data_18115 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18115 _Entry.Title ; Solution Structure of The C-terminal Domain (537-610) of Human Heat Shock Protein 70 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-01 _Entry.Accession_date 2011-12-01 _Entry.Last_release_date 2012-08-29 _Entry.Original_release_date 2012-08-29 _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 Chenjie Zhou . . . 18115 2 Xuechao Gao . . . 18115 3 Meng Wu . . . 18115 4 Hongyu Hu . . . 18115 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' . 18115 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-terminal Domain' . 18115 Helix . 18115 HSP70 . 18115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 18115 '15N chemical shifts' 79 18115 '1H chemical shifts' 484 18115 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-29 2011-12-01 original author . 18115 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMG 'BMRB Entry Tracking System' 18115 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18115 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22219199 _Citation.Full_citation . _Citation.Title 'The C-terminal helices of heat shock protein 70 are essential for J-domain binding and ATPase activation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 8 _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 6044 _Citation.Page_last 6052 _Citation.Year 2012 _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 Xuechao Gao . . . 18115 1 2 Chenjie Zhou . . . 18115 1 3 Ziren Zhou . . . 18115 1 4 Meng Wu . . . 18115 1 5 Chunyang Cao . . . 18115 1 6 Hongyu Hu . . . 18115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18115 _Assembly.ID 1 _Assembly.Name 'C-terminal Domain (537-610) of Human Heat Shock Protein 70' _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 'C-terminal Domain (537-610) of Human Heat Shock Protein 70' 1 $entity A . yes native no no . . . 18115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSAKNALESYAFNMKSAVED EGLKGKISEADKKKVLDKCQ EVISWLDANTLAEKDEFEHK RKELEQVCNPIISGL ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8325.507 _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 2LMG . "Solution Structure Of The C-Terminal Domain (537-610) Of Human Heat Shock Protein 70" . . . . . 100.00 75 100.00 100.00 4.84e-45 . . . . 18115 1 2 no PDB 3LOF . "C-Terminal Domain Of Human Heat Shock 70kda Protein 1b" . . . . . 98.67 113 98.65 98.65 2.61e-43 . . . . 18115 1 3 no PDB 4PO2 . "Crystal Structure Of The Stress-inducible Human Heat Shock Protein Hsp70 Substrate-binding Domain In Complex With Peptide Subst" . . . . . 98.67 235 100.00 100.00 1.55e-43 . . . . 18115 1 4 no DBJ BAB63299 . "heat shock protein [Homo sapiens]" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 5 no DBJ BAB63300 . "heat shock protein [Homo sapiens]" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 6 no DBJ BAC79353 . "heat shock protein 70 [Canis lupus familiaris]" . . . . . 98.67 641 98.65 100.00 4.78e-41 . . . . 18115 1 7 no DBJ BAC79354 . "heat shock protein 70 [Canis lupus familiaris]" . . . . . 98.67 641 98.65 100.00 4.78e-41 . . . . 18115 1 8 no DBJ BAC79355 . "heat shock protein 70 [Canis lupus familiaris]" . . . . . 98.67 641 98.65 100.00 4.78e-41 . . . . 18115 1 9 no EMBL CAA50019 . "heat shock protein 70 [Chlorocebus aethiops]" . . . . . 98.67 638 98.65 98.65 2.36e-40 . . . . 18115 1 10 no EMBL CAH23703 . "putative heat shock protein 70.1 [Bubalus bubalis]" . . . . . 56.00 73 97.62 97.62 1.27e-19 . . . . 18115 1 11 no EMBL CAH91519 . "hypothetical protein [Pongo abelii]" . . . . . 98.67 641 100.00 100.00 2.74e-41 . . . . 18115 1 12 no EMBL CAH92327 . "hypothetical protein [Pongo abelii]" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 13 no EMBL CAN13333 . "heat shock 70kDa protein 1A [Sus scrofa]" . . . . . 98.67 641 100.00 100.00 2.45e-41 . . . . 18115 1 14 no GB AAA03450 . "70 kda heat shock protein-1, partial [Bos taurus]" . . . . . 98.67 430 98.65 98.65 1.45e-40 . . . . 18115 1 15 no GB AAA03451 . "70 kda heat shock protein-2 [Bos taurus]" . . . . . 98.67 641 98.65 98.65 4.65e-40 . . . . 18115 1 16 no GB AAA52697 . "heat shock protein [Homo sapiens]" . . . . . 98.67 640 100.00 100.00 2.75e-41 . . . . 18115 1 17 no GB AAA63226 . "heat shock-induced protein [Homo sapiens]" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 18 no GB AAA63227 . "heat shock-induced protein [Homo sapiens]" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 19 no REF NP_001003067 . "heat shock 70 kDa protein 1 [Canis lupus familiaris]" . . . . . 98.67 641 98.65 100.00 4.78e-41 . . . . 18115 1 20 no REF NP_001125893 . "heat shock 70 kDa protein 1 [Pongo abelii]" . . . . . 98.67 641 100.00 100.00 2.74e-41 . . . . 18115 1 21 no REF NP_001243852 . "heat shock 70kDa protein 1A [Equus caballus]" . . . . . 98.67 641 98.65 100.00 2.19e-38 . . . . 18115 1 22 no REF NP_001254803 . "heat shock 70 kDa protein 1A/1B [Ovis aries]" . . . . . 98.67 641 98.65 98.65 4.25e-40 . . . . 18115 1 23 no REF NP_001270918 . "uncharacterized protein LOC101925240 [Macaca fascicularis]" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 24 no SP P0DMV8 . "RecName: Full=Heat shock 70 kDa protein 1A; AltName: Full=Heat shock 70 kDa protein 1; Short=HSP70-1; Short=HSP70.1" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 25 no SP P0DMV9 . "RecName: Full=Heat shock 70 kDa protein 1B; AltName: Full=Heat shock 70 kDa protein 2; Short=HSP70-2; Short=HSP70.2" . . . . . 98.67 641 100.00 100.00 2.61e-41 . . . . 18115 1 26 no SP P34930 . "RecName: Full=Heat shock 70 kDa protein 1A; AltName: Full=Heat shock 70 kDa protein 1; Short=HSP70.1" . . . . . 98.67 641 97.30 97.30 4.17e-40 . . . . 18115 1 27 no SP Q27965 . "RecName: Full=Heat shock 70 kDa protein 1B; AltName: Full=Heat shock 70 kDa protein 2; Short=HSP70.2" . . . . . 98.67 641 98.65 98.65 4.65e-40 . . . . 18115 1 28 no SP Q27975 . "RecName: Full=Heat shock 70 kDa protein 1A; AltName: Full=Heat shock 70 kDa protein 1; Short=HSP70.1" . . . . . 98.67 641 98.65 98.65 4.65e-40 . . . . 18115 1 29 no TPG DAA16342 . "TPA: heat shock 70 kDa protein 1A [Bos taurus]" . . . . . 98.67 641 98.65 98.65 4.65e-40 . . . . 18115 1 30 no TPG DAA16344 . "TPA: heat shock 70 kDa protein 1A/1B [Bos taurus]" . . . . . 98.67 641 98.65 98.65 4.65e-40 . . . . 18115 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 1 536 GLY . 18115 1 2 537 SER . 18115 1 3 538 ALA . 18115 1 4 539 LYS . 18115 1 5 540 ASN . 18115 1 6 541 ALA . 18115 1 7 542 LEU . 18115 1 8 543 GLU . 18115 1 9 544 SER . 18115 1 10 545 TYR . 18115 1 11 546 ALA . 18115 1 12 547 PHE . 18115 1 13 548 ASN . 18115 1 14 549 MET . 18115 1 15 550 LYS . 18115 1 16 551 SER . 18115 1 17 552 ALA . 18115 1 18 553 VAL . 18115 1 19 554 GLU . 18115 1 20 555 ASP . 18115 1 21 556 GLU . 18115 1 22 557 GLY . 18115 1 23 558 LEU . 18115 1 24 559 LYS . 18115 1 25 560 GLY . 18115 1 26 561 LYS . 18115 1 27 562 ILE . 18115 1 28 563 SER . 18115 1 29 564 GLU . 18115 1 30 565 ALA . 18115 1 31 566 ASP . 18115 1 32 567 LYS . 18115 1 33 568 LYS . 18115 1 34 569 LYS . 18115 1 35 570 VAL . 18115 1 36 571 LEU . 18115 1 37 572 ASP . 18115 1 38 573 LYS . 18115 1 39 574 CYS . 18115 1 40 575 GLN . 18115 1 41 576 GLU . 18115 1 42 577 VAL . 18115 1 43 578 ILE . 18115 1 44 579 SER . 18115 1 45 580 TRP . 18115 1 46 581 LEU . 18115 1 47 582 ASP . 18115 1 48 583 ALA . 18115 1 49 584 ASN . 18115 1 50 585 THR . 18115 1 51 586 LEU . 18115 1 52 587 ALA . 18115 1 53 588 GLU . 18115 1 54 589 LYS . 18115 1 55 590 ASP . 18115 1 56 591 GLU . 18115 1 57 592 PHE . 18115 1 58 593 GLU . 18115 1 59 594 HIS . 18115 1 60 595 LYS . 18115 1 61 596 ARG . 18115 1 62 597 LYS . 18115 1 63 598 GLU . 18115 1 64 599 LEU . 18115 1 65 600 GLU . 18115 1 66 601 GLN . 18115 1 67 602 VAL . 18115 1 68 603 CYS . 18115 1 69 604 ASN . 18115 1 70 605 PRO . 18115 1 71 606 ILE . 18115 1 72 607 ILE . 18115 1 73 608 SER . 18115 1 74 609 GLY . 18115 1 75 610 LEU . 