 71 ILE HB H 1 2.033 0.000 . . . . . . 398 I HB . 16129 1 914 . 1 1 71 71 ILE HD11 H 1 0.925 0.000 . . . . . . 398 I QD1 . 16129 1 915 . 1 1 71 71 ILE HD12 H 1 0.925 0.000 . . . . . . 398 I QD1 . 16129 1 916 . 1 1 71 71 ILE HD13 H 1 0.925 0.000 . . . . . . 398 I QD1 . 16129 1 917 . 1 1 71 71 ILE HG12 H 1 0.882 0.000 . . . . . . 398 I HG12 . 16129 1 918 . 1 1 71 71 ILE HG13 H 1 2.085 0.000 . . . . . . 398 I HG13 . 16129 1 919 . 1 1 71 71 ILE HG21 H 1 0.882 0.000 . . . . . . 398 I QG2 . 16129 1 920 . 1 1 71 71 ILE HG22 H 1 0.882 0.000 . . . . . . 398 I QG2 . 16129 1 921 . 1 1 71 71 ILE HG23 H 1 0.882 0.000 . . . . . . 398 I QG2 . 16129 1 922 . 1 1 71 71 ILE C C 13 177.060 0.000 . . . . . . 398 I C . 16129 1 923 . 1 1 71 71 ILE CA C 13 66.430 0.000 . . . . . . 398 I CA . 16129 1 924 . 1 1 71 71 ILE CB C 13 38.420 0.000 . . . . . . 398 I CB . 16129 1 925 . 1 1 71 71 ILE CD1 C 13 15.797 0.000 . . . . . . 398 I CD1 . 16129 1 926 . 1 1 71 71 ILE CG1 C 13 31.241 0.005 . . . . . . 398 I CG1 . 16129 1 927 . 1 1 71 71 ILE CG2 C 13 16.520 0.000 . . . . . . 398 I CG2 . 16129 1 928 . 1 1 71 71 ILE N N 15 120.915 0.000 . . . . . . 398 I N . 16129 1 929 . 1 1 72 72 GLU H H 1 7.840 0.000 . . . . . . 399 E HN . 16129 1 930 . 1 1 72 72 GLU HA H 1 3.986 0.000 . . . . . . 399 E HA . 16129 1 931 . 1 1 72 72 GLU HB2 H 1 2.162 0.000 . . . . . . 399 E QB . 16129 1 932 . 1 1 72 72 GLU HB3 H 1 2.162 0.000 . . . . . . 399 E QB . 16129 1 933 . 1 1 72 72 GLU HG2 H 1 2.417 0.000 . . . . . . 399 E HG2 . 16129 1 934 . 1 1 72 72 GLU HG3 H 1 2.446 0.000 . . . . . . 399 E HG3 . 16129 1 935 . 1 1 72 72 GLU CA C 13 59.466 0.000 . . . . . . 399 E CA . 16129 1 936 . 1 1 72 72 GLU CB C 13 29.105 0.000 . . . . . . 399 E CB . 16129 1 937 . 1 1 72 72 GLU CG C 13 35.873 0.002 . . . . . . 399 E CG . 16129 1 938 . 1 1 72 72 GLU N N 15 117.359 0.000 . . . . . . 399 E N . 16129 1 939 . 1 1 73 73 ARG H H 1 7.826 0.000 . . . . . . 400 R HN . 16129 1 940 . 1 1 73 73 ARG HA H 1 4.128 0.000 . . . . . . 400 R HA . 16129 1 941 . 1 1 73 73 ARG HB2 H 1 2.002 0.000 . . . . . . 400 R HB2 . 16129 1 942 . 1 1 73 73 ARG HB3 H 1 2.098 0.000 . . . . . . 400 R HB3 . 16129 1 943 . 1 1 73 73 ARG HD2 H 1 3.228 0.000 . . . . . . 400 R HD2 . 16129 1 944 . 1 1 73 73 ARG HD3 H 1 3.381 0.000 . . . . . . 400 R HD3 . 16129 1 945 . 1 1 73 73 ARG HE H 1 7.414 0.000 . . . . . . 400 R HE . 16129 1 946 . 1 1 73 73 ARG HG2 H 1 1.559 0.000 . . . . . . 400 R HG2 . 16129 1 947 . 1 1 73 73 ARG HG3 H 1 1.783 0.000 . . . . . . 400 R HG3 . 16129 1 948 . 1 1 73 73 ARG C C 13 179.534 0.000 . . . . . . 400 R C . 16129 1 949 . 1 1 73 73 ARG CA C 13 59.519 0.000 . . . . . . 400 R CA . 16129 1 950 . 1 1 73 73 ARG CB C 13 30.322 0.005 . . . . . . 400 R CB . 16129 1 951 . 1 1 73 73 ARG CD C 13 43.080 0.005 . . . . . . 400 R CD . 16129 1 952 . 1 1 73 73 ARG CG C 13 27.502 0.010 . . . . . . 400 R CG . 16129 1 953 . 1 1 73 73 ARG CZ C 13 175.468 0.000 . . . . . . 400 R CZ . 16129 1 954 . 1 1 73 73 ARG N N 15 119.009 0.000 . . . . . . 400 R N . 16129 1 955 . 1 1 73 73 ARG NE N 15 107.360 0.000 . . . . . . 400 R NE . 16129 1 956 . 1 1 74 74 LEU H H 1 8.764 0.000 . . . . . . 401 L HN . 16129 1 957 . 1 1 74 74 LEU HA H 1 4.076 0.000 . . . . . . 401 L HA . 16129 1 958 . 1 1 74 74 LEU HB2 H 1 1.306 0.000 . . . . . . 401 L HB2 . 16129 1 959 . 1 1 74 74 LEU HB3 H 1 2.107 0.000 . . . . . . 401 L HB3 . 16129 1 960 . 1 1 74 74 LEU HD11 H 1 0.814 0.000 . . . . . . 