data_19474 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19474 _Entry.Title ; Structure of uninhibited ETV6 ETS domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-29 _Entry.Accession_date 2013-08-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Soumya De . . . 19474 2 Lawrence McIntosh . P. . 19474 3 Anson Chan . 'C. K.' . 19474 4 Harold Coyne . J. . 19474 5 Mark Okon . . . 19474 6 Barbara Graves . J. . 19474 7 Michael Murphy . 'E. P.' . 19474 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19474 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Auto-inhibition . 19474 Protein . 19474 Transcription . 19474 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19474 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 19474 '15N chemical shifts' 101 19474 '1H chemical shifts' 728 19474 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-03 2013-08-29 update BMRB 'update entry citation' 19474 1 . . 2013-09-27 2013-08-29 original author 'original release' 19474 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LF7 . 19474 PDB 2LF8 . 19474 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19474 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24333486 _Citation.Full_citation . _Citation.Title 'Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Soumya De . . . 19474 1 2 Anson Chan . C.K. . 19474 1 3 'H. Jerome' Coyne . . 3rd 19474 1 4 Niraja Bhachech . . . 19474 1 5 Ulrike Hermsdorf . . . 19474 1 6 Mark Okon . . . 19474 1 7 Michael Murphy . E.P. . 19474 1 8 Barbara Graves . J. . 19474 1 9 Lawrence McIntosh . P. . 19474 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19474 _Assembly.ID 1 _Assembly.Name 'uninhibited ETV6 ETS domain' _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 'uninhibited ETV6 ETS domain' 1 $u_ETV6_ETS A . yes native no no . . . 19474 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_u_ETV6_ETS _Entity.Sf_category entity _Entity.Sf_framecode u_ETV6_ETS _Entity.Entry_ID 19474 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name u_ETV6_ETS _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 ; GSHMGRIADSRLLWDYVYQL LSDSRYENFIRWEDKESKIF RIVDPNGLARLWGNHKNRTN MTYEKMSRALRHYYKLNIIR KEPGQRLLFRFMKTPDEIMS GR ; _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 102 _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 12450.446 _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 2MD5 . "Structure Of Uninhibited Etv6 Ets Domain" . . . . . 100.00 102 100.00 100.00 3.98e-68 . . . . 19474 1 2 no PDB 4MHG . "Crystal Structure Of Etv6 Bound To A Specific Dna Sequence" . . . . . 100.00 102 100.00 100.00 3.98e-68 . . . . 19474 1 3 no DBJ BAC28991 . "unnamed protein product [Mus musculus]" . . . . . 97.06 484 97.98 98.99 2.95e-62 . . . . 19474 1 4 no DBJ BAC37386 . "unnamed protein product [Mus musculus]" . . . . . 97.06 442 97.98 98.99 4.03e-62 . . . . 19474 1 5 no DBJ BAE32681 . "unnamed protein product [Mus musculus]" . . . . . 97.06 442 97.98 98.99 3.90e-62 . . . . 19474 1 6 no DBJ BAE33079 . "unnamed protein product [Mus musculus]" . . . . . 97.06 442 97.98 98.99 3.90e-62 . . . . 19474 1 7 no DBJ BAE34018 . "unnamed protein product [Mus musculus]" . . . . . 97.06 442 97.98 98.99 3.86e-62 . . . . 19474 1 8 no EMBL CAA69220 . "TEL protein [Mus musculus]" . . . . . 97.06 485 97.98 98.99 3.21e-62 . . . . 19474 1 9 no GB AAA19786 . "t(5;12) translocation breakpoint occurs after nucleotide 487 [Homo sapiens]" . . . . . 97.06 452 97.98 98.99 1.04e-62 . . . . 19474 1 10 no GB AAB17135 . "Ets variant gene 6; TEL oncogene, partial [Homo sapiens]" . . . . . 91.18 115 98.92 98.92 1.39e-60 . . . . 19474 1 11 no GB AAC97200 . "ets domain protein, partial [Gallus gallus]" . . . . . 97.06 390 97.98 98.99 6.03e-63 . . . . 19474 1 12 no GB AAH43399 . "Ets variant 6 [Homo sapiens]" . . . . . 97.06 452 97.98 98.99 1.04e-62 . . . . 19474 1 13 no GB AAH52163 . "Etv6 protein [Mus musculus]" . . . . . 97.06 442 97.98 98.99 3.90e-62 . . . . 19474 1 14 no REF NP_001015514 . "transcription factor ETV6 [Bos taurus]" . . . . . 97.06 452 97.98 98.99 1.37e-62 . . . . 19474 1 15 no REF NP_001032430 . "transcription factor ETV6 [Rattus norvegicus]" . . . . . 97.06 453 97.98 98.99 1.14e-62 . . . . 19474 1 16 no REF NP_001186202 . "transcription factor ETV6 [Gallus gallus]" . . . . . 97.06 451 97.98 98.99 9.76e-63 . . . . 19474 1 17 no REF NP_001253009 . "transcription factor ETV6 [Macaca mulatta]" . . . . . 97.06 452 97.98 98.99 1.04e-62 . . . . 19474 1 18 no REF NP_001290031 . "transcription factor ETV6 isoform 2 [Mus musculus]" . . . . . 97.06 442 97.98 98.99 3.90e-62 . . . . 19474 1 19 no SP P41212 . "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" . . . . . 97.06 452 97.98 98.99 1.04e-62 . . . . 19474 1 20 no SP P97360 . "RecName: Full=Transcription factor ETV6; AltName: Full=ETS translocation variant 6; AltName: Full=ETS-related protein Tel1; Sho" . . . . . 97.06 485 97.98 98.99 3.21e-62 . . . . 19474 1 21 no SP Q0VC65 . "RecName: Full=Transcription factor ETV6" . . . . . 97.06 452 97.98 98.99 1.37e-62 . . . . 19474 1 22 no TPG DAA29357 . "TPA: transcription factor ETV6 [Bos taurus]" . . . . . 97.06 441 97.98 98.99 1.11e-62 . . . . 19474 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 1 325 GLY . 19474 1 2 326 SER . 19474 1 3 327 HIS . 19474 1 4 328 MET . 19474 1 5 329 GLY . 19474 1 6 330 ARG . 19474 1 7 331 ILE . 19474 1 8 332 ALA . 19474 1 9 333 ASP . 19474 1 10 334 SER . 19474 1 11 335 ARG . 19474 1 12 336 LEU . 19474 1 13 337 LEU . 19474 1 14 338 TRP . 19474 1 15 339 ASP . 19474 1 16 340 TYR . 19474 1 17 341 VAL . 19474 1 18 342 TYR . 19474 1 19 343 GLN . 19474 1 20 344 LEU . 19474 1 21 345 LEU . 19474 1 22 346 SER . 19474 1 23 347 ASP . 19474 1 24 348 SER . 19474 1 25 349 ARG . 19474 1 26 350 TYR . 19474 1 27 351 GLU . 19474 1 28 352 ASN . 19474 1 29 353 PHE . 19474 1 30 354 ILE . 19474 1 31 355 ARG . 19474 1 32 356 TRP . 19474 1 33 357 GLU . 19474 1 34 358 ASP . 19474 1 35 359 LYS . 19474 1 36 360 GLU . 19474 1 37 361 SER . 19474 1 38 362 LYS . 19474 1 39 363 ILE . 19474 1 40 364 PHE . 19474 1 41 365 ARG . 19474 1 42 366 ILE . 19474 1 43 367 VAL . 19474 1 44 368 ASP . 19474 1 45 369 PRO . 19474 1 46 370 ASN . 19474 1 47 371 GLY . 19474 1 48 372 LEU . 19474 1 49 373 ALA . 19474 1 50 374 ARG . 19474 1 51 375 LEU . 19474 1 52 376 TRP . 19474 1 53 377 GLY . 19474 1 54 378 ASN . 19474 1 55 379 HIS . 19474 1 56 380 LYS . 19474 1 57 381 ASN . 19474 1 58 382 ARG . 19474 1 59 383 THR . 19474 1 60 384 ASN . 19474 1 61 385 MET . 19474 1 62 386 THR . 19474 1 63 387 TYR . 19474 1 64 388 GLU . 19474 1 65 389 LYS . 19474 1 66 390 MET . 19474 1 67 391 SER . 19474 1 68 392 ARG . 19474 1 69 393 ALA . 19474 1 70 394 LEU . 19474 1 71 395 ARG . 19474 1 72 396 HIS . 19474 1 73 397 TYR . 19474 1 74 398 TYR . 19474 1 75 399 LYS . 19474 1 76 400 LEU . 19474 1 77 401 ASN . 19474 1 78 402 ILE . 19474 1 79 403 ILE . 19474 1 80 404 ARG . 19474 1 81 405 LYS . 19474 1 82 406 GLU . 19474 1 83 407 PRO . 19474 1 84 408 GLY . 19474 1 85 409 GLN . 19474 1 86 410 ARG . 19474 1 87 411 LEU . 19474 1 88 412 LEU . 19474 1 89 413 PHE . 19474 1 90 414 ARG . 19474 1 91 415 PHE . 19474 1 92 416 MET . 19474 1 93 417 LYS . 19474 1 94 418 THR . 19474 1 95 419 PRO . 19474 1 96 420 ASP . 19474 1 97 421 GLU . 19474 1 98 422 ILE . 19474 1 99 423 MET . 19474 1 100 424 SER . 19474 1 101 425 GLY . 19474 1 102 426 ARG . 19474 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 19474 1 . SER 2 2 19474 1 . HIS 3 3 19474 1 . MET 4 4 19474 1 . GLY 5 5 19474 1 . ARG 6 6 19474 1 . ILE 7 7 19474 1 . ALA 8 8 19474 1 . ASP 9 9 19474 1 . SER 10 10 19474 1 . ARG 11 11 19474 1 . LEU 12 12 19474 1 . LEU 13 13 19474 1 . TRP 14 14 19474 1 . ASP 15 15 19474 1 . TYR 16 16 19474 1 . VAL 17 17 19474 1 . TYR 18 18 19474 1 . GLN 19 19 19474 1 . LEU 20 20 19474 1 . LEU 21 21 19474 1 . SER 22 22 19474 1 . ASP 23 23 19474 1 . SER 24 24 19474 1 . ARG 25 25 19474 1 . TYR 26 26 19474 1 . GLU 27 27 19474 1 . ASN 28 28 19474 1 . PHE 29 29 19474 1 . ILE 30 30 19474 1 . ARG 31 31 19474 1 . TRP 32 32 19474 1 . GLU 33 33 19474 1 . ASP 34 34 19474 1 . LYS 35 35 19474 1 . GLU 36 36 19474 1 . SER 37 37 19474 1 . LYS 38 38 19474 1 . ILE 39 39 19474 1 . PHE 40 40 19474 1 . ARG 41 41 19474 1 . ILE 42 42 19474 1 . VAL 43 43 19474 1 . ASP 44 44 19474 1 . PRO 45 45 19474 1 . ASN 46 46 19474 1 . GLY 47 47 19474 1 . LEU 48 48 19474 1 . ALA 49 49 19474 1 . ARG 50 50 19474 1 . LEU 51 51 19474 1 . TRP 52 52 19474 1 . GLY 53 53 19474 1 . ASN 54 54 19474 1 . HIS 55 55 19474 1 . LYS 56 56 19474 1 . ASN 57 57 19474 1 . ARG 58 58 19474 1 . THR 59 59 19474 1 . ASN 60 60 19474 1 . MET 61 61 19474 1 . THR 62 62 19474 1 . TYR 63 63 19474 1 . GLU 64 64 19474 1 . LYS 65 65 19474 1 . MET 66 66 19474 1 . SER 67 67 19474 1 . ARG 68 68 19474 1 . ALA 69 69 19474 1 . LEU 70 70 19474 1 . ARG 71 71 19474 1 . HIS 72 72 19474 1 . TYR 73 73 19474 1 . TYR 74 74 19474 1 . LYS 75 75 19474 1 . LEU 76 76 19474 1 . ASN 77 77 19474 1 . ILE 78 78 19474 1 . ILE 79 79 19474 1 . ARG 80 80 19474 1 . LYS 81 81 19474 1 . GLU 82 82 19474 1 . PRO 83 83 19474 1 . GLY 84 84 19474 1 . GLN 85 85 19474 1 . ARG 86 86 19474 1 . LEU 87 87 19474 1 . LEU 88 88 19474 1 . PHE 89 89 19474 1 . ARG 90 90 19474 1 . PHE 91 91 19474 1 . MET 92 92 19474 1 . LYS 93 93 19474 1 . THR 94 94 19474 1 . PRO 95 95 19474 1 . ASP 96 96 19474 1 . GLU 97 97 19474 1 . ILE 98 98 19474 1 . MET 99 99 19474 1 . SER 100 100 19474 1 . GLY 101 101 19474 1 . ARG 102 102 19474 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 19474 _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 $u_ETV6_ETS . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 19474 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 19474 _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 $u_ETV6_ETS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 28 a+' . . . . . . 19474 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19474 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'uninhibited ETV6 ETS domain' '[U-99% 13C; U-99% 15N]' . . 1 $u_ETV6_ETS . . 0.6 . . mM . . . . 19474 1 2 'sodium phosphate' 'natural abundance' . . . . . . 0.02 . . mM . . . . 19474 1 3 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19474 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19474 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19474 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 19474 _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' 0.11 . M 19474 1 pH 6.5 . pH 19474 1 pressure 1 . atm 19474 1 temperature 298 . K 19474 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19474 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19474 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19474 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19474 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19474 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19474 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19474 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19474 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19474 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19474 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19474 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19474 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19474 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19474 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19474 5 refinement 19474 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19474 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19474 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19474 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19474 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 19474 1 2 spectrometer_2 Bruker Avance . 600 . . . 19474 1 3 spectrometer_3 Bruker Avance . 500 . . . 19474 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 19474 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19474 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19474 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19474 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19474 1 5 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19474 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19474 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19474 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19474 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19474 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19474 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 19474 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 19474 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 19474 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 19474 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 19474 _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' . . . 