18115 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 18115 1 . SER 2 2 18115 1 . ALA 3 3 18115 1 . LYS 4 4 18115 1 . ASN 5 5 18115 1 . ALA 6 6 18115 1 . LEU 7 7 18115 1 . GLU 8 8 18115 1 . SER 9 9 18115 1 . TYR 10 10 18115 1 . ALA 11 11 18115 1 . PHE 12 12 18115 1 . ASN 13 13 18115 1 . MET 14 14 18115 1 . LYS 15 15 18115 1 . SER 16 16 18115 1 . ALA 17 17 18115 1 . VAL 18 18 18115 1 . GLU 19 19 18115 1 . ASP 20 20 18115 1 . GLU 21 21 18115 1 . GLY 22 22 18115 1 . LEU 23 23 18115 1 . LYS 24 24 18115 1 . GLY 25 25 18115 1 . LYS 26 26 18115 1 . ILE 27 27 18115 1 . SER 28 28 18115 1 . GLU 29 29 18115 1 . ALA 30 30 18115 1 . ASP 31 31 18115 1 . LYS 32 32 18115 1 . LYS 33 33 18115 1 . LYS 34 34 18115 1 . VAL 35 35 18115 1 . LEU 36 36 18115 1 . ASP 37 37 18115 1 . LYS 38 38 18115 1 . CYS 39 39 18115 1 . GLN 40 40 18115 1 . GLU 41 41 18115 1 . VAL 42 42 18115 1 . ILE 43 43 18115 1 . SER 44 44 18115 1 . TRP 45 45 18115 1 . LEU 46 46 18115 1 . ASP 47 47 18115 1 . ALA 48 48 18115 1 . ASN 49 49 18115 1 . THR 50 50 18115 1 . LEU 51 51 18115 1 . ALA 52 52 18115 1 . GLU 53 53 18115 1 . LYS 54 54 18115 1 . ASP 55 55 18115 1 . GLU 56 56 18115 1 . PHE 57 57 18115 1 . GLU 58 58 18115 1 . HIS 59 59 18115 1 . LYS 60 60 18115 1 . ARG 61 61 18115 1 . LYS 62 62 18115 1 . GLU 63 63 18115 1 . LEU 64 64 18115 1 . GLU 65 65 18115 1 . GLN 66 66 18115 1 . VAL 67 67 18115 1 . CYS 68 68 18115 1 . ASN 69 69 18115 1 . PRO 70 70 18115 1 . ILE 71 71 18115 1 . ILE 72 72 18115 1 . SER 73 73 18115 1 . GLY 74 74 18115 1 . LEU 75 75 18115 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 18115 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18115 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 18115 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-32M . . . . . . 18115 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18115 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18115 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18115 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18115 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18115 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18115 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18115 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18115 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18115 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18115 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18115 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18115 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18115 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18115 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18115 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18115 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18115 3 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 18115 _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 pH 6.5 . pH 18115 1 pressure 1 . atm 18115 1 temperature 298 . K 18115 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18115 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18115 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18115 1 'structure solution' 18115 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18115 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18115 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18115 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18115 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18115 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18115 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18115 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18115 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18115 4 'peak picking' 18115 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18115 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18115 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18115 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 18115 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18115 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18115 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 18115 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 3 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 4 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 9 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 1 10 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18115 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 18115 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 18115 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 18115 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . . . . . 18115 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 18115 _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' . . . 18115 1 2 '3D HNCACB' . . . 18115 1 3 '3D C(CO)NH' . . . 18115 1 4 '3D H(CCO)NH' . . . 18115 1 5 '3D HCCH-TOCSY' . . . 18115 1 8 '3D HNCO' . . . 18115 1 9 '2D (HB)CB(CGCD)HD' . . . 18115 1 10 '2D (HB)CB(CGCDCE)HE' . . . 18115 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 2 2 SER HA H 1 4.401 0.012 . 1 . . . A 537 SER HA . 18115 1 2 . 1 1 2 2 SER HB2 H 1 4.034 0.010 . 2 . . . A 537 SER HB2 . 18115 1 3 . 1 1 2 2 SER HB3 H 1 3.831 0.007 . 2 . . . A 537 SER HB3 . 18115 1 4 . 1 1 2 2 SER C C 13 175.450 0.000 . 1 . . . A 537 SER C . 18115 1 5 . 1 1 2 2 SER CA C 13 58.387 0.103 . 1 . . . A 537 SER CA . 18115 1 6 . 1 1 2 2 SER CB C 13 64.163 0.147 . 1 . . . A 537 SER CB . 18115 1 7 . 1 1 3 3 ALA H H 1 8.781 0.004 . 1 . . . A 538 ALA H . 18115 1 8 . 1 1 3 3 ALA HA H 1 4.107 0.008 . 1 . . . A 538 ALA HA . 18115 1 9 . 1 1 3 3 ALA HB1 H 1 1.347 0.012 . 1 . . . A 538 ALA HB1 . 18115 1 10 . 1 1 3 3 ALA HB2 H 1 1.347 0.012 . 1 . . . A 538 ALA HB2 . 18115 1 11 . 1 1 3 3 ALA HB3 H 1 1.347 0.012 . 1 . . . A 538 ALA HB3 . 18115 1 12 . 1 1 3 3 ALA C C 13 179.658 0.000 . 1 . . . A 538 ALA C . 18115 1 13 . 1 1 3 3 ALA CA C 13 54.791 0.056 . 1 . . . A 538 ALA CA . 18115 1 14 . 1 1 3 3 ALA CB C 13 18.607 0.103 . 1 . . . A 538 ALA CB . 18115 1 15 . 1 1 3 3 ALA N N 15 127.340 0.042 . 1 . . . A 538 ALA N . 18115 1 16 . 1 1 4 4 LYS H H 1 8.006 0.005 . 1 . . . A 539 LYS H . 18115 1 17 . 1 1 4 4 LYS HA H 1 3.265 0.010 . 1 . . . A 539 LYS HA . 18115 1 18 . 1 1 4 4 LYS HB2 H 1 1.327 0.010 . 2 . . . A 539 LYS HB2 . 18115 1 19 . 1 1 4 4 LYS HB3 H 1 1.145 0.008 . 2 . . . A 539 LYS HB3 . 18115 1 20 . 1 1 4 4 LYS HG2 H 1 1.154 0.005 . 2 . . . A 539 LYS HG2 . 18115 1 21 . 1 1 4 4 LYS HG3 H 1 1.069 0.012 . 2 . . . A 539 LYS HG3 . 18115 1 22 . 1 1 4 4 LYS HD2 H 1 1.572 0.007 . 2 . . . A 539 LYS HD2 . 18115 1 23 . 1 1 4 4 LYS HD3 H 1 1.520 0.003 . 2 . . . A 539 LYS HD3 . 18115 1 24 . 1 1 4 4 LYS HE2 H 1 2.878 0.007 . 2 . . . A 539 LYS HE2 . 18115 1 25 . 1 1 4 4 LYS HE3 H 1 2.813 0.007 . 2 . . . A 539 LYS HE3 . 18115 1 26 . 1 1 4 4 LYS C C 13 177.428 0.000 . 1 . . . A 539 LYS C . 18115 1 27 . 1 1 4 4 LYS CA C 13 59.741 0.082 . 1 . . . A 539 LYS CA . 18115 1 28 . 1 1 4 4 LYS CB C 13 32.242 0.085 . 1 . . . A 539 LYS CB . 18115 1 29 . 1 1 4 4 LYS CG C 13 24.981 0.074 . 1 . . . A 539 LYS CG . 18115 1 30 . 1 1 4 4 LYS CD C 13 29.585 0.000 . 1 . . . A 539 LYS CD . 18115 1 31 . 1 1 4 4 LYS CE C 13 42.263 0.030 . 1 . . . A 539 LYS CE . 18115 1 32 . 1 1 4 4 LYS N N 15 120.439 0.056 . 1 . . . A 539 LYS N . 18115 1 33 . 1 1 5 5 ASN H H 1 7.789 0.004 . 1 . . . A 540 ASN H . 18115 1 34 . 1 1 5 5 ASN HA H 1 4.381 0.009 . 1 . . . A 540 ASN HA . 18115 1 35 . 1 1 5 5 ASN HB2 H 1 2.735 0.012 . 2 . . . A 540 ASN HB2 . 18115 1 36 . 1 1 5 5 ASN HD21 H 1 7.730 0.006 . 2 . . . A 540 ASN HD21 . 18115 1 37 . 1 1 5 5 ASN HD22 H 1 6.871 0.006 . 2 . . . A 540 ASN HD22 . 18115 1 38 . 1 1 5 5 ASN C C 13 177.598 0.000 . 1 . . . A 540 ASN C . 18115 1 39 . 1 1 5 5 ASN CA C 13 55.758 0.071 . 1 . . . A 540 ASN CA . 18115 1 40 . 1 1 5 5 ASN CB C 13 38.286 0.037 . 1 . . . A 540 ASN CB . 18115 1 41 . 1 1 5 5 ASN N N 15 117.109 0.065 . 1 . . . A 540 ASN N . 18115 1 42 . 1 1 5 5 ASN ND2 N 15 111.787 0.060 . 1 . . . A 540 ASN ND2 . 18115 1 43 . 1 1 6 6 ALA H H 1 8.209 0.006 . 1 . . . A 541 ALA H . 18115 1 44 . 1 1 6 6 ALA HA H 1 4.104 0.010 . 1 . . . A 541 ALA HA . 18115 1 45 . 1 1 6 6 ALA HB1 H 1 1.401 0.009 . 1 . . . A 541 ALA HB1 . 18115 1 46 . 1 1 6 6 ALA HB2 H 1 1.401 0.009 . 1 . . . A 541 ALA HB2 . 18115 1 47 . 1 1 6 6 ALA HB3 H 1 1.401 0.009 . 1 . . . A 541 ALA HB3 . 18115 1 48 . 1 1 6 6 ALA C C 13 180.393 0.000 . 1 . . . A 541 ALA C . 18115 1 49 . 1 1 6 6 ALA CA C 13 55.036 0.054 . 1 . . . A 541 ALA CA . 18115 1 50 . 1 1 6 6 ALA CB C 13 18.155 0.053 . 1 . . . A 541 ALA CB . 18115 1 51 . 1 1 6 6 ALA N N 15 122.489 0.026 . 1 . . . A 541 ALA N . 18115 1 52 . 1 1 7 7 LEU H H 1 7.775 0.006 . 1 . . . A 542 LEU H . 18115 1 53 . 1 1 7 7 LEU HA H 1 4.193 0.009 . 1 . . . A 542 LEU HA . 18115 1 54 . 1 1 7 7 LEU HB2 H 1 2.135 0.007 . 2 . . . A 542 LEU HB2 . 18115 1 55 . 1 1 7 7 LEU HB3 H 1 1.664 0.010 . 2 . . . A 542 LEU HB3 . 18115 1 56 . 1 1 7 7 LEU HG H 1 1.279 0.009 . 1 . . . A 542 LEU HG . 18115 1 57 . 1 1 7 7 LEU HD11 H 1 1.585 0.011 . 2 . . . A 542 LEU HD11 . 18115 1 58 . 1 1 7 7 LEU HD12 H 1 1.585 0.011 . 2 . . . A 542 LEU HD12 . 