401 L QD1 . 16129 1 961 . 1 1 74 74 LEU HD12 H 1 0.814 0.000 . . . . . . 401 L QD1 . 16129 1 962 . 1 1 74 74 LEU HD13 H 1 0.814 0.000 . . . . . . 401 L QD1 . 16129 1 963 . 1 1 74 74 LEU HD21 H 1 1.021 0.000 . . . . . . 401 L QD2 . 16129 1 964 . 1 1 74 74 LEU HD22 H 1 1.021 0.000 . . . . . . 401 L QD2 . 16129 1 965 . 1 1 74 74 LEU HD23 H 1 1.021 0.000 . . . . . . 401 L QD2 . 16129 1 966 . 1 1 74 74 LEU HG H 1 1.773 0.000 . . . . . . 401 L HG . 16129 1 967 . 1 1 74 74 LEU C C 13 179.079 0.000 . . . . . . 401 L C . 16129 1 968 . 1 1 74 74 LEU CA C 13 58.133 0.000 . . . . . . 401 L CA . 16129 1 969 . 1 1 74 74 LEU CB C 13 43.845 0.001 . . . . . . 401 L CB . 16129 1 970 . 1 1 74 74 LEU CD1 C 13 25.906 0.000 . . . . . . 401 L CD1 . 16129 1 971 . 1 1 74 74 LEU CD2 C 13 23.412 0.000 . . . . . . 401 L CD2 . 16129 1 972 . 1 1 74 74 LEU CG C 13 28.006 0.000 . . . . . . 401 L CG . 16129 1 973 . 1 1 74 74 LEU N N 15 120.760 0.000 . . . . . . 401 L N . 16129 1 974 . 1 1 75 75 LYS H H 1 8.926 0.000 . . . . . . 402 K HN . 16129 1 975 . 1 1 75 75 LYS HA H 1 3.880 0.000 . . . . . . 402 K HA . 16129 1 976 . 1 1 75 75 LYS HB2 H 1 1.824 0.000 . . . . . . 402 K HB2 . 16129 1 977 . 1 1 75 75 LYS HB3 H 1 1.931 0.000 . . . . . . 402 K HB3 . 16129 1 978 . 1 1 75 75 LYS HD2 H 1 1.630 0.000 . . . . . . 402 K HD2 . 16129 1 979 . 1 1 75 75 LYS HD3 H 1 1.673 0.000 . . . . . . 402 K HD3 . 16129 1 980 . 1 1 75 75 LYS HE2 H 1 2.846 0.000 . . . . . . 402 K HE2 . 16129 1 981 . 1 1 75 75 LYS HE3 H 1 2.926 0.000 . . . . . . 402 K HE3 . 16129 1 982 . 1 1 75 75 LYS HG2 H 1 1.411 0.000 . . . . . . 402 K HG2 . 16129 1 983 . 1 1 75 75 LYS HG3 H 1 1.780 0.000 . . . . . . 402 K HG3 . 16129 1 984 . 1 1 75 75 LYS C C 13 179.776 0.000 . . . . . . 402 K C . 16129 1 985 . 1 1 75 75 LYS CA C 13 60.690 0.000 . . . . . . 402 K CA . 16129 1 986 . 1 1 75 75 LYS CB C 13 32.581 0.018 . . . . . . 402 K CB . 16129 1 987 . 1 1 75 75 LYS CD C 13 29.895 0.001 . . . . . . 402 K CD . 16129 1 988 . 1 1 75 75 LYS CE C 13 41.731 0.000 . . . . . . 402 K CE . 16129 1 989 . 1 1 75 75 LYS CG C 13 26.477 0.001 . . . . . . 402 K CG . 16129 1 990 . 1 1 75 75 LYS N N 15 119.788 0.000 . . . . . . 402 K N . 16129 1 991 . 1 1 76 76 LEU H H 1 7.295 0.000 . . . . . . 403 L HN . 16129 1 992 . 1 1 76 76 LEU HA H 1 4.122 0.000 . . . . . . 403 L HA . 16129 1 993 . 1 1 76 76 LEU HB2 H 1 1.603 0.000 . . . . . . 403 L HB2 . 16129 1 994 . 1 1 76 76 LEU HB3 H 1 2.002 0.000 . . . . . . 403 L HB3 . 16129 1 995 . 1 1 76 76 LEU HD11 H 1 0.893 0.000 . . . . . . 403 L QD1 . 16129 1 996 . 1 1 76 76 LEU HD12 H 1 0.893 0.000 . . . . . . 403 L QD1 . 16129 1 997 . 1 1 76 76 LEU HD13 H 1 0.893 0.000 . . . . . . 403 L QD1 . 16129 1 998 . 1 1 76 76 LEU HD21 H 1 0.961 0.000 . . . . . . 403 L QD2 . 16129 1 999 . 1 1 76 76 LEU HD22 H 1 0.961 0.000 . . . . . . 403 L QD2 . 16129 1 1000 . 1 1 76 76 LEU HD23 H 1 0.961 0.000 . . . . . . 403 L QD2 . 16129 1 1001 . 1 1 76 76 LEU HG H 1 1.812 0.000 . . . . . . 403 L HG . 16129 1 1002 . 1 1 76 76 LEU C C 13 179.826 0.000 . . . . . . 403 L C . 16129 1 1003 . 1 1 76 76 LEU CA C 13 57.780 0.000 . . . . . . 403 L CA . 16129 1 1004 . 1 1 76 76 LEU CB C 13 41.534 0.001 . . . . . . 403 L CB . 16129 1 1005 . 1 1 76 76 LEU CD1 C 13 23.094 0.000 . . . . . . 403 L CD1 . 16129 1 1006 . 1 1 76 76 LEU CD2 C 13 25.083 0.000 . . . . . . 403 L CD2 . 16129 1 1007 . 1 1 76 76 LEU CG C 13 26.922 0.000 . . . . . . 