19474 1 2 '2D 1H-13C HSQC aliphatic' . . . 19474 1 3 '2D 1H-13C HSQC aromatic' . . . 19474 1 4 '3D H(CCO)NH' . . . 19474 1 5 '3D (H)CC(CO)NH' . . . 19474 1 6 '3D HCCH-TOCSY' . . . 19474 1 7 '3D HNCACB' . . . 19474 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 H H 1 8.441 0.002 . . . . . A 325 GLY H1 . 19474 1 2 . 1 1 1 1 GLY CA C 13 45.383 0.000 . . . . . A 325 GLY CA . 19474 1 3 . 1 1 1 1 GLY N N 15 110.049 0.006 . . . . . A 325 GLY N . 19474 1 4 . 1 1 3 3 HIS HA H 1 4.162 0.000 . . . . . A 327 HIS HA . 19474 1 5 . 1 1 3 3 HIS HB2 H 1 2.856 0.000 . . . . . A 327 HIS HB2 . 19474 1 6 . 1 1 3 3 HIS HB3 H 1 3.128 0.000 . . . . . A 327 HIS HB3 . 19474 1 7 . 1 1 3 3 HIS HD2 H 1 6.909 0.004 . . . . . A 327 HIS HD2 . 19474 1 8 . 1 1 3 3 HIS CA C 13 55.462 0.000 . . . . . A 327 HIS CA . 19474 1 9 . 1 1 3 3 HIS CB C 13 31.790 0.030 . . . . . A 327 HIS CB . 19474 1 10 . 1 1 3 3 HIS CD2 C 13 117.731 0.000 . . . . . A 327 HIS CD2 . 19474 1 11 . 1 1 4 4 MET H H 1 8.491 0.001 . . . . . A 328 MET H . 19474 1 12 . 1 1 4 4 MET HA H 1 4.357 0.004 . . . . . A 328 MET HA . 19474 1 13 . 1 1 4 4 MET HB2 H 1 2.072 0.008 . . . . . A 328 MET HB2 . 19474 1 14 . 1 1 4 4 MET HB3 H 1 2.072 0.008 . . . . . A 328 MET HB3 . 19474 1 15 . 1 1 4 4 MET HG2 H 1 2.374 0.005 . . . . . A 328 MET HG2 . 19474 1 16 . 1 1 4 4 MET HG3 H 1 2.196 0.002 . . . . . A 328 MET HG3 . 19474 1 17 . 1 1 4 4 MET CA C 13 55.551 0.040 . . . . . A 328 MET CA . 19474 1 18 . 1 1 4 4 MET CB C 13 32.034 0.195 . . . . . A 328 MET CB . 19474 1 19 . 1 1 4 4 MET CG C 13 31.716 0.002 . . . . . A 328 MET CG . 19474 1 20 . 1 1 4 4 MET N N 15 120.595 0.005 . . . . . A 328 MET N . 19474 1 21 . 1 1 5 5 GLY H H 1 8.358 0.002 . . . . . A 329 GLY H . 19474 1 22 . 1 1 5 5 GLY HA2 H 1 3.931 0.000 . . . . . A 329 GLY HA2 . 19474 1 23 . 1 1 5 5 GLY HA3 H 1 3.931 0.000 . . . . . A 329 GLY HA3 . 19474 1 24 . 1 1 5 5 GLY CA C 13 45.429 0.006 . . . . . A 329 GLY CA . 19474 1 25 . 1 1 5 5 GLY N N 15 109.579 0.011 . . . . . A 329 GLY N . 19474 1 26 . 1 1 6 6 ARG H H 1 8.189 0.002 . . . . . A 330 ARG H . 19474 1 27 . 1 1 6 6 ARG HA H 1 4.359 0.000 . . . . . A 330 ARG HA . 19474 1 28 . 1 1 6 6 ARG HB2 H 1 1.779 0.000 . . . . . A 330 ARG HB2 . 19474 1 29 . 1 1 6 6 ARG HB3 H 1 1.871 0.000 . . . . . A 330 ARG HB3 . 19474 1 30 . 1 1 6 6 ARG HG2 H 1 1.617 0.000 . . . . . A 330 ARG HG2 . 19474 1 31 . 1 1 6 6 ARG HG3 H 1 1.617 0.000 . . . . . A 330 ARG HG3 . 19474 1 32 . 1 1 6 6 ARG HD2 H 1 3.218 0.000 . . . . . A 330 ARG HD2 . 19474 1 33 . 1 1 6 6 ARG HD3 H 1 3.218 0.000 . . . . . A 330 ARG HD3 . 19474 1 34 . 1 1 6 6 ARG CA C 13 56.424 0.007 . . . . . A 330 ARG CA . 19474 1 35 . 1 1 6 6 ARG CB C 13 30.584 0.005 . . . . . A 330 ARG CB . 19474 1 36 . 1 1 6 6 ARG CG C 13 27.056 0.000 . . . . . A 330 ARG CG . 19474 1 37 . 1 1 6 6 ARG CD C 13 43.297 0.000 . . . . . A 330 ARG CD . 19474 1 38 . 1 1 6 6 ARG N N 15 120.437 0.018 . . . . . A 330 ARG N . 19474 1 39 . 1 1 7 7 ILE H H 1 8.201 0.002 . . . . . A 331 ILE H . 19474 1 40 . 1 1 7 7 ILE HA H 1 4.028 0.006 . . . . . A 331 ILE HA . 19474 1 41 . 1 1 7 7 ILE HB H 1 1.844 0.003 . . . . . A 331 ILE HB . 19474 1 42 . 1 1 7 7 ILE HG12 H 1 1.447 0.005 . . . . . A 331 ILE HG12 . 19474 1 43 . 1 1 7 7 ILE HG13 H 1 1.122 0.002 . . . . . A 331 ILE HG13 . 19474 1 44 . 1 1 7 7 ILE HG21 H 1 0.876 0.004 . . . . . A 331 ILE HG21 . 19474 1 45 . 1 1 7 7 ILE HG22 H 1 0.876 0.004 . . . . . A 331 ILE HG22 . 19474 1 46 . 1 1 7 7 ILE HG23 H 1 0.876 0.004 . . . . . A 331 ILE HG23 . 19474 1 47 . 1 1 7 7 ILE HD11 H 1 0.790 0.001 . . . . . A 331 ILE HD11 . 19474 1 48 . 1 1 7 7 ILE HD12 H 1 0.790 0.001 . . . . . A 331 ILE HD12 . 19474 1 49 . 1 1 7 7 ILE HD13 H 1 0.790 0.001 . . . . . A 331 ILE HD13 . 19474 1 50 . 1 1 7 7 ILE CA C 13 62.026 0.042 . . . . . A 331 ILE CA . 19474 1 51 . 1 1 7 7 ILE CB C 13 38.286 0.027 . . . . . A 331 ILE CB . 19474 1 52 . 1 1 7 7 ILE CG1 C 13 27.796 0.000 . . . . . A 331 ILE CG1 . 19474 1 53 . 1 1 7 7 ILE CG2 C 13 17.471 0.024 . . . . . A 331 ILE CG2 . 19474 1 54 . 1 1 7 7 ILE CD1 C 13 13.002 0.065 . . . . . A 331 ILE CD1 . 19474 1 55 . 1 1 7 7 ILE N N 15 122.393 0.007 . . . . . A 331 ILE N . 19474 1 56 . 1 1 8 8 ALA H H 1 8.305 0.001 . . . . . A 332 ALA H . 19474 1 57 . 1 1 8 8 ALA HA H 1 4.226 0.000 . . . . . A 332 ALA HA . 19474 1 58 . 1 1 8 8 ALA HB1 H 1 1.384 0.000 . . . . . A 332 ALA HB1 . 19474 1 59 . 1 1 8 8 ALA HB2 H 1 1.384 0.000 . . . . . A 332 ALA HB2 . 19474 1 60 . 1 1 8 8 ALA HB3 H 1 1.384 0.000 . . . . . A 332 ALA HB3 . 19474 1 61 . 1 1 8 8 ALA CA C 13 53.567 0.041 . . . . . A 332 ALA CA . 19474 1 62 . 1 1 8 8 ALA CB C 13 18.967 0.025 . . . . . A 332 ALA CB . 19474 1 63 . 1 1 8 8 ALA N N 15 126.469 0.014 . . . . . A 332 ALA N . 19474 1 64 . 1 1 9 9 ASP H H 1 8.160 0.003 . . . . . A 333 ASP H . 19474 1 65 . 1 1 9 9 ASP HA H 1 4.576 0.000 . . . . . A 333 ASP HA . 19474 1 66 . 1 1 9 9 ASP HB2 H 1 2.716 0.000 . . . . . A 333 ASP HB2 . 19474 1 67 . 1 1 9 9 ASP HB3 H 1 2.716 0.000 . . . . . A 333 ASP HB3 . 19474 1 68 . 1 1 9 9 ASP CA C 13 55.020 0.107 . . . . . A 333 ASP CA . 19474 1 69 . 1 1 9 9 ASP CB C 13 41.191 0.018 . . . . . A 333 ASP CB . 19474 1 70 . 1 1 9 9 ASP N N 15 118.594 0.032 . . . . . A 333 ASP N . 19474 1 71 . 1 1 10 10 SER H H 1 8.157 0.001 . . . . . A 334 SER H . 19474 1 72 . 1 1 10 10 SER HA H 1 4.506 0.000 . . . . . A 334 SER HA . 19474 1 73 . 1 1 10 10 SER HB2 H 1 3.568 0.006 . . . . . A 334 SER HB2 . 19474 1 74 . 1 1 10 10 SER HB3 H 1 3.937 0.004 . . . . . A 334 SER HB3 . 19474 1 75 . 1 1 10 10 SER CA C 13 59.522 0.000 . . . . . A 334 SER CA . 19474 1 76 . 1 1 10 10 SER CB C 13 63.669 0.092 . . . . . A 334 SER CB . 19474 1 77 . 1 1 10 10 SER N N 15 115.953 0.031 . . . . . A 334 SER N . 19474 1 78 . 1 1 12 12 LEU HA H 1 4.607 0.010 . . . . . A 336 LEU HA . 19474 1 79 . 1 1 12 12 LEU HB2 H 1 1.543 0.003 . . . . . A 336 LEU HB2 . 19474 1 80 . 1 1 12 12 LEU HB3 H 1 1.543 0.003 . . . . . A 336 LEU HB3 . 19474 1 81 . 1 1 12 12 LEU HG H 1 1.803 0.004 . . . . . A 336 LEU HG . 19474 1 82 . 1 1 12 12 LEU HD11 H 1 1.023 0.002 . . . . . A 336 LEU HD11 . 19474 1 83 . 1 1 12 12 LEU HD12 H 1 1.023 0.002 . . . . . A 336 LEU HD12 . 19474 1 84 . 1 1 12 12 LEU HD13 H 1 1.023 0.002 . . . . . A 336 LEU HD13 . 19474 1 85 . 1 1 12 12 LEU HD21 H 1 1.108 0.004 . . . . . A 336 LEU HD21 . 19474 1 86 . 1 1 12 12 LEU HD22 H 1 1.108 0.004 . . . . . A 336 LEU HD22 . 19474 1 87 . 1 1 12 12 LEU HD23 H 1 1.108 0.004 . . . . . A 336 LEU HD23 . 19474 1 88 . 1 1 12 12 LEU CA C 13 55.263 0.007 . . . . . A 336 LEU CA . 19474 1 89 . 1 1 12 12 LEU CB C 13 42.602 0.021 . . . . . A 336 LEU CB . 19474 1 90 . 1 1 12 12 LEU CG C 13 27.163 0.000 . . . . . A 336 LEU CG . 19474 1 91 . 1 1 12 12 LEU CD1 C 13 23.068 0.022 . . . . . A 336 LEU CD1 . 19474 1 92 . 1 1 12 12 LEU CD2 C 13 25.438 0.049 . . . . . A 336 LEU CD2 . 19474 1 93 . 1 1 13 13 LEU HA H 1 3.480 0.008 . . . . . A 337 LEU HA . 19474 1 94 . 1 1 13 13 LEU HB2 H 1 1.090 0.003 . . . . . A 337 LEU HB2 . 19474 1 95 . 1 1 13 13 LEU HB3 H 1 1.800 0.003 . . . . . A 337 LEU HB3 . 19474 1 96 . 1 1 13 13 LEU HG H 1 0.922 0.004 . . . . . A 337 LEU HG . 19474 1 97 . 1 1 13 13 LEU HD11 H 1 -0.370 0.002 . . . . . A 337 LEU HD11 . 19474 1 98 . 1 1 13 13 LEU HD12 H 1 -0.370 0.002 . . . . . A 337 LEU HD12 . 19474 1 99 . 1 1 13 13 LEU HD13 H 1 -0.370 0.002 . . . . . A 337 LEU HD13 . 19474 1 100 . 1 1 13 13 LEU HD21 H 1 0.372 0.003 . . . . . A 337 LEU HD21 . 19474 1 101 . 1 1 13 13 LEU HD22 H 1 0.372 0.003 . . . . . A 337 LEU HD22 . 19474 1 102 . 1 1 13 13 LEU HD23 H 1 0.372 0.003 . . . . . A 337 LEU HD23 . 19474 1 103 . 1 1 13 13 LEU CA C 13 58.363 0.014 . . . . . A 337 LEU CA . 19474 1 104 . 1 1 13 13 LEU CB C 13 39.899 0.003 . . . . . A 337 LEU CB . 19474 1 105 . 1 1 13 13 LEU CG C 13 26.574 0.008 . . . . . A 337 LEU CG . 19474 1 106 . 1 1 13 13 LEU CD1 C 13 21.322 0.010 . . . . . A 337 LEU CD1 . 19474 1 107 . 1 1 13 13 LEU CD2 C 13 26.355 0.019 . . . . . A 337 LEU CD2 . 19474 1 108 . 1 1 14 14 TRP HD1 H 1 6.956 0.005 . . . . . A 338 TRP HD1 . 19474 1 109 . 1 1 14 14 TRP HE1 H 1 10.017 0.000 . . . . . A 338 TRP HE1 . 19474 1 110 . 1 1 14 14 TRP HZ2 H 1 7.180 0.000 . . . . . A 338 TRP HZ2 . 19474 1 111 . 1 1 14 14 TRP HH2 H 1 6.970 0.000 . . . . . A 338 TRP HH2 . 19474 1 112 . 1 1 14 14 TRP CB C 13 28.045 0.000 . . . . . A 338 TRP CB . 19474 1 113 . 1 1 14 14 TRP CD1 C 13 126.184 0.000 . . . . . A 338 TRP CD1 . 19474 1 114 . 1 1 14 14 TRP CZ2 C 13 114.612 0.000 . . . . . A 338 TRP CZ2 . 19474 1 115 . 1 1 14 14 TRP CH2 C 13 124.267 0.000 . . . . . A 338 TRP CH2 . 19474 1 116 . 1 1 14 14 TRP NE1 N 15 129.238 0.000 . . . . . A 338 TRP NE1 . 19474 1 117 . 1 1 15 15 ASP HA H 1 4.034 0.000 . . . . . A 339 ASP HA . 19474 1 118 . 1 1 15 15 ASP HB2 H 1 2.380 0.000 . . . . . A 339 ASP HB2 . 19474 1 119 . 1 1 15 15 ASP HB3 H 1 2.380 0.000 . . . . . A 339 ASP HB3 . 19474 1 120 . 1 1 15 15 ASP CA C 13 56.618 0.076 . . . . . A 339 ASP CA . 19474 1 121 . 1 1 15 15 ASP CB C 13 41.291 0.028 . . . . . A 339 ASP CB . 19474 1 122 . 1 1 16 16 TYR H H 1 8.049 0.003 . . . . . A 340 TYR H . 19474 1 123 . 1 1 16 16 TYR HA H 1 3.962 0.000 . . . . . A 340 TYR HA . 19474 1 124 . 1 1 16 16 TYR HB2 H 1 3.056 0.000 . . . . . A 340 TYR HB2 . 19474 1 125 . 1 1 16 16 TYR HB3 H 1 2.770 0.000 . . . . . A 340 TYR HB3 . 19474 1 126 . 1 1 16 16 TYR HD1 H 1 6.470 0.005 . . . . . A 340 TYR HD1 . 19474 1 127 . 1 1 16 16 TYR HD2 H 1 6.473 0.004 . . . . . A 340 TYR HD2 . 19474 1 128 . 1 1 16 16 TYR HE1 H 1 6.191 0.004 . . . . . A 340 TYR HE1 . 19474 1 129 . 1 1 16 16 TYR HE2 H 1 6.190 0.002 . . . . . A 340 TYR HE2 . 19474 1 130 . 1 1 16 16 TYR CA C 13 61.929 0.060 . . . . . A 340 TYR CA . 19474 1 131 . 1 1 16 16 TYR CB C 13 39.301 0.046 . . . . . A 340 TYR CB . 19474 1 132 . 1 1 16 16 TYR CD2 C 13 132.029 0.000 . . . . . A 340 TYR CD2 . 19474 1 133 . 1 1 16 16 TYR CE1 C 13 117.373 0.007 . . . . . A 340 TYR CE1 . 19474 1 134 . 1 1 16 16 TYR CE2 C 13 117.369 0.000 . . . . . A 340 TYR CE2 . 19474 1 135 . 1 1 16 16 TYR N N 15 121.073 0.028 . . . . . A 340 TYR N . 19474 1 136 . 1 1 17 17 VAL H H 1 8.315 0.002 . . . . . A 341 VAL H . 19474 1 137 . 1 1 17 17 VAL HA H 1 3.014 0.000 . . . . . A 341 VAL HA . 19474 1 138 . 1 1 17 17 VAL HB H 1 1.859 0.000 . . . . . A 341 VAL HB . 19474 1 139 . 1 1 17 17 VAL HG11 H 1 0.646 0.003 . . . . . A 341 VAL HG11 . 19474 1 140 . 1 1 17 17 VAL HG12 H 1 0.646 0.003 . . . . . A 341 VAL HG12 . 19474 1 141 . 1 1 17 17 VAL HG13 H 1 0.646 0.003 . . . . . A 341 VAL HG13 . 19474 1 142 . 1 1 17 17 VAL HG21 H 1 0.290 0.004 . . . . . A 341 VAL HG21 . 19474 1 143 . 1 1 17 17 VAL HG22 H 1 0.290 0.004 . . . . . A 341 VAL HG22 . 19474 1 144 . 1 1 17 17 VAL HG23 H 1 0.290 0.004 . . . . . A 341 VAL HG23 . 19474 1 145 . 1 1 17 17 VAL CA C 13 66.922 0.128 . . . . . A 341 VAL CA . 19474 1 146 . 1 1 17 17 VAL CB C 13 30.840 0.006 . . . . . A 341 VAL CB . 19474 1 147 . 1 1 17 17 VAL CG1 C 13 21.721 0.084 . . . . . A 341 VAL CG1 . 19474 1 148 . 1 1 17 17 VAL CG2 C 13 21.645 0.007 . . . . . A 341 VAL CG2 . 19474 1 149 . 1 1 17 17 VAL N N 15 115.321 0.018 . . . . . A 341 VAL N . 19474 1 150 . 1 1 18 18 TYR H H 1 7.734 0.004 . . . . . A 342 TYR H . 19474 1 151 . 1 1 18 18 TYR HA H 1 3.664 0.000 . . . . . A 342 TYR HA . 19474 1 152 . 1 1 18 18 TYR HB2 H 1 2.777 0.000 . . . . . A 342 TYR HB2 . 19474 1 153 . 1 1 18 18 TYR HB3 H 1 2.956 0.000 . . . . . A 342 TYR HB3 . 19474 1 154 . 1 1 18 18 TYR HD1 H 1 6.641 0.000 . . . . . A 342 TYR HD1 . 19474 1 155 . 1 1 18 18 TYR HD2 H 1 6.639 0.004 . . . . . A 342 TYR HD2 . 19474 1 156 . 1 1 18 18 TYR HE1 H 1 6.491 0.000 . . . . . A 342 TYR HE1 . 19474 1 157 . 1 1 18 18 TYR HE2 H 1 6.491 0.001 . . . . . A 342 TYR HE2 . 19474 1 158 . 1 1 18 18 TYR CA C 13 62.788 0.108 . . . . . A 342 TYR CA . 19474 1 159 . 1 1 18 18 TYR CB C 13 38.024 0.037 . . . . . A 342 TYR CB . 19474 1 160 . 1 1 18 18 TYR CD1 C 13 132.541 0.000 . . . . . A 342 TYR CD1 . 19474 1 161 . 1 1 18 18 TYR CD2 C 13 132.293 0.073 . . . . . A 342 TYR CD2 . 19474 1 162 . 1 1 18 18 TYR CE1 C 13 117.678 0.000 . . . . . A 342 TYR CE1 . 19474 1 163 . 1 1 18 18 TYR CE2 C 13 117.743 0.030 . . . . . A 342 TYR CE2 . 19474 1 164 . 1 1 18 18 TYR N N 15 118.969 0.019 . . . . . A 342 TYR N . 19474 1 165 . 1 1 19 19 GLN H H 1 8.266 0.002 . . . . . A 343 GLN H . 