18115 1 59 . 1 1 7 7 LEU HD13 H 1 1.585 0.011 . 2 . . . A 542 LEU HD13 . 18115 1 60 . 1 1 7 7 LEU HD21 H 1 1.007 0.014 . 2 . . . A 542 LEU HD21 . 18115 1 61 . 1 1 7 7 LEU HD22 H 1 1.007 0.014 . 2 . . . A 542 LEU HD22 . 18115 1 62 . 1 1 7 7 LEU HD23 H 1 1.007 0.014 . 2 . . . A 542 LEU HD23 . 18115 1 63 . 1 1 7 7 LEU C C 13 177.015 0.000 . 1 . . . A 542 LEU C . 18115 1 64 . 1 1 7 7 LEU CA C 13 57.955 0.066 . 1 . . . A 542 LEU CA . 18115 1 65 . 1 1 7 7 LEU CB C 13 41.223 0.073 . 1 . . . A 542 LEU CB . 18115 1 66 . 1 1 7 7 LEU CG C 13 27.571 0.073 . 1 . . . A 542 LEU CG . 18115 1 67 . 1 1 7 7 LEU CD1 C 13 27.803 0.151 . 2 . . . A 542 LEU CD1 . 18115 1 68 . 1 1 7 7 LEU CD2 C 13 22.547 0.095 . 2 . . . A 542 LEU CD2 . 18115 1 69 . 1 1 7 7 LEU N N 15 120.603 0.083 . 1 . . . A 542 LEU N . 18115 1 70 . 1 1 8 8 GLU H H 1 8.418 0.006 . 1 . . . A 543 GLU H . 18115 1 71 . 1 1 8 8 GLU HA H 1 3.555 0.011 . 1 . . . A 543 GLU HA . 18115 1 72 . 1 1 8 8 GLU HB2 H 1 2.056 0.008 . 2 . . . A 543 GLU HB2 . 18115 1 73 . 1 1 8 8 GLU HG2 H 1 2.116 0.005 . 2 . . . A 543 GLU HG2 . 18115 1 74 . 1 1 8 8 GLU HG3 H 1 2.043 0.012 . 2 . . . A 543 GLU HG3 . 18115 1 75 . 1 1 8 8 GLU C C 13 177.949 0.000 . 1 . . . A 543 GLU C . 18115 1 76 . 1 1 8 8 GLU CA C 13 60.312 0.083 . 1 . . . A 543 GLU CA . 18115 1 77 . 1 1 8 8 GLU CB C 13 30.425 0.107 . 1 . . . A 543 GLU CB . 18115 1 78 . 1 1 8 8 GLU CG C 13 37.173 0.060 . 1 . . . A 543 GLU CG . 18115 1 79 . 1 1 8 8 GLU N N 15 119.550 0.026 . 1 . . . A 543 GLU N . 18115 1 80 . 1 1 9 9 SER H H 1 8.313 0.005 . 1 . . . A 544 SER H . 18115 1 81 . 1 1 9 9 SER HA H 1 4.192 0.014 . 1 . . . A 544 SER HA . 18115 1 82 . 1 1 9 9 SER HB2 H 1 3.898 0.009 . 2 . . . A 544 SER HB2 . 18115 1 83 . 1 1 9 9 SER C C 13 176.285 0.000 . 1 . . . A 544 SER C . 18115 1 84 . 1 1 9 9 SER CA C 13 61.890 0.273 . 1 . . . A 544 SER CA . 18115 1 85 . 1 1 9 9 SER CB C 13 63.000 0.162 . 1 . . . A 544 SER CB . 18115 1 86 . 1 1 9 9 SER N N 15 112.181 0.010 . 1 . . . A 544 SER N . 18115 1 87 . 1 1 10 10 TYR H H 1 7.811 0.005 . 1 . . . A 545 TYR H . 18115 1 88 . 1 1 10 10 TYR HA H 1 4.389 0.009 . 1 . . . A 545 TYR HA . 18115 1 89 . 1 1 10 10 TYR HB2 H 1 3.292 0.009 . 2 . . . A 545 TYR HB2 . 18115 1 90 . 1 1 10 10 TYR HB3 H 1 2.990 0.005 . 2 . . . A 545 TYR HB3 . 18115 1 91 . 1 1 10 10 TYR HD1 H 1 7.037 0.005 . 3 . . . A 545 TYR HD1 . 18115 1 92 . 1 1 10 10 TYR HE1 H 1 6.609 0.004 . 3 . . . A 545 TYR HE1 . 18115 1 93 . 1 1 10 10 TYR C C 13 177.193 0.000 . 1 . . . A 545 TYR C . 18115 1 94 . 1 1 10 10 TYR CA C 13 61.342 0.027 . 1 . . . A 545 TYR CA . 18115 1 95 . 1 1 10 10 TYR CB C 13 38.887 0.073 . 1 . . . A 545 TYR CB . 18115 1 96 . 1 1 10 10 TYR N N 15 122.309 0.042 . 1 . . . A 545 TYR N . 18115 1 97 . 1 1 11 11 ALA H H 1 8.456 0.007 . 1 . . . A 546 ALA H . 18115 1 98 . 1 1 11 11 ALA HA H 1 3.789 0.010 . 1 . . . A 546 ALA HA . 18115 1 99 . 1 1 11 11 ALA HB1 H 1 1.252 0.012 . 1 . . . A 546 ALA HB1 . 18115 1 100 . 1 1 11 11 ALA HB2 H 1 1.252 0.012 . 1 . . . A 546 ALA HB2 . 18115 1 101 . 1 1 11 11 ALA HB3 H 1 1.252 0.012 . 1 . . . A 546 ALA HB3 . 18115 1 102 . 1 1 11 11 ALA C C 13 179.480 0.000 . 1 . . . A 546 ALA C . 18115 1 103 . 1 1 11 11 ALA CA C 13 55.688 0.088 . 1 . . . A 546 ALA CA . 18115 1 104 . 1 1 11 11 ALA CB C 13 17.626 0.084 . 1 . . . A 546 ALA CB . 18115 1 105 . 1 1 11 11 ALA N N 15 120.404 0.084 . 1 . . . A 546 ALA N . 18115 1 106 . 1 1 12 12 PHE H H 1 8.430 0.005 . 1 . . . A 547 PHE H . 18115 1 107 . 1 1 12 12 PHE HA H 1 4.145 0.015 . 1 . . . A 547 PHE HA . 18115 1 108 . 1 1 12 12 PHE HB2 H 1 3.137 0.005 . 2 . . . A 547 PHE HB2 . 18115 1 109 . 1 1 12 12 PHE HD1 H 1 7.280 0.011 . 3 . . . A 547 PHE HD1 . 18115 1 110 . 1 1 12 12 PHE HE1 H 1 7.260 0.007 . 3 . . . A 547 PHE HE1 . 18115 1 111 . 1 1 12 12 PHE C C 13 179.133 0.000 . 1 . . . A 547 PHE C . 18115 1 112 . 1 1 12 12 PHE CA C 13 61.413 0.070 . 1 . . . A 547 PHE CA . 18115 1 113 . 1 1 12 12 PHE CB C 13 38.280 0.097 . 1 . . . A 547 PHE CB . 18115 1 114 . 1 1 12 12 PHE N N 15 116.158 0.013 . 1 . . . A 547 PHE N . 18115 1 115 . 1 1 13 13 ASN H H 1 8.654 0.006 . 1 . . . A 548 ASN H . 18115 1 116 . 1 1 13 13 ASN HA H 1 4.419 0.012 . 1 . . . A 548 ASN HA . 18115 1 117 . 1 1 13 13 ASN HB2 H 1 2.992 0.008 . 2 . . . A 548 ASN HB2 . 18115 1 118 . 1 1 13 13 ASN HB3 H 1 2.693 0.011 . 2 . . . A 548 ASN HB3 . 18115 1 119 . 1 1 13 13 ASN HD21 H 1 7.507 0.006 . 2 . . . A 548 ASN HD21 . 18115 1 120 . 1 1 13 13 ASN HD22 H 1 6.894 0.003 . 2 . . . A 548 ASN HD22 . 18115 1 121 . 1 1 13 13 ASN C C 13 178.326 0.000 . 1 . . . A 548 ASN C . 18115 1 122 . 1 1 13 13 ASN CA C 13 55.952 0.144 . 1 . . . A 548 ASN CA . 18115 1 123 . 1 1 13 13 ASN CB C 13 37.954 0.139 . 1 . . . A 548 ASN CB . 18115 1 124 . 1 1 13 13 ASN N N 15 120.231 0.014 . 1 . . . A 548 ASN N . 18115 1 125 . 1 1 13 13 ASN ND2 N 15 111.605 0.026 . 1 . . . A 548 ASN ND2 . 18115 1 126 . 1 1 14 14 MET H H 1 8.331 0.005 . 1 . . . A 549 MET H . 18115 1 127 . 1 1 14 14 MET HA H 1 4.278 0.007 . 1 . . . A 549 MET HA . 18115 1 128 . 1 1 14 14 MET HB2 H 1 1.873 0.007 . 2 . . . A 549 MET HB2 . 18115 1 129 . 1 1 14 14 MET HB3 H 1 1.534 0.008 . 2 . . . A 549 MET HB3 . 18115 1 130 . 1 1 14 14 MET HG2 H 1 2.083 0.007 . 2 . . . A 549 MET HG2 . 18115 1 131 . 1 1 14 14 MET HG3 H 1 1.911 0.009 . 2 . . . A 549 MET HG3 . 18115 1 132 . 1 1 14 14 MET HE1 H 1 1.775 0.014 . 1 . . . A 549 MET HE1 . 18115 1 133 . 1 1 14 14 MET HE2 H 1 1.775 0.014 . 1 . . . A 549 MET HE2 . 18115 1 134 . 1 1 14 14 MET HE3 H 1 1.775 0.014 . 1 . . . A 549 MET HE3 . 18115 1 135 . 1 1 14 14 MET C C 13 176.929 0.000 . 1 . . . A 549 MET C . 18115 1 136 . 1 1 14 14 MET CA C 13 57.182 0.075 . 1 . . . A 549 MET CA . 18115 1 137 . 1 1 14 14 MET CB C 13 32.998 0.096 . 1 . . . A 549 MET CB . 18115 1 138 . 1 1 14 14 MET CG C 13 33.148 0.074 . 1 . . . A 549 MET CG . 18115 1 139 . 1 1 14 14 MET CE C 13 18.728 0.031 . 1 . . . A 549 MET CE . 18115 1 140 . 1 1 14 14 MET N N 15 121.990 0.040 . 1 . . . A 549 MET N . 18115 1 141 . 1 1 15 15 LYS H H 1 7.731 0.005 . 1 . . . A 550 LYS H . 18115 1 142 . 1 1 15 15 LYS HA H 1 3.715 0.013 . 1 . . . A 550 LYS HA . 18115 1 143 . 1 1 15 15 LYS HB2 H 1 1.803 0.009 . 2 . . . A 550 LYS HB2 . 18115 1 144 . 1 1 15 15 LYS HB3 H 1 1.705 0.013 . 2 . . . A 550 LYS HB3 . 18115 1 145 . 1 1 15 15 LYS HG2 H 1 1.347 0.014 . 2 . . . A 550 LYS HG2 . 18115 1 146 . 1 1 15 15 LYS HG3 H 1 1.189 0.005 . 2 . . . A 550 LYS HG3 . 18115 1 147 . 1 1 15 15 LYS HD2 H 1 1.474 0.009 . 2 . . . A 550 LYS HD2 . 18115 1 148 . 1 1 15 15 LYS HE2 H 1 2.809 0.009 . 2 . . . A 550 LYS HE2 . 18115 1 149 . 1 1 15 15 LYS C C 13 177.879 0.000 . 1 . . . A 550 LYS C . 18115 1 150 . 1 1 15 15 LYS CA C 13 59.971 0.100 . 1 . . . A 550 LYS CA . 18115 1 151 . 1 1 15 15 LYS CB C 13 32.810 0.076 . 1 . . . A 550 LYS CB . 18115 1 152 . 1 1 15 15 LYS CG C 13 24.962 0.011 . 1 . . . A 550 LYS CG . 18115 1 153 . 1 1 15 15 LYS CD C 13 30.102 0.070 . 1 . . . A 550 LYS CD . 18115 1 154 . 1 1 15 15 LYS CE C 13 41.865 0.117 . 1 . . . A 550 LYS CE . 18115 1 155 . 1 1 15 15 LYS N N 15 119.946 0.052 . 1 . . . A 550 LYS N . 18115 1 156 . 1 1 16 16 SER H H 1 7.766 0.007 . 1 . . . A 551 SER H . 18115 1 157 . 1 1 16 16 SER HA H 1 4.093 0.010 . 1 . . . A 551 SER HA . 18115 1 158 . 1 1 16 16 SER HB2 H 1 3.824 0.006 . 2 . . . A 551 SER HB2 . 18115 1 159 . 1 1 16 16 SER C C 13 177.031 0.000 . 1 . . . A 551 SER C . 18115 1 160 . 1 1 16 16 SER CA C 13 61.173 0.085 . 1 . . . A 551 SER CA . 18115 1 161 . 1 1 16 16 SER CB C 13 63.007 0.035 . 1 . . . A 551 SER CB . 18115 1 162 . 1 1 16 16 SER N N 15 111.477 0.011 . 1 . . . A 551 SER N . 18115 1 163 . 1 1 17 17 ALA H H 1 8.089 0.005 . 1 . . . A 552 ALA H . 18115 1 164 . 1 1 17 17 ALA HA H 1 4.083 0.008 . 1 . . . A 552 ALA HA . 18115 1 165 . 1 1 17 17 ALA HB1 H 1 1.446 0.006 . 1 . . . A 552 ALA HB1 . 18115 1 166 . 1 1 17 17 ALA HB2 H 1 1.446 0.006 . 1 . . . A 552 ALA HB2 . 18115 1 167 . 1 1 17 17 ALA HB3 H 1 1.446 0.006 . 1 . . . A 552 ALA HB3 . 18115 1 168 . 1 1 17 17 ALA C C 13 180.384 0.000 . 1 . . . A 552 ALA C . 18115 1 169 . 1 1 17 17 ALA CA C 13 55.288 0.123 . 1 . . . A 552 ALA CA . 18115 1 170 . 1 1 17 17 ALA CB C 13 18.165 0.083 . 1 . . . A 552 ALA CB . 18115 1 171 . 1 1 17 17 ALA N N 15 123.689 0.029 . 1 . . . A 552 ALA N . 18115 1 172 . 1 1 18 18 VAL H H 1 7.560 0.007 . 1 . . . A 553 VAL H . 18115 1 173 . 1 1 18 18 VAL HA H 1 4.016 0.009 . 1 . . . A 553 VAL HA . 18115 1 174 . 1 1 18 18 VAL HB H 1 2.148 0.008 . 1 . . . A 553 VAL HB . 18115 1 175 . 1 1 18 18 VAL HG11 H 1 0.920 0.005 . 2 . . . A 553 VAL HG11 . 18115 1 176 . 1 1 18 18 VAL HG12 H 1 0.920 0.005 . 