403 L CG . 16129 1 1008 . 1 1 76 76 LEU N N 15 118.561 0.000 . . . . . . 403 L N . 16129 1 1009 . 1 1 77 77 GLU H H 1 7.912 0.000 . . . . . . 404 E HN . 16129 1 1010 . 1 1 77 77 GLU HA H 1 3.961 0.000 . . . . . . 404 E HA . 16129 1 1011 . 1 1 77 77 GLU HB2 H 1 2.159 0.000 . . . . . . 404 E HB2 . 16129 1 1012 . 1 1 77 77 GLU HB3 H 1 2.351 0.000 . . . . . . 404 E HB3 . 16129 1 1013 . 1 1 77 77 GLU HG2 H 1 2.334 0.000 . . . . . . 404 E HG2 . 16129 1 1014 . 1 1 77 77 GLU HG3 H 1 2.515 0.000 . . . . . . 404 E HG3 . 16129 1 1015 . 1 1 77 77 GLU C C 13 178.354 0.000 . . . . . . 404 E C . 16129 1 1016 . 1 1 77 77 GLU CA C 13 59.888 0.000 . . . . . . 404 E CA . 16129 1 1017 . 1 1 77 77 GLU CB C 13 30.064 0.007 . . . . . . 404 E CB . 16129 1 1018 . 1 1 77 77 GLU CG C 13 36.577 0.001 . . . . . . 404 E CG . 16129 1 1019 . 1 1 77 77 GLU N N 15 120.305 0.000 . . . . . . 404 E N . 16129 1 1020 . 1 1 78 78 VAL H H 1 8.672 0.000 . . . . . . 405 V HN . 16129 1 1021 . 1 1 78 78 VAL HA H 1 3.514 0.000 . . . . . . 405 V HA . 16129 1 1022 . 1 1 78 78 VAL HB H 1 2.175 0.000 . . . . . . 405 V HB . 16129 1 1023 . 1 1 78 78 VAL HG11 H 1 0.914 0.000 . . . . . . 405 V QG1 . 16129 1 1024 . 1 1 78 78 VAL HG12 H 1 0.914 0.000 . . . . . . 405 V QG1 . 16129 1 1025 . 1 1 78 78 VAL HG13 H 1 0.914 0.000 . . . . . . 405 V QG1 . 16129 1 1026 . 1 1 78 78 VAL HG21 H 1 1.029 0.000 . . . . . . 405 V QG2 . 16129 1 1027 . 1 1 78 78 VAL HG22 H 1 1.029 0.000 . . . . . . 405 V QG2 . 16129 1 1028 . 1 1 78 78 VAL HG23 H 1 1.029 0.000 . . . . . . 405 V QG2 . 16129 1 1029 . 1 1 78 78 VAL C C 13 177.355 0.000 . . . . . . 405 V C . 16129 1 1030 . 1 1 78 78 VAL CA C 13 67.937 0.000 . . . . . . 405 V CA . 16129 1 1031 . 1 1 78 78 VAL CB C 13 31.831 0.000 . . . . . . 405 V CB . 16129 1 1032 . 1 1 78 78 VAL CG1 C 13 20.909 0.000 . . . . . . 405 V CG1 . 16129 1 1033 . 1 1 78 78 VAL CG2 C 13 23.511 0.000 . . . . . . 405 V CG2 . 16129 1 1034 . 1 1 78 78 VAL N N 15 119.095 0.000 . . . . . . 405 V N . 16129 1 1035 . 1 1 79 79 GLN H H 1 7.736 0.000 . . . . . . 406 Q HN . 16129 1 1036 . 1 1 79 79 GLN HA H 1 4.083 0.000 . . . . . . 406 Q HA . 16129 1 1037 . 1 1 79 79 GLN HB2 H 1 2.107 0.000 . . . . . . 406 Q HB2 . 16129 1 1038 . 1 1 79 79 GLN HB3 H 1 2.154 0.000 . . . . . . 406 Q HB3 . 16129 1 1039 . 1 1 79 79 GLN HE21 H 1 6.784 0.000 . . . . . . 406 Q HE21 . 16129 1 1040 . 1 1 79 79 GLN HE22 H 1 7.410 0.001 . . . . . . 406 Q HE22 . 16129 1 1041 . 1 1 79 79 GLN HG2 H 1 2.384 0.000 . . . . . . 406 Q HG2 . 16129 1 1042 . 1 1 79 79 GLN HG3 H 1 2.556 0.000 . . . . . . 406 Q HG3 . 16129 1 1043 . 1 1 79 79 GLN C C 13 178.808 0.000 . . . . . . 406 Q C . 16129 1 1044 . 1 1 79 79 GLN CA C 13 59.064 0.000 . . . . . . 406 Q CA . 16129 1 1045 . 1 1 79 79 GLN CB C 13 28.662 0.004 . . . . . . 406 Q CB . 16129 1 1046 . 1 1 79 79 GLN CD C 13 180.201 0.014 . . . . . . 406 Q CD . 16129 1 1047 . 1 1 79 79 GLN CG C 13 34.413 0.001 . . . . . . 406 Q CG . 16129 1 1048 . 1 1 79 79 GLN N N 15 116.788 0.000 . . . . . . 406 Q N . 16129 1 1049 . 1 1 79 79 GLN NE2 N 15 110.707 0.000 . . . . . . 406 Q NE2 . 16129 1 1050 . 1 1 80 80 LYS H H 1 7.788 0.000 . . . . . . 407 K HN . 16129 1 1051 . 1 1 80 80 LYS HA H 1 3.627 0.000 . . . . . . 407 K HA . 16129 1 1052 . 1 1 80 80 LYS HB2 H 1 1.210 0.000 . . . . . . 407 K HB2 . 16129 1 1053 . 1 1 80 80 LYS HB3 H 1 1.442 0.000 . . . . . . 407 K HB3 . 16129 1 1054 . 