19474 1 166 . 1 1 19 19 GLN HA H 1 3.858 0.000 . . . . . A 343 GLN HA . 19474 1 167 . 1 1 19 19 GLN HB2 H 1 2.011 0.000 . . . . . A 343 GLN HB2 . 19474 1 168 . 1 1 19 19 GLN HB3 H 1 2.011 0.000 . . . . . A 343 GLN HB3 . 19474 1 169 . 1 1 19 19 GLN HG2 H 1 2.373 0.000 . . . . . A 343 GLN HG2 . 19474 1 170 . 1 1 19 19 GLN HG3 H 1 2.373 0.000 . . . . . A 343 GLN HG3 . 19474 1 171 . 1 1 19 19 GLN HE21 H 1 7.521 0.000 . . . . . A 343 GLN HE21 . 19474 1 172 . 1 1 19 19 GLN HE22 H 1 6.755 0.000 . . . . . A 343 GLN HE22 . 19474 1 173 . 1 1 19 19 GLN CA C 13 58.838 0.000 . . . . . A 343 GLN CA . 19474 1 174 . 1 1 19 19 GLN CB C 13 27.460 0.018 . . . . . A 343 GLN CB . 19474 1 175 . 1 1 19 19 GLN CG C 13 33.314 0.030 . . . . . A 343 GLN CG . 19474 1 176 . 1 1 19 19 GLN N N 15 119.354 0.014 . . . . . A 343 GLN N . 19474 1 177 . 1 1 19 19 GLN NE2 N 15 112.333 0.003 . . . . . A 343 GLN NE2 . 19474 1 178 . 1 1 20 20 LEU H H 1 7.929 0.004 . . . . . A 344 LEU H . 19474 1 179 . 1 1 20 20 LEU HA H 1 3.628 0.005 . . . . . A 344 LEU HA . 19474 1 180 . 1 1 20 20 LEU HB2 H 1 1.353 0.001 . . . . . A 344 LEU HB2 . 19474 1 181 . 1 1 20 20 LEU HB3 H 1 0.715 0.003 . . . . . A 344 LEU HB3 . 19474 1 182 . 1 1 20 20 LEU HG H 1 0.662 0.005 . . . . . A 344 LEU HG . 19474 1 183 . 1 1 20 20 LEU HD11 H 1 -0.425 0.004 . . . . . A 344 LEU HD11 . 19474 1 184 . 1 1 20 20 LEU HD12 H 1 -0.425 0.004 . . . . . A 344 LEU HD12 . 19474 1 185 . 1 1 20 20 LEU HD13 H 1 -0.425 0.004 . . . . . A 344 LEU HD13 . 19474 1 186 . 1 1 20 20 LEU HD21 H 1 0.065 0.003 . . . . . A 344 LEU HD21 . 19474 1 187 . 1 1 20 20 LEU HD22 H 1 0.065 0.003 . . . . . A 344 LEU HD22 . 19474 1 188 . 1 1 20 20 LEU HD23 H 1 0.065 0.003 . . . . . A 344 LEU HD23 . 19474 1 189 . 1 1 20 20 LEU CA C 13 57.932 0.025 . . . . . A 344 LEU CA . 19474 1 190 . 1 1 20 20 LEU CB C 13 41.501 0.013 . . . . . A 344 LEU CB . 19474 1 191 . 1 1 20 20 LEU CG C 13 25.689 0.008 . . . . . A 344 LEU CG . 19474 1 192 . 1 1 20 20 LEU CD1 C 13 20.199 0.024 . . . . . A 344 LEU CD1 . 19474 1 193 . 1 1 20 20 LEU CD2 C 13 25.730 0.031 . . . . . A 344 LEU CD2 . 19474 1 194 . 1 1 20 20 LEU N N 15 121.449 0.075 . . . . . A 344 LEU N . 19474 1 195 . 1 1 21 21 LEU H H 1 7.512 0.002 . . . . . A 345 LEU H . 19474 1 196 . 1 1 21 21 LEU HA H 1 3.524 0.005 . . . . . A 345 LEU HA . 19474 1 197 . 1 1 21 21 LEU HB2 H 1 1.210 0.001 . . . . . A 345 LEU HB2 . 19474 1 198 . 1 1 21 21 LEU HB3 H 1 0.295 0.001 . . . . . A 345 LEU HB3 . 19474 1 199 . 1 1 21 21 LEU HG H 1 0.782 0.000 . . . . . A 345 LEU HG . 19474 1 200 . 1 1 21 21 LEU HD11 H 1 -0.338 0.004 . . . . . A 345 LEU HD11 . 19474 1 201 . 1 1 21 21 LEU HD12 H 1 -0.338 0.004 . . . . . A 345 LEU HD12 . 19474 1 202 . 1 1 21 21 LEU HD13 H 1 -0.338 0.004 . . . . . A 345 LEU HD13 . 19474 1 203 . 1 1 21 21 LEU HD21 H 1 -0.880 0.003 . . . . . A 345 LEU HD21 . 19474 1 204 . 1 1 21 21 LEU HD22 H 1 -0.880 0.003 . . . . . A 345 LEU HD22 . 19474 1 205 . 1 1 21 21 LEU HD23 H 1 -0.880 0.003 . . . . . A 345 LEU HD23 . 19474 1 206 . 1 1 21 21 LEU CA C 13 56.453 0.031 . . . . . A 345 LEU CA . 19474 1 207 . 1 1 21 21 LEU CB C 13 41.308 0.038 . . . . . A 345 LEU CB . 19474 1 208 . 1 1 21 21 LEU CD1 C 13 23.880 0.025 . . . . . A 345 LEU CD1 . 19474 1 209 . 1 1 21 21 LEU CD2 C 13 24.478 0.031 . . . . . A 345 LEU CD2 . 19474 1 210 . 1 1 21 21 LEU N N 15 116.896 0.023 . . . . . A 345 LEU N . 19474 1 211 . 1 1 22 22 SER H H 1 7.285 0.002 . . . . . A 346 SER H . 19474 1 212 . 1 1 22 22 SER HA H 1 4.534 0.000 . . . . . A 346 SER HA . 19474 1 213 . 1 1 22 22 SER HB2 H 1 4.000 0.000 . . . . . A 346 SER HB2 . 19474 1 214 . 1 1 22 22 SER HB3 H 1 4.000 0.000 . . . . . A 346 SER HB3 . 19474 1 215 . 1 1 22 22 SER CA C 13 58.809 0.070 . . . . . A 346 SER CA . 19474 1 216 . 1 1 22 22 SER CB C 13 63.942 0.073 . . . . . A 346 SER CB . 19474 1 217 . 1 1 22 22 SER N N 15 112.500 0.018 . . . . . A 346 SER N . 19474 1 218 . 1 1 23 23 ASP H H 1 7.359 0.001 . . . . . A 347 ASP H . 19474 1 219 . 1 1 23 23 ASP HA H 1 4.993 0.000 . . . . . A 347 ASP HA . 19474 1 220 . 1 1 23 23 ASP HB2 H 1 3.235 0.000 . . . . . A 347 ASP HB2 . 19474 1 221 . 1 1 23 23 ASP HB3 H 1 2.544 0.000 . . . . . A 347 ASP HB3 . 19474 1 222 . 1 1 23 23 ASP CA C 13 52.727 0.019 . . . . . A 347 ASP CA . 19474 1 223 . 1 1 23 23 ASP CB C 13 43.345 0.023 . . . . . A 347 ASP CB . 19474 1 224 . 1 1 23 23 ASP N N 15 122.195 0.015 . . . . . A 347 ASP N . 19474 1 225 . 1 1 24 24 SER H H 1 8.746 0.003 . . . . . A 348 SER H . 19474 1 226 . 1 1 24 24 SER HA H 1 4.381 0.000 . . . . . A 348 SER HA . 19474 1 227 . 1 1 24 24 SER HB2 H 1 4.086 0.000 . . . . . A 348 SER HB2 . 19474 1 228 . 1 1 24 24 SER HB3 H 1 4.086 0.000 . . . . . A 348 SER HB3 . 19474 1 229 . 1 1 24 24 SER CA C 13 61.189 0.046 . . . . . A 348 SER CA . 19474 1 230 . 1 1 24 24 SER CB C 13 63.235 0.136 . . . . . A 348 SER CB . 19474 1 231 . 1 1 24 24 SER N N 15 120.262 0.007 . . . . . A 348 SER N . 19474 1 232 . 1 1 25 25 ARG H H 1 8.648 0.001 . . . . . A 349 ARG H . 19474 1 233 . 1 1 25 25 ARG HA H 1 4.130 0.004 . . . . . A 349 ARG HA . 19474 1 234 . 1 1 25 25 ARG HB2 H 1 1.523 0.007 . . . . . A 349 ARG HB2 . 19474 1 235 . 1 1 25 25 ARG HB3 H 1 1.382 0.002 . . . . . A 349 ARG HB3 . 19474 1 236 . 1 1 25 25 ARG HG2 H 1 1.408 0.008 . . . . . A 349 ARG HG2 . 19474 1 237 . 1 1 25 25 ARG HG3 H 1 1.408 0.008 . . . . . A 349 ARG HG3 . 19474 1 238 . 1 1 25 25 ARG HD2 H 1 3.130 0.009 . . . . . A 349 ARG HD2 . 19474 1 239 . 1 1 25 25 ARG HD3 H 1 2.995 0.003 . . . . . A 349 ARG HD3 . 19474 1 240 . 1 1 25 25 ARG CA C 13 58.621 0.004 . . . . . A 349 ARG CA . 19474 1 241 . 1 1 25 25 ARG CB C 13 29.509 0.122 . . . . . A 349 ARG CB . 19474 1 242 . 1 1 25 25 ARG CG C 13 26.467 0.079 . . . . . A 349 ARG CG . 19474 1 243 . 1 1 25 25 ARG CD C 13 43.423 0.000 . . . . . A 349 ARG CD . 19474 1 244 . 1 1 25 25 ARG N N 15 122.834 0.007 . . . . . A 349 ARG N . 19474 1 245 . 1 1 26 26 TYR H H 1 8.326 0.001 . . . . . A 350 TYR H . 19474 1 246 . 1 1 26 26 TYR HA H 1 4.911 0.000 . . . . . A 350 TYR HA . 19474 1 247 . 1 1 26 26 TYR HB2 H 1 3.154 0.000 . . . . . A 350 TYR HB2 . 19474 1 248 . 1 1 26 26 TYR HB3 H 1 3.451 0.000 . . . . . A 350 TYR HB3 . 19474 1 249 . 1 1 26 26 TYR HD1 H 1 7.203 0.004 . . . . . A 350 TYR HD1 . 19474 1 250 . 1 1 26 26 TYR HD2 H 1 7.204 0.000 . . . . . A 350 TYR HD2 . 19474 1 251 . 1 1 26 26 TYR HE1 H 1 6.712 0.003 . . . . . A 350 TYR HE1 . 19474 1 252 . 1 1 26 26 TYR HE2 H 1 6.714 0.000 . . . . . A 350 TYR HE2 . 19474 1 253 . 1 1 26 26 TYR CA C 13 58.799 0.078 . . . . . A 350 TYR CA . 19474 1 254 . 1 1 26 26 TYR CB C 13 37.480 0.039 . . . . . A 350 TYR CB . 19474 1 255 . 1 1 26 26 TYR CD1 C 13 133.501 0.001 . . . . . A 350 TYR CD1 . 19474 1 256 . 1 1 26 26 TYR CD2 C 13 133.525 0.000 . . . . . A 350 TYR CD2 . 19474 1 257 . 1 1 26 26 TYR CE1 C 13 118.075 0.026 . . . . . A 350 TYR CE1 . 19474 1 258 . 1 1 26 26 TYR CE2 C 13 118.053 0.000 . . . . . A 350 TYR CE2 . 19474 1 259 . 1 1 26 26 TYR N N 15 116.420 0.016 . . . . . A 350 TYR N . 19474 1 260 . 1 1 27 27 GLU H H 1 7.547 0.001 . . . . . A 351 GLU H . 19474 1 261 . 1 1 27 27 GLU HA H 1 4.482 0.000 . . . . . A 351 GLU HA . 19474 1 262 . 1 1 27 27 GLU HB2 H 1 2.211 0.007 . . . . . A 351 GLU HB2 . 19474 1 263 . 1 1 27 27 GLU HB3 H 1 2.101 0.004 . . . . . A 351 GLU HB3 . 19474 1 264 . 1 1 27 27 GLU HG2 H 1 2.431 0.000 . . . . . A 351 GLU HG2 . 19474 1 265 . 1 1 27 27 GLU HG3 H 1 2.431 0.000 . . . . . A 351 GLU HG3 . 19474 1 266 . 1 1 27 27 GLU CA C 13 59.097 0.049 . . . . . A 351 GLU CA . 19474 1 267 . 1 1 27 27 GLU CB C 13 29.714 0.018 . . . . . A 351 GLU CB . 19474 1 268 . 1 1 27 27 GLU CG C 13 36.217 0.000 . . . . . A 351 GLU CG . 19474 1 269 . 1 1 27 27 GLU N N 15 120.891 0.008 . . . . . A 351 GLU N . 19474 1 270 . 1 1 28 28 ASN H H 1 8.686 0.001 . . . . . A 352 ASN H . 19474 1 271 . 1 1 28 28 ASN HA H 1 4.509 0.004 . . . . . A 352 ASN HA . 19474 1 272 . 1 1 28 28 ASN HB2 H 1 2.510 0.009 . . . . . A 352 ASN HB2 . 19474 1 273 . 1 1 28 28 ASN HB3 H 1 2.328 0.003 . . . . . A 352 ASN HB3 . 19474 1 274 . 1 1 28 28 ASN HD21 H 1 7.269 0.000 . . . . . A 352 ASN HD21 . 19474 1 275 . 1 1 28 28 ASN HD22 H 1 6.481 0.000 . . . . . A 352 ASN HD22 . 19474 1 276 . 1 1 28 28 ASN CA C 13 54.011 0.041 . . . . . A 352 ASN CA . 19474 1 277 . 1 1 28 28 ASN CB C 13 36.703 0.024 . . . . . A 352 ASN CB . 19474 1 278 . 1 1 28 28 ASN N N 15 114.663 0.007 . . . . . A 352 ASN N . 19474 1 279 . 1 1 28 28 ASN ND2 N 15 112.406 0.009 . . . . . A 352 ASN ND2 . 19474 1 280 . 1 1 29 29 PHE H H 1 8.590 0.002 . . . . . A 353 PHE H . 19474 1 281 . 1 1 29 29 PHE HA H 1 4.759 0.000 . . . . . A 353 PHE HA . 19474 1 282 . 1 1 29 29 PHE HB2 H 1 3.028 0.000 . . . . . A 353 PHE HB2 . 19474 1 283 . 1 1 29 29 PHE HB3 H 1 3.234 0.000 . . . . . A 353 PHE HB3 . 19474 1 284 . 1 1 29 29 PHE HD1 H 1 7.255 0.005 . . . . . A 353 PHE HD1 . 19474 1 285 . 1 1 29 29 PHE HD2 H 1 7.250 0.005 . . . . . A 353 PHE HD2 . 19474 1 286 . 1 1 29 29 PHE HE1 H 1 7.422 0.003 . . . . . A 353 PHE HE1 . 19474 1 287 . 1 1 29 29 PHE HE2 H 1 7.423 0.006 . . . . . A 353 PHE HE2 . 19474 1 288 . 1 1 29 29 PHE CA C 13 59.581 0.087 . . . . . A 353 PHE CA . 19474 1 289 . 1 1 29 29 PHE CB C 13 41.245 0.017 . . . . . A 353 PHE CB . 19474 1 290 . 1 1 29 29 PHE CD1 C 13 131.495 0.013 . . . . . A 353 PHE CD1 . 19474 1 291 . 1 1 29 29 PHE CD2 C 13 131.259 0.000 . . . . . A 353 PHE CD2 . 19474 1 292 . 1 1 29 29 PHE CE1 C 13 131.658 0.011 . . . . . A 353 PHE CE1 . 19474 1 293 . 1 1 29 29 PHE CE2 C 13 131.816 0.000 . . . . . A 353 PHE CE2 . 19474 1 294 . 1 1 29 29 PHE N N 15 115.652 0.011 . . . . . A 353 PHE N . 19474 1 295 . 1 1 30 30 ILE H H 1 8.449 0.003 . . . . . A 354 ILE H . 19474 1 296 . 1 1 30 30 ILE HA H 1 5.093 0.005 . . . . . A 354 ILE HA . 19474 1 297 . 1 1 30 30 ILE HB H 1 1.835 0.003 . . . . . A 354 ILE HB . 19474 1 298 . 1 1 30 30 ILE HG12 H 1 1.670 0.000 . . . . . A 354 ILE HG12 . 19474 1 299 . 1 1 30 30 ILE HG13 H 1 0.782 0.001 . . . . . A 354 ILE HG13 . 19474 1 300 . 1 1 30 30 ILE HG21 H 1 0.642 0.005 . . . . . A 354 ILE HG21 . 19474 1 301 . 1 1 30 30 ILE HG22 H 1 0.642 0.005 . . . . . A 354 ILE HG22 . 19474 1 302 . 1 1 30 30 ILE HG23 H 1 0.642 0.005 . . . . . A 354 ILE HG23 . 19474 1 303 . 1 1 30 30 ILE HD11 H 1 0.508 0.004 . . . . . A 354 ILE HD11 . 19474 1 304 . 1 1 30 30 ILE HD12 H 1 0.508 0.004 . . . . . A 354 ILE HD12 . 19474 1 305 . 1 1 30 30 ILE HD13 H 1 0.508 0.004 . . . . . A 354 ILE HD13 . 19474 1 306 . 1 1 30 30 ILE CA C 13 59.772 0.049 . . . . . A 354 ILE CA . 19474 1 307 . 1 1 30 30 ILE CB C 13 40.528 0.038 . . . . . A 354 ILE CB . 19474 1 308 . 1 1 30 30 ILE CG1 C 13 27.899 0.018 . . . . . A 354 ILE CG1 . 19474 1 309 . 1 1 30 30 ILE CG2 C 13 15.316 0.022 . . . . . A 354 ILE CG2 . 19474 1 310 . 1 1 30 30 ILE CD1 C 13 14.928 0.007 . . . . . A 354 ILE CD1 . 19474 1 311 . 1 1 30 30 ILE N N 15 120.591 0.016 . . . . . A 354 ILE N . 19474 1 312 . 1 1 31 31 ARG H H 1 8.697 0.005 . . . . . A 355 ARG H . 19474 1 313 . 1 1 31 31 ARG HA H 1 4.934 0.000 . . . . . A 355 ARG HA . 19474 1 314 . 1 1 31 31 ARG HB2 H 1 2.027 0.000 . . . . . A 355 ARG HB2 . 19474 1 315 . 1 1 31 31 ARG HB3 H 1 2.027 0.000 . . . . . A 355 ARG HB3 . 19474 1 316 . 1 1 31 31 ARG HG2 H 1 1.467 0.000 . . . . . A 355 ARG HG2 . 19474 1 317 . 1 1 31 31 ARG HG3 H 1 1.467 0.000 . . . . . A 355 ARG HG3 . 19474 1 318 . 1 1 31 31 ARG HD2 H 1 3.218 0.000 . . . . . A 355 ARG HD2 . 19474 1 319 . 1 1 31 31 ARG HD3 H 1 3.218 0.000 . . . . . A 355 ARG HD3 . 19474 1 320 . 1 1 31 31 ARG CA C 13 54.393 0.004 . . . . . A 355 ARG CA . 19474 1 321 . 1 1 31 31 ARG CB C 13 33.530 0.025 . . . . . A 355 ARG CB . 19474 1 322 . 1 1 31 31 ARG CG C 13 25.431 0.000 . . . . . A 355 ARG CG . 19474 1 323 . 1 1 31 31 ARG CD C 13 43.769 0.000 . . . . . A 355 ARG CD . 19474 1 324 . 1 1 31 31 ARG N N 15 121.426 0.020 . . . . . A 355 ARG N . 19474 1 325 . 1 1 32 32 TRP H H 1 9.202 0.005 . . . . . A 356 TRP H . 19474 1 326 . 1 1 32 32 TRP HA H 1 4.915 0.000 . . . . . A 356 TRP HA . 19474 1 327 . 1 1 32 32 TRP HB2 H 1 3.317 0.000 . . . . . A 356 TRP HB2 . 19474 1 328 . 1 1 32 32 TRP HB3 H 1 2.987 0.000 . . . . . A 356 TRP HB3 . 19474 1 329 . 1 1 32 32 TRP HD1 H 1 7.459 0.006 . . . . . A 356 TRP HD1 . 19474 1 330 . 1 1 32 32 TRP HE1 H 1 10.038 0.002 . . . . . A 356 TRP HE1 . 19474 1 331 . 1 1 32 32 TRP HZ2 H 1 7.241 0.002 . . . . . A 356 TRP HZ2 . 19474 1 332 . 1 1 32 32 TRP HH2 H 1 7.076 0.009 . . . . . A 356 TRP HH2 . 19474 1 333 . 1 1 32 32 TRP CA C 13 58.010 0.038 . . . . . A 356 TRP CA . 19474 1 334 . 1 1 32 32 TRP CB C 13 30.323 0.039 . . . . . A 356 TRP CB . 