2 . . . A 553 VAL HG12 . 18115 1 177 . 1 1 18 18 VAL HG13 H 1 0.920 0.005 . 2 . . . A 553 VAL HG13 . 18115 1 178 . 1 1 18 18 VAL HG21 H 1 0.998 0.015 . 2 . . . A 553 VAL HG21 . 18115 1 179 . 1 1 18 18 VAL HG22 H 1 0.998 0.015 . 2 . . . A 553 VAL HG22 . 18115 1 180 . 1 1 18 18 VAL HG23 H 1 0.998 0.015 . 2 . . . A 553 VAL HG23 . 18115 1 181 . 1 1 18 18 VAL C C 13 176.352 0.000 . 1 . . . A 553 VAL C . 18115 1 182 . 1 1 18 18 VAL CA C 13 63.758 0.056 . 1 . . . A 553 VAL CA . 18115 1 183 . 1 1 18 18 VAL CB C 13 31.652 0.095 . 1 . . . A 553 VAL CB . 18115 1 184 . 1 1 18 18 VAL CG1 C 13 21.919 0.098 . 2 . . . A 553 VAL CG1 . 18115 1 185 . 1 1 18 18 VAL CG2 C 13 21.200 0.073 . 2 . . . A 553 VAL CG2 . 18115 1 186 . 1 1 18 18 VAL N N 15 109.294 0.011 . 1 . . . A 553 VAL N . 18115 1 187 . 1 1 19 19 GLU H H 1 7.389 0.007 . 1 . . . A 554 GLU H . 18115 1 188 . 1 1 19 19 GLU HA H 1 4.215 0.013 . 1 . . . A 554 GLU HA . 18115 1 189 . 1 1 19 19 GLU HB2 H 1 2.058 0.009 . 2 . . . A 554 GLU HB2 . 18115 1 190 . 1 1 19 19 GLU HB3 H 1 1.910 0.012 . 2 . . . A 554 GLU HB3 . 18115 1 191 . 1 1 19 19 GLU HG2 H 1 2.496 0.006 . 2 . . . A 554 GLU HG2 . 18115 1 192 . 1 1 19 19 GLU HG3 H 1 2.057 0.008 . 2 . . . A 554 GLU HG3 . 18115 1 193 . 1 1 19 19 GLU C C 13 176.794 0.000 . 1 . . . A 554 GLU C . 18115 1 194 . 1 1 19 19 GLU CA C 13 56.744 0.089 . 1 . . . A 554 GLU CA . 18115 1 195 . 1 1 19 19 GLU CB C 13 30.159 0.086 . 1 . . . A 554 GLU CB . 18115 1 196 . 1 1 19 19 GLU CG C 13 37.122 0.091 . 1 . . . A 554 GLU CG . 18115 1 197 . 1 1 19 19 GLU N N 15 118.414 0.022 . 1 . . . A 554 GLU N . 18115 1 198 . 1 1 20 20 ASP H H 1 7.224 0.006 . 1 . . . A 555 ASP H . 18115 1 199 . 1 1 20 20 ASP HA H 1 4.367 0.011 . 1 . . . A 555 ASP HA . 18115 1 200 . 1 1 20 20 ASP HB2 H 1 2.747 0.010 . 2 . . . A 555 ASP HB2 . 18115 1 201 . 1 1 20 20 ASP HB3 H 1 2.675 0.011 . 2 . . . A 555 ASP HB3 . 18115 1 202 . 1 1 20 20 ASP C C 13 178.171 0.000 . 1 . . . A 555 ASP C . 18115 1 203 . 1 1 20 20 ASP CA C 13 55.867 0.272 . 1 . . . A 555 ASP CA . 18115 1 204 . 1 1 20 20 ASP CB C 13 42.874 0.074 . 1 . . . A 555 ASP CB . 18115 1 205 . 1 1 20 20 ASP N N 15 120.735 0.029 . 1 . . . A 555 ASP N . 18115 1 206 . 1 1 21 21 GLU H H 1 9.007 0.005 . 1 . . . A 556 GLU H . 18115 1 207 . 1 1 21 21 GLU HA H 1 3.981 0.013 . 1 . . . A 556 GLU HA . 18115 1 208 . 1 1 21 21 GLU HB2 H 1 1.998 0.011 . 2 . . . A 556 GLU HB2 . 18115 1 209 . 1 1 21 21 GLU HG2 H 1 2.297 0.014 . 2 . . . A 556 GLU HG2 . 18115 1 210 . 1 1 21 21 GLU C C 13 178.691 0.000 . 1 . . . A 556 GLU C . 18115 1 211 . 1 1 21 21 GLU CA C 13 59.144 0.114 . 1 . . . A 556 GLU CA . 18115 1 212 . 1 1 21 21 GLU CB C 13 29.550 0.176 . 1 . . . A 556 GLU CB . 18115 1 213 . 1 1 21 21 GLU CG C 13 36.276 0.161 . 1 . . . A 556 GLU CG . 18115 1 214 . 1 1 21 21 GLU N N 15 126.927 0.021 . 1 . . . A 556 GLU N . 18115 1 215 . 1 1 22 22 GLY H H 1 9.031 0.005 . 1 . . . A 557 GLY H . 18115 1 216 . 1 1 22 22 GLY HA2 H 1 3.913 0.005 . 2 . . . A 557 GLY HA2 . 18115 1 217 . 1 1 22 22 GLY HA3 H 1 3.767 0.009 . 2 . . . A 557 GLY HA3 . 18115 1 218 . 1 1 22 22 GLY C C 13 175.344 0.000 . 1 . . . A 557 GLY C . 18115 1 219 . 1 1 22 22 GLY CA C 13 46.408 0.064 . 1 . . . A 557 GLY CA . 18115 1 220 . 1 1 22 22 GLY N N 15 108.255 0.017 . 1 . . . A 557 GLY N . 18115 1 221 . 1 1 23 23 LEU H H 1 7.606 0.006 . 1 . . . A 558 LEU H . 18115 1 222 . 1 1 23 23 LEU HA H 1 4.346 0.007 . 1 . . . A 558 LEU HA . 18115 1 223 . 1 1 23 23 LEU HB2 H 1 1.751 0.012 . 2 . . . A 558 LEU HB2 . 18115 1 224 . 1 1 23 23 LEU HB3 H 1 1.649 0.004 . 2 . . . A 558 LEU HB3 . 18115 1 225 . 1 1 23 23 LEU HG H 1 1.652 0.005 . 1 . . . A 558 LEU HG . 18115 1 226 . 1 1 23 23 LEU HD11 H 1 0.917 0.014 . 2 . . . A 558 LEU HD11 . 18115 1 227 . 1 1 23 23 LEU HD12 H 1 0.917 0.014 . 2 . . . A 558 LEU HD12 . 18115 1 228 . 1 1 23 23 LEU HD13 H 1 0.917 0.014 . 2 . . . A 558 LEU HD13 . 18115 1 229 . 1 1 23 23 LEU HD21 H 1 0.816 0.008 . 2 . . . A 558 LEU HD21 . 18115 1 230 . 1 1 23 23 LEU HD22 H 1 0.816 0.008 . 2 . . . A 558 LEU HD22 . 18115 1 231 . 1 1 23 23 LEU HD23 H 1 0.816 0.008 . 2 . . . A 558 LEU HD23 . 18115 1 232 . 1 1 23 23 LEU C C 13 177.893 0.000 . 1 . . . A 558 LEU C . 18115 1 233 . 1 1 23 23 LEU CA C 13 54.920 0.059 . 1 . . . A 558 LEU CA . 18115 1 234 . 1 1 23 23 LEU CB C 13 42.386 0.162 . 1 . . . A 558 LEU CB . 18115 1 235 . 1 1 23 23 LEU CG C 13 27.402 0.089 . 1 . . . A 558 LEU CG . 18115 1 236 . 1 1 23 23 LEU CD1 C 13 25.521 0.112 . 2 . . . A 558 LEU CD1 . 18115 1 237 . 1 1 23 23 LEU CD2 C 13 23.897 0.080 . 2 . . . A 558 LEU CD2 . 18115 1 238 . 1 1 23 23 LEU N N 15 119.463 0.022 . 1 . . . A 558 LEU N . 18115 1 239 . 1 1 24 24 LYS H H 1 7.572 0.006 . 1 . . . A 559 LYS H . 18115 1 240 . 1 1 24 24 LYS HA H 1 4.072 0.009 . 1 . . . A 559 LYS HA . 18115 1 241 . 1 1 24 24 LYS HB2 H 1 1.799 0.005 . 2 . . . A 559 LYS HB2 . 18115 1 242 . 1 1 24 24 LYS HG2 H 1 1.454 0.006 . 2 . . . A 559 LYS HG2 . 18115 1 243 . 1 1 24 24 LYS HG3 H 1 1.365 0.009 . 2 . . . A 559 LYS HG3 . 18115 1 244 . 1 1 24 24 LYS HD2 H 1 1.559 0.000 . 2 . . . A 559 LYS HD2 . 18115 1 245 . 1 1 24 24 LYS HE2 H 1 2.858 0.000 . 2 . . . A 559 LYS HE2 . 18115 1 246 . 1 1 24 24 LYS C C 13 177.830 0.000 . 1 . . . A 559 LYS C . 18115 1 247 . 1 1 24 24 LYS CA C 13 58.477 0.073 . 1 . . . A 559 LYS CA . 18115 1 248 . 1 1 24 24 LYS CB C 13 32.359 0.139 . 1 . . . A 559 LYS CB . 18115 1 249 . 1 1 24 24 LYS CG C 13 25.262 0.124 . 1 . . . A 559 LYS CG . 18115 1 250 . 1 1 24 24 LYS CD C 13 29.267 0.150 . 1 . . . A 559 LYS CD . 18115 1 251 . 1 1 24 24 LYS CE C 13 42.077 0.000 . 1 . . . A 559 LYS CE . 18115 1 252 . 1 1 24 24 LYS N N 15 120.994 0.047 . 1 . . . A 559 LYS N . 18115 1 253 . 1 1 25 25 GLY H H 1 8.770 0.005 . 1 . . . A 560 GLY H . 18115 1 254 . 1 1 25 25 GLY HA2 H 1 4.056 0.005 . 2 . . . A 560 GLY HA2 . 18115 1 255 . 1 1 25 25 GLY HA3 H 1 3.827 0.008 . 2 . . . A 560 GLY HA3 . 18115 1 256 . 1 1 25 25 GLY C C 13 174.451 0.000 . 1 . . . A 560 GLY C . 18115 1 257 . 1 1 25 25 GLY CA C 13 45.586 0.091 . 1 . . . A 560 GLY CA . 18115 1 258 . 1 1 25 25 GLY N N 15 111.895 0.011 . 1 . . . A 560 GLY N . 18115 1 259 . 1 1 26 26 LYS H H 1 8.116 0.009 . 1 . . . A 561 LYS H . 18115 1 260 . 1 1 26 26 LYS HA H 1 4.336 0.008 . 1 . . . A 561 LYS HA . 18115 1 261 . 1 1 26 26 LYS HB2 H 1 1.909 0.007 . 2 . . . A 561 LYS HB2 . 18115 1 262 . 1 1 26 26 LYS HB3 H 1 1.692 0.007 . 2 . . . A 561 LYS HB3 . 18115 1 263 . 1 1 26 26 LYS HG2 H 1 1.361 0.012 . 2 . . . A 561 LYS HG2 . 18115 1 264 . 1 1 26 26 LYS HG3 H 1 1.292 0.006 . 2 . . . A 561 LYS HG3 . 18115 1 265 . 1 1 26 26 LYS HD2 H 1 1.651 0.004 . 2 . . . A 561 LYS HD2 . 18115 1 266 . 1 1 26 26 LYS HE2 H 1 2.919 0.013 . 2 . . . A 561 LYS HE2 . 18115 1 267 . 1 1 26 26 LYS C C 13 175.860 0.000 . 1 . . . A 561 LYS C . 18115 1 268 . 1 1 26 26 LYS CA C 13 56.866 0.066 . 1 . . . A 561 LYS CA . 18115 1 269 . 1 1 26 26 LYS CB C 13 34.201 0.101 . 1 . . . A 561 LYS CB . 18115 1 270 . 1 1 26 26 LYS CG C 13 25.314 0.095 . 1 . . . A 561 LYS CG . 18115 1 271 . 1 1 26 26 LYS CD C 13 29.318 0.110 . 1 . . . A 561 LYS CD . 18115 1 272 . 1 1 26 26 LYS CE C 13 42.433 0.143 . 1 . . . A 561 LYS CE . 18115 1 273 . 1 1 26 26 LYS N N 15 118.925 0.053 . 1 . . . A 561 LYS N . 18115 1 274 . 1 1 27 27 ILE H H 1 7.430 0.006 . 1 . . . A 562 ILE H . 18115 1 275 . 1 1 27 27 ILE HA H 1 4.498 0.008 . 1 . . . A 562 ILE HA . 18115 1 276 . 1 1 27 27 ILE HB H 1 1.685 0.013 . 1 . . . A 562 ILE HB . 18115 1 277 . 1 1 27 27 ILE HG12 H 1 1.563 0.009 . 2 . . . A 562 ILE HG12 . 18115 1 278 . 1 1 27 27 ILE HG13 H 1 1.277 0.010 . 2 . . . A 562 ILE HG13 . 18115 1 279 . 1 1 27 27 ILE HG21 H 1 0.867 0.011 . 1 . . . A 562 ILE HG21 . 18115 1 280 . 1 1 27 27 ILE HG22 H 1 0.867 0.011 . 1 . . . A 562 ILE HG22 . 18115 1 281 . 1 1 27 27 ILE HG23 H 1 0.867 0.011 . 1 . . . A 562 ILE HG23 . 18115 1 282 . 1 1 27 27 ILE HD11 H 1 0.703 0.007 . 1 . . . A 562 ILE HD11 . 18115 1 283 . 1 1 27 27 ILE HD12 H 1 0.703 0.007 . 1 . . . A 562 ILE HD12 . 18115 1 284 . 1 1 27 27 ILE HD13 H 1 0.703 0.007 . 1 . . . A 562 ILE HD13 . 18115 1 285 . 1 1 27 27 ILE C C 13 174.838 0.000 . 1 . . . A 562 ILE C . 18115 1 286 . 1 1 27 27 ILE CA C 13 59.388 0.041 . 1 . . . A 562 ILE CA . 18115 1 287 . 1 1 27 27 ILE CB C 13 40.669 0.116 . 1 . . . A 562 ILE CB . 18115 1 288 . 1 1 27 27 ILE CG1 C 13 27.889 0.159 . 1 . . . A 562 ILE CG1 . 18115 1 289 . 1 1 27 27 ILE CG2 C 13 16.937 0.065 . 1 . . . A 562 ILE CG2 . 18115 1 290 . 1 1 27 27 ILE CD1 C 13 14.443 0.054 . 1 . . . A 562 ILE CD1 . 18115 1 291 . 1 1 27 27 ILE N N 15 116.463 0.028 . 1 . . . A 562 ILE N . 18115 1 292 . 