1 1 80 80 LYS HD2 H 1 1.278 0.000 . . . . . . 407 K HD2 . 16129 1 1055 . 1 1 80 80 LYS HD3 H 1 1.341 0.000 . . . . . . 407 K HD3 . 16129 1 1056 . 1 1 80 80 LYS HE2 H 1 2.336 0.000 . . . . . . 407 K HE2 . 16129 1 1057 . 1 1 80 80 LYS HE3 H 1 2.550 0.000 . . . . . . 407 K HE3 . 16129 1 1058 . 1 1 80 80 LYS HG2 H 1 0.005 0.000 . . . . . . 407 K HG2 . 16129 1 1059 . 1 1 80 80 LYS HG3 H 1 0.722 0.000 . . . . . . 407 K HG3 . 16129 1 1060 . 1 1 80 80 LYS C C 13 177.959 0.000 . . . . . . 407 K C . 16129 1 1061 . 1 1 80 80 LYS CA C 13 59.023 0.000 . . . . . . 407 K CA . 16129 1 1062 . 1 1 80 80 LYS CB C 13 31.285 0.001 . . . . . . 407 K CB . 16129 1 1063 . 1 1 80 80 LYS CD C 13 29.358 0.003 . . . . . . 407 K CD . 16129 1 1064 . 1 1 80 80 LYS CE C 13 41.567 0.001 . . . . . . 407 K CE . 16129 1 1065 . 1 1 80 80 LYS CG C 13 23.220 0.004 . . . . . . 407 K CG . 16129 1 1066 . 1 1 80 80 LYS N N 15 121.170 0.000 . . . . . . 407 K N . 16129 1 1067 . 1 1 81 81 TYR H H 1 7.961 0.000 . . . . . . 408 Y HN . 16129 1 1068 . 1 1 81 81 TYR HA H 1 4.230 0.000 . . . . . . 408 Y HA . 16129 1 1069 . 1 1 81 81 TYR HB2 H 1 3.030 0.000 . . . . . . 408 Y HB2 . 16129 1 1070 . 1 1 81 81 TYR HB3 H 1 3.073 0.000 . . . . . . 408 Y HB3 . 16129 1 1071 . 1 1 81 81 TYR HD1 H 1 7.295 0.000 . . . . . . 408 Y QD . 16129 1 1072 . 1 1 81 81 TYR HD2 H 1 7.295 0.000 . . . . . . 408 Y QD . 16129 1 1073 . 1 1 81 81 TYR HE1 H 1 6.982 0.000 . . . . . . 408 Y QE . 16129 1 1074 . 1 1 81 81 TYR HE2 H 1 6.982 0.000 . . . . . . 408 Y QE . 16129 1 1075 . 1 1 81 81 TYR C C 13 178.447 0.000 . . . . . . 408 Y C . 16129 1 1076 . 1 1 81 81 TYR CA C 13 63.208 0.000 . . . . . . 408 Y CA . 16129 1 1077 . 1 1 81 81 TYR CB C 13 38.822 0.003 . . . . . . 408 Y CB . 16129 1 1078 . 1 1 81 81 TYR CD1 C 13 132.527 0.000 . . . . . . 408 Y CD1 . 16129 1 1079 . 1 1 81 81 TYR CE1 C 13 118.392 0.000 . . . . . . 408 Y CE1 . 16129 1 1080 . 1 1 81 81 TYR N N 15 116.264 0.000 . . . . . . 408 Y N . 16129 1 1081 . 1 1 82 82 GLU H H 1 8.872 0.000 . . . . . . 409 E HN . 16129 1 1082 . 1 1 82 82 GLU HA H 1 4.016 0.000 . . . . . . 409 E HA . 16129 1 1083 . 1 1 82 82 GLU HB2 H 1 1.997 0.000 . . . . . . 409 E HB2 . 16129 1 1084 . 1 1 82 82 GLU HB3 H 1 2.272 0.000 . . . . . . 409 E HB3 . 16129 1 1085 . 1 1 82 82 GLU HG2 H 1 2.216 0.000 . . . . . . 409 E HG2 . 16129 1 1086 . 1 1 82 82 GLU HG3 H 1 2.621 0.000 . . . . . . 409 E HG3 . 16129 1 1087 . 1 1 82 82 GLU C C 13 179.722 0.000 . . . . . . 409 E C . 16129 1 1088 . 1 1 82 82 GLU CA C 13 60.361 0.000 . . . . . . 409 E CA . 16129 1 1089 . 1 1 82 82 GLU CB C 13 29.721 0.002 . . . . . . 409 E CB . 16129 1 1090 . 1 1 82 82 GLU CG C 13 37.523 0.005 . . . . . . 409 E CG . 16129 1 1091 . 1 1 82 82 GLU N N 15 119.388 0.000 . . . . . . 409 E N . 16129 1 1092 . 1 1 83 83 ALA H H 1 7.888 0.000 . . . . . . 410 A HN . 16129 1 1093 . 1 1 83 83 ALA HA H 1 4.293 0.000 . . . . . . 410 A HA . 16129 1 1094 . 1 1 83 83 ALA HB1 H 1 1.503 0.000 . . . . . . 410 A QB . 16129 1 1095 . 1 1 83 83 ALA HB2 H 1 1.503 0.000 . . . . . . 410 A QB . 16129 1 1096 . 1 1 83 83 ALA HB3 H 1 1.503 0.000 . . . . . . 410 A QB . 16129 1 1097 . 1 1 83 83 ALA C C 13 181.291 0.000 . . . . . . 410 A C . 16129 1 1098 . 1 1 83 83 ALA CA C 13 55.116 0.000 . . . . . . 410 A CA . 16129 1 1099 . 1 1 83 83 ALA CB C 13 17.669 0.000 . . . . . . 410 A CB . 16129 1 1100 . 1 1 83 83 ALA N N 15 122.803 0.000 . . . . . . 410 A N . 16129 1 1101 . 