19474 1 335 . 1 1 32 32 TRP CD1 C 13 128.911 0.000 . . . . . A 356 TRP CD1 . 19474 1 336 . 1 1 32 32 TRP CZ2 C 13 115.419 0.066 . . . . . A 356 TRP CZ2 . 19474 1 337 . 1 1 32 32 TRP CH2 C 13 123.932 0.000 . . . . . A 356 TRP CH2 . 19474 1 338 . 1 1 32 32 TRP N N 15 122.075 0.019 . . . . . A 356 TRP N . 19474 1 339 . 1 1 32 32 TRP NE1 N 15 130.494 0.002 . . . . . A 356 TRP NE1 . 19474 1 340 . 1 1 33 33 GLU H H 1 9.567 0.002 . . . . . A 357 GLU H . 19474 1 341 . 1 1 33 33 GLU HA H 1 4.684 0.001 . . . . . A 357 GLU HA . 19474 1 342 . 1 1 33 33 GLU HB2 H 1 1.769 0.000 . . . . . A 357 GLU HB2 . 19474 1 343 . 1 1 33 33 GLU HB3 H 1 1.769 0.000 . . . . . A 357 GLU HB3 . 19474 1 344 . 1 1 33 33 GLU HG2 H 1 2.261 0.000 . . . . . A 357 GLU HG2 . 19474 1 345 . 1 1 33 33 GLU HG3 H 1 2.224 0.000 . . . . . A 357 GLU HG3 . 19474 1 346 . 1 1 33 33 GLU CA C 13 56.880 0.020 . . . . . A 357 GLU CA . 19474 1 347 . 1 1 33 33 GLU CB C 13 31.399 0.068 . . . . . A 357 GLU CB . 19474 1 348 . 1 1 33 33 GLU CG C 13 34.763 0.000 . . . . . A 357 GLU CG . 19474 1 349 . 1 1 33 33 GLU N N 15 125.590 0.010 . . . . . A 357 GLU N . 19474 1 350 . 1 1 34 34 ASP H H 1 7.850 0.001 . . . . . A 358 ASP H . 19474 1 351 . 1 1 34 34 ASP HA H 1 4.781 0.000 . . . . . A 358 ASP HA . 19474 1 352 . 1 1 34 34 ASP HB2 H 1 2.760 0.000 . . . . . A 358 ASP HB2 . 19474 1 353 . 1 1 34 34 ASP HB3 H 1 2.760 0.000 . . . . . A 358 ASP HB3 . 19474 1 354 . 1 1 34 34 ASP CA C 13 53.490 0.046 . . . . . A 358 ASP CA . 19474 1 355 . 1 1 34 34 ASP CB C 13 41.817 0.002 . . . . . A 358 ASP CB . 19474 1 356 . 1 1 34 34 ASP N N 15 116.275 0.007 . . . . . A 358 ASP N . 19474 1 357 . 1 1 35 35 LYS H H 1 9.271 0.002 . . . . . A 359 LYS H . 19474 1 358 . 1 1 35 35 LYS HA H 1 3.197 0.004 . . . . . A 359 LYS HA . 19474 1 359 . 1 1 35 35 LYS HB2 H 1 1.321 0.002 . . . . . A 359 LYS HB2 . 19474 1 360 . 1 1 35 35 LYS HB3 H 1 1.496 0.002 . . . . . A 359 LYS HB3 . 19474 1 361 . 1 1 35 35 LYS HG2 H 1 0.110 0.003 . . . . . A 359 LYS HG2 . 19474 1 362 . 1 1 35 35 LYS HG3 H 1 0.694 0.002 . . . . . A 359 LYS HG3 . 19474 1 363 . 1 1 35 35 LYS HD2 H 1 1.313 0.001 . . . . . A 359 LYS HD2 . 19474 1 364 . 1 1 35 35 LYS HD3 H 1 1.313 0.001 . . . . . A 359 LYS HD3 . 19474 1 365 . 1 1 35 35 LYS HE2 H 1 2.767 0.002 . . . . . A 359 LYS HE2 . 19474 1 366 . 1 1 35 35 LYS HE3 H 1 2.767 0.002 . . . . . A 359 LYS HE3 . 19474 1 367 . 1 1 35 35 LYS CA C 13 60.156 0.047 . . . . . A 359 LYS CA . 19474 1 368 . 1 1 35 35 LYS CB C 13 32.562 0.027 . . . . . A 359 LYS CB . 19474 1 369 . 1 1 35 35 LYS CG C 13 24.389 0.059 . . . . . A 359 LYS CG . 19474 1 370 . 1 1 35 35 LYS CD C 13 29.207 0.034 . . . . . A 359 LYS CD . 19474 1 371 . 1 1 35 35 LYS CE C 13 41.890 0.023 . . . . . A 359 LYS CE . 19474 1 372 . 1 1 35 35 LYS N N 15 127.765 0.018 . . . . . A 359 LYS N . 19474 1 373 . 1 1 36 36 GLU H H 1 8.385 0.001 . . . . . A 360 GLU H . 19474 1 374 . 1 1 36 36 GLU HA H 1 3.934 0.000 . . . . . A 360 GLU HA . 19474 1 375 . 1 1 36 36 GLU HB2 H 1 2.087 0.000 . . . . . A 360 GLU HB2 . 19474 1 376 . 1 1 36 36 GLU HB3 H 1 2.087 0.000 . . . . . A 360 GLU HB3 . 19474 1 377 . 1 1 36 36 GLU HG2 H 1 2.270 0.000 . . . . . A 360 GLU HG2 . 19474 1 378 . 1 1 36 36 GLU HG3 H 1 2.270 0.000 . . . . . A 360 GLU HG3 . 19474 1 379 . 1 1 36 36 GLU CA C 13 59.544 0.019 . . . . . A 360 GLU CA . 19474 1 380 . 1 1 36 36 GLU CB C 13 28.865 0.098 . . . . . A 360 GLU CB . 19474 1 381 . 1 1 36 36 GLU CG C 13 36.489 0.000 . . . . . A 360 GLU CG . 19474 1 382 . 1 1 36 36 GLU N N 15 119.670 0.010 . . . . . A 360 GLU N . 19474 1 383 . 1 1 37 37 SER H H 1 7.496 0.001 . . . . . A 361 SER H . 19474 1 384 . 1 1 37 37 SER HA H 1 4.487 0.000 . . . . . A 361 SER HA . 19474 1 385 . 1 1 37 37 SER HB2 H 1 3.561 0.000 . . . . . A 361 SER HB2 . 19474 1 386 . 1 1 37 37 SER HB3 H 1 3.931 0.000 . . . . . A 361 SER HB3 . 19474 1 387 . 1 1 37 37 SER CA C 13 58.758 0.041 . . . . . A 361 SER CA . 19474 1 388 . 1 1 37 37 SER CB C 13 63.673 0.039 . . . . . A 361 SER CB . 19474 1 389 . 1 1 37 37 SER N N 15 113.358 0.014 . . . . . A 361 SER N . 19474 1 390 . 1 1 38 38 LYS H H 1 7.761 0.002 . . . . . A 362 LYS H . 19474 1 391 . 1 1 38 38 LYS HA H 1 3.908 0.005 . . . . . A 362 LYS HA . 19474 1 392 . 1 1 38 38 LYS HB2 H 1 2.346 0.000 . . . . . A 362 LYS HB2 . 19474 1 393 . 1 1 38 38 LYS HB3 H 1 2.815 0.000 . . . . . A 362 LYS HB3 . 19474 1 394 . 1 1 38 38 LYS HG2 H 1 1.383 0.003 . . . . . A 362 LYS HG2 . 19474 1 395 . 1 1 38 38 LYS HG3 H 1 1.305 0.004 . . . . . A 362 LYS HG3 . 19474 1 396 . 1 1 38 38 LYS HD2 H 1 1.687 0.000 . . . . . A 362 LYS HD2 . 19474 1 397 . 1 1 38 38 LYS HD3 H 1 1.687 0.000 . . . . . A 362 LYS HD3 . 19474 1 398 . 1 1 38 38 LYS HE2 H 1 3.000 0.000 . . . . . A 362 LYS HE2 . 19474 1 399 . 1 1 38 38 LYS HE3 H 1 2.818 0.000 . . . . . A 362 LYS HE3 . 19474 1 400 . 1 1 38 38 LYS CA C 13 57.643 0.031 . . . . . A 362 LYS CA . 19474 1 401 . 1 1 38 38 LYS CB C 13 29.578 0.083 . . . . . A 362 LYS CB . 19474 1 402 . 1 1 38 38 LYS CG C 13 24.683 0.043 . . . . . A 362 LYS CG . 19474 1 403 . 1 1 38 38 LYS N N 15 115.279 0.021 . . . . . A 362 LYS N . 19474 1 404 . 1 1 39 39 ILE H H 1 8.296 0.001 . . . . . A 363 ILE H . 19474 1 405 . 1 1 39 39 ILE HA H 1 5.377 0.006 . . . . . A 363 ILE HA . 19474 1 406 . 1 1 39 39 ILE HB H 1 1.695 0.007 . . . . . A 363 ILE HB . 19474 1 407 . 1 1 39 39 ILE HG12 H 1 0.763 0.001 . . . . . A 363 ILE HG12 . 19474 1 408 . 1 1 39 39 ILE HG13 H 1 0.763 0.001 . . . . . A 363 ILE HG13 . 19474 1 409 . 1 1 39 39 ILE HG21 H 1 0.931 0.004 . . . . . A 363 ILE HG21 . 19474 1 410 . 1 1 39 39 ILE HG22 H 1 0.931 0.004 . . . . . A 363 ILE HG22 . 19474 1 411 . 1 1 39 39 ILE HG23 H 1 0.931 0.004 . . . . . A 363 ILE HG23 . 19474 1 412 . 1 1 39 39 ILE HD11 H 1 0.898 0.000 . . . . . A 363 ILE HD11 . 19474 1 413 . 1 1 39 39 ILE HD12 H 1 0.898 0.000 . . . . . A 363 ILE HD12 . 19474 1 414 . 1 1 39 39 ILE HD13 H 1 0.898 0.000 . . . . . A 363 ILE HD13 . 19474 1 415 . 1 1 39 39 ILE CA C 13 60.421 0.062 . . . . . A 363 ILE CA . 19474 1 416 . 1 1 39 39 ILE CB C 13 40.079 0.048 . . . . . A 363 ILE CB . 19474 1 417 . 1 1 39 39 ILE CG1 C 13 27.965 0.031 . . . . . A 363 ILE CG1 . 19474 1 418 . 1 1 39 39 ILE CG2 C 13 17.889 0.013 . . . . . A 363 ILE CG2 . 19474 1 419 . 1 1 39 39 ILE CD1 C 13 13.730 0.029 . . . . . A 363 ILE CD1 . 19474 1 420 . 1 1 39 39 ILE N N 15 118.435 0.013 . . . . . A 363 ILE N . 19474 1 421 . 1 1 40 40 PHE H H 1 9.989 0.007 . . . . . A 364 PHE H . 19474 1 422 . 1 1 40 40 PHE HA H 1 5.606 0.000 . . . . . A 364 PHE HA . 19474 1 423 . 1 1 40 40 PHE HB2 H 1 2.723 0.000 . . . . . A 364 PHE HB2 . 19474 1 424 . 1 1 40 40 PHE HB3 H 1 2.723 0.000 . . . . . A 364 PHE HB3 . 19474 1 425 . 1 1 40 40 PHE HD1 H 1 6.865 0.000 . . . . . A 364 PHE HD1 . 19474 1 426 . 1 1 40 40 PHE HD2 H 1 6.853 0.006 . . . . . A 364 PHE HD2 . 19474 1 427 . 1 1 40 40 PHE HE1 H 1 6.341 0.000 . . . . . A 364 PHE HE1 . 19474 1 428 . 1 1 40 40 PHE HE2 H 1 6.328 0.012 . . . . . A 364 PHE HE2 . 19474 1 429 . 1 1 40 40 PHE HZ H 1 6.303 0.000 . . . . . A 364 PHE HZ . 19474 1 430 . 1 1 40 40 PHE CA C 13 55.081 0.011 . . . . . A 364 PHE CA . 19474 1 431 . 1 1 40 40 PHE CB C 13 43.894 0.014 . . . . . A 364 PHE CB . 19474 1 432 . 1 1 40 40 PHE CD1 C 13 132.656 0.000 . . . . . A 364 PHE CD1 . 19474 1 433 . 1 1 40 40 PHE CD2 C 13 132.537 0.104 . . . . . A 364 PHE CD2 . 19474 1 434 . 1 1 40 40 PHE CE1 C 13 130.856 0.000 . . . . . A 364 PHE CE1 . 19474 1 435 . 1 1 40 40 PHE CE2 C 13 130.870 0.053 . . . . . A 364 PHE CE2 . 19474 1 436 . 1 1 40 40 PHE CZ C 13 128.560 0.000 . . . . . A 364 PHE CZ . 19474 1 437 . 1 1 40 40 PHE N N 15 128.365 0.015 . . . . . A 364 PHE N . 19474 1 438 . 1 1 41 41 ARG H H 1 9.458 0.003 . . . . . A 365 ARG H . 19474 1 439 . 1 1 41 41 ARG HA H 1 5.501 0.005 . . . . . A 365 ARG HA . 19474 1 440 . 1 1 41 41 ARG HB2 H 1 1.707 0.001 . . . . . A 365 ARG HB2 . 19474 1 441 . 1 1 41 41 ARG HB3 H 1 1.707 0.001 . . . . . A 365 ARG HB3 . 19474 1 442 . 1 1 41 41 ARG HG2 H 1 1.073 0.000 . . . . . A 365 ARG HG2 . 19474 1 443 . 1 1 41 41 ARG HG3 H 1 1.469 0.000 . . . . . A 365 ARG HG3 . 19474 1 444 . 1 1 41 41 ARG HD2 H 1 3.012 0.000 . . . . . A 365 ARG HD2 . 19474 1 445 . 1 1 41 41 ARG HD3 H 1 3.201 0.000 . . . . . A 365 ARG HD3 . 19474 1 446 . 1 1 41 41 ARG CA C 13 53.618 0.049 . . . . . A 365 ARG CA . 19474 1 447 . 1 1 41 41 ARG CB C 13 36.405 0.044 . . . . . A 365 ARG CB . 19474 1 448 . 1 1 41 41 ARG CG C 13 27.585 0.000 . . . . . A 365 ARG CG . 19474 1 449 . 1 1 41 41 ARG CD C 13 43.584 0.000 . . . . . A 365 ARG CD . 19474 1 450 . 1 1 41 41 ARG N N 15 120.939 0.016 . . . . . A 365 ARG N . 19474 1 451 . 1 1 42 42 ILE H H 1 8.683 0.002 . . . . . A 366 ILE H . 19474 1 452 . 1 1 42 42 ILE HA H 1 4.236 0.007 . . . . . A 366 ILE HA . 19474 1 453 . 1 1 42 42 ILE HB H 1 2.149 0.003 . . . . . A 366 ILE HB . 19474 1 454 . 1 1 42 42 ILE HG12 H 1 1.994 0.001 . . . . . A 366 ILE HG12 . 19474 1 455 . 1 1 42 42 ILE HG13 H 1 1.994 0.001 . . . . . A 366 ILE HG13 . 19474 1 456 . 1 1 42 42 ILE HG21 H 1 0.821 0.004 . . . . . A 366 ILE HG21 . 19474 1 457 . 1 1 42 42 ILE HG22 H 1 0.821 0.004 . . . . . A 366 ILE HG22 . 19474 1 458 . 1 1 42 42 ILE HG23 H 1 0.821 0.004 . . . . . A 366 ILE HG23 . 19474 1 459 . 1 1 42 42 ILE HD11 H 1 0.896 0.002 . . . . . A 366 ILE HD11 . 19474 1 460 . 1 1 42 42 ILE HD12 H 1 0.896 0.002 . . . . . A 366 ILE HD12 . 19474 1 461 . 1 1 42 42 ILE HD13 H 1 0.896 0.002 . . . . . A 366 ILE HD13 . 19474 1 462 . 1 1 42 42 ILE CA C 13 62.946 0.026 . . . . . A 366 ILE CA . 19474 1 463 . 1 1 42 42 ILE CB C 13 37.619 0.038 . . . . . A 366 ILE CB . 19474 1 464 . 1 1 42 42 ILE CG1 C 13 27.780 0.038 . . . . . A 366 ILE CG1 . 19474 1 465 . 1 1 42 42 ILE CG2 C 13 17.203 0.028 . . . . . A 366 ILE CG2 . 19474 1 466 . 1 1 42 42 ILE CD1 C 13 13.333 0.027 . . . . . A 366 ILE CD1 . 19474 1 467 . 1 1 42 42 ILE N N 15 125.518 0.016 . . . . . A 366 ILE N . 19474 1 468 . 1 1 43 43 VAL H H 1 7.868 0.004 . . . . . A 367 VAL H . 19474 1 469 . 1 1 43 43 VAL HA H 1 3.684 0.001 . . . . . A 367 VAL HA . 19474 1 470 . 1 1 43 43 VAL HB H 1 1.548 0.002 . . . . . A 367 VAL HB . 19474 1 471 . 1 1 43 43 VAL HG11 H 1 0.875 0.001 . . . . . A 367 VAL HG11 . 19474 1 472 . 1 1 43 43 VAL HG12 H 1 0.875 0.001 . . . . . A 367 VAL HG12 . 19474 1 473 . 1 1 43 43 VAL HG13 H 1 0.875 0.001 . . . . . A 367 VAL HG13 . 19474 1 474 . 1 1 43 43 VAL HG21 H 1 0.802 0.001 . . . . . A 367 VAL HG21 . 19474 1 475 . 1 1 43 43 VAL HG22 H 1 0.802 0.001 . . . . . A 367 VAL HG22 . 19474 1 476 . 1 1 43 43 VAL HG23 H 1 0.802 0.001 . . . . . A 367 VAL HG23 . 19474 1 477 . 1 1 43 43 VAL CA C 13 64.127 0.030 . . . . . A 367 VAL CA . 19474 1 478 . 1 1 43 43 VAL CB C 13 32.702 0.031 . . . . . A 367 VAL CB . 19474 1 479 . 1 1 43 43 VAL CG1 C 13 21.770 0.001 . . . . . A 367 VAL CG1 . 19474 1 480 . 1 1 43 43 VAL CG2 C 13 21.128 0.019 . . . . . A 367 VAL CG2 . 19474 1 481 . 1 1 43 43 VAL N N 15 129.389 0.058 . . . . . A 367 VAL N . 19474 1 482 . 1 1 44 44 ASP H H 1 7.348 0.004 . . . . . A 368 ASP H . 19474 1 483 . 1 1 44 44 ASP HA H 1 5.241 0.007 . . . . . A 368 ASP HA . 19474 1 484 . 1 1 44 44 ASP HB2 H 1 2.668 0.002 . . . . . A 368 ASP HB2 . 19474 1 485 . 1 1 44 44 ASP HB3 H 1 3.161 0.008 . . . . . A 368 ASP HB3 . 19474 1 486 . 1 1 44 44 ASP CA C 13 50.192 0.109 . . . . . A 368 ASP CA . 19474 1 487 . 1 1 44 44 ASP CB C 13 41.851 0.115 . . . . . A 368 ASP CB . 19474 1 488 . 1 1 44 44 ASP N N 15 114.973 0.057 . . . . . A 368 ASP N . 19474 1 489 . 1 1 45 45 PRO HA H 1 3.837 0.000 . . . . . A 369 PRO HA . 19474 1 490 . 1 1 45 45 PRO HB2 H 1 1.179 0.000 . . . . . A 369 PRO HB2 . 19474 1 491 . 1 1 45 45 PRO HB3 H 1 1.310 0.000 . . . . . A 369 PRO HB3 . 19474 1 492 . 1 1 45 45 PRO HG2 H 1 1.680 0.000 . . . . . A 369 PRO HG2 . 19474 1 493 . 1 1 45 45 PRO HG3 H 1 1.680 0.000 . . . . . A 369 PRO HG3 . 19474 1 494 . 1 1 45 45 PRO HD2 H 1 1.961 0.000 . . . . . A 369 PRO HD2 . 19474 1 495 . 1 1 45 45 PRO HD3 H 1 1.961 0.000 . . . . . A 369 PRO HD3 . 19474 1 496 . 1 1 45 45 PRO CA C 13 65.507 0.046 . . . . . A 369 PRO CA . 19474 1 497 . 1 1 45 45 PRO CB C 13 30.928 0.039 . . . . . A 369 PRO CB . 19474 1 498 . 1 1 45 45 PRO CG C 13 27.073 0.000 . . . . . A 369 PRO CG . 19474 1 499 . 1 1 45 45 PRO CD C 13 50.276 0.000 . . . . . A 369 PRO CD . 19474 1 500 . 1 1 46 46 ASN H H 1 8.171 0.003 . . . . . A 370 ASN H . 19474 1 501 . 1 1 46 46 ASN HA H 1 4.595 0.000 . . . . . A 370 ASN HA . 19474 1 502 . 1 1 46 46 ASN HB2 H 1 2.976 0.000 . . . . . A 370 ASN HB2 . 19474 1 503 . 1 1 46 46 ASN HB3 H 1 2.862 0.000 . . . . . A 370 ASN HB3 . 19474 1 504 . 