1 1 28 28 SER H H 1 9.375 0.008 . 1 . . . A 563 SER H . 18115 1 293 . 1 1 28 28 SER HA H 1 4.404 0.015 . 1 . . . A 563 SER HA . 18115 1 294 . 1 1 28 28 SER HB2 H 1 4.254 0.007 . 2 . . . A 563 SER HB2 . 18115 1 295 . 1 1 28 28 SER HB3 H 1 3.987 0.012 . 2 . . . A 563 SER HB3 . 18115 1 296 . 1 1 28 28 SER C C 13 174.870 0.000 . 1 . . . A 563 SER C . 18115 1 297 . 1 1 28 28 SER CA C 13 57.432 0.044 . 1 . . . A 563 SER CA . 18115 1 298 . 1 1 28 28 SER CB C 13 64.793 0.049 . 1 . . . A 563 SER CB . 18115 1 299 . 1 1 28 28 SER N N 15 124.501 0.022 . 1 . . . A 563 SER N . 18115 1 300 . 1 1 29 29 GLU H H 1 8.970 0.008 . 1 . . . A 564 GLU H . 18115 1 301 . 1 1 29 29 GLU HA H 1 3.900 0.011 . 1 . . . A 564 GLU HA . 18115 1 302 . 1 1 29 29 GLU HB2 H 1 1.989 0.008 . 2 . . . A 564 GLU HB2 . 18115 1 303 . 1 1 29 29 GLU HG2 H 1 2.303 0.010 . 2 . . . A 564 GLU HG2 . 18115 1 304 . 1 1 29 29 GLU C C 13 179.396 0.000 . 1 . . . A 564 GLU C . 18115 1 305 . 1 1 29 29 GLU CA C 13 59.714 0.065 . 1 . . . A 564 GLU CA . 18115 1 306 . 1 1 29 29 GLU CB C 13 29.218 0.202 . 1 . . . A 564 GLU CB . 18115 1 307 . 1 1 29 29 GLU CG C 13 36.326 0.074 . 1 . . . A 564 GLU CG . 18115 1 308 . 1 1 29 29 GLU N N 15 122.048 0.032 . 1 . . . A 564 GLU N . 18115 1 309 . 1 1 30 30 ALA H H 1 8.465 0.006 . 1 . . . A 565 ALA H . 18115 1 310 . 1 1 30 30 ALA HA H 1 4.046 0.014 . 1 . . . A 565 ALA HA . 18115 1 311 . 1 1 30 30 ALA HB1 H 1 1.321 0.006 . 1 . . . A 565 ALA HB1 . 18115 1 312 . 1 1 30 30 ALA HB2 H 1 1.321 0.006 . 1 . . . A 565 ALA HB2 . 18115 1 313 . 1 1 30 30 ALA HB3 H 1 1.321 0.006 . 1 . . . A 565 ALA HB3 . 18115 1 314 . 1 1 30 30 ALA C C 13 180.524 0.000 . 1 . . . A 565 ALA C . 18115 1 315 . 1 1 30 30 ALA CA C 13 55.038 0.052 . 1 . . . A 565 ALA CA . 18115 1 316 . 1 1 30 30 ALA CB C 13 18.463 0.094 . 1 . . . A 565 ALA CB . 18115 1 317 . 1 1 30 30 ALA N N 15 120.829 0.030 . 1 . . . A 565 ALA N . 18115 1 318 . 1 1 31 31 ASP H H 1 7.835 0.005 . 1 . . . A 566 ASP H . 18115 1 319 . 1 1 31 31 ASP HA H 1 4.439 0.009 . 1 . . . A 566 ASP HA . 18115 1 320 . 1 1 31 31 ASP HB2 H 1 2.793 0.009 . 2 . . . A 566 ASP HB2 . 18115 1 321 . 1 1 31 31 ASP HB3 H 1 2.419 0.006 . 2 . . . A 566 ASP HB3 . 18115 1 322 . 1 1 31 31 ASP C C 13 177.738 0.000 . 1 . . . A 566 ASP C . 18115 1 323 . 1 1 31 31 ASP CA C 13 57.306 0.090 . 1 . . . A 566 ASP CA . 18115 1 324 . 1 1 31 31 ASP CB C 13 39.955 0.101 . 1 . . . A 566 ASP CB . 18115 1 325 . 1 1 31 31 ASP N N 15 121.111 0.050 . 1 . . . A 566 ASP N . 18115 1 326 . 1 1 32 32 LYS H H 1 8.379 0.007 . 1 . . . A 567 LYS H . 18115 1 327 . 1 1 32 32 LYS HA H 1 3.593 0.010 . 1 . . . A 567 LYS HA . 18115 1 328 . 1 1 32 32 LYS HB2 H 1 1.866 0.011 . 2 . . . A 567 LYS HB2 . 18115 1 329 . 1 1 32 32 LYS HB3 H 1 1.675 0.011 . 2 . . . A 567 LYS HB3 . 18115 1 330 . 1 1 32 32 LYS HG2 H 1 1.251 0.015 . 2 . . . A 567 LYS HG2 . 18115 1 331 . 1 1 32 32 LYS HG3 H 1 1.211 0.010 . 2 . . . A 567 LYS HG3 . 18115 1 332 . 1 1 32 32 LYS HD2 H 1 1.621 0.013 . 2 . . . A 567 LYS HD2 . 18115 1 333 . 1 1 32 32 LYS HE2 H 1 2.796 0.010 . 2 . . . A 567 LYS HE2 . 18115 1 334 . 1 1 32 32 LYS C C 13 177.700 0.000 . 1 . . . A 567 LYS C . 18115 1 335 . 1 1 32 32 LYS CA C 13 60.553 0.075 . 1 . . . A 567 LYS CA . 18115 1 336 . 1 1 32 32 LYS CB C 13 32.596 0.106 . 1 . . . A 567 LYS CB . 18115 1 337 . 1 1 32 32 LYS CG C 13 25.212 0.115 . 1 . . . A 567 LYS CG . 18115 1 338 . 1 1 32 32 LYS CD C 13 29.928 0.111 . 1 . . . A 567 LYS CD . 18115 1 339 . 1 1 32 32 LYS CE C 13 41.945 0.064 . 1 . . . A 567 LYS CE . 18115 1 340 . 1 1 32 32 LYS N N 15 121.278 0.035 . 1 . . . A 567 LYS N . 18115 1 341 . 1 1 33 33 LYS H H 1 7.846 0.005 . 1 . . . A 568 LYS H . 18115 1 342 . 1 1 33 33 LYS HA H 1 3.839 0.016 . 1 . . . A 568 LYS HA . 18115 1 343 . 1 1 33 33 LYS HB2 H 1 1.815 0.005 . 2 . . . A 568 LYS HB2 . 18115 1 344 . 1 1 33 33 LYS HG2 H 1 1.399 0.005 . 2 . . . A 568 LYS HG2 . 18115 1 345 . 1 1 33 33 LYS HD2 H 1 1.644 0.004 . 2 . . . A 568 LYS HD2 . 18115 1 346 . 1 1 33 33 LYS HE2 H 1 2.891 0.000 . 2 . . . A 568 LYS HE2 . 18115 1 347 . 1 1 33 33 LYS C C 13 177.391 0.000 . 1 . . . A 568 LYS C . 18115 1 348 . 1 1 33 33 LYS CA C 13 59.407 0.054 . 1 . . . A 568 LYS CA . 18115 1 349 . 1 1 33 33 LYS CB C 13 32.481 0.138 . 1 . . . A 568 LYS CB . 18115 1 350 . 1 1 33 33 LYS CG C 13 25.249 0.043 . 1 . . . A 568 LYS CG . 18115 1 351 . 1 1 33 33 LYS CD C 13 29.430 0.053 . 1 . . . A 568 LYS CD . 18115 1 352 . 1 1 33 33 LYS CE C 13 42.445 0.000 . 1 . . . A 568 LYS CE . 18115 1 353 . 1 1 33 33 LYS N N 15 117.531 0.022 . 1 . . . A 568 LYS N . 18115 1 354 . 1 1 34 34 LYS H H 1 7.647 0.006 . 1 . . . A 569 LYS H . 18115 1 355 . 1 1 34 34 LYS HA H 1 3.999 0.009 . 1 . . . A 569 LYS HA . 18115 1 356 . 1 1 34 34 LYS HB2 H 1 1.971 0.010 . 2 . . . A 569 LYS HB2 . 18115 1 357 . 1 1 34 34 LYS HB3 H 1 1.792 0.008 . 2 . . . A 569 LYS HB3 . 18115 1 358 . 1 1 34 34 LYS HG2 H 1 1.564 0.012 . 2 . . . A 569 LYS HG2 . 18115 1 359 . 1 1 34 34 LYS HG3 H 1 1.294 0.008 . 2 . . . A 569 LYS HG3 . 18115 1 360 . 1 1 34 34 LYS HD2 H 1 1.685 0.005 . 2 . . . A 569 LYS HD2 . 18115 1 361 . 1 1 34 34 LYS HE2 H 1 2.901 0.005 . 2 . . . A 569 LYS HE2 . 18115 1 362 . 1 1 34 34 LYS C C 13 180.064 0.000 . 1 . . . A 569 LYS C . 18115 1 363 . 1 1 34 34 LYS CA C 13 59.953 0.082 . 1 . . . A 569 LYS CA . 18115 1 364 . 1 1 34 34 LYS CB C 13 32.854 0.133 . 1 . . . A 569 LYS CB . 18115 1 365 . 1 1 34 34 LYS CG C 13 25.525 0.104 . 1 . . . A 569 LYS CG . 18115 1 366 . 1 1 34 34 LYS CD C 13 29.797 0.117 . 1 . . . A 569 LYS CD . 18115 1 367 . 1 1 34 34 LYS CE C 13 42.254 0.189 . 1 . . . A 569 LYS CE . 18115 1 368 . 1 1 34 34 LYS N N 15 118.376 0.012 . 1 . . . A 569 LYS N . 18115 1 369 . 1 1 35 35 VAL H H 1 7.638 0.004 . 1 . . . A 570 VAL H . 18115 1 370 . 1 1 35 35 VAL HA H 1 3.474 0.008 . 1 . . . A 570 VAL HA . 18115 1 371 . 1 1 35 35 VAL HB H 1 2.147 0.009 . 1 . . . A 570 VAL HB . 18115 1 372 . 1 1 35 35 VAL HG11 H 1 1.008 0.011 . 2 . . . A 570 VAL HG11 . 18115 1 373 . 1 1 35 35 VAL HG12 H 1 1.008 0.011 . 2 . . . A 570 VAL HG12 . 18115 1 374 . 1 1 35 35 VAL HG13 H 1 1.008 0.011 . 2 . . . A 570 VAL HG13 . 18115 1 375 . 1 1 35 35 VAL HG21 H 1 0.809 0.009 . 2 . . . A 570 VAL HG21 . 18115 1 376 . 1 1 35 35 VAL HG22 H 1 0.809 0.009 . 2 . . . A 570 VAL HG22 . 18115 1 377 . 1 1 35 35 VAL HG23 H 1 0.809 0.009 . 2 . . . A 570 VAL HG23 . 18115 1 378 . 1 1 35 35 VAL C C 13 178.019 0.000 . 1 . . . A 570 VAL C . 18115 1 379 . 1 1 35 35 VAL CA C 13 66.952 0.082 . 1 . . . A 570 VAL CA . 18115 1 380 . 1 1 35 35 VAL CB C 13 32.533 0.097 . 1 . . . A 570 VAL CB . 18115 1 381 . 1 1 35 35 VAL CG1 C 13 23.302 0.094 . 2 . . . A 570 VAL CG1 . 18115 1 382 . 1 1 35 35 VAL CG2 C 13 22.263 0.072 . 2 . . . A 570 VAL CG2 . 18115 1 383 . 1 1 35 35 VAL N N 15 118.353 0.023 . 1 . . . A 570 VAL N . 18115 1 384 . 1 1 36 36 LEU H H 1 8.693 0.006 . 1 . . . A 571 LEU H . 18115 1 385 . 1 1 36 36 LEU HA H 1 3.790 0.014 . 1 . . . A 571 LEU HA . 18115 1 386 . 1 1 36 36 LEU HB2 H 1 1.844 0.011 . 2 . . . A 571 LEU HB2 . 18115 1 387 . 1 1 36 36 LEU HB3 H 1 1.422 0.009 . 2 . . . A 571 LEU HB3 . 18115 1 388 . 1 1 36 36 LEU HG H 1 0.780 0.013 . 1 . . . A 571 LEU HG . 18115 1 389 . 1 1 36 36 LEU HD11 H 1 1.758 0.011 . 2 . . . A 571 LEU HD11 . 18115 1 390 . 1 1 36 36 LEU HD12 H 1 1.758 0.011 . 2 . . . A 571 LEU HD12 . 18115 1 391 . 1 1 36 36 LEU HD13 H 1 1.758 0.011 . 2 . . . A 571 LEU HD13 . 18115 1 392 . 1 1 36 36 LEU HD21 H 1 0.807 0.008 . 2 . . . A 571 LEU HD21 . 18115 1 393 . 1 1 36 36 LEU HD22 H 1 0.807 0.008 . 2 . . . A 571 LEU HD22 . 18115 1 394 . 1 1 36 36 LEU HD23 H 1 0.807 0.008 . 2 . . . A 571 LEU HD23 . 18115 1 395 . 1 1 36 36 LEU C C 13 180.444 0.000 . 1 . . . A 571 LEU C . 18115 1 396 . 1 1 36 36 LEU CA C 13 58.913 0.071 . 1 . . . A 571 LEU CA . 18115 1 397 . 1 1 36 36 LEU CB C 13 41.208 0.069 . 1 . . . A 571 LEU CB . 18115 1 398 . 1 1 36 36 LEU CG C 13 25.854 0.092 . 1 . . . A 571 LEU CG . 18115 1 399 . 1 1 36 36 LEU CD1 C 13 26.842 0.092 . 2 . . . A 571 LEU CD1 . 18115 1 400 . 1 1 36 36 LEU CD2 C 13 23.781 0.170 . 2 . . . A 571 LEU CD2 . 18115 1 401 . 1 1 36 36 LEU N N 15 120.671 0.024 . 1 . . . A 571 LEU N . 18115 1 402 . 1 1 37 37 ASP H H 1 9.265 0.005 . 1 . . . A 572 ASP H . 18115 1 403 . 1 1 37 37 ASP HA H 1 4.319 0.009 . 1 . . . A 572 ASP HA . 18115 1 404 . 1 1 37 37 ASP HB2 H 1 2.742 0.007 . 2 . . . A 572 ASP HB2 . 18115 1 405 . 1 1 37 37 ASP HB3 H 1 2.523 0.008 . 2 . . . A 572 ASP HB3 . 18115 1 406 . 1 1 37 37 ASP C C 13 179.345 0.000 . 1 . . . A 572 ASP C . 18115 1 407 . 1 1 37 37 ASP CA C 13 57.283 0.089 . 1 . . . A 572 ASP CA . 18115 1 408 . 