1 1 84 84 TRP H H 1 8.556 0.000 . . . . . . 411 W HN . 16129 1 1102 . 1 1 84 84 TRP HA H 1 4.746 0.000 . . . . . . 411 W HA . 16129 1 1103 . 1 1 84 84 TRP HB2 H 1 3.264 0.000 . . . . . . 411 W HB2 . 16129 1 1104 . 1 1 84 84 TRP HB3 H 1 3.458 0.000 . . . . . . 411 W HB3 . 16129 1 1105 . 1 1 84 84 TRP HD1 H 1 7.247 0.000 . . . . . . 411 W HD1 . 16129 1 1106 . 1 1 84 84 TRP HE1 H 1 9.958 0.000 . . . . . . 411 W HE1 . 16129 1 1107 . 1 1 84 84 TRP HE3 H 1 7.068 0.000 . . . . . . 411 W HE3 . 16129 1 1108 . 1 1 84 84 TRP HH2 H 1 7.044 0.000 . . . . . . 411 W HH2 . 16129 1 1109 . 1 1 84 84 TRP HZ2 H 1 7.369 0.000 . . . . . . 411 W HZ2 . 16129 1 1110 . 1 1 84 84 TRP HZ3 H 1 6.614 0.000 . . . . . . 411 W HZ3 . 16129 1 1111 . 1 1 84 84 TRP C C 13 179.579 0.000 . . . . . . 411 W C . 16129 1 1112 . 1 1 84 84 TRP CA C 13 58.477 0.000 . . . . . . 411 W CA . 16129 1 1113 . 1 1 84 84 TRP CB C 13 29.547 0.005 . . . . . . 411 W CB . 16129 1 1114 . 1 1 84 84 TRP CD1 C 13 124.082 0.000 . . . . . . 411 W CD1 . 16129 1 1115 . 1 1 84 84 TRP CE2 C 13 171.111 0.000 . . . . . . 411 W CE2 . 16129 1 1116 . 1 1 84 84 TRP CE3 C 13 120.081 0.000 . . . . . . 411 W CE3 . 16129 1 1117 . 1 1 84 84 TRP CH2 C 13 124.190 0.000 . . . . . . 411 W CH2 . 16129 1 1118 . 1 1 84 84 TRP CZ2 C 13 114.298 0.000 . . . . . . 411 W CZ2 . 16129 1 1119 . 1 1 84 84 TRP CZ3 C 13 121.446 0.000 . . . . . . 411 W CZ3 . 16129 1 1120 . 1 1 84 84 TRP N N 15 120.538 0.000 . . . . . . 411 W N . 16129 1 1121 . 1 1 84 84 TRP NE1 N 15 127.527 0.000 . . . . . . 411 W NE1 . 16129 1 1122 . 1 1 85 85 LEU H H 1 9.110 0.000 . . . . . . 412 L HN . 16129 1 1123 . 1 1 85 85 LEU HA H 1 4.182 0.000 . . . . . . 412 L HA . 16129 1 1124 . 1 1 85 85 LEU HB2 H 1 1.754 0.000 . . . . . . 412 L HB2 . 16129 1 1125 . 1 1 85 85 LEU HB3 H 1 2.004 0.000 . . . . . . 412 L HB3 . 16129 1 1126 . 1 1 85 85 LEU HD11 H 1 1.032 0.000 . . . . . . 412 L QD1 . 16129 1 1127 . 1 1 85 85 LEU HD12 H 1 1.032 0.000 . . . . . . 412 L QD1 . 16129 1 1128 . 1 1 85 85 LEU HD13 H 1 1.032 0.000 . . . . . . 412 L QD1 . 16129 1 1129 . 1 1 85 85 LEU HD21 H 1 1.058 0.000 . . . . . . 412 L QD2 . 16129 1 1130 . 1 1 85 85 LEU HD22 H 1 1.058 0.000 . . . . . . 412 L QD2 . 16129 1 1131 . 1 1 85 85 LEU HD23 H 1 1.058 0.000 . . . . . . 412 L QD2 . 16129 1 1132 . 1 1 85 85 LEU HG H 1 1.753 0.000 . . . . . . 412 L HG . 16129 1 1133 . 1 1 85 85 LEU C C 13 178.056 0.000 . . . . . . 412 L C . 16129 1 1134 . 1 1 85 85 LEU CA C 13 58.326 0.000 . . . . . . 412 L CA . 16129 1 1135 . 1 1 85 85 LEU CB C 13 41.857 0.003 . . . . . . 412 L CB . 16129 1 1136 . 1 1 85 85 LEU CD1 C 13 26.519 0.000 . . . . . . 412 L CD1 . 16129 1 1137 . 1 1 85 85 LEU CD2 C 13 25.128 0.000 . . . . . . 412 L CD2 . 16129 1 1138 . 1 1 85 85 LEU CG C 13 27.587 0.000 . . . . . . 412 L CG . 16129 1 1139 . 1 1 85 85 LEU N N 15 122.101 0.000 . . . . . . 412 L N . 16129 1 1140 . 1 1 86 86 ALA H H 1 7.978 0.000 . . . . . . 413 A HN . 16129 1 1141 . 1 1 86 86 ALA HA H 1 4.271 0.000 . . . . . . 413 A HA . 16129 1 1142 . 1 1 86 86 ALA HB1 H 1 1.595 0.000 . . . . . . 413 A QB . 16129 1 1143 . 1 1 86 86 ALA HB2 H 1 1.595 0.000 . . . . . . 413 A QB . 16129 1 1144 . 1 1 86 86 ALA HB3 H 1 1.595 0.000 . . . . . . 413 A QB . 16129 1 1145 . 1 1 86 86 ALA C C 13 181.119 0.000 . . . . . . 413 A C . 16129 1 1146 . 1 1 86 86 ALA CA C 13 55.116 0.000 . . . . . . 413 A CA . 16129 1 1147 . 1 1 86 86 ALA CB C 13 17.741 0.000 . . . . . . 