1 1 46 46 ASN CA C 13 56.285 0.127 . . . . . A 370 ASN CA . 19474 1 505 . 1 1 46 46 ASN CB C 13 37.764 0.008 . . . . . A 370 ASN CB . 19474 1 506 . 1 1 46 46 ASN N N 15 115.537 0.012 . . . . . A 370 ASN N . 19474 1 507 . 1 1 47 47 GLY H H 1 8.658 0.001 . . . . . A 371 GLY H . 19474 1 508 . 1 1 47 47 GLY HA2 H 1 3.977 0.000 . . . . . A 371 GLY HA2 . 19474 1 509 . 1 1 47 47 GLY HA3 H 1 3.977 0.000 . . . . . A 371 GLY HA3 . 19474 1 510 . 1 1 47 47 GLY CA C 13 47.822 0.039 . . . . . A 371 GLY CA . 19474 1 511 . 1 1 47 47 GLY N N 15 111.639 0.003 . . . . . A 371 GLY N . 19474 1 512 . 1 1 48 48 LEU H H 1 8.917 0.002 . . . . . A 372 LEU H . 19474 1 513 . 1 1 48 48 LEU HA H 1 4.055 0.008 . . . . . A 372 LEU HA . 19474 1 514 . 1 1 48 48 LEU HB2 H 1 1.551 0.007 . . . . . A 372 LEU HB2 . 19474 1 515 . 1 1 48 48 LEU HB3 H 1 2.109 0.000 . . . . . A 372 LEU HB3 . 19474 1 516 . 1 1 48 48 LEU HG H 1 1.569 0.000 . . . . . A 372 LEU HG . 19474 1 517 . 1 1 48 48 LEU HD11 H 1 0.943 0.003 . . . . . A 372 LEU HD11 . 19474 1 518 . 1 1 48 48 LEU HD12 H 1 0.943 0.003 . . . . . A 372 LEU HD12 . 19474 1 519 . 1 1 48 48 LEU HD13 H 1 0.943 0.003 . . . . . A 372 LEU HD13 . 19474 1 520 . 1 1 48 48 LEU HD21 H 1 0.840 0.002 . . . . . A 372 LEU HD21 . 19474 1 521 . 1 1 48 48 LEU HD22 H 1 0.840 0.002 . . . . . A 372 LEU HD22 . 19474 1 522 . 1 1 48 48 LEU HD23 H 1 0.840 0.002 . . . . . A 372 LEU HD23 . 19474 1 523 . 1 1 48 48 LEU CA C 13 57.877 0.055 . . . . . A 372 LEU CA . 19474 1 524 . 1 1 48 48 LEU CB C 13 41.994 0.027 . . . . . A 372 LEU CB . 19474 1 525 . 1 1 48 48 LEU CG C 13 27.736 0.000 . . . . . A 372 LEU CG . 19474 1 526 . 1 1 48 48 LEU CD1 C 13 27.808 0.000 . . . . . A 372 LEU CD1 . 19474 1 527 . 1 1 48 48 LEU CD2 C 13 23.955 0.031 . . . . . A 372 LEU CD2 . 19474 1 528 . 1 1 48 48 LEU N N 15 123.095 0.013 . . . . . A 372 LEU N . 19474 1 529 . 1 1 49 49 ALA H H 1 8.064 0.003 . . . . . A 373 ALA H . 19474 1 530 . 1 1 49 49 ALA HA H 1 4.487 0.000 . . . . . A 373 ALA HA . 19474 1 531 . 1 1 49 49 ALA HB1 H 1 1.461 0.000 . . . . . A 373 ALA HB1 . 19474 1 532 . 1 1 49 49 ALA HB2 H 1 1.461 0.000 . . . . . A 373 ALA HB2 . 19474 1 533 . 1 1 49 49 ALA HB3 H 1 1.461 0.000 . . . . . A 373 ALA HB3 . 19474 1 534 . 1 1 49 49 ALA CA C 13 55.373 0.008 . . . . . A 373 ALA CA . 19474 1 535 . 1 1 49 49 ALA CB C 13 17.968 0.012 . . . . . A 373 ALA CB . 19474 1 536 . 1 1 49 49 ALA N N 15 120.002 0.017 . . . . . A 373 ALA N . 19474 1 537 . 1 1 50 50 ARG H H 1 7.743 0.003 . . . . . A 374 ARG H . 19474 1 538 . 1 1 50 50 ARG HA H 1 4.130 0.002 . . . . . A 374 ARG HA . 19474 1 539 . 1 1 50 50 ARG HB2 H 1 2.019 0.000 . . . . . A 374 ARG HB2 . 19474 1 540 . 1 1 50 50 ARG HB3 H 1 2.094 0.000 . . . . . A 374 ARG HB3 . 19474 1 541 . 1 1 50 50 ARG HG2 H 1 1.629 0.002 . . . . . A 374 ARG HG2 . 19474 1 542 . 1 1 50 50 ARG HG3 H 1 1.843 0.001 . . . . . A 374 ARG HG3 . 19474 1 543 . 1 1 50 50 ARG HD2 H 1 3.320 0.005 . . . . . A 374 ARG HD2 . 19474 1 544 . 1 1 50 50 ARG HD3 H 1 3.320 0.005 . . . . . A 374 ARG HD3 . 19474 1 545 . 1 1 50 50 ARG CA C 13 59.360 0.075 . . . . . A 374 ARG CA . 19474 1 546 . 1 1 50 50 ARG CB C 13 29.867 0.026 . . . . . A 374 ARG CB . 19474 1 547 . 1 1 50 50 ARG CG C 13 27.545 0.000 . . . . . A 374 ARG CG . 19474 1 548 . 1 1 50 50 ARG CD C 13 43.454 0.000 . . . . . A 374 ARG CD . 19474 1 549 . 1 1 50 50 ARG N N 15 118.150 0.029 . . . . . A 374 ARG N . 19474 1 550 . 1 1 51 51 LEU H H 1 7.913 0.002 . . . . . A 375 LEU H . 19474 1 551 . 1 1 51 51 LEU HA H 1 4.021 0.005 . . . . . A 375 LEU HA . 19474 1 552 . 1 1 51 51 LEU HB2 H 1 1.951 0.004 . . . . . A 375 LEU HB2 . 19474 1 553 . 1 1 51 51 LEU HB3 H 1 1.951 0.004 . . . . . A 375 LEU HB3 . 19474 1 554 . 1 1 51 51 LEU HG H 1 1.565 0.005 . . . . . A 375 LEU HG . 19474 1 555 . 1 1 51 51 LEU HD11 H 1 0.225 0.001 . . . . . A 375 LEU HD11 . 19474 1 556 . 1 1 51 51 LEU HD12 H 1 0.225 0.001 . . . . . A 375 LEU HD12 . 19474 1 557 . 1 1 51 51 LEU HD13 H 1 0.225 0.001 . . . . . A 375 LEU HD13 . 19474 1 558 . 1 1 51 51 LEU HD21 H 1 0.667 0.001 . . . . . A 375 LEU HD21 . 19474 1 559 . 1 1 51 51 LEU HD22 H 1 0.667 0.001 . . . . . A 375 LEU HD22 . 19474 1 560 . 1 1 51 51 LEU HD23 H 1 0.667 0.001 . . . . . A 375 LEU HD23 . 19474 1 561 . 1 1 51 51 LEU CA C 13 58.483 0.058 . . . . . A 375 LEU CA . 19474 1 562 . 1 1 51 51 LEU CB C 13 41.331 0.021 . . . . . A 375 LEU CB . 19474 1 563 . 1 1 51 51 LEU CG C 13 26.440 0.000 . . . . . A 375 LEU CG . 19474 1 564 . 1 1 51 51 LEU CD1 C 13 24.762 0.106 . . . . . A 375 LEU CD1 . 19474 1 565 . 1 1 51 51 LEU CD2 C 13 22.846 0.107 . . . . . A 375 LEU CD2 . 19474 1 566 . 1 1 51 51 LEU N N 15 121.647 0.032 . . . . . A 375 LEU N . 19474 1 567 . 1 1 52 52 TRP H H 1 8.578 0.001 . . . . . A 376 TRP H . 19474 1 568 . 1 1 52 52 TRP HA H 1 4.385 0.000 . . . . . A 376 TRP HA . 19474 1 569 . 1 1 52 52 TRP HB2 H 1 3.313 0.000 . . . . . A 376 TRP HB2 . 19474 1 570 . 1 1 52 52 TRP HB3 H 1 3.066 0.000 . . . . . A 376 TRP HB3 . 19474 1 571 . 1 1 52 52 TRP HD1 H 1 7.018 0.006 . . . . . A 376 TRP HD1 . 19474 1 572 . 1 1 52 52 TRP HE1 H 1 10.481 0.001 . . . . . A 376 TRP HE1 . 19474 1 573 . 1 1 52 52 TRP HE3 H 1 6.736 0.000 . . . . . A 376 TRP HE3 . 19474 1 574 . 1 1 52 52 TRP HZ2 H 1 7.415 0.004 . . . . . A 376 TRP HZ2 . 19474 1 575 . 1 1 52 52 TRP HZ3 H 1 6.514 0.009 . . . . . A 376 TRP HZ3 . 19474 1 576 . 1 1 52 52 TRP HH2 H 1 7.019 0.004 . . . . . A 376 TRP HH2 . 19474 1 577 . 1 1 52 52 TRP CA C 13 58.924 0.046 . . . . . A 376 TRP CA . 19474 1 578 . 1 1 52 52 TRP CB C 13 30.389 0.024 . . . . . A 376 TRP CB . 19474 1 579 . 1 1 52 52 TRP CD1 C 13 126.077 0.000 . . . . . A 376 TRP CD1 . 19474 1 580 . 1 1 52 52 TRP CZ2 C 13 114.329 0.074 . . . . . A 376 TRP CZ2 . 19474 1 581 . 1 1 52 52 TRP CZ3 C 13 121.137 0.027 . . . . . A 376 TRP CZ3 . 19474 1 582 . 1 1 52 52 TRP CH2 C 13 124.029 0.000 . . . . . A 376 TRP CH2 . 19474 1 583 . 1 1 52 52 TRP N N 15 121.408 0.013 . . . . . A 376 TRP N . 19474 1 584 . 1 1 52 52 TRP NE1 N 15 127.756 0.007 . . . . . A 376 TRP NE1 . 19474 1 585 . 1 1 53 53 GLY H H 1 8.879 0.003 . . . . . A 377 GLY H . 19474 1 586 . 1 1 53 53 GLY HA2 H 1 3.222 0.006 . . . . . A 377 GLY HA2 . 19474 1 587 . 1 1 53 53 GLY HA3 H 1 3.917 0.004 . . . . . A 377 GLY HA3 . 19474 1 588 . 1 1 53 53 GLY CA C 13 47.861 0.027 . . . . . A 377 GLY CA . 19474 1 589 . 1 1 53 53 GLY N N 15 105.619 0.012 . . . . . A 377 GLY N . 19474 1 590 . 1 1 54 54 ASN H H 1 8.207 0.002 . . . . . A 378 ASN H . 19474 1 591 . 1 1 54 54 ASN HA H 1 4.413 0.000 . . . . . A 378 ASN HA . 19474 1 592 . 1 1 54 54 ASN HB2 H 1 2.839 0.000 . . . . . A 378 ASN HB2 . 19474 1 593 . 1 1 54 54 ASN HB3 H 1 2.916 0.000 . . . . . A 378 ASN HB3 . 19474 1 594 . 1 1 54 54 ASN HD21 H 1 7.665 0.000 . . . . . A 378 ASN HD21 . 19474 1 595 . 1 1 54 54 ASN HD22 H 1 6.897 0.000 . . . . . A 378 ASN HD22 . 19474 1 596 . 1 1 54 54 ASN CA C 13 55.959 0.106 . . . . . A 378 ASN CA . 19474 1 597 . 1 1 54 54 ASN CB C 13 38.184 0.015 . . . . . A 378 ASN CB . 19474 1 598 . 1 1 54 54 ASN N N 15 119.908 0.022 . . . . . A 378 ASN N . 19474 1 599 . 1 1 54 54 ASN ND2 N 15 111.730 0.000 . . . . . A 378 ASN ND2 . 19474 1 600 . 1 1 55 55 HIS H H 1 8.217 0.002 . . . . . A 379 HIS H . 19474 1 601 . 1 1 55 55 HIS HA H 1 4.161 0.000 . . . . . A 379 HIS HA . 19474 1 602 . 1 1 55 55 HIS HB2 H 1 2.877 0.000 . . . . . A 379 HIS HB2 . 19474 1 603 . 1 1 55 55 HIS HB3 H 1 2.877 0.000 . . . . . A 379 HIS HB3 . 19474 1 604 . 1 1 55 55 HIS HD2 H 1 6.346 0.000 . . . . . A 379 HIS HD2 . 19474 1 605 . 1 1 55 55 HIS CA C 13 59.228 0.007 . . . . . A 379 HIS CA . 19474 1 606 . 1 1 55 55 HIS CB C 13 30.211 0.000 . . . . . A 379 HIS CB . 19474 1 607 . 1 1 55 55 HIS CD2 C 13 119.927 0.000 . . . . . A 379 HIS CD2 . 19474 1 608 . 1 1 55 55 HIS N N 15 121.917 0.021 . . . . . A 379 HIS N . 19474 1 609 . 1 1 56 56 LYS H H 1 7.616 0.007 . . . . . A 380 LYS H . 19474 1 610 . 1 1 56 56 LYS HA H 1 3.764 0.006 . . . . . A 380 LYS HA . 19474 1 611 . 1 1 56 56 LYS HB2 H 1 1.280 0.003 . . . . . A 380 LYS HB2 . 19474 1 612 . 1 1 56 56 LYS HB3 H 1 0.735 0.010 . . . . . A 380 LYS HB3 . 19474 1 613 . 1 1 56 56 LYS HG2 H 1 0.436 0.004 . . . . . A 380 LYS HG2 . 19474 1 614 . 1 1 56 56 LYS HG3 H 1 0.236 0.007 . . . . . A 380 LYS HG3 . 19474 1 615 . 1 1 56 56 LYS HD2 H 1 1.093 0.002 . . . . . A 380 LYS HD2 . 19474 1 616 . 1 1 56 56 LYS HD3 H 1 1.093 0.002 . . . . . A 380 LYS HD3 . 19474 1 617 . 1 1 56 56 LYS HE2 H 1 2.749 0.004 . . . . . A 380 LYS HE2 . 19474 1 618 . 1 1 56 56 LYS HE3 H 1 2.665 0.001 . . . . . A 380 LYS HE3 . 19474 1 619 . 1 1 56 56 LYS CA C 13 53.883 0.064 . . . . . A 380 LYS CA . 19474 1 620 . 1 1 56 56 LYS CB C 13 30.654 0.029 . . . . . A 380 LYS CB . 19474 1 621 . 1 1 56 56 LYS CG C 13 22.557 0.094 . . . . . A 380 LYS CG . 19474 1 622 . 1 1 56 56 LYS N N 15 115.282 0.014 . . . . . A 380 LYS N . 19474 1 623 . 1 1 57 57 ASN H H 1 7.751 0.007 . . . . . A 381 ASN H . 19474 1 624 . 1 1 57 57 ASN HA H 1 4.283 0.000 . . . . . A 381 ASN HA . 19474 1 625 . 1 1 57 57 ASN HB2 H 1 3.002 0.000 . . . . . A 381 ASN HB2 . 19474 1 626 . 1 1 57 57 ASN HB3 H 1 2.632 0.000 . . . . . A 381 ASN HB3 . 19474 1 627 . 1 1 57 57 ASN HD21 H 1 7.418 0.000 . . . . . A 381 ASN HD21 . 19474 1 628 . 1 1 57 57 ASN HD22 H 1 6.727 0.000 . . . . . A 381 ASN HD22 . 19474 1 629 . 1 1 57 57 ASN CA C 13 54.166 0.055 . . . . . A 381 ASN CA . 19474 1 630 . 1 1 57 57 ASN CB C 13 37.232 0.054 . . . . . A 381 ASN CB . 19474 1 631 . 1 1 57 57 ASN N N 15 116.851 0.032 . . . . . A 381 ASN N . 19474 1 632 . 1 1 57 57 ASN ND2 N 15 111.898 0.009 . . . . . A 381 ASN ND2 . 19474 1 633 . 1 1 58 58 ARG H H 1 8.497 0.003 . . . . . A 382 ARG H . 19474 1 634 . 1 1 58 58 ARG HA H 1 4.589 0.005 . . . . . A 382 ARG HA . 19474 1 635 . 1 1 58 58 ARG HB2 H 1 1.770 0.007 . . . . . A 382 ARG HB2 . 19474 1 636 . 1 1 58 58 ARG HB3 H 1 1.770 0.007 . . . . . A 382 ARG HB3 . 19474 1 637 . 1 1 58 58 ARG HG2 H 1 1.425 0.000 . . . . . A 382 ARG HG2 . 19474 1 638 . 1 1 58 58 ARG HG3 H 1 1.425 0.000 . . . . . A 382 ARG HG3 . 19474 1 639 . 1 1 58 58 ARG HD2 H 1 3.111 0.000 . . . . . A 382 ARG HD2 . 19474 1 640 . 1 1 58 58 ARG HD3 H 1 3.111 0.000 . . . . . A 382 ARG HD3 . 19474 1 641 . 1 1 58 58 ARG CA C 13 55.444 0.000 . . . . . A 382 ARG CA . 19474 1 642 . 1 1 58 58 ARG CB C 13 31.659 0.091 . . . . . A 382 ARG CB . 19474 1 643 . 1 1 58 58 ARG N N 15 117.725 0.021 . . . . . A 382 ARG N . 19474 1 644 . 1 1 59 59 THR H H 1 8.290 0.010 . . . . . A 383 THR H . 19474 1 645 . 1 1 59 59 THR HA H 1 4.222 0.005 . . . . . A 383 THR HA . 19474 1 646 . 1 1 59 59 THR HB H 1 4.215 0.002 . . . . . A 383 THR HB . 19474 1 647 . 1 1 59 59 THR HG21 H 1 1.163 0.001 . . . . . A 383 THR HG21 . 19474 1 648 . 1 1 59 59 THR HG22 H 1 1.163 0.001 . . . . . A 383 THR HG22 . 19474 1 649 . 1 1 59 59 THR HG23 H 1 1.163 0.001 . . . . . A 383 THR HG23 . 19474 1 650 . 1 1 59 59 THR CA C 13 62.295 0.044 . . . . . A 383 THR CA . 19474 1 651 . 1 1 59 59 THR CB C 13 69.788 0.052 . . . . . A 383 THR CB . 19474 1 652 . 1 1 59 59 THR CG2 C 13 21.572 0.004 . . . . . A 383 THR CG2 . 19474 1 653 . 1 1 59 59 THR N N 15 114.270 0.057 . . . . . A 383 THR N . 19474 1 654 . 1 1 60 60 ASN H H 1 8.516 0.002 . . . . . A 384 ASN H . 19474 1 655 . 1 1 60 60 ASN HA H 1 4.582 0.000 . . . . . A 384 ASN HA . 19474 1 656 . 1 1 60 60 ASN HB2 H 1 2.859 0.000 . . . . . A 384 ASN HB2 . 19474 1 657 . 1 1 60 60 ASN HB3 H 1 2.859 0.000 . . . . . A 384 ASN HB3 . 19474 1 658 . 1 1 60 60 ASN HD21 H 1 7.611 0.000 . . . . . A 384 ASN HD21 . 19474 1 659 . 1 1 60 60 ASN HD22 H 1 6.917 0.000 . . . . . A 384 ASN HD22 . 19474 1 660 . 1 1 60 60 ASN CA C 13 53.192 0.080 . . . . . A 384 ASN CA . 19474 1 661 . 1 1 60 60 ASN CB C 13 37.579 0.079 . . . . . A 384 ASN CB . 19474 1 662 . 1 1 60 60 ASN N N 15 119.081 0.017 . . . . . A 384 ASN N . 19474 1 663 . 1 1 60 60 ASN ND2 N 15 112.424 0.002 . . . . . A 384 ASN ND2 . 19474 1 664 . 1 1 61 61 MET H H 1 8.131 0.003 . . . . . A 385 MET H . 19474 1 665 . 1 1 61 61 MET HA H 1 4.595 0.007 . . . . . A 385 MET HA . 19474 1 666 . 1 1 61 61 MET HB2 H 1 2.114 0.000 . . . . . A 385 MET HB2 . 19474 1 667 . 1 1 61 61 MET HB3 H 1 1.844 0.000 . . . . . A 385 MET HB3 . 19474 1 668 . 1 1 61 61 MET HG2 H 1 2.392 0.000 . . . . . A 385 MET HG2 . 19474 1 669 . 1 1 61 61 MET HG3 H 1 2.799 0.001 . . . . . A 385 MET HG3 . 19474 1 670 . 1 1 61 61 MET HE1 H 1 1.889 0.005 . . . . . A 385 MET HE1 . 19474 1 671 . 1 1 61 61 MET HE2 H 1 1.889 0.005 . . . . . A 385 MET HE2 . 19474 1 672 . 1 1 61 61 MET HE3 H 1 1.889 0.005 . . . . . A 385 MET HE3 . 19474 1 673 . 1 1 61 61 MET CA C 13 55.083 0.027 . . . . . A 385 MET CA . 