1 1 37 37 ASP CB C 13 39.676 0.110 . 1 . . . A 572 ASP CB . 18115 1 409 . 1 1 37 37 ASP N N 15 120.071 0.022 . 1 . . . A 572 ASP N . 18115 1 410 . 1 1 38 38 LYS H H 1 7.674 0.005 . 1 . . . A 573 LYS H . 18115 1 411 . 1 1 38 38 LYS HA H 1 4.260 0.012 . 1 . . . A 573 LYS HA . 18115 1 412 . 1 1 38 38 LYS HB2 H 1 1.945 0.009 . 2 . . . A 573 LYS HB2 . 18115 1 413 . 1 1 38 38 LYS HG2 H 1 1.373 0.010 . 2 . . . A 573 LYS HG2 . 18115 1 414 . 1 1 38 38 LYS HD2 H 1 1.919 0.008 . 2 . . . A 573 LYS HD2 . 18115 1 415 . 1 1 38 38 LYS HD3 H 1 1.592 0.009 . 2 . . . A 573 LYS HD3 . 18115 1 416 . 1 1 38 38 LYS HE2 H 1 2.647 0.010 . 2 . . . A 573 LYS HE2 . 18115 1 417 . 1 1 38 38 LYS HE3 H 1 2.459 0.010 . 2 . . . A 573 LYS HE3 . 18115 1 418 . 1 1 38 38 LYS C C 13 178.856 0.000 . 1 . . . A 573 LYS C . 18115 1 419 . 1 1 38 38 LYS CA C 13 57.061 0.072 . 1 . . . A 573 LYS CA . 18115 1 420 . 1 1 38 38 LYS CB C 13 30.986 0.093 . 1 . . . A 573 LYS CB . 18115 1 421 . 1 1 38 38 LYS CG C 13 25.764 0.117 . 1 . . . A 573 LYS CG . 18115 1 422 . 1 1 38 38 LYS CD C 13 28.111 0.117 . 1 . . . A 573 LYS CD . 18115 1 423 . 1 1 38 38 LYS CE C 13 42.139 0.082 . 1 . . . A 573 LYS CE . 18115 1 424 . 1 1 38 38 LYS N N 15 121.858 0.019 . 1 . . . A 573 LYS N . 18115 1 425 . 1 1 39 39 CYS H H 1 8.818 0.005 . 1 . . . A 574 CYS H . 18115 1 426 . 1 1 39 39 CYS HA H 1 3.863 0.008 . 1 . . . A 574 CYS HA . 18115 1 427 . 1 1 39 39 CYS HB2 H 1 3.071 0.008 . 2 . . . A 574 CYS HB2 . 18115 1 428 . 1 1 39 39 CYS HB3 H 1 2.393 0.006 . 2 . . . A 574 CYS HB3 . 18115 1 429 . 1 1 39 39 CYS C C 13 176.479 0.000 . 1 . . . A 574 CYS C . 18115 1 430 . 1 1 39 39 CYS CA C 13 65.570 0.105 . 1 . . . A 574 CYS CA . 18115 1 431 . 1 1 39 39 CYS CB C 13 26.680 0.067 . 1 . . . A 574 CYS CB . 18115 1 432 . 1 1 39 39 CYS N N 15 117.635 0.022 . 1 . . . A 574 CYS N . 18115 1 433 . 1 1 40 40 GLN H H 1 8.203 0.007 . 1 . . . A 575 GLN H . 18115 1 434 . 1 1 40 40 GLN HA H 1 3.959 0.007 . 1 . . . A 575 GLN HA . 18115 1 435 . 1 1 40 40 GLN HB2 H 1 2.168 0.011 . 2 . . . A 575 GLN HB2 . 18115 1 436 . 1 1 40 40 GLN HB3 H 1 2.101 0.007 . 2 . . . A 575 GLN HB3 . 18115 1 437 . 1 1 40 40 GLN HG2 H 1 2.368 0.006 . 2 . . . A 575 GLN HG2 . 18115 1 438 . 1 1 40 40 GLN HE21 H 1 7.434 0.007 . 2 . . . A 575 GLN HE21 . 18115 1 439 . 1 1 40 40 GLN HE22 H 1 6.935 0.005 . 2 . . . A 575 GLN HE22 . 18115 1 440 . 1 1 40 40 GLN C C 13 178.023 0.000 . 1 . . . A 575 GLN C . 18115 1 441 . 1 1 40 40 GLN CA C 13 58.669 0.100 . 1 . . . A 575 GLN CA . 18115 1 442 . 1 1 40 40 GLN CB C 13 28.090 0.103 . 1 . . . A 575 GLN CB . 18115 1 443 . 1 1 40 40 GLN CG C 13 33.881 0.198 . 1 . . . A 575 GLN CG . 18115 1 444 . 1 1 40 40 GLN N N 15 118.089 0.019 . 1 . . . A 575 GLN N . 18115 1 445 . 1 1 40 40 GLN NE2 N 15 113.020 0.022 . 1 . . . A 575 GLN NE2 . 18115 1 446 . 1 1 41 41 GLU H H 1 8.074 0.005 . 1 . . . A 576 GLU H . 18115 1 447 . 1 1 41 41 GLU HA H 1 3.992 0.011 . 1 . . . A 576 GLU HA . 18115 1 448 . 1 1 41 41 GLU HB2 H 1 2.334 0.008 . 2 . . . A 576 GLU HB2 . 18115 1 449 . 1 1 41 41 GLU HB3 H 1 2.202 0.006 . 2 . . . A 576 GLU HB3 . 18115 1 450 . 1 1 41 41 GLU HG2 H 1 2.398 0.010 . 2 . . . A 576 GLU HG2 . 18115 1 451 . 1 1 41 41 GLU HG3 H 1 2.061 0.005 . 2 . . . A 576 GLU HG3 . 18115 1 452 . 1 1 41 41 GLU C C 13 179.586 0.000 . 1 . . . A 576 GLU C . 18115 1 453 . 1 1 41 41 GLU CA C 13 59.889 0.071 . 1 . . . A 576 GLU CA . 18115 1 454 . 1 1 41 41 GLU CB C 13 30.013 0.113 . 1 . . . A 576 GLU CB . 18115 1 455 . 1 1 41 41 GLU CG C 13 36.276 0.061 . 1 . . . A 576 GLU CG . 18115 1 456 . 1 1 41 41 GLU N N 15 121.535 0.019 . 1 . . . A 576 GLU N . 18115 1 457 . 1 1 42 42 VAL H H 1 8.144 0.004 . 1 . . . A 577 VAL H . 18115 1 458 . 1 1 42 42 VAL HA H 1 3.711 0.007 . 1 . . . A 577 VAL HA . 18115 1 459 . 1 1 42 42 VAL HB H 1 2.210 0.009 . 1 . . . A 577 VAL HB . 18115 1 460 . 1 1 42 42 VAL HG11 H 1 1.044 0.015 . 2 . . . A 577 VAL HG11 . 18115 1 461 . 1 1 42 42 VAL HG12 H 1 1.044 0.015 . 2 . . . A 577 VAL HG12 . 18115 1 462 . 1 1 42 42 VAL HG13 H 1 1.044 0.015 . 2 . . . A 577 VAL HG13 . 18115 1 463 . 1 1 42 42 VAL HG21 H 1 0.928 0.003 . 2 . . . A 577 VAL HG21 . 18115 1 464 . 1 1 42 42 VAL HG22 H 1 0.928 0.003 . 2 . . . A 577 VAL HG22 . 18115 1 465 . 1 1 42 42 VAL HG23 H 1 0.928 0.003 . 2 . . . A 577 VAL HG23 . 18115 1 466 . 1 1 42 42 VAL C C 13 177.102 0.000 . 1 . . . A 577 VAL C . 18115 1 467 . 1 1 42 42 VAL CA C 13 67.120 0.099 . 1 . . . A 577 VAL CA . 18115 1 468 . 1 1 42 42 VAL CB C 13 31.532 0.131 . 1 . . . A 577 VAL CB . 18115 1 469 . 1 1 42 42 VAL CG1 C 13 24.237 0.088 . 2 . . . A 577 VAL CG1 . 18115 1 470 . 1 1 42 42 VAL CG2 C 13 22.146 0.053 . 2 . . . A 577 VAL CG2 . 18115 1 471 . 1 1 42 42 VAL N N 15 120.038 0.012 . 1 . . . A 577 VAL N . 18115 1 472 . 1 1 43 43 ILE H H 1 8.504 0.005 . 1 . . . A 578 ILE H . 18115 1 473 . 1 1 43 43 ILE HA H 1 3.697 0.007 . 1 . . . A 578 ILE HA . 18115 1 474 . 1 1 43 43 ILE HB H 1 1.852 0.006 . 1 . . . A 578 ILE HB . 18115 1 475 . 1 1 43 43 ILE HG12 H 1 1.513 0.013 . 2 . . . A 578 ILE HG12 . 18115 1 476 . 1 1 43 43 ILE HG13 H 1 0.977 0.011 . 2 . . . A 578 ILE HG13 . 18115 1 477 . 1 1 43 43 ILE HG21 H 1 0.933 0.008 . 1 . . . A 578 ILE HG21 . 18115 1 478 . 1 1 43 43 ILE HG22 H 1 0.933 0.008 . 1 . . . A 578 ILE HG22 . 18115 1 479 . 1 1 43 43 ILE HG23 H 1 0.933 0.008 . 1 . . . A 578 ILE HG23 . 18115 1 480 . 1 1 43 43 ILE HD11 H 1 0.453 0.006 . 1 . . . A 578 ILE HD11 . 18115 1 481 . 1 1 43 43 ILE HD12 H 1 0.453 0.006 . 1 . . . A 578 ILE HD12 . 18115 1 482 . 1 1 43 43 ILE HD13 H 1 0.453 0.006 . 1 . . . A 578 ILE HD13 . 18115 1 483 . 1 1 43 43 ILE C C 13 178.491 0.000 . 1 . . . A 578 ILE C . 18115 1 484 . 1 1 43 43 ILE CA C 13 65.618 0.084 . 1 . . . A 578 ILE CA . 18115 1 485 . 1 1 43 43 ILE CB C 13 37.687 0.101 . 1 . . . A 578 ILE CB . 18115 1 486 . 1 1 43 43 ILE CG1 C 13 29.883 0.076 . 1 . . . A 578 ILE CG1 . 18115 1 487 . 1 1 43 43 ILE CG2 C 13 17.506 0.048 . 1 . . . A 578 ILE CG2 . 18115 1 488 . 1 1 43 43 ILE CD1 C 13 12.537 0.042 . 1 . . . A 578 ILE CD1 . 18115 1 489 . 1 1 43 43 ILE N N 15 122.306 0.021 . 1 . . . A 578 ILE N . 18115 1 490 . 1 1 44 44 SER H H 1 8.562 0.006 . 1 . . . A 579 SER H . 18115 1 491 . 1 1 44 44 SER HA H 1 4.265 0.007 . 1 . . . A 579 SER HA . 18115 1 492 . 1 1 44 44 SER HB2 H 1 3.986 0.005 . 2 . . . A 579 SER HB2 . 18115 1 493 . 1 1 44 44 SER HB3 H 1 3.952 0.011 . 2 . . . A 579 SER HB3 . 18115 1 494 . 1 1 44 44 SER C C 13 177.129 0.000 . 1 . . . A 579 SER C . 18115 1 495 . 1 1 44 44 SER CA C 13 62.208 0.038 . 1 . . . A 579 SER CA . 18115 1 496 . 1 1 44 44 SER CB C 13 62.906 0.074 . 1 . . . A 579 SER CB . 18115 1 497 . 1 1 44 44 SER N N 15 115.928 0.011 . 1 . . . A 579 SER N . 18115 1 498 . 1 1 45 45 TRP H H 1 8.406 0.008 . 1 . . . A 580 TRP H . 18115 1 499 . 1 1 45 45 TRP HA H 1 4.041 0.010 . 1 . . . A 580 TRP HA . 18115 1 500 . 1 1 45 45 TRP HB2 H 1 3.678 0.005 . 2 . . . A 580 TRP HB2 . 18115 1 501 . 1 1 45 45 TRP HB3 H 1 3.335 0.006 . 2 . . . A 580 TRP HB3 . 18115 1 502 . 1 1 45 45 TRP HD1 H 1 7.231 0.007 . 1 . . . A 580 TRP HD1 . 18115 1 503 . 1 1 45 45 TRP HE1 H 1 10.173 0.000 . 1 . . . A 580 TRP HE1 . 18115 1 504 . 1 1 45 45 TRP HE3 H 1 7.356 0.010 . 1 . . . A 580 TRP HE3 . 18115 1 505 . 1 1 45 45 TRP HZ2 H 1 7.156 0.003 . 1 . . . A 580 TRP HZ2 . 18115 1 506 . 1 1 45 45 TRP HZ3 H 1 6.760 0.006 . 1 . . . A 580 TRP HZ3 . 18115 1 507 . 1 1 45 45 TRP HH2 H 1 6.074 0.002 . 1 . . . A 580 TRP HH2 . 18115 1 508 . 1 1 45 45 TRP C C 13 179.278 0.000 . 1 . . . A 580 TRP C . 18115 1 509 . 1 1 45 45 TRP CA C 13 62.505 0.066 . 1 . . . A 580 TRP CA . 18115 1 510 . 1 1 45 45 TRP CB C 13 28.518 0.062 . 1 . . . A 580 TRP CB . 18115 1 511 . 1 1 45 45 TRP N N 15 124.917 0.020 . 1 . . . A 580 TRP N . 18115 1 512 . 1 1 45 45 TRP NE1 N 15 131.068 0.000 . 1 . . . A 580 TRP NE1 . 18115 1 513 . 1 1 46 46 LEU H H 1 9.012 0.006 . 1 . . . A 581 LEU H . 18115 1 514 . 1 1 46 46 LEU HA H 1 3.656 0.010 . 1 . . . A 581 LEU HA . 18115 1 515 . 1 1 46 46 LEU HB2 H 1 2.184 0.008 . 2 . . . A 581 LEU HB2 . 18115 1 516 . 1 1 46 46 LEU HB3 H 1 1.675 0.011 . 2 . . . A 581 LEU HB3 . 18115 1 517 . 1 1 46 46 LEU HG H 1 2.163 0.007 . 1 . . . A 581 LEU HG . 18115 1 518 . 1 1 46 46 LEU HD11 H 1 0.952 0.010 . 2 . . . A 581 LEU HD11 . 18115 1 519 . 1 1 46 46 LEU HD12 H 1 0.952 0.010 . 2 . . . A 581 LEU HD12 . 18115 1 520 . 1 1 46 46 LEU HD13 H 1 0.952 0.010 . 2 . . . A 581 LEU HD13 . 18115 1 521 . 1 1 46 46 LEU HD21 H 1 1.190 0.006 . 2 . . . A 581 LEU HD21 . 18115 1 522 . 1 1 46 46 LEU HD22 H 1 1.190 0.006 . 2 . . . A 581 LEU HD22 . 18115 1 523 . 1 1 46 46 LEU HD23 H 1 1.190 0.006 . 