413 A CB . 16129 1 1148 . 1 1 86 86 ALA N N 15 121.323 0.000 . . . . . . 413 A N . 16129 1 1149 . 1 1 87 87 GLU H H 1 7.958 0.000 . . . . . . 414 E HN . 16129 1 1150 . 1 1 87 87 GLU HA H 1 4.165 0.000 . . . . . . 414 E HA . 16129 1 1151 . 1 1 87 87 GLU HB2 H 1 2.223 0.000 . . . . . . 414 E HB2 . 16129 1 1152 . 1 1 87 87 GLU HB3 H 1 2.311 0.000 . . . . . . 414 E HB3 . 16129 1 1153 . 1 1 87 87 GLU HG2 H 1 2.347 0.000 . . . . . . 414 E HG2 . 16129 1 1154 . 1 1 87 87 GLU HG3 H 1 2.523 0.000 . . . . . . 414 E HG3 . 16129 1 1155 . 1 1 87 87 GLU C C 13 179.115 0.000 . . . . . . 414 E C . 16129 1 1156 . 1 1 87 87 GLU CA C 13 59.079 0.000 . . . . . . 414 E CA . 16129 1 1157 . 1 1 87 87 GLU CB C 13 29.406 0.000 . . . . . . 414 E CB . 16129 1 1158 . 1 1 87 87 GLU CG C 13 36.174 0.003 . . . . . . 414 E CG . 16129 1 1159 . 1 1 87 87 GLU N N 15 118.966 0.000 . . . . . . 414 E N . 16129 1 1160 . 1 1 88 88 ALA H H 1 8.358 0.000 . . . . . . 415 A HN . 16129 1 1161 . 1 1 88 88 ALA HA H 1 4.138 0.000 . . . . . . 415 A HA . 16129 1 1162 . 1 1 88 88 ALA HB1 H 1 1.470 0.000 . . . . . . 415 A QB . 16129 1 1163 . 1 1 88 88 ALA HB2 H 1 1.470 0.000 . . . . . . 415 A QB . 16129 1 1164 . 1 1 88 88 ALA HB3 H 1 1.470 0.000 . . . . . . 415 A QB . 16129 1 1165 . 1 1 88 88 ALA C C 13 180.073 0.000 . . . . . . 415 A C . 16129 1 1166 . 1 1 88 88 ALA CA C 13 55.082 0.000 . . . . . . 415 A CA . 16129 1 1167 . 1 1 88 88 ALA CB C 13 17.952 0.000 . . . . . . 415 A CB . 16129 1 1168 . 1 1 88 88 ALA N N 15 123.276 0.000 . . . . . . 415 A N . 16129 1 1169 . 1 1 89 89 GLU H H 1 8.614 0.000 . . . . . . 416 E HN . 16129 1 1170 . 1 1 89 89 GLU HA H 1 4.068 0.000 . . . . . . 416 E HA . 16129 1 1171 . 1 1 89 89 GLU HB2 H 1 2.111 0.000 . . . . . . 416 E HB2 . 16129 1 1172 . 1 1 89 89 GLU HB3 H 1 2.167 0.000 . . . . . . 416 E HB3 . 16129 1 1173 . 1 1 89 89 GLU HG2 H 1 2.270 0.000 . . . . . . 416 E HG2 . 16129 1 1174 . 1 1 89 89 GLU HG3 H 1 2.477 0.000 . . . . . . 416 E HG3 . 16129 1 1175 . 1 1 89 89 GLU C C 13 178.526 0.000 . . . . . . 416 E C . 16129 1 1176 . 1 1 89 89 GLU CA C 13 59.002 0.000 . . . . . . 416 E CA . 16129 1 1177 . 1 1 89 89 GLU CB C 13 29.514 0.003 . . . . . . 416 E CB . 16129 1 1178 . 1 1 89 89 GLU CG C 13 36.376 0.001 . . . . . . 416 E CG . 16129 1 1179 . 1 1 89 89 GLU N N 15 117.414 0.000 . . . . . . 416 E N . 16129 1 1180 . 1 1 90 90 SER H H 1 7.868 0.000 . . . . . . 417 S HN . 16129 1 1181 . 1 1 90 90 SER HA H 1 4.356 0.000 . . . . . . 417 S HA . 16129 1 1182 . 1 1 90 90 SER HB2 H 1 4.059 0.000 . . . . . . 417 S QB . 16129 1 1183 . 1 1 90 90 SER HB3 H 1 4.059 0.000 . . . . . . 417 S QB . 16129 1 1184 . 1 1 90 90 SER C C 13 175.859 0.000 . . . . . . 417 S C . 16129 1 1185 . 1 1 90 90 SER CA C 13 60.618 0.000 . . . . . . 417 S CA . 16129 1 1186 . 1 1 90 90 SER CB C 13 63.135 0.000 . . . . . . 417 S CB . 16129 1 1187 . 1 1 90 90 SER N N 15 114.154 0.000 . . . . . . 417 S N . 16129 1 1188 . 1 1 91 91 ARG H H 1 7.849 0.000 . . . . . . 418 R HN . 16129 1 1189 . 1 1 91 91 ARG HA H 1 4.270 0.000 . . . . . . 418 R HA . 16129 1 1190 . 1 1 91 91 ARG HB2 H 1 1.966 0.000 . . . . . . 418 R QB . 16129 1 1191 . 1 1 91 91 ARG HB3 H 1 1.966 0.000 . . . . . . 418 R QB . 16129 1 1192 . 1 1 91 91 ARG HD2 H 1 3.271 0.000 . . . . . . 418 R QD . 16129 1 1193 . 1 1 91 91 ARG HD3 H 1 3.271 0.000 . . . . . . 418 R QD . 16129 1 1194 . 1 1 91 91 ARG HE H 1 7.417 0.000 . . . . . . 