19474 1 674 . 1 1 61 61 MET CB C 13 30.817 0.024 . . . . . A 385 MET CB . 19474 1 675 . 1 1 61 61 MET CG C 13 32.178 0.011 . . . . . A 385 MET CG . 19474 1 676 . 1 1 61 61 MET CE C 13 15.347 0.015 . . . . . A 385 MET CE . 19474 1 677 . 1 1 61 61 MET N N 15 119.786 0.006 . . . . . A 385 MET N . 19474 1 678 . 1 1 62 62 THR H H 1 7.140 0.003 . . . . . A 386 THR H . 19474 1 679 . 1 1 62 62 THR HA H 1 4.751 0.003 . . . . . A 386 THR HA . 19474 1 680 . 1 1 62 62 THR HG21 H 1 1.288 0.004 . . . . . A 386 THR HG21 . 19474 1 681 . 1 1 62 62 THR HG22 H 1 1.288 0.004 . . . . . A 386 THR HG22 . 19474 1 682 . 1 1 62 62 THR HG23 H 1 1.288 0.004 . . . . . A 386 THR HG23 . 19474 1 683 . 1 1 62 62 THR CA C 13 58.998 0.030 . . . . . A 386 THR CA . 19474 1 684 . 1 1 62 62 THR CB C 13 72.307 0.003 . . . . . A 386 THR CB . 19474 1 685 . 1 1 62 62 THR CG2 C 13 21.859 0.005 . . . . . A 386 THR CG2 . 19474 1 686 . 1 1 62 62 THR N N 15 113.835 0.027 . . . . . A 386 THR N . 19474 1 687 . 1 1 63 63 TYR H H 1 9.762 0.004 . . . . . A 387 TYR H . 19474 1 688 . 1 1 63 63 TYR HA H 1 4.127 0.000 . . . . . A 387 TYR HA . 19474 1 689 . 1 1 63 63 TYR HB2 H 1 2.907 0.000 . . . . . A 387 TYR HB2 . 19474 1 690 . 1 1 63 63 TYR HB3 H 1 3.037 0.000 . . . . . A 387 TYR HB3 . 19474 1 691 . 1 1 63 63 TYR HD1 H 1 7.084 0.000 . . . . . A 387 TYR HD1 . 19474 1 692 . 1 1 63 63 TYR HD2 H 1 7.077 0.006 . . . . . A 387 TYR HD2 . 19474 1 693 . 1 1 63 63 TYR HE1 H 1 6.691 0.000 . . . . . A 387 TYR HE1 . 19474 1 694 . 1 1 63 63 TYR HE2 H 1 6.692 0.004 . . . . . A 387 TYR HE2 . 19474 1 695 . 1 1 63 63 TYR CA C 13 62.608 0.059 . . . . . A 387 TYR CA . 19474 1 696 . 1 1 63 63 TYR CB C 13 37.133 0.025 . . . . . A 387 TYR CB . 19474 1 697 . 1 1 63 63 TYR CD1 C 13 133.319 0.000 . . . . . A 387 TYR CD1 . 19474 1 698 . 1 1 63 63 TYR CD2 C 13 133.376 0.049 . . . . . A 387 TYR CD2 . 19474 1 699 . 1 1 63 63 TYR CE1 C 13 117.474 0.000 . . . . . A 387 TYR CE1 . 19474 1 700 . 1 1 63 63 TYR CE2 C 13 117.462 0.038 . . . . . A 387 TYR CE2 . 19474 1 701 . 1 1 63 63 TYR N N 15 123.576 0.049 . . . . . A 387 TYR N . 19474 1 702 . 1 1 64 64 GLU H H 1 8.902 0.002 . . . . . A 388 GLU H . 19474 1 703 . 1 1 64 64 GLU HA H 1 3.828 0.000 . . . . . A 388 GLU HA . 19474 1 704 . 1 1 64 64 GLU HB2 H 1 2.138 0.005 . . . . . A 388 GLU HB2 . 19474 1 705 . 1 1 64 64 GLU HB3 H 1 1.961 0.003 . . . . . A 388 GLU HB3 . 19474 1 706 . 1 1 64 64 GLU HG2 H 1 2.321 0.003 . . . . . A 388 GLU HG2 . 19474 1 707 . 1 1 64 64 GLU HG3 H 1 2.321 0.003 . . . . . A 388 GLU HG3 . 19474 1 708 . 1 1 64 64 GLU CA C 13 60.433 0.041 . . . . . A 388 GLU CA . 19474 1 709 . 1 1 64 64 GLU CB C 13 28.845 0.072 . . . . . A 388 GLU CB . 19474 1 710 . 1 1 64 64 GLU CG C 13 36.311 0.000 . . . . . A 388 GLU CG . 19474 1 711 . 1 1 64 64 GLU N N 15 121.159 0.012 . . . . . A 388 GLU N . 19474 1 712 . 1 1 65 65 LYS H H 1 7.638 0.001 . . . . . A 389 LYS H . 19474 1 713 . 1 1 65 65 LYS HA H 1 3.973 0.004 . . . . . A 389 LYS HA . 19474 1 714 . 1 1 65 65 LYS HB2 H 1 2.020 0.001 . . . . . A 389 LYS HB2 . 19474 1 715 . 1 1 65 65 LYS HB3 H 1 2.020 0.001 . . . . . A 389 LYS HB3 . 19474 1 716 . 1 1 65 65 LYS HG2 H 1 1.490 0.000 . . . . . A 389 LYS HG2 . 19474 1 717 . 1 1 65 65 LYS HG3 H 1 1.578 0.000 . . . . . A 389 LYS HG3 . 19474 1 718 . 1 1 65 65 LYS HD2 H 1 1.840 0.000 . . . . . A 389 LYS HD2 . 19474 1 719 . 1 1 65 65 LYS HD3 H 1 1.840 0.000 . . . . . A 389 LYS HD3 . 19474 1 720 . 1 1 65 65 LYS HE2 H 1 3.053 0.004 . . . . . A 389 LYS HE2 . 19474 1 721 . 1 1 65 65 LYS HE3 H 1 3.053 0.004 . . . . . A 389 LYS HE3 . 19474 1 722 . 1 1 65 65 LYS CA C 13 59.921 0.067 . . . . . A 389 LYS CA . 19474 1 723 . 1 1 65 65 LYS CB C 13 33.160 0.037 . . . . . A 389 LYS CB . 19474 1 724 . 1 1 65 65 LYS CG C 13 25.952 0.000 . . . . . A 389 LYS CG . 19474 1 725 . 1 1 65 65 LYS CE C 13 42.057 0.000 . . . . . A 389 LYS CE . 19474 1 726 . 1 1 65 65 LYS N N 15 119.238 0.005 . . . . . A 389 LYS N . 19474 1 727 . 1 1 66 66 MET H H 1 8.251 0.004 . . . . . A 390 MET H . 19474 1 728 . 1 1 66 66 MET HA H 1 3.931 0.000 . . . . . A 390 MET HA . 19474 1 729 . 1 1 66 66 MET HB2 H 1 2.048 0.000 . . . . . A 390 MET HB2 . 19474 1 730 . 1 1 66 66 MET HB3 H 1 2.048 0.000 . . . . . A 390 MET HB3 . 19474 1 731 . 1 1 66 66 MET HG2 H 1 2.187 0.000 . . . . . A 390 MET HG2 . 19474 1 732 . 1 1 66 66 MET HG3 H 1 2.187 0.000 . . . . . A 390 MET HG3 . 19474 1 733 . 1 1 66 66 MET HE1 H 1 1.704 0.000 . . . . . A 390 MET HE1 . 19474 1 734 . 1 1 66 66 MET HE2 H 1 1.704 0.000 . . . . . A 390 MET HE2 . 19474 1 735 . 1 1 66 66 MET HE3 H 1 1.704 0.000 . . . . . A 390 MET HE3 . 19474 1 736 . 1 1 66 66 MET CA C 13 59.490 0.017 . . . . . A 390 MET CA . 19474 1 737 . 1 1 66 66 MET CB C 13 33.173 0.082 . . . . . A 390 MET CB . 19474 1 738 . 1 1 66 66 MET CG C 13 32.662 0.000 . . . . . A 390 MET CG . 19474 1 739 . 1 1 66 66 MET CE C 13 17.351 0.000 . . . . . A 390 MET CE . 19474 1 740 . 1 1 66 66 MET N N 15 122.352 0.041 . . . . . A 390 MET N . 19474 1 741 . 1 1 67 67 SER H H 1 8.835 0.006 . . . . . A 391 SER H . 19474 1 742 . 1 1 67 67 SER HA H 1 3.774 0.003 . . . . . A 391 SER HA . 19474 1 743 . 1 1 67 67 SER HB2 H 1 3.527 0.004 . . . . . A 391 SER HB2 . 19474 1 744 . 1 1 67 67 SER HB3 H 1 3.527 0.004 . . . . . A 391 SER HB3 . 19474 1 745 . 1 1 67 67 SER CA C 13 61.565 0.065 . . . . . A 391 SER CA . 19474 1 746 . 1 1 67 67 SER CB C 13 62.221 0.005 . . . . . A 391 SER CB . 19474 1 747 . 1 1 67 67 SER N N 15 114.418 0.010 . . . . . A 391 SER N . 19474 1 748 . 1 1 68 68 ARG H H 1 7.438 0.001 . . . . . A 392 ARG H . 19474 1 749 . 1 1 68 68 ARG HA H 1 3.949 0.007 . . . . . A 392 ARG HA . 19474 1 750 . 1 1 68 68 ARG HB2 H 1 1.906 0.000 . . . . . A 392 ARG HB2 . 19474 1 751 . 1 1 68 68 ARG HB3 H 1 1.906 0.000 . . . . . A 392 ARG HB3 . 19474 1 752 . 1 1 68 68 ARG HG2 H 1 1.810 0.013 . . . . . A 392 ARG HG2 . 19474 1 753 . 1 1 68 68 ARG HG3 H 1 1.621 0.002 . . . . . A 392 ARG HG3 . 19474 1 754 . 1 1 68 68 ARG HD2 H 1 3.211 0.007 . . . . . A 392 ARG HD2 . 19474 1 755 . 1 1 68 68 ARG HD3 H 1 3.211 0.007 . . . . . A 392 ARG HD3 . 19474 1 756 . 1 1 68 68 ARG CA C 13 59.501 0.029 . . . . . A 392 ARG CA . 19474 1 757 . 1 1 68 68 ARG CB C 13 29.881 0.051 . . . . . A 392 ARG CB . 19474 1 758 . 1 1 68 68 ARG CG C 13 27.451 0.083 . . . . . A 392 ARG CG . 19474 1 759 . 1 1 68 68 ARG CD C 13 43.540 0.000 . . . . . A 392 ARG CD . 19474 1 760 . 1 1 68 68 ARG N N 15 122.156 0.008 . . . . . A 392 ARG N . 19474 1 761 . 1 1 69 69 ALA H H 1 7.302 0.003 . . . . . A 393 ALA H . 19474 1 762 . 1 1 69 69 ALA HA H 1 4.130 0.000 . . . . . A 393 ALA HA . 19474 1 763 . 1 1 69 69 ALA HB1 H 1 1.458 0.000 . . . . . A 393 ALA HB1 . 19474 1 764 . 1 1 69 69 ALA HB2 H 1 1.458 0.000 . . . . . A 393 ALA HB2 . 19474 1 765 . 1 1 69 69 ALA HB3 H 1 1.458 0.000 . . . . . A 393 ALA HB3 . 19474 1 766 . 1 1 69 69 ALA CA C 13 54.549 0.000 . . . . . A 393 ALA CA . 19474 1 767 . 1 1 69 69 ALA CB C 13 18.281 0.046 . . . . . A 393 ALA CB . 19474 1 768 . 1 1 69 69 ALA N N 15 122.416 0.017 . . . . . A 393 ALA N . 19474 1 769 . 1 1 70 70 LEU H H 1 7.752 0.005 . . . . . A 394 LEU H . 19474 1 770 . 1 1 70 70 LEU HA H 1 3.818 0.006 . . . . . A 394 LEU HA . 19474 1 771 . 1 1 70 70 LEU HB2 H 1 1.715 0.002 . . . . . A 394 LEU HB2 . 19474 1 772 . 1 1 70 70 LEU HB3 H 1 1.265 0.001 . . . . . A 394 LEU HB3 . 19474 1 773 . 1 1 70 70 LEU HG H 1 1.506 0.000 . . . . . A 394 LEU HG . 19474 1 774 . 1 1 70 70 LEU HD11 H 1 0.493 0.001 . . . . . A 394 LEU HD11 . 19474 1 775 . 1 1 70 70 LEU HD12 H 1 0.493 0.001 . . . . . A 394 LEU HD12 . 19474 1 776 . 1 1 70 70 LEU HD13 H 1 0.493 0.001 . . . . . A 394 LEU HD13 . 19474 1 777 . 1 1 70 70 LEU HD21 H 1 0.565 0.004 . . . . . A 394 LEU HD21 . 19474 1 778 . 1 1 70 70 LEU HD22 H 1 0.565 0.004 . . . . . A 394 LEU HD22 . 19474 1 779 . 1 1 70 70 LEU HD23 H 1 0.565 0.004 . . . . . A 394 LEU HD23 . 19474 1 780 . 1 1 70 70 LEU CA C 13 57.674 0.054 . . . . . A 394 LEU CA . 19474 1 781 . 1 1 70 70 LEU CB C 13 41.374 0.008 . . . . . A 394 LEU CB . 19474 1 782 . 1 1 70 70 LEU CG C 13 26.722 0.000 . . . . . A 394 LEU CG . 19474 1 783 . 1 1 70 70 LEU CD1 C 13 22.716 0.036 . . . . . A 394 LEU CD1 . 19474 1 784 . 1 1 70 70 LEU CD2 C 13 24.541 0.079 . . . . . A 394 LEU CD2 . 19474 1 785 . 1 1 70 70 LEU N N 15 117.697 0.054 . . . . . A 394 LEU N . 19474 1 786 . 1 1 71 71 ARG H H 1 7.586 0.003 . . . . . A 395 ARG H . 19474 1 787 . 1 1 71 71 ARG HB2 H 1 1.830 0.001 . . . . . A 395 ARG HB2 . 19474 1 788 . 1 1 71 71 ARG HB3 H 1 1.830 0.001 . . . . . A 395 ARG HB3 . 19474 1 789 . 1 1 71 71 ARG HG2 H 1 1.472 0.000 . . . . . A 395 ARG HG2 . 19474 1 790 . 1 1 71 71 ARG HG3 H 1 1.569 0.000 . . . . . A 395 ARG HG3 . 19474 1 791 . 1 1 71 71 ARG HD2 H 1 3.443 0.000 . . . . . A 395 ARG HD2 . 19474 1 792 . 1 1 71 71 ARG HD3 H 1 3.443 0.000 . . . . . A 395 ARG HD3 . 19474 1 793 . 1 1 71 71 ARG CA C 13 58.894 0.000 . . . . . A 395 ARG CA . 19474 1 794 . 1 1 71 71 ARG CB C 13 29.807 0.012 . . . . . A 395 ARG CB . 19474 1 795 . 1 1 71 71 ARG N N 15 116.406 0.013 . . . . . A 395 ARG N . 19474 1 796 . 1 1 72 72 HIS H H 1 7.416 0.006 . . . . . A 396 HIS H . 19474 1 797 . 1 1 72 72 HIS HA H 1 4.375 0.000 . . . . . A 396 HIS HA . 19474 1 798 . 1 1 72 72 HIS HB2 H 1 3.010 0.000 . . . . . A 396 HIS HB2 . 19474 1 799 . 1 1 72 72 HIS HB3 H 1 3.010 0.000 . . . . . A 396 HIS HB3 . 19474 1 800 . 1 1 72 72 HIS CA C 13 59.395 0.000 . . . . . A 396 HIS CA . 19474 1 801 . 1 1 72 72 HIS CB C 13 30.272 0.092 . . . . . A 396 HIS CB . 19474 1 802 . 1 1 72 72 HIS N N 15 119.567 0.009 . . . . . A 396 HIS N . 19474 1 803 . 1 1 73 73 TYR H H 1 7.474 0.004 . . . . . A 397 TYR H . 19474 1 804 . 1 1 73 73 TYR HA H 1 4.389 0.000 . . . . . A 397 TYR HA . 19474 1 805 . 1 1 73 73 TYR HB2 H 1 3.069 0.000 . . . . . A 397 TYR HB2 . 19474 1 806 . 1 1 73 73 TYR HB3 H 1 3.238 0.000 . . . . . A 397 TYR HB3 . 19474 1 807 . 1 1 73 73 TYR HD1 H 1 7.046 0.001 . . . . . A 397 TYR HD1 . 19474 1 808 . 1 1 73 73 TYR HD2 H 1 7.045 0.000 . . . . . A 397 TYR HD2 . 19474 1 809 . 1 1 73 73 TYR HE1 H 1 6.899 0.001 . . . . . A 397 TYR HE1 . 19474 1 810 . 1 1 73 73 TYR HE2 H 1 6.893 0.003 . . . . . A 397 TYR HE2 . 19474 1 811 . 1 1 73 73 TYR CA C 13 59.093 0.020 . . . . . A 397 TYR CA . 19474 1 812 . 1 1 73 73 TYR CB C 13 36.982 0.067 . . . . . A 397 TYR CB . 19474 1 813 . 1 1 73 73 TYR CD1 C 13 131.786 0.014 . . . . . A 397 TYR CD1 . 19474 1 814 . 1 1 73 73 TYR CD2 C 13 131.772 0.000 . . . . . A 397 TYR CD2 . 19474 1 815 . 1 1 73 73 TYR CE1 C 13 118.767 0.032 . . . . . A 397 TYR CE1 . 19474 1 816 . 1 1 73 73 TYR CE2 C 13 118.727 0.000 . . . . . A 397 TYR CE2 . 19474 1 817 . 1 1 73 73 TYR N N 15 115.372 0.022 . . . . . A 397 TYR N . 19474 1 818 . 1 1 74 74 TYR H H 1 8.135 0.003 . . . . . A 398 TYR H . 19474 1 819 . 1 1 74 74 TYR HA H 1 5.376 0.007 . . . . . A 398 TYR HA . 19474 1 820 . 1 1 74 74 TYR HB2 H 1 3.428 0.021 . . . . . A 398 TYR HB2 . 19474 1 821 . 1 1 74 74 TYR HB3 H 1 3.428 0.021 . . . . . A 398 TYR HB3 . 19474 1 822 . 1 1 74 74 TYR HD1 H 1 7.249 0.005 . . . . . A 398 TYR HD1 . 19474 1 823 . 1 1 74 74 TYR HD2 H 1 7.250 0.004 . . . . . A 398 TYR HD2 . 19474 1 824 . 1 1 74 74 TYR HE1 H 1 6.771 0.005 . . . . . A 398 TYR HE1 . 19474 1 825 . 1 1 74 74 TYR HE2 H 1 6.773 0.003 . . . . . A 398 TYR HE2 . 19474 1 826 . 1 1 74 74 TYR CA C 13 57.979 0.000 . . . . . A 398 TYR CA . 19474 1 827 . 1 1 74 74 TYR CB C 13 36.767 0.038 . . . . . A 398 TYR CB . 19474 1 828 . 1 1 74 74 TYR CD1 C 13 132.576 0.000 . . . . . A 398 TYR CD1 . 19474 1 829 . 1 1 74 74 TYR CD2 C 13 132.604 0.004 . . . . . A 398 TYR CD2 . 19474 1 830 . 1 1 74 74 TYR CE1 C 13 118.009 0.000 . . . . . A 398 TYR CE1 . 19474 1 831 . 1 1 74 74 TYR CE2 C 13 118.006 0.006 . . . . . A 398 TYR CE2 . 19474 1 832 . 1 1 74 74 TYR N N 15 122.029 0.030 . . . . . A 398 TYR N . 19474 1 833 . 1 1 75 75 LYS H H 1 7.834 0.003 . . . . . A 399 LYS H . 19474 1 834 . 1 1 75 75 LYS HA H 1 4.145 0.006 . . . . . A 399 LYS HA . 19474 1 835 . 1 1 75 75 LYS HB2 H 1 1.999 0.003 . . . . . A 399 LYS HB2 . 19474 1 836 . 1 1 75 75 LYS HB3 H 1 1.999 0.003 . . . . . A 399 LYS HB3 . 19474 1 837 . 1 1 75 75 LYS HG2 H 1 1.552 0.003 . . . . . A 399 LYS HG2 . 19474 1 838 . 1 1 75 75 LYS HG3 H 1 1.552 0.003 . . . . . A 399 LYS HG3 . 19474 1 839 . 1 1 75 75 LYS HD2 H 1 1.761 0.000 . . . . . A 399 LYS HD2 . 19474 1 840 . 1 1 75 75 LYS HD3 H 1 1.761 0.000 . . . . . A 399 LYS HD3 . 19474 1 841 . 1 1 75 75 LYS HE2 H 1 3.026 0.001 . . . . . A 399 LYS HE2 . 19474 1 842 . 1 1 75 75 LYS HE3 H 1 3.026 0.001 . . . . . A 399 LYS HE3 . 19474 1 843 . 