2 . . . A 581 LEU HD23 . 18115 1 524 . 1 1 46 46 LEU C C 13 179.119 0.000 . 1 . . . A 581 LEU C . 18115 1 525 . 1 1 46 46 LEU CA C 13 58.434 0.095 . 1 . . . A 581 LEU CA . 18115 1 526 . 1 1 46 46 LEU CB C 13 42.539 0.066 . 1 . . . A 581 LEU CB . 18115 1 527 . 1 1 46 46 LEU CG C 13 27.481 0.162 . 1 . . . A 581 LEU CG . 18115 1 528 . 1 1 46 46 LEU CD1 C 13 26.249 0.100 . 2 . . . A 581 LEU CD1 . 18115 1 529 . 1 1 46 46 LEU CD2 C 13 25.849 0.086 . 2 . . . A 581 LEU CD2 . 18115 1 530 . 1 1 46 46 LEU N N 15 122.211 0.028 . 1 . . . A 581 LEU N . 18115 1 531 . 1 1 47 47 ASP H H 1 7.665 0.007 . 1 . . . A 582 ASP H . 18115 1 532 . 1 1 47 47 ASP HA H 1 4.278 0.009 . 1 . . . A 582 ASP HA . 18115 1 533 . 1 1 47 47 ASP HB2 H 1 2.694 0.009 . 2 . . . A 582 ASP HB2 . 18115 1 534 . 1 1 47 47 ASP HB3 H 1 2.586 0.014 . 2 . . . A 582 ASP HB3 . 18115 1 535 . 1 1 47 47 ASP C C 13 177.154 0.000 . 1 . . . A 582 ASP C . 18115 1 536 . 1 1 47 47 ASP CA C 13 56.794 0.071 . 1 . . . A 582 ASP CA . 18115 1 537 . 1 1 47 47 ASP CB C 13 41.189 0.078 . 1 . . . A 582 ASP CB . 18115 1 538 . 1 1 47 47 ASP N N 15 117.724 0.049 . 1 . . . A 582 ASP N . 18115 1 539 . 1 1 48 48 ALA H H 1 7.129 0.006 . 1 . . . A 583 ALA H . 18115 1 540 . 1 1 48 48 ALA HA H 1 4.288 0.007 . 1 . . . A 583 ALA HA . 18115 1 541 . 1 1 48 48 ALA HB1 H 1 1.246 0.010 . 1 . . . A 583 ALA HB1 . 18115 1 542 . 1 1 48 48 ALA HB2 H 1 1.246 0.010 . 1 . . . A 583 ALA HB2 . 18115 1 543 . 1 1 48 48 ALA HB3 H 1 1.246 0.010 . 1 . . . A 583 ALA HB3 . 18115 1 544 . 1 1 48 48 ALA C C 13 177.776 0.000 . 1 . . . A 583 ALA C . 18115 1 545 . 1 1 48 48 ALA CA C 13 52.353 0.107 . 1 . . . A 583 ALA CA . 18115 1 546 . 1 1 48 48 ALA CB C 13 19.893 0.063 . 1 . . . A 583 ALA CB . 18115 1 547 . 1 1 48 48 ALA N N 15 118.604 0.020 . 1 . . . A 583 ALA N . 18115 1 548 . 1 1 49 49 ASN H H 1 7.284 0.010 . 1 . . . A 584 ASN H . 18115 1 549 . 1 1 49 49 ASN HA H 1 4.671 0.007 . 1 . . . A 584 ASN HA . 18115 1 550 . 1 1 49 49 ASN HB2 H 1 1.775 0.010 . 2 . . . A 584 ASN HB2 . 18115 1 551 . 1 1 49 49 ASN HB3 H 1 0.830 0.008 . 2 . . . A 584 ASN HB3 . 18115 1 552 . 1 1 49 49 ASN C C 13 174.761 0.000 . 1 . . . A 584 ASN C . 18115 1 553 . 1 1 49 49 ASN CA C 13 52.848 0.131 . 1 . . . A 584 ASN CA . 18115 1 554 . 1 1 49 49 ASN CB C 13 37.968 0.085 . 1 . . . A 584 ASN CB . 18115 1 555 . 1 1 49 49 ASN N N 15 118.883 0.018 . 1 . . . A 584 ASN N . 18115 1 556 . 1 1 50 50 THR H H 1 7.615 0.006 . 1 . . . A 585 THR H . 18115 1 557 . 1 1 50 50 THR HA H 1 3.967 0.007 . 1 . . . A 585 THR HA . 18115 1 558 . 1 1 50 50 THR HB H 1 4.082 0.008 . 1 . . . A 585 THR HB . 18115 1 559 . 1 1 50 50 THR HG21 H 1 1.210 0.005 . 1 . . . A 585 THR HG21 . 18115 1 560 . 1 1 50 50 THR HG22 H 1 1.210 0.005 . 1 . . . A 585 THR HG22 . 18115 1 561 . 1 1 50 50 THR HG23 H 1 1.210 0.005 . 1 . . . A 585 THR HG23 . 18115 1 562 . 1 1 50 50 THR C C 13 175.787 0.000 . 1 . . . A 585 THR C . 18115 1 563 . 1 1 50 50 THR CA C 13 65.175 0.081 . 1 . . . A 585 THR CA . 18115 1 564 . 1 1 50 50 THR CB C 13 69.336 0.145 . 1 . . . A 585 THR CB . 18115 1 565 . 1 1 50 50 THR CG2 C 13 22.314 0.116 . 1 . . . A 585 THR CG2 . 18115 1 566 . 1 1 50 50 THR N N 15 112.258 0.022 . 1 . . . A 585 THR N . 18115 1 567 . 1 1 51 51 LEU H H 1 8.254 0.005 . 1 . . . A 586 LEU H . 18115 1 568 . 1 1 51 51 LEU HA H 1 4.543 0.011 . 1 . . . A 586 LEU HA . 18115 1 569 . 1 1 51 51 LEU HB2 H 1 1.634 0.010 . 2 . . . A 586 LEU HB2 . 18115 1 570 . 1 1 51 51 LEU HB3 H 1 1.555 0.010 . 2 . . . A 586 LEU HB3 . 18115 1 571 . 1 1 51 51 LEU HG H 1 0.819 0.010 . 1 . . . A 586 LEU HG . 18115 1 572 . 1 1 51 51 LEU HD11 H 1 1.485 0.014 . 2 . . . A 586 LEU HD11 . 18115 1 573 . 1 1 51 51 LEU HD12 H 1 1.485 0.014 . 2 . . . A 586 LEU HD12 . 18115 1 574 . 1 1 51 51 LEU HD13 H 1 1.485 0.014 . 2 . . . A 586 LEU HD13 . 18115 1 575 . 1 1 51 51 LEU HD21 H 1 0.771 0.011 . 2 . . . A 586 LEU HD21 . 18115 1 576 . 1 1 51 51 LEU HD22 H 1 0.771 0.011 . 2 . . . A 586 LEU HD22 . 18115 1 577 . 1 1 51 51 LEU HD23 H 1 0.771 0.011 . 2 . . . A 586 LEU HD23 . 18115 1 578 . 1 1 51 51 LEU C C 13 176.635 0.000 . 1 . . . A 586 LEU C . 18115 1 579 . 1 1 51 51 LEU CA C 13 53.961 0.100 . 1 . . . A 586 LEU CA . 18115 1 580 . 1 1 51 51 LEU CB C 13 41.072 0.124 . 1 . . . A 586 LEU CB . 18115 1 581 . 1 1 51 51 LEU CG C 13 25.250 0.037 . 1 . . . A 586 LEU CG . 18115 1 582 . 1 1 51 51 LEU CD1 C 13 26.652 0.212 . 2 . . . A 586 LEU CD1 . 18115 1 583 . 1 1 51 51 LEU CD2 C 13 22.946 0.080 . 2 . . . A 586 LEU CD2 . 18115 1 584 . 1 1 51 51 LEU N N 15 120.550 0.029 . 1 . . . A 586 LEU N . 18115 1 585 . 1 1 52 52 ALA H H 1 7.124 0.006 . 1 . . . A 587 ALA H . 18115 1 586 . 1 1 52 52 ALA HA H 1 4.076 0.006 . 1 . . . A 587 ALA HA . 18115 1 587 . 1 1 52 52 ALA HB1 H 1 1.001 0.013 . 1 . . . A 587 ALA HB1 . 18115 1 588 . 1 1 52 52 ALA HB2 H 1 1.001 0.013 . 1 . . . A 587 ALA HB2 . 18115 1 589 . 1 1 52 52 ALA HB3 H 1 1.001 0.013 . 1 . . . A 587 ALA HB3 . 18115 1 590 . 1 1 52 52 ALA C C 13 176.356 0.000 . 1 . . . A 587 ALA C . 18115 1 591 . 1 1 52 52 ALA CA C 13 52.596 0.077 . 1 . . . A 587 ALA CA . 18115 1 592 . 1 1 52 52 ALA CB C 13 19.431 0.063 . 1 . . . A 587 ALA CB . 18115 1 593 . 1 1 52 52 ALA N N 15 123.048 0.019 . 1 . . . A 587 ALA N . 18115 1 594 . 1 1 53 53 GLU H H 1 8.429 0.005 . 1 . . . A 588 GLU H . 18115 1 595 . 1 1 53 53 GLU HA H 1 4.360 0.007 . 1 . . . A 588 GLU HA . 18115 1 596 . 1 1 53 53 GLU HB2 H 1 2.319 0.008 . 2 . . . A 588 GLU HB2 . 18115 1 597 . 1 1 53 53 GLU HB3 H 1 1.936 0.008 . 2 . . . A 588 GLU HB3 . 18115 1 598 . 1 1 53 53 GLU HG2 H 1 2.426 0.006 . 2 . . . A 588 GLU HG2 . 18115 1 599 . 1 1 53 53 GLU C C 13 177.945 0.000 . 1 . . . A 588 GLU C . 18115 1 600 . 1 1 53 53 GLU CA C 13 55.737 0.097 . 1 . . . A 588 GLU CA . 18115 1 601 . 1 1 53 53 GLU CB C 13 31.199 0.109 . 1 . . . A 588 GLU CB . 18115 1 602 . 1 1 53 53 GLU CG C 13 36.750 0.134 . 1 . . . A 588 GLU CG . 18115 1 603 . 1 1 53 53 GLU N N 15 118.471 0.022 . 1 . . . A 588 GLU N . 18115 1 604 . 1 1 54 54 LYS H H 1 8.763 0.005 . 1 . . . A 589 LYS H . 18115 1 605 . 1 1 54 54 LYS HA H 1 4.150 0.009 . 1 . . . A 589 LYS HA . 18115 1 606 . 1 1 54 54 LYS HB2 H 1 1.991 0.007 . 2 . . . A 589 LYS HB2 . 18115 1 607 . 1 1 54 54 LYS HB3 H 1 1.888 0.010 . 2 . . . A 589 LYS HB3 . 18115 1 608 . 1 1 54 54 LYS HG2 H 1 1.535 0.009 . 2 . . . A 589 LYS HG2 . 18115 1 609 . 1 1 54 54 LYS HG3 H 1 1.436 0.009 . 2 . . . A 589 LYS HG3 . 18115 1 610 . 1 1 54 54 LYS HD2 H 1 1.698 0.006 . 2 . . . A 589 LYS HD2 . 18115 1 611 . 1 1 54 54 LYS HE2 H 1 2.975 0.008 . 2 . . . A 589 LYS HE2 . 18115 1 612 . 1 1 54 54 LYS HE3 H 1 2.906 0.003 . 2 . . . A 589 LYS HE3 . 18115 1 613 . 1 1 54 54 LYS C C 13 178.445 0.000 . 1 . . . A 589 LYS C . 18115 1 614 . 1 1 54 54 LYS CA C 13 60.707 0.070 . 1 . . . A 589 LYS CA . 18115 1 615 . 1 1 54 54 LYS CB C 13 32.790 0.087 . 1 . . . A 589 LYS CB . 18115 1 616 . 1 1 54 54 LYS CG C 13 24.667 0.057 . 1 . . . A 589 LYS CG . 18115 1 617 . 1 1 54 54 LYS CD C 13 29.780 0.054 . 1 . . . A 589 LYS CD . 18115 1 618 . 1 1 54 54 LYS CE C 13 42.156 0.054 . 1 . . . A 589 LYS CE . 18115 1 619 . 1 1 54 54 LYS N N 15 121.635 0.020 . 1 . . . A 589 LYS N . 18115 1 620 . 1 1 55 55 ASP H H 1 8.814 0.005 . 1 . . . A 590 ASP H . 18115 1 621 . 1 1 55 55 ASP HA H 1 4.320 0.010 . 1 . . . A 590 ASP HA . 18115 1 622 . 1 1 55 55 ASP HB2 H 1 2.517 0.005 . 2 . . . A 590 ASP HB2 . 18115 1 623 . 1 1 55 55 ASP C C 13 178.649 0.000 . 1 . . . A 590 ASP C . 18115 1 624 . 1 1 55 55 ASP CA C 13 57.012 0.085 . 1 . . . A 590 ASP CA . 18115 1 625 . 1 1 55 55 ASP CB C 13 40.089 0.156 . 1 . . . A 590 ASP CB . 18115 1 626 . 1 1 55 55 ASP N N 15 116.537 0.015 . 1 . . . A 590 ASP N . 18115 1 627 . 1 1 56 56 GLU H H 1 7.785 0.007 . 1 . . . A 591 GLU H . 18115 1 628 . 1 1 56 56 GLU HA H 1 4.065 0.011 . 1 . . . A 591 GLU HA . 18115 1 629 . 1 1 56 56 GLU HB2 H 1 2.202 0.006 . 2 . . . A 591 GLU HB2 . 18115 1 630 . 1 1 56 56 GLU HB3 H 1 2.080 0.006 . 2 . . . A 591 GLU HB3 . 18115 1 631 . 1 1 56 56 GLU HG2 H 1 2.311 0.005 . 2 . . . A 591 GLU HG2 . 18115 1 632 . 1 1 56 56 GLU HG3 H 1 2.210 0.004 . 2 . . . A 591 GLU HG3 . 18115 1 633 . 1 1 56 56 GLU C C 13 179.582 0.000 . 1 . . . A 591 GLU C . 18115 1 634 . 1 1 56 56 GLU CA C 13 59.513 0.144 . 1 . . . A 591 GLU CA . 18115 1 635 . 1 1 56 56 GLU CB C 13 29.813 0.122 . 1 . . . A 591 GLU CB . 18115 1 636 . 1 1 56 56 GLU CG C 13 37.569 0.078 . 1 . . . A 591 GLU CG . 18115 1 637 . 1 1 56 56 GLU N N 15 119.611 0.057 . 1 . . . A 591 GLU N . 18115 1 638 . 1 1 57 57 PHE H H 1 7.443 0.006 . 1 . . . A 592 PHE H . 18115 1 639 . 1 1 57 57 PHE HA H 1 4.225 0.009 . 