418 R HE . 16129 1 1195 . 1 1 91 91 ARG HG2 H 1 1.635 0.000 . . . . . . 418 R HG2 . 16129 1 1196 . 1 1 91 91 ARG HG3 H 1 1.873 0.000 . . . . . . 418 R HG3 . 16129 1 1197 . 1 1 91 91 ARG C C 13 177.534 0.000 . . . . . . 418 R C . 16129 1 1198 . 1 1 91 91 ARG CA C 13 57.895 0.000 . . . . . . 418 R CA . 16129 1 1199 . 1 1 91 91 ARG CB C 13 30.664 0.000 . . . . . . 418 R CB . 16129 1 1200 . 1 1 91 91 ARG CD C 13 43.659 0.000 . . . . . . 418 R CD . 16129 1 1201 . 1 1 91 91 ARG CG C 13 27.870 0.003 . . . . . . 418 R CG . 16129 1 1202 . 1 1 91 91 ARG CZ C 13 175.642 0.000 . . . . . . 418 R CZ . 16129 1 1203 . 1 1 91 91 ARG N N 15 121.497 0.000 . . . . . . 418 R N . 16129 1 1204 . 1 1 91 91 ARG NE N 15 109.794 0.000 . . . . . . 418 R NE . 16129 1 1205 . 1 1 92 92 VAL H H 1 7.906 0.000 . . . . . . 419 V HN . 16129 1 1206 . 1 1 92 92 VAL HA H 1 3.928 0.000 . . . . . . 419 V HA . 16129 1 1207 . 1 1 92 92 VAL HB H 1 2.218 0.000 . . . . . . 419 V HB . 16129 1 1208 . 1 1 92 92 VAL HG11 H 1 0.977 0.000 . . . . . . 419 V QG1 . 16129 1 1209 . 1 1 92 92 VAL HG12 H 1 0.977 0.000 . . . . . . 419 V QG1 . 16129 1 1210 . 1 1 92 92 VAL HG13 H 1 0.977 0.000 . . . . . . 419 V QG1 . 16129 1 1211 . 1 1 92 92 VAL HG21 H 1 0.993 0.000 . . . . . . 419 V QG2 . 16129 1 1212 . 1 1 92 92 VAL HG22 H 1 0.993 0.000 . . . . . . 419 V QG2 . 16129 1 1213 . 1 1 92 92 VAL HG23 H 1 0.993 0.000 . . . . . . 419 V QG2 . 16129 1 1214 . 1 1 92 92 VAL C C 13 177.130 0.000 . . . . . . 419 V C . 16129 1 1215 . 1 1 92 92 VAL CA C 13 64.162 0.000 . . . . . . 419 V CA . 16129 1 1216 . 1 1 92 92 VAL CB C 13 32.210 0.000 . . . . . . 419 V CB . 16129 1 1217 . 1 1 92 92 VAL CG1 C 13 21.345 0.000 . . . . . . 419 V CG1 . 16129 1 1218 . 1 1 92 92 VAL CG2 C 13 21.641 0.000 . . . . . . 419 V CG2 . 16129 1 1219 . 1 1 92 92 VAL N N 15 119.287 0.000 . . . . . . 419 V N . 16129 1 1220 . 1 1 93 93 LEU H H 1 8.064 0.000 . . . . . . 420 L HN . 16129 1 1221 . 1 1 93 93 LEU HA H 1 4.307 0.000 . . . . . . 420 L HA . 16129 1 1222 . 1 1 93 93 LEU HB2 H 1 1.645 0.000 . . . . . . 420 L HB2 . 16129 1 1223 . 1 1 93 93 LEU HB3 H 1 1.779 0.000 . . . . . . 420 L HB3 . 16129 1 1224 . 1 1 93 93 LEU HD11 H 1 0.901 0.000 . . . . . . 420 L QD1 . 16129 1 1225 . 1 1 93 93 LEU HD12 H 1 0.901 0.000 . . . . . . 420 L QD1 . 16129 1 1226 . 1 1 93 93 LEU HD13 H 1 0.901 0.000 . . . . . . 420 L QD1 . 16129 1 1227 . 1 1 93 93 LEU HD21 H 1 0.957 0.000 . . . . . . 420 L QD2 . 16129 1 1228 . 1 1 93 93 LEU HD22 H 1 0.957 0.000 . . . . . . 420 L QD2 . 16129 1 1229 . 1 1 93 93 LEU HD23 H 1 0.957 0.000 . . . . . . 420 L QD2 . 16129 1 1230 . 1 1 93 93 LEU HG H 1 1.737 0.000 . . . . . . 420 L HG . 16129 1 1231 . 1 1 93 93 LEU C C 13 178.005 0.000 . . . . . . 420 L C . 16129 1 1232 . 1 1 93 93 LEU CA C 13 56.010 0.000 . . . . . . 420 L CA . 16129 1 1233 . 1 1 93 93 LEU CB C 13 42.124 0.001 . . . . . . 420 L CB . 16129 1 1234 . 1 1 93 93 LEU CD1 C 13 23.263 0.000 . . . . . . 420 L CD1 . 16129 1 1235 . 1 1 93 93 LEU CD2 C 13 25.026 0.000 . . . . . . 420 L CD2 . 16129 1 1236 . 1 1 93 93 LEU CG C 13 26.940 0.000 . . . . . . 420 L CG . 16129 1 1237 . 1 1 93 93 LEU N N 15 122.345 0.000 . . . . . . 420 L N . 16129 1 1238 . 1 1 94 94 SER H H 1 8.133 0.000 . . . . . . 421 S HN . 16129 1 1239 . 1 1 94 94 SER HA H 1 4.433 0.000 . . . . . . 421 S HA . 16129 1 1240 . 1 1 94 94 SER HB2 H 1 3.930 0.000 . . . . . . 421 S QB . 16129 1 1241 . 