1 1 75 75 LYS CA C 13 58.758 0.024 . . . . . A 399 LYS CA . 19474 1 844 . 1 1 75 75 LYS CB C 13 31.923 0.029 . . . . . A 399 LYS CB . 19474 1 845 . 1 1 75 75 LYS CG C 13 25.012 0.051 . . . . . A 399 LYS CG . 19474 1 846 . 1 1 75 75 LYS CD C 13 29.149 0.000 . . . . . A 399 LYS CD . 19474 1 847 . 1 1 75 75 LYS N N 15 121.044 0.018 . . . . . A 399 LYS N . 19474 1 848 . 1 1 76 76 LEU H H 1 7.170 0.005 . . . . . A 400 LEU H . 19474 1 849 . 1 1 76 76 LEU HA H 1 4.297 0.005 . . . . . A 400 LEU HA . 19474 1 850 . 1 1 76 76 LEU HB2 H 1 1.515 0.015 . . . . . A 400 LEU HB2 . 19474 1 851 . 1 1 76 76 LEU HB3 H 1 1.740 0.006 . . . . . A 400 LEU HB3 . 19474 1 852 . 1 1 76 76 LEU HG H 1 1.598 0.000 . . . . . A 400 LEU HG . 19474 1 853 . 1 1 76 76 LEU HD11 H 1 0.788 0.001 . . . . . A 400 LEU HD11 . 19474 1 854 . 1 1 76 76 LEU HD12 H 1 0.788 0.001 . . . . . A 400 LEU HD12 . 19474 1 855 . 1 1 76 76 LEU HD13 H 1 0.788 0.001 . . . . . A 400 LEU HD13 . 19474 1 856 . 1 1 76 76 LEU HD21 H 1 0.831 0.002 . . . . . A 400 LEU HD21 . 19474 1 857 . 1 1 76 76 LEU HD22 H 1 0.831 0.002 . . . . . A 400 LEU HD22 . 19474 1 858 . 1 1 76 76 LEU HD23 H 1 0.831 0.002 . . . . . A 400 LEU HD23 . 19474 1 859 . 1 1 76 76 LEU CA C 13 54.576 0.023 . . . . . A 400 LEU CA . 19474 1 860 . 1 1 76 76 LEU CB C 13 42.891 0.075 . . . . . A 400 LEU CB . 19474 1 861 . 1 1 76 76 LEU CD1 C 13 25.307 0.098 . . . . . A 400 LEU CD1 . 19474 1 862 . 1 1 76 76 LEU CD2 C 13 22.306 0.022 . . . . . A 400 LEU CD2 . 19474 1 863 . 1 1 76 76 LEU N N 15 116.263 0.027 . . . . . A 400 LEU N . 19474 1 864 . 1 1 77 77 ASN H H 1 8.030 0.005 . . . . . A 401 ASN H . 19474 1 865 . 1 1 77 77 ASN HA H 1 4.338 0.000 . . . . . A 401 ASN HA . 19474 1 866 . 1 1 77 77 ASN HB2 H 1 3.067 0.000 . . . . . A 401 ASN HB2 . 19474 1 867 . 1 1 77 77 ASN HB3 H 1 2.772 0.000 . . . . . A 401 ASN HB3 . 19474 1 868 . 1 1 77 77 ASN CA C 13 54.585 0.122 . . . . . A 401 ASN CA . 19474 1 869 . 1 1 77 77 ASN CB C 13 37.123 0.016 . . . . . A 401 ASN CB . 19474 1 870 . 1 1 77 77 ASN N N 15 115.087 0.015 . . . . . A 401 ASN N . 19474 1 871 . 1 1 78 78 ILE H H 1 7.952 0.003 . . . . . A 402 ILE H . 19474 1 872 . 1 1 78 78 ILE HA H 1 4.014 0.008 . . . . . A 402 ILE HA . 19474 1 873 . 1 1 78 78 ILE HB H 1 1.488 0.010 . . . . . A 402 ILE HB . 19474 1 874 . 1 1 78 78 ILE HG12 H 1 1.481 0.000 . . . . . A 402 ILE HG12 . 19474 1 875 . 1 1 78 78 ILE HG13 H 1 1.481 0.000 . . . . . A 402 ILE HG13 . 19474 1 876 . 1 1 78 78 ILE HG21 H 1 0.521 0.001 . . . . . A 402 ILE HG21 . 19474 1 877 . 1 1 78 78 ILE HG22 H 1 0.521 0.001 . . . . . A 402 ILE HG22 . 19474 1 878 . 1 1 78 78 ILE HG23 H 1 0.521 0.001 . . . . . A 402 ILE HG23 . 19474 1 879 . 1 1 78 78 ILE HD11 H 1 0.516 0.003 . . . . . A 402 ILE HD11 . 19474 1 880 . 1 1 78 78 ILE HD12 H 1 0.516 0.003 . . . . . A 402 ILE HD12 . 19474 1 881 . 1 1 78 78 ILE HD13 H 1 0.516 0.003 . . . . . A 402 ILE HD13 . 19474 1 882 . 1 1 78 78 ILE CA C 13 63.796 0.019 . . . . . A 402 ILE CA . 19474 1 883 . 1 1 78 78 ILE CB C 13 40.174 0.079 . . . . . A 402 ILE CB . 19474 1 884 . 1 1 78 78 ILE CG2 C 13 16.900 0.042 . . . . . A 402 ILE CG2 . 19474 1 885 . 1 1 78 78 ILE CD1 C 13 13.426 0.020 . . . . . A 402 ILE CD1 . 19474 1 886 . 1 1 78 78 ILE N N 15 114.032 0.014 . . . . . A 402 ILE N . 19474 1 887 . 1 1 79 79 ILE H H 1 7.045 0.006 . . . . . A 403 ILE H . 19474 1 888 . 1 1 79 79 ILE HA H 1 5.098 0.007 . . . . . A 403 ILE HA . 19474 1 889 . 1 1 79 79 ILE HB H 1 1.508 0.006 . . . . . A 403 ILE HB . 19474 1 890 . 1 1 79 79 ILE HG12 H 1 0.740 0.000 . . . . . A 403 ILE HG12 . 19474 1 891 . 1 1 79 79 ILE HG13 H 1 0.740 0.000 . . . . . A 403 ILE HG13 . 19474 1 892 . 1 1 79 79 ILE HG21 H 1 0.847 0.003 . . . . . A 403 ILE HG21 . 19474 1 893 . 1 1 79 79 ILE HG22 H 1 0.847 0.003 . . . . . A 403 ILE HG22 . 19474 1 894 . 1 1 79 79 ILE HG23 H 1 0.847 0.003 . . . . . A 403 ILE HG23 . 19474 1 895 . 1 1 79 79 ILE HD11 H 1 0.567 0.002 . . . . . A 403 ILE HD11 . 19474 1 896 . 1 1 79 79 ILE HD12 H 1 0.567 0.002 . . . . . A 403 ILE HD12 . 19474 1 897 . 1 1 79 79 ILE HD13 H 1 0.567 0.002 . . . . . A 403 ILE HD13 . 19474 1 898 . 1 1 79 79 ILE CA C 13 59.065 0.049 . . . . . A 403 ILE CA . 19474 1 899 . 1 1 79 79 ILE CB C 13 43.348 0.040 . . . . . A 403 ILE CB . 19474 1 900 . 1 1 79 79 ILE CG2 C 13 18.542 0.015 . . . . . A 403 ILE CG2 . 19474 1 901 . 1 1 79 79 ILE CD1 C 13 13.353 0.053 . . . . . A 403 ILE CD1 . 19474 1 902 . 1 1 79 79 ILE N N 15 116.659 0.012 . . . . . A 403 ILE N . 19474 1 903 . 1 1 80 80 ARG H H 1 8.921 0.005 . . . . . A 404 ARG H . 19474 1 904 . 1 1 80 80 ARG HA H 1 4.743 0.002 . . . . . A 404 ARG HA . 19474 1 905 . 1 1 80 80 ARG HB2 H 1 1.764 0.000 . . . . . A 404 ARG HB2 . 19474 1 906 . 1 1 80 80 ARG HB3 H 1 1.834 0.000 . . . . . A 404 ARG HB3 . 19474 1 907 . 1 1 80 80 ARG HG2 H 1 1.533 0.000 . . . . . A 404 ARG HG2 . 19474 1 908 . 1 1 80 80 ARG HG3 H 1 1.613 0.000 . . . . . A 404 ARG HG3 . 19474 1 909 . 1 1 80 80 ARG HD2 H 1 3.185 0.000 . . . . . A 404 ARG HD2 . 19474 1 910 . 1 1 80 80 ARG HD3 H 1 3.185 0.000 . . . . . A 404 ARG HD3 . 19474 1 911 . 1 1 80 80 ARG CA C 13 54.266 0.037 . . . . . A 404 ARG CA . 19474 1 912 . 1 1 80 80 ARG CB C 13 34.517 0.005 . . . . . A 404 ARG CB . 19474 1 913 . 1 1 80 80 ARG CG C 13 26.802 0.000 . . . . . A 404 ARG CG . 19474 1 914 . 1 1 80 80 ARG CD C 13 43.817 0.000 . . . . . A 404 ARG CD . 19474 1 915 . 1 1 80 80 ARG N N 15 123.081 0.038 . . . . . A 404 ARG N . 19474 1 916 . 1 1 81 81 LYS H H 1 8.429 0.002 . . . . . A 405 LYS H . 19474 1 917 . 1 1 81 81 LYS HA H 1 4.104 0.006 . . . . . A 405 LYS HA . 19474 1 918 . 1 1 81 81 LYS HB2 H 1 1.486 0.004 . . . . . A 405 LYS HB2 . 19474 1 919 . 1 1 81 81 LYS HB3 H 1 1.486 0.004 . . . . . A 405 LYS HB3 . 19474 1 920 . 1 1 81 81 LYS HG2 H 1 0.832 0.000 . . . . . A 405 LYS HG2 . 19474 1 921 . 1 1 81 81 LYS HG3 H 1 1.203 0.000 . . . . . A 405 LYS HG3 . 19474 1 922 . 1 1 81 81 LYS HD2 H 1 1.545 0.000 . . . . . A 405 LYS HD2 . 19474 1 923 . 1 1 81 81 LYS HD3 H 1 1.545 0.000 . . . . . A 405 LYS HD3 . 19474 1 924 . 1 1 81 81 LYS HE2 H 1 2.877 0.000 . . . . . A 405 LYS HE2 . 19474 1 925 . 1 1 81 81 LYS HE3 H 1 2.944 0.000 . . . . . A 405 LYS HE3 . 19474 1 926 . 1 1 81 81 LYS CA C 13 56.495 0.004 . . . . . A 405 LYS CA . 19474 1 927 . 1 1 81 81 LYS CB C 13 32.578 0.027 . . . . . A 405 LYS CB . 19474 1 928 . 1 1 81 81 LYS CG C 13 24.248 0.096 . . . . . A 405 LYS CG . 19474 1 929 . 1 1 81 81 LYS CD C 13 28.997 0.039 . . . . . A 405 LYS CD . 19474 1 930 . 1 1 81 81 LYS CE C 13 41.964 0.000 . . . . . A 405 LYS CE . 19474 1 931 . 1 1 81 81 LYS N N 15 125.572 0.010 . . . . . A 405 LYS N . 19474 1 932 . 1 1 82 82 GLU H H 1 8.036 0.002 . . . . . A 406 GLU H . 19474 1 933 . 1 1 82 82 GLU HA H 1 4.470 0.009 . . . . . A 406 GLU HA . 19474 1 934 . 1 1 82 82 GLU HB2 H 1 1.410 0.010 . . . . . A 406 GLU HB2 . 19474 1 935 . 1 1 82 82 GLU HB3 H 1 1.866 0.010 . . . . . A 406 GLU HB3 . 19474 1 936 . 1 1 82 82 GLU HG2 H 1 1.996 0.000 . . . . . A 406 GLU HG2 . 19474 1 937 . 1 1 82 82 GLU HG3 H 1 1.790 0.000 . . . . . A 406 GLU HG3 . 19474 1 938 . 1 1 82 82 GLU CA C 13 53.728 0.077 . . . . . A 406 GLU CA . 19474 1 939 . 1 1 82 82 GLU CB C 13 29.630 0.118 . . . . . A 406 GLU CB . 19474 1 940 . 1 1 82 82 GLU N N 15 128.191 0.023 . . . . . A 406 GLU N . 19474 1 941 . 1 1 83 83 PRO HA H 1 4.307 0.000 . . . . . A 407 PRO HA . 19474 1 942 . 1 1 83 83 PRO HB2 H 1 1.866 0.006 . . . . . A 407 PRO HB2 . 19474 1 943 . 1 1 83 83 PRO HB3 H 1 2.240 0.002 . . . . . A 407 PRO HB3 . 19474 1 944 . 1 1 83 83 PRO HG2 H 1 1.999 0.012 . . . . . A 407 PRO HG2 . 19474 1 945 . 1 1 83 83 PRO HG3 H 1 1.999 0.012 . . . . . A 407 PRO HG3 . 19474 1 946 . 1 1 83 83 PRO HD2 H 1 3.560 0.003 . . . . . A 407 PRO HD2 . 19474 1 947 . 1 1 83 83 PRO HD3 H 1 3.732 0.002 . . . . . A 407 PRO HD3 . 19474 1 948 . 1 1 83 83 PRO CA C 13 63.372 0.004 . . . . . A 407 PRO CA . 19474 1 949 . 1 1 83 83 PRO CB C 13 31.977 0.058 . . . . . A 407 PRO CB . 19474 1 950 . 1 1 83 83 PRO CG C 13 27.403 0.044 . . . . . A 407 PRO CG . 19474 1 951 . 1 1 84 84 GLY H H 1 8.586 0.002 . . . . . A 408 GLY H . 19474 1 952 . 1 1 84 84 GLY HA2 H 1 4.201 0.000 . . . . . A 408 GLY HA2 . 19474 1 953 . 1 1 84 84 GLY HA3 H 1 3.709 0.000 . . . . . A 408 GLY HA3 . 19474 1 954 . 1 1 84 84 GLY CA C 13 45.324 0.020 . . . . . A 408 GLY CA . 19474 1 955 . 1 1 84 84 GLY N N 15 109.685 0.023 . . . . . A 408 GLY N . 19474 1 956 . 1 1 85 85 GLN H H 1 7.664 0.003 . . . . . A 409 GLN H . 19474 1 957 . 1 1 85 85 GLN HA H 1 4.499 0.009 . . . . . A 409 GLN HA . 19474 1 958 . 1 1 85 85 GLN HB2 H 1 1.720 0.000 . . . . . A 409 GLN HB2 . 19474 1 959 . 1 1 85 85 GLN HB3 H 1 2.092 0.000 . . . . . A 409 GLN HB3 . 19474 1 960 . 1 1 85 85 GLN HG2 H 1 2.274 0.001 . . . . . A 409 GLN HG2 . 19474 1 961 . 1 1 85 85 GLN HG3 H 1 2.274 0.001 . . . . . A 409 GLN HG3 . 19474 1 962 . 1 1 85 85 GLN HE21 H 1 7.535 0.000 . . . . . A 409 GLN HE21 . 19474 1 963 . 1 1 85 85 GLN HE22 H 1 6.879 0.000 . . . . . A 409 GLN HE22 . 19474 1 964 . 1 1 85 85 GLN CA C 13 54.489 0.016 . . . . . A 409 GLN CA . 19474 1 965 . 1 1 85 85 GLN CB C 13 30.954 0.108 . . . . . A 409 GLN CB . 19474 1 966 . 1 1 85 85 GLN CG C 13 33.123 0.012 . . . . . A 409 GLN CG . 19474 1 967 . 1 1 85 85 GLN N N 15 116.861 0.021 . . . . . A 409 GLN N . 19474 1 968 . 1 1 85 85 GLN NE2 N 15 112.794 0.000 . . . . . A 409 GLN NE2 . 19474 1 969 . 1 1 86 86 ARG H H 1 8.292 0.003 . . . . . A 410 ARG H . 19474 1 970 . 1 1 86 86 ARG HA H 1 4.287 0.006 . . . . . A 410 ARG HA . 19474 1 971 . 1 1 86 86 ARG HB2 H 1 1.736 0.002 . . . . . A 410 ARG HB2 . 19474 1 972 . 1 1 86 86 ARG HB3 H 1 1.736 0.002 . . . . . A 410 ARG HB3 . 19474 1 973 . 1 1 86 86 ARG HG2 H 1 1.575 0.000 . . . . . A 410 ARG HG2 . 19474 1 974 . 1 1 86 86 ARG HG3 H 1 1.575 0.000 . . . . . A 410 ARG HG3 . 19474 1 975 . 1 1 86 86 ARG HD2 H 1 3.198 0.000 . . . . . A 410 ARG HD2 . 19474 1 976 . 1 1 86 86 ARG HD3 H 1 3.198 0.000 . . . . . A 410 ARG HD3 . 19474 1 977 . 1 1 86 86 ARG CA C 13 56.796 0.026 . . . . . A 410 ARG CA . 19474 1 978 . 1 1 86 86 ARG CB C 13 31.325 0.068 . . . . . A 410 ARG CB . 19474 1 979 . 1 1 86 86 ARG CG C 13 27.586 0.000 . . . . . A 410 ARG CG . 19474 1 980 . 1 1 86 86 ARG CD C 13 43.443 0.000 . . . . . A 410 ARG CD . 19474 1 981 . 1 1 86 86 ARG N N 15 120.355 0.030 . . . . . A 410 ARG N . 19474 1 982 . 1 1 87 87 LEU H H 1 8.514 0.003 . . . . . A 411 LEU H . 19474 1 983 . 1 1 87 87 LEU HA H 1 4.088 0.008 . . . . . A 411 LEU HA . 19474 1 984 . 1 1 87 87 LEU HB2 H 1 1.919 0.001 . . . . . A 411 LEU HB2 . 19474 1 985 . 1 1 87 87 LEU HB3 H 1 2.076 0.007 . . . . . A 411 LEU HB3 . 19474 1 986 . 1 1 87 87 LEU HG H 1 1.545 0.002 . . . . . A 411 LEU HG . 19474 1 987 . 1 1 87 87 LEU HD11 H 1 0.887 0.001 . . . . . A 411 LEU HD11 . 19474 1 988 . 1 1 87 87 LEU HD12 H 1 0.887 0.001 . . . . . A 411 LEU HD12 . 19474 1 989 . 1 1 87 87 LEU HD13 H 1 0.887 0.001 . . . . . A 411 LEU HD13 . 19474 1 990 . 1 1 87 87 LEU HD21 H 1 0.954 0.003 . . . . . A 411 LEU HD21 . 19474 1 991 . 1 1 87 87 LEU HD22 H 1 0.954 0.003 . . . . . A 411 LEU HD22 . 19474 1 992 . 1 1 87 87 LEU HD23 H 1 0.954 0.003 . . . . . A 411 LEU HD23 . 19474 1 993 . 1 1 87 87 LEU CA C 13 54.972 0.050 . . . . . A 411 LEU CA . 19474 1 994 . 1 1 87 87 LEU CB C 13 40.084 0.038 . . . . . A 411 LEU CB . 19474 1 995 . 1 1 87 87 LEU CD1 C 13 25.607 0.054 . . . . . A 411 LEU CD1 . 19474 1 996 . 1 1 87 87 LEU CD2 C 13 23.219 0.011 . . . . . A 411 LEU CD2 . 19474 1 997 . 1 1 87 87 LEU N N 15 119.399 0.026 . . . . . A 411 LEU N . 19474 1 998 . 1 1 88 88 LEU H H 1 6.801 0.005 . . . . . A 412 LEU H . 19474 1 999 . 1 1 88 88 LEU HA H 1 5.076 0.006 . . . . . A 412 LEU HA . 19474 1 1000 . 1 1 88 88 LEU HB2 H 1 1.074 0.000 . . . . . A 412 LEU HB2 . 19474 1 1001 . 1 1 88 88 LEU HB3 H 1 1.194 0.000 . . . . . A 412 LEU HB3 . 19474 1 1002 . 1 1 88 88 LEU HG H 1 1.255 0.000 . . . . . A 412 LEU HG . 19474 1 1003 . 1 1 88 88 LEU HD11 H 1 0.691 0.004 . . . . . A 412 LEU HD11 . 19474 1 1004 . 1 1 88 88 LEU HD12 H 1 0.691 0.004 . . . . . A 412 LEU HD12 . 19474 1 1005 . 1 1 88 88 LEU HD13 H 1 0.691 0.004 . . . . . A 412 LEU HD13 . 19474 1 1006 . 1 1 88 88 LEU HD21 H 1 0.740 0.004 . . . . . A 412 LEU HD21 . 19474 1 1007 . 1 1 88 88 LEU HD22 H 1 0.740 0.004 . . . . . A 412 LEU HD22 . 19474 1 1008 . 1 1 88 88 LEU HD23 H 1 0.740 0.004 . . . . . A 412 LEU HD23 . 19474 1 1009 . 1 1 88 88 LEU CA C 13 53.092 0.042 . . . . . A 412 LEU CA . 19474 1 1010 . 1 1 88 88 LEU CB C 13 45.371 0.036 . . . . . A 412 LEU CB . 19474 1 1011 . 1 1 88 88 LEU CG C 13 26.971 0.022 . . . . . A 412 LEU CG . 19474 1 1012 . 