1 1 94 94 SER HB3 H 1 3.930 0.000 . . . . . . 421 S QB . 16129 1 1242 . 1 1 94 94 SER C C 13 174.494 0.000 . . . . . . 421 S C . 16129 1 1243 . 1 1 94 94 SER CA C 13 58.950 0.000 . . . . . . 421 S CA . 16129 1 1244 . 1 1 94 94 SER CB C 13 63.767 0.000 . . . . . . 421 S CB . 16129 1 1245 . 1 1 94 94 SER N N 15 114.810 0.000 . . . . . . 421 S N . 16129 1 1246 . 1 1 95 95 ASN H H 1 8.230 0.000 . . . . . . 422 N HN . 16129 1 1247 . 1 1 95 95 ASN HA H 1 4.753 0.000 . . . . . . 422 N HA . 16129 1 1248 . 1 1 95 95 ASN HB2 H 1 2.836 0.000 . . . . . . 422 N HB2 . 16129 1 1249 . 1 1 95 95 ASN HB3 H 1 2.907 0.000 . . . . . . 422 N HB3 . 16129 1 1250 . 1 1 95 95 ASN HD21 H 1 6.954 0.001 . . . . . . 422 N HD21 . 16129 1 1251 . 1 1 95 95 ASN HD22 H 1 7.720 0.001 . . . . . . 422 N HD22 . 16129 1 1252 . 1 1 95 95 ASN C C 13 175.147 0.000 . . . . . . 422 N C . 16129 1 1253 . 1 1 95 95 ASN CA C 13 53.510 0.000 . . . . . . 422 N CA . 16129 1 1254 . 1 1 95 95 ASN CB C 13 38.892 0.000 . . . . . . 422 N CB . 16129 1 1255 . 1 1 95 95 ASN CG C 13 177.248 0.006 . . . . . . 422 N CG . 16129 1 1256 . 1 1 95 95 ASN N N 15 120.132 0.000 . . . . . . 422 N N . 16129 1 1257 . 1 1 95 95 ASN ND2 N 15 112.731 0.000 . . . . . . 422 N ND2 . 16129 1 1258 . 1 1 96 96 ARG H H 1 8.226 0.000 . . . . . . 423 R HN . 16129 1 1259 . 1 1 96 96 ARG HA H 1 4.362 0.000 . . . . . . 423 R HA . 16129 1 1260 . 1 1 96 96 ARG HB2 H 1 1.845 0.000 . . . . . . 423 R HB2 . 16129 1 1261 . 1 1 96 96 ARG HB3 H 1 1.954 0.000 . . . . . . 423 R HB3 . 16129 1 1262 . 1 1 96 96 ARG HD2 H 1 3.233 0.000 . . . . . . 423 R QD . 16129 1 1263 . 1 1 96 96 ARG HD3 H 1 3.233 0.000 . . . . . . 423 R QD . 16129 1 1264 . 1 1 96 96 ARG HE H 1 7.321 0.000 . . . . . . 423 R HE . 16129 1 1265 . 1 1 96 96 ARG HG2 H 1 1.683 0.000 . . . . . . 423 R HG2 . 16129 1 1266 . 1 1 96 96 ARG HG3 H 1 1.712 0.000 . . . . . . 423 R HG3 . 16129 1 1267 . 1 1 96 96 ARG C C 13 176.701 0.000 . . . . . . 423 R C . 16129 1 1268 . 1 1 96 96 ARG CA C 13 56.570 0.000 . . . . . . 423 R CA . 16129 1 1269 . 1 1 96 96 ARG CB C 13 30.835 0.001 . . . . . . 423 R CB . 16129 1 1270 . 1 1 96 96 ARG CD C 13 43.426 0.000 . . . . . . 423 R CD . 16129 1 1271 . 1 1 96 96 ARG CG C 13 27.000 0.003 . . . . . . 423 R CG . 16129 1 1272 . 1 1 96 96 ARG CZ C 13 175.595 0.000 . . . . . . 423 R CZ . 16129 1 1273 . 1 1 96 96 ARG N N 15 120.696 0.000 . . . . . . 423 R N . 16129 1 1274 . 1 1 96 96 ARG NE N 15 109.622 0.000 . . . . . . 423 R NE . 16129 1 1275 . 1 1 97 97 GLY H H 1 8.373 0.000 . . . . . . 424 G HN . 16129 1 1276 . 1 1 97 97 GLY HA2 H 1 3.987 0.000 . . . . . . 424 G QA . 16129 1 1277 . 1 1 97 97 GLY HA3 H 1 3.987 0.000 . . . . . . 424 G QA . 16129 1 1278 . 1 1 97 97 GLY C C 13 172.985 0.000 . . . . . . 424 G C . 16129 1 1279 . 1 1 97 97 GLY CA C 13 45.276 0.000 . . . . . . 424 G CA . 16129 1 1280 . 1 1 97 97 GLY N N 15 109.736 0.000 . . . . . . 424 G N . 16129 1 1281 . 1 1 98 98 ASP H H 1 7.945 0.000 . . . . . . 425 D HN . 16129 1 1282 . 1 1 98 98 ASP HA H 1 4.427 0.000 . . . . . . 425 D HA . 16129 1 1283 . 1 1 98 98 ASP HB2 H 1 2.601 0.000 . . . . . . 425 D HB2 . 16129 1 1284 . 1 1 98 98 ASP HB3 H 1 2.680 0.000 . . . . . . 425 D HB3 . 16129 1 1285 . 1 1 98 98 ASP CA C 13 55.644 0.000 . . . . . . 425 D CA . 16129 1 1286 . 1 1 98 98 ASP CB C 13 42.156 0.000 . . . . . . 425 D CB . 16129 1 1287 . 1 1 98 98 ASP N N 15 125.645 0.000 . . . . . . 425 D N . 16129 1 stop_ save_