1 1 88 88 LEU CD1 C 13 24.873 0.069 . . . . . A 412 LEU CD1 . 19474 1 1013 . 1 1 88 88 LEU CD2 C 13 24.943 0.010 . . . . . A 412 LEU CD2 . 19474 1 1014 . 1 1 88 88 LEU N N 15 119.273 0.019 . . . . . A 412 LEU N . 19474 1 1015 . 1 1 89 89 PHE H H 1 8.680 0.003 . . . . . A 413 PHE H . 19474 1 1016 . 1 1 89 89 PHE HA H 1 4.875 0.001 . . . . . A 413 PHE HA . 19474 1 1017 . 1 1 89 89 PHE HB2 H 1 0.766 0.006 . . . . . A 413 PHE HB2 . 19474 1 1018 . 1 1 89 89 PHE HB3 H 1 2.199 0.007 . . . . . A 413 PHE HB3 . 19474 1 1019 . 1 1 89 89 PHE HD1 H 1 7.259 0.002 . . . . . A 413 PHE HD1 . 19474 1 1020 . 1 1 89 89 PHE HD2 H 1 7.240 0.000 . . . . . A 413 PHE HD2 . 19474 1 1021 . 1 1 89 89 PHE HE1 H 1 6.636 0.003 . . . . . A 413 PHE HE1 . 19474 1 1022 . 1 1 89 89 PHE HE2 H 1 6.638 0.000 . . . . . A 413 PHE HE2 . 19474 1 1023 . 1 1 89 89 PHE HZ H 1 7.295 0.002 . . . . . A 413 PHE HZ . 19474 1 1024 . 1 1 89 89 PHE CA C 13 55.828 0.067 . . . . . A 413 PHE CA . 19474 1 1025 . 1 1 89 89 PHE CB C 13 44.513 0.053 . . . . . A 413 PHE CB . 19474 1 1026 . 1 1 89 89 PHE CE1 C 13 131.395 0.036 . . . . . A 413 PHE CE1 . 19474 1 1027 . 1 1 89 89 PHE CE2 C 13 131.550 0.000 . . . . . A 413 PHE CE2 . 19474 1 1028 . 1 1 89 89 PHE N N 15 122.124 0.045 . . . . . A 413 PHE N . 19474 1 1029 . 1 1 90 90 ARG H H 1 9.129 0.025 . . . . . A 414 ARG H . 19474 1 1030 . 1 1 90 90 ARG HA H 1 5.595 0.007 . . . . . A 414 ARG HA . 19474 1 1031 . 1 1 90 90 ARG HB2 H 1 1.732 0.002 . . . . . A 414 ARG HB2 . 19474 1 1032 . 1 1 90 90 ARG HB3 H 1 1.732 0.002 . . . . . A 414 ARG HB3 . 19474 1 1033 . 1 1 90 90 ARG HG2 H 1 1.567 0.005 . . . . . A 414 ARG HG2 . 19474 1 1034 . 1 1 90 90 ARG HG3 H 1 1.567 0.005 . . . . . A 414 ARG HG3 . 19474 1 1035 . 1 1 90 90 ARG HD2 H 1 3.296 0.001 . . . . . A 414 ARG HD2 . 19474 1 1036 . 1 1 90 90 ARG HD3 H 1 3.001 0.002 . . . . . A 414 ARG HD3 . 19474 1 1037 . 1 1 90 90 ARG CA C 13 54.215 0.014 . . . . . A 414 ARG CA . 19474 1 1038 . 1 1 90 90 ARG CB C 13 35.850 0.018 . . . . . A 414 ARG CB . 19474 1 1039 . 1 1 90 90 ARG CG C 13 26.874 0.094 . . . . . A 414 ARG CG . 19474 1 1040 . 1 1 90 90 ARG CD C 13 44.271 0.005 . . . . . A 414 ARG CD . 19474 1 1041 . 1 1 90 90 ARG N N 15 119.572 0.015 . . . . . A 414 ARG N . 19474 1 1042 . 1 1 91 91 PHE H H 1 9.047 0.003 . . . . . A 415 PHE H . 19474 1 1043 . 1 1 91 91 PHE HA H 1 5.079 0.000 . . . . . A 415 PHE HA . 19474 1 1044 . 1 1 91 91 PHE HB2 H 1 3.275 0.000 . . . . . A 415 PHE HB2 . 19474 1 1045 . 1 1 91 91 PHE HB3 H 1 3.535 0.000 . . . . . A 415 PHE HB3 . 19474 1 1046 . 1 1 91 91 PHE HD1 H 1 6.787 0.004 . . . . . A 415 PHE HD1 . 19474 1 1047 . 1 1 91 91 PHE HD2 H 1 6.789 0.000 . . . . . A 415 PHE HD2 . 19474 1 1048 . 1 1 91 91 PHE HE1 H 1 7.485 0.002 . . . . . A 415 PHE HE1 . 19474 1 1049 . 1 1 91 91 PHE HE2 H 1 7.484 0.000 . . . . . A 415 PHE HE2 . 19474 1 1050 . 1 1 91 91 PHE HZ H 1 6.874 0.000 . . . . . A 415 PHE HZ . 19474 1 1051 . 1 1 91 91 PHE CA C 13 59.283 0.000 . . . . . A 415 PHE CA . 19474 1 1052 . 1 1 91 91 PHE CB C 13 40.630 0.036 . . . . . A 415 PHE CB . 19474 1 1053 . 1 1 91 91 PHE CD1 C 13 131.608 0.003 . . . . . A 415 PHE CD1 . 19474 1 1054 . 1 1 91 91 PHE CD2 C 13 131.522 0.000 . . . . . A 415 PHE CD2 . 19474 1 1055 . 1 1 91 91 PHE CE1 C 13 131.702 0.001 . . . . . A 415 PHE CE1 . 19474 1 1056 . 1 1 91 91 PHE CE2 C 13 131.755 0.000 . . . . . A 415 PHE CE2 . 19474 1 1057 . 1 1 91 91 PHE N N 15 124.506 0.016 . . . . . A 415 PHE N . 19474 1 1058 . 1 1 92 92 MET H H 1 8.659 0.004 . . . . . A 416 MET H . 19474 1 1059 . 1 1 92 92 MET HA H 1 4.641 0.002 . . . . . A 416 MET HA . 19474 1 1060 . 1 1 92 92 MET HB2 H 1 1.967 0.000 . . . . . A 416 MET HB2 . 19474 1 1061 . 1 1 92 92 MET HB3 H 1 2.184 0.003 . . . . . A 416 MET HB3 . 19474 1 1062 . 1 1 92 92 MET HG2 H 1 2.460 0.006 . . . . . A 416 MET HG2 . 19474 1 1063 . 1 1 92 92 MET HG3 H 1 2.460 0.006 . . . . . A 416 MET HG3 . 19474 1 1064 . 1 1 92 92 MET HE1 H 1 2.072 0.000 . . . . . A 416 MET HE1 . 19474 1 1065 . 1 1 92 92 MET HE2 H 1 2.072 0.000 . . . . . A 416 MET HE2 . 19474 1 1066 . 1 1 92 92 MET HE3 H 1 2.072 0.000 . . . . . A 416 MET HE3 . 19474 1 1067 . 1 1 92 92 MET CA C 13 54.830 0.027 . . . . . A 416 MET CA . 19474 1 1068 . 1 1 92 92 MET CB C 13 31.469 0.022 . . . . . A 416 MET CB . 19474 1 1069 . 1 1 92 92 MET CE C 13 16.870 0.000 . . . . . A 416 MET CE . 19474 1 1070 . 1 1 92 92 MET N N 15 121.289 0.033 . . . . . A 416 MET N . 19474 1 1071 . 1 1 93 93 LYS H H 1 7.665 0.001 . . . . . A 417 LYS H . 19474 1 1072 . 1 1 93 93 LYS HA H 1 4.847 0.000 . . . . . A 417 LYS HA . 19474 1 1073 . 1 1 93 93 LYS HB2 H 1 1.869 0.002 . . . . . A 417 LYS HB2 . 19474 1 1074 . 1 1 93 93 LYS HB3 H 1 1.499 0.000 . . . . . A 417 LYS HB3 . 19474 1 1075 . 1 1 93 93 LYS HG2 H 1 1.480 0.000 . . . . . A 417 LYS HG2 . 19474 1 1076 . 1 1 93 93 LYS HG3 H 1 1.480 0.000 . . . . . A 417 LYS HG3 . 19474 1 1077 . 1 1 93 93 LYS HD2 H 1 1.418 0.000 . . . . . A 417 LYS HD2 . 19474 1 1078 . 1 1 93 93 LYS HD3 H 1 1.418 0.000 . . . . . A 417 LYS HD3 . 19474 1 1079 . 1 1 93 93 LYS HE2 H 1 2.957 0.003 . . . . . A 417 LYS HE2 . 19474 1 1080 . 1 1 93 93 LYS HE3 H 1 2.957 0.003 . . . . . A 417 LYS HE3 . 19474 1 1081 . 1 1 93 93 LYS CA C 13 54.609 0.060 . . . . . A 417 LYS CA . 19474 1 1082 . 1 1 93 93 LYS CB C 13 37.575 0.024 . . . . . A 417 LYS CB . 19474 1 1083 . 1 1 93 93 LYS CG C 13 25.099 0.091 . . . . . A 417 LYS CG . 19474 1 1084 . 1 1 93 93 LYS CD C 13 29.700 0.113 . . . . . A 417 LYS CD . 19474 1 1085 . 1 1 93 93 LYS CE C 13 42.174 0.000 . . . . . A 417 LYS CE . 19474 1 1086 . 1 1 93 93 LYS N N 15 117.682 0.021 . . . . . A 417 LYS N . 19474 1 1087 . 1 1 94 94 THR H H 1 8.691 0.004 . . . . . A 418 THR H . 19474 1 1088 . 1 1 94 94 THR HA H 1 4.396 0.005 . . . . . A 418 THR HA . 19474 1 1089 . 1 1 94 94 THR HB H 1 4.181 0.005 . . . . . A 418 THR HB . 19474 1 1090 . 1 1 94 94 THR HG21 H 1 1.160 0.002 . . . . . A 418 THR HG21 . 19474 1 1091 . 1 1 94 94 THR HG22 H 1 1.160 0.002 . . . . . A 418 THR HG22 . 19474 1 1092 . 1 1 94 94 THR HG23 H 1 1.160 0.002 . . . . . A 418 THR HG23 . 19474 1 1093 . 1 1 94 94 THR CA C 13 59.533 0.048 . . . . . A 418 THR CA . 19474 1 1094 . 1 1 94 94 THR CB C 13 68.060 0.020 . . . . . A 418 THR CB . 19474 1 1095 . 1 1 94 94 THR CG2 C 13 22.039 0.146 . . . . . A 418 THR CG2 . 19474 1 1096 . 1 1 94 94 THR N N 15 112.821 0.024 . . . . . A 418 THR N . 19474 1 1097 . 1 1 95 95 PRO HA H 1 3.844 0.003 . . . . . A 419 PRO HA . 19474 1 1098 . 1 1 95 95 PRO HB2 H 1 1.664 0.004 . . . . . A 419 PRO HB2 . 19474 1 1099 . 1 1 95 95 PRO HB3 H 1 2.054 0.007 . . . . . A 419 PRO HB3 . 19474 1 1100 . 1 1 95 95 PRO HG2 H 1 0.972 0.003 . . . . . A 419 PRO HG2 . 19474 1 1101 . 1 1 95 95 PRO HG3 H 1 1.482 0.000 . . . . . A 419 PRO HG3 . 19474 1 1102 . 1 1 95 95 PRO HD2 H 1 2.876 0.005 . . . . . A 419 PRO HD2 . 19474 1 1103 . 1 1 95 95 PRO HD3 H 1 2.876 0.005 . . . . . A 419 PRO HD3 . 19474 1 1104 . 1 1 95 95 PRO CA C 13 65.323 0.074 . . . . . A 419 PRO CA . 19474 1 1105 . 1 1 95 95 PRO CB C 13 31.576 0.033 . . . . . A 419 PRO CB . 19474 1 1106 . 1 1 95 95 PRO CG C 13 27.268 0.000 . . . . . A 419 PRO CG . 19474 1 1107 . 1 1 95 95 PRO CD C 13 49.582 0.023 . . . . . A 419 PRO CD . 19474 1 1108 . 1 1 96 96 ASP H H 1 8.009 0.002 . . . . . A 420 ASP H . 19474 1 1109 . 1 1 96 96 ASP HA H 1 4.322 0.001 . . . . . A 420 ASP HA . 19474 1 1110 . 1 1 96 96 ASP HB2 H 1 2.577 0.000 . . . . . A 420 ASP HB2 . 19474 1 1111 . 1 1 96 96 ASP HB3 H 1 2.507 0.000 . . . . . A 420 ASP HB3 . 19474 1 1112 . 1 1 96 96 ASP CA C 13 56.168 0.056 . . . . . A 420 ASP CA . 19474 1 1113 . 1 1 96 96 ASP CB C 13 40.514 0.026 . . . . . A 420 ASP CB . 19474 1 1114 . 1 1 96 96 ASP N N 15 115.069 0.012 . . . . . A 420 ASP N . 19474 1 1115 . 1 1 97 97 GLU H H 1 7.734 0.001 . . . . . A 421 GLU H . 19474 1 1116 . 1 1 97 97 GLU HA H 1 4.026 0.004 . . . . . A 421 GLU HA . 19474 1 1117 . 1 1 97 97 GLU HB2 H 1 1.956 0.000 . . . . . A 421 GLU HB2 . 19474 1 1118 . 1 1 97 97 GLU HB3 H 1 1.956 0.000 . . . . . A 421 GLU HB3 . 19474 1 1119 . 1 1 97 97 GLU HG2 H 1 2.287 0.004 . . . . . A 421 GLU HG2 . 19474 1 1120 . 1 1 97 97 GLU HG3 H 1 2.171 0.009 . . . . . A 421 GLU HG3 . 19474 1 1121 . 1 1 97 97 GLU CA C 13 58.203 0.042 . . . . . A 421 GLU CA . 19474 1 1122 . 1 1 97 97 GLU CB C 13 30.432 0.018 . . . . . A 421 GLU CB . 19474 1 1123 . 1 1 97 97 GLU CG C 13 37.067 0.024 . . . . . A 421 GLU CG . 19474 1 1124 . 1 1 97 97 GLU N N 15 119.985 0.013 . . . . . A 421 GLU N . 19474 1 1125 . 1 1 98 98 ILE H H 1 7.935 0.006 . . . . . A 422 ILE H . 19474 1 1126 . 1 1 98 98 ILE HA H 1 3.718 0.004 . . . . . A 422 ILE HA . 19474 1 1127 . 1 1 98 98 ILE HB H 1 1.434 0.002 . . . . . A 422 ILE HB . 19474 1 1128 . 1 1 98 98 ILE HG12 H 1 0.680 0.000 . . . . . A 422 ILE HG12 . 19474 1 1129 . 1 1 98 98 ILE HG13 H 1 0.680 0.000 . . . . . A 422 ILE HG13 . 19474 1 1130 . 1 1 98 98 ILE HG21 H 1 0.468 0.006 . . . . . A 422 ILE HG21 . 19474 1 1131 . 1 1 98 98 ILE HG22 H 1 0.468 0.006 . . . . . A 422 ILE HG22 . 19474 1 1132 . 1 1 98 98 ILE HG23 H 1 0.468 0.006 . . . . . A 422 ILE HG23 . 19474 1 1133 . 1 1 98 98 ILE HD11 H 1 0.248 0.006 . . . . . A 422 ILE HD11 . 19474 1 1134 . 1 1 98 98 ILE HD12 H 1 0.248 0.006 . . . . . A 422 ILE HD12 . 19474 1 1135 . 1 1 98 98 ILE HD13 H 1 0.248 0.006 . . . . . A 422 ILE HD13 . 19474 1 1136 . 1 1 98 98 ILE CA C 13 63.492 0.046 . . . . . A 422 ILE CA . 19474 1 1137 . 1 1 98 98 ILE CB C 13 38.128 0.000 . . . . . A 422 ILE CB . 19474 1 1138 . 1 1 98 98 ILE CG1 C 13 28.326 0.000 . . . . . A 422 ILE CG1 . 19474 1 1139 . 1 1 98 98 ILE CG2 C 13 17.297 0.035 . . . . . A 422 ILE CG2 . 19474 1 1140 . 1 1 98 98 ILE CD1 C 13 12.802 0.032 . . . . . A 422 ILE CD1 . 19474 1 1141 . 1 1 98 98 ILE N N 15 120.395 0.007 . . . . . A 422 ILE N . 19474 1 1142 . 1 1 99 99 MET H H 1 8.275 0.002 . . . . . A 423 MET H . 19474 1 1143 . 1 1 99 99 MET HA H 1 4.414 0.000 . . . . . A 423 MET HA . 19474 1 1144 . 1 1 99 99 MET HB2 H 1 2.138 0.000 . . . . . A 423 MET HB2 . 19474 1 1145 . 1 1 99 99 MET HB3 H 1 2.138 0.000 . . . . . A 423 MET HB3 . 19474 1 1146 . 1 1 99 99 MET HG2 H 1 2.718 0.000 . . . . . A 423 MET HG2 . 19474 1 1147 . 1 1 99 99 MET HG3 H 1 2.671 0.000 . . . . . A 423 MET HG3 . 19474 1 1148 . 1 1 99 99 MET HE1 H 1 2.122 0.000 . . . . . A 423 MET HE1 . 19474 1 1149 . 1 1 99 99 MET HE2 H 1 2.122 0.000 . . . . . A 423 MET HE2 . 19474 1 1150 . 1 1 99 99 MET HE3 H 1 2.122 0.000 . . . . . A 423 MET HE3 . 19474 1 1151 . 1 1 99 99 MET CA C 13 56.549 0.033 . . . . . A 423 MET CA . 19474 1 1152 . 1 1 99 99 MET CB C 13 32.529 0.108 . . . . . A 423 MET CB . 19474 1 1153 . 1 1 99 99 MET CG C 13 32.213 0.000 . . . . . A 423 MET CG . 19474 1 1154 . 1 1 99 99 MET CE C 13 16.878 0.000 . . . . . A 423 MET CE . 19474 1 1155 . 1 1 99 99 MET N N 15 119.942 0.045 . . . . . A 423 MET N . 19474 1 1156 . 1 1 100 100 SER H H 1 7.924 0.002 . . . . . A 424 SER H . 19474 1 1157 . 1 1 100 100 SER HA H 1 4.451 0.000 . . . . . A 424 SER HA . 19474 1 1158 . 1 1 100 100 SER HB2 H 1 3.949 0.000 . . . . . A 424 SER HB2 . 19474 1 1159 . 1 1 100 100 SER HB3 H 1 3.949 0.000 . . . . . A 424 SER HB3 . 19474 1 1160 . 1 1 100 100 SER CA C 13 58.975 0.067 . . . . . A 424 SER CA . 19474 1 1161 . 1 1 100 100 SER CB C 13 64.057 0.105 . . . . . A 424 SER CB . 19474 1 1162 . 1 1 100 100 SER N N 15 114.612 0.023 . . . . . A 424 SER N . 19474 1 1163 . 1 1 101 101 GLY H H 1 8.107 0.002 . . . . . A 425 GLY H . 19474 1 1164 . 1 1 101 101 GLY HA2 H 1 3.983 0.000 . . . . . A 425 GLY HA2 . 19474 1 1165 . 1 1 101 101 GLY HA3 H 1 3.983 0.000 . . . . . A 425 GLY HA3 . 19474 1 1166 . 1 1 101 101 GLY CA C 13 45.853 0.012 . . . . . A 425 GLY CA . 19474 1 1167 . 1 1 101 101 GLY N N 15 110.795 0.006 . . . . . A 425 GLY N . 19474 1 1168 . 1 1 102 102 ARG H H 1 7.830 0.001 . . . . . A 426 ARG H . 19474 1 1169 . 1 1 102 102 ARG HA H 1 4.203 0.005 . . . . . A 426 ARG HA . 19474 1 1170 . 1 1 102 102 ARG HB2 H 1 1.661 0.001 . . . . . A 426 ARG HB2 . 19474 1 1171 . 1 1 102 102 ARG HB3 H 1 1.889 0.001 . . . . . A 426 ARG HB3 . 19474 1 1172 . 1 1 102 102 ARG HG2 H 1 1.588 0.000 . . . . . A 426 ARG HG2 . 19474 1 1173 . 1 1 102 102 ARG HG3 H 1 1.588 0.000 . . . . . A 426 ARG HG3 . 19474 1 1174 . 1 1 102 102 ARG HD2 H 1 3.200 0.000 . . . . . A 426 ARG HD2 . 19474 1 1175 . 1 1 102 102 ARG HD3 H 1 3.200 0.000 . . . . . A 426 ARG HD3 . 19474 1 1176 . 1 1 102 102 ARG CA C 13 57.247 0.011 . . . . . A 426 ARG CA . 19474 1 1177 . 1 1 102 102 ARG CB C 13 31.526 0.023 . . . . . A 426 ARG CB . 19474 1 1178 . 1 1 102 102 ARG N N 15 125.421 0.008 . . . . . A 426 ARG N . 19474 1 stop_ save_