1 . . . A 592 PHE HA . 18115 1 640 . 1 1 57 57 PHE HB2 H 1 3.123 0.011 . 2 . . . A 592 PHE HB2 . 18115 1 641 . 1 1 57 57 PHE HD1 H 1 7.332 0.007 . 3 . . . A 592 PHE HD1 . 18115 1 642 . 1 1 57 57 PHE HE1 H 1 7.343 0.008 . 3 . . . A 592 PHE HE1 . 18115 1 643 . 1 1 57 57 PHE C C 13 178.436 0.000 . 1 . . . A 592 PHE C . 18115 1 644 . 1 1 57 57 PHE CA C 13 61.611 0.080 . 1 . . . A 592 PHE CA . 18115 1 645 . 1 1 57 57 PHE CB C 13 38.834 0.075 . 1 . . . A 592 PHE CB . 18115 1 646 . 1 1 57 57 PHE N N 15 117.509 0.036 . 1 . . . A 592 PHE N . 18115 1 647 . 1 1 58 58 GLU H H 1 7.952 0.008 . 1 . . . A 593 GLU H . 18115 1 648 . 1 1 58 58 GLU HA H 1 4.134 0.015 . 1 . . . A 593 GLU HA . 18115 1 649 . 1 1 58 58 GLU HB2 H 1 2.083 0.009 . 2 . . . A 593 GLU HB2 . 18115 1 650 . 1 1 58 58 GLU HB3 H 1 1.942 0.007 . 2 . . . A 593 GLU HB3 . 18115 1 651 . 1 1 58 58 GLU HG2 H 1 2.266 0.009 . 2 . . . A 593 GLU HG2 . 18115 1 652 . 1 1 58 58 GLU C C 13 178.855 0.000 . 1 . . . A 593 GLU C . 18115 1 653 . 1 1 58 58 GLU CA C 13 58.984 0.046 . 1 . . . A 593 GLU CA . 18115 1 654 . 1 1 58 58 GLU CB C 13 29.067 0.055 . 1 . . . A 593 GLU CB . 18115 1 655 . 1 1 58 58 GLU CG C 13 36.139 0.097 . 1 . . . A 593 GLU CG . 18115 1 656 . 1 1 58 58 GLU N N 15 118.501 0.025 . 1 . . . A 593 GLU N . 18115 1 657 . 1 1 59 59 HIS H H 1 8.126 0.007 . 1 . . . A 594 HIS H . 18115 1 658 . 1 1 59 59 HIS HA H 1 4.213 0.012 . 1 . . . A 594 HIS HA . 18115 1 659 . 1 1 59 59 HIS HB2 H 1 3.159 0.012 . 2 . . . A 594 HIS HB2 . 18115 1 660 . 1 1 59 59 HIS HD2 H 1 6.973 0.008 . 1 . . . A 594 HIS HD2 . 18115 1 661 . 1 1 59 59 HIS C C 13 177.856 0.000 . 1 . . . A 594 HIS C . 18115 1 662 . 1 1 59 59 HIS CA C 13 59.268 0.144 . 1 . . . A 594 HIS CA . 18115 1 663 . 1 1 59 59 HIS CB C 13 29.037 0.222 . 1 . . . A 594 HIS CB . 18115 1 664 . 1 1 59 59 HIS N N 15 118.563 0.078 . 1 . . . A 594 HIS N . 18115 1 665 . 1 1 60 60 LYS H H 1 7.733 0.005 . 1 . . . A 595 LYS H . 18115 1 666 . 1 1 60 60 LYS HA H 1 3.694 0.006 . 1 . . . A 595 LYS HA . 18115 1 667 . 1 1 60 60 LYS HB2 H 1 1.392 0.015 . 2 . . . A 595 LYS HB2 . 18115 1 668 . 1 1 60 60 LYS HB3 H 1 1.274 0.009 . 2 . . . A 595 LYS HB3 . 18115 1 669 . 1 1 60 60 LYS HG2 H 1 0.572 0.005 . 2 . . . A 595 LYS HG2 . 18115 1 670 . 1 1 60 60 LYS HG3 H 1 0.074 0.005 . 2 . . . A 595 LYS HG3 . 18115 1 671 . 1 1 60 60 LYS HD2 H 1 0.920 0.006 . 2 . . . A 595 LYS HD2 . 18115 1 672 . 1 1 60 60 LYS HD3 H 1 0.787 0.009 . 2 . . . A 595 LYS HD3 . 18115 1 673 . 1 1 60 60 LYS HE2 H 1 1.623 0.007 . 2 . . . A 595 LYS HE2 . 18115 1 674 . 1 1 60 60 LYS HE3 H 1 1.171 0.004 . 2 . . . A 595 LYS HE3 . 18115 1 675 . 1 1 60 60 LYS C C 13 178.057 0.000 . 1 . . . A 595 LYS C . 18115 1 676 . 1 1 60 60 LYS CA C 13 57.147 0.037 . 1 . . . A 595 LYS CA . 18115 1 677 . 1 1 60 60 LYS CB C 13 30.777 0.052 . 1 . . . A 595 LYS CB . 18115 1 678 . 1 1 60 60 LYS CG C 13 23.221 0.053 . 1 . . . A 595 LYS CG . 18115 1 679 . 1 1 60 60 LYS CD C 13 26.938 0.060 . 1 . . . A 595 LYS CD . 18115 1 680 . 1 1 60 60 LYS CE C 13 40.116 0.189 . 1 . . . A 595 LYS CE . 18115 1 681 . 1 1 60 60 LYS N N 15 119.034 0.065 . 1 . . . A 595 LYS N . 18115 1 682 . 1 1 61 61 ARG H H 1 8.167 0.006 . 1 . . . A 596 ARG H . 18115 1 683 . 1 1 61 61 ARG HA H 1 3.648 0.012 . 1 . . . A 596 ARG HA . 18115 1 684 . 1 1 61 61 ARG HB2 H 1 1.990 0.011 . 2 . . . A 596 ARG HB2 . 18115 1 685 . 1 1 61 61 ARG HB3 H 1 1.820 0.011 . 2 . . . A 596 ARG HB3 . 18115 1 686 . 1 1 61 61 ARG HG2 H 1 1.369 0.006 . 2 . . . A 596 ARG HG2 . 18115 1 687 . 1 1 61 61 ARG HG3 H 1 1.195 0.007 . 2 . . . A 596 ARG HG3 . 18115 1 688 . 1 1 61 61 ARG HD2 H 1 2.923 0.013 . 2 . . . A 596 ARG HD2 . 18115 1 689 . 1 1 61 61 ARG HD3 H 1 2.824 0.021 . 2 . . . A 596 ARG HD3 . 18115 1 690 . 1 1 61 61 ARG HE H 1 7.474 0.005 . 1 . . . A 596 ARG HE . 18115 1 691 . 1 1 61 61 ARG C C 13 177.921 0.000 . 1 . . . A 596 ARG C . 18115 1 692 . 1 1 61 61 ARG CA C 13 60.178 0.082 . 1 . . . A 596 ARG CA . 18115 1 693 . 1 1 61 61 ARG CB C 13 29.805 0.195 . 1 . . . A 596 ARG CB . 18115 1 694 . 1 1 61 61 ARG CG C 13 27.632 0.079 . 1 . . . A 596 ARG CG . 18115 1 695 . 1 1 61 61 ARG CD C 13 42.878 0.161 . 1 . . . A 596 ARG CD . 18115 1 696 . 1 1 61 61 ARG N N 15 120.071 0.023 . 1 . . . A 596 ARG N . 18115 1 697 . 1 1 62 62 LYS H H 1 7.948 0.004 . 1 . . . A 597 LYS H . 18115 1 698 . 1 1 62 62 LYS HA H 1 3.886 0.017 . 1 . . . A 597 LYS HA . 18115 1 699 . 1 1 62 62 LYS HB2 H 1 1.790 0.011 . 2 . . . A 597 LYS HB2 . 18115 1 700 . 1 1 62 62 LYS HG2 H 1 1.321 0.004 . 2 . . . A 597 LYS HG2 . 18115 1 701 . 1 1 62 62 LYS HD2 H 1 1.551 0.015 . 2 . . . A 597 LYS HD2 . 18115 1 702 . 1 1 62 62 LYS HE2 H 1 2.815 0.006 . 2 . . . A 597 LYS HE2 . 18115 1 703 . 1 1 62 62 LYS C C 13 178.963 0.000 . 1 . . . A 597 LYS C . 18115 1 704 . 1 1 62 62 LYS CA C 13 59.237 0.102 . 1 . . . A 597 LYS CA . 18115 1 705 . 1 1 62 62 LYS CB C 13 31.899 0.184 . 1 . . . A 597 LYS CB . 18115 1 706 . 1 1 62 62 LYS CG C 13 25.237 0.030 . 1 . . . A 597 LYS CG . 18115 1 707 . 1 1 62 62 LYS CD C 13 29.074 0.146 . 1 . . . A 597 LYS CD . 18115 1 708 . 1 1 62 62 LYS CE C 13 42.034 0.042 . 1 . . . A 597 LYS CE . 18115 1 709 . 1 1 62 62 LYS N N 15 118.731 0.065 . 1 . . . A 597 LYS N . 18115 1 710 . 1 1 63 63 GLU H H 1 7.794 0.005 . 1 . . . A 598 GLU H . 18115 1 711 . 1 1 63 63 GLU HA H 1 3.876 0.013 . 1 . . . A 598 GLU HA . 18115 1 712 . 1 1 63 63 GLU HB2 H 1 2.018 0.008 . 2 . . . A 598 GLU HB2 . 18115 1 713 . 1 1 63 63 GLU HB3 H 1 1.810 0.007 . 2 . . . A 598 GLU HB3 . 18115 1 714 . 1 1 63 63 GLU HG2 H 1 2.283 0.009 . 2 . . . A 598 GLU HG2 . 18115 1 715 . 1 1 63 63 GLU HG3 H 1 1.906 0.006 . 2 . . . A 598 GLU HG3 . 18115 1 716 . 1 1 63 63 GLU C C 13 179.408 0.000 . 1 . . . A 598 GLU C . 18115 1 717 . 1 1 63 63 GLU CA C 13 59.385 0.107 . 1 . . . A 598 GLU CA . 18115 1 718 . 1 1 63 63 GLU CB C 13 30.403 0.129 . 1 . . . A 598 GLU CB . 18115 1 719 . 1 1 63 63 GLU CG C 13 36.367 0.055 . 1 . . . A 598 GLU CG . 18115 1 720 . 1 1 63 63 GLU N N 15 118.881 0.069 . 1 . . . A 598 GLU N . 18115 1 721 . 1 1 64 64 LEU H H 1 7.800 0.007 . 1 . . . A 599 LEU H . 18115 1 722 . 1 1 64 64 LEU HA H 1 4.070 0.009 . 1 . . . A 599 LEU HA . 18115 1 723 . 1 1 64 64 LEU HB2 H 1 2.180 0.008 . 2 . . . A 599 LEU HB2 . 18115 1 724 . 1 1 64 64 LEU HB3 H 1 1.489 0.010 . 2 . . . A 599 LEU HB3 . 18115 1 725 . 1 1 64 64 LEU HG H 1 0.880 0.009 . 1 . . . A 599 LEU HG . 18115 1 726 . 1 1 64 64 LEU HD11 H 1 1.708 0.012 . 2 . . . A 599 LEU HD11 . 18115 1 727 . 1 1 64 64 LEU HD12 H 1 1.708 0.012 . 2 . . . A 599 LEU HD12 . 18115 1 728 . 1 1 64 64 LEU HD13 H 1 1.708 0.012 . 2 . . . A 599 LEU HD13 . 18115 1 729 . 1 1 64 64 LEU HD21 H 1 0.894 0.006 . 2 . . . A 599 LEU HD21 . 18115 1 730 . 1 1 64 64 LEU HD22 H 1 0.894 0.006 . 2 . . . A 599 LEU HD22 . 18115 1 731 . 1 1 64 64 LEU HD23 H 1 0.894 0.006 . 2 . . . A 599 LEU HD23 . 18115 1 732 . 1 1 64 64 LEU C C 13 178.814 0.000 . 1 . . . A 599 LEU C . 18115 1 733 . 1 1 64 64 LEU CA C 13 57.996 0.150 . 1 . . . A 599 LEU CA . 18115 1 734 . 1 1 64 64 LEU CB C 13 42.020 0.095 . 1 . . . A 599 LEU CB . 18115 1 735 . 1 1 64 64 LEU CG C 13 26.618 0.071 . 1 . . . A 599 LEU CG . 18115 1 736 . 1 1 64 64 LEU CD1 C 13 27.396 0.082 . 2 . . . A 599 LEU CD1 . 18115 1 737 . 1 1 64 64 LEU CD2 C 13 25.085 0.115 . 2 . . . A 599 LEU CD2 . 18115 1 738 . 1 1 64 64 LEU N N 15 119.904 0.018 . 1 . . . A 599 LEU N . 18115 1 739 . 1 1 65 65 GLU H H 1 8.948 0.007 . 1 . . . A 600 GLU H . 18115 1 740 . 1 1 65 65 GLU HA H 1 4.166 0.012 . 1 . . . A 600 GLU HA . 18115 1 741 . 1 1 65 65 GLU HB2 H 1 2.090 0.011 . 2 . . . A 600 GLU HB2 . 18115 1 742 . 1 1 65 65 GLU HG2 H 1 2.236 0.009 . 2 . . . A 600 GLU HG2 . 18115 1 743 . 1 1 65 65 GLU C C 13 178.550 0.000 . 1 . . . A 600 GLU C . 18115 1 744 . 1 1 65 65 GLU CA C 13 59.731 0.076 . 1 . . . A 600 GLU CA . 18115 1 745 . 1 1 65 65 GLU CB C 13 30.269 0.146 . 1 . . . A 600 GLU CB . 18115 1 746 . 1 1 65 65 GLU CG C 13 36.717 0.124 . 1 . . . A 600 GLU CG . 18115 1 747 . 1 1 65 65 GLU N N 15 122.446 0.040 . 1 . . . A 600 GLU N . 18115 1 748 . 1 1 66 66 GLN H H 1 8.109 0.006 . 1 . . . A 601 GLN H . 18115 1 749 . 1 1 66 66 GLN HA H 1 3.951 0.011 . 1 . . . A 601 GLN HA . 18115 1 750 . 1 1 66 66 GLN HB2 H 1 2.135 0.005 . 2 . . . A 601 GLN HB2 . 18115 1 751 . 1 1 66 66 GLN HB3 H 1 2.058 0.006 . 2 . . . A 601 GLN HB3 . 18115 1 752 . 1 1 66 66 GLN HG2 H 1 2.486 0.007 . 2 . . . A 601 GLN HG2 . 18115 1 753 . 1 1 66 66 GLN HG3 H 1 2.368 0.012 . 2 . . . A 601 GLN HG3 . 18115 1 754 . 1 1 66 66 GLN HE21 H 1 7.419 0.006 . 2 . . . A 601 GLN HE21 . 18115 1 755 . 1 1 66 66 GLN HE22 H 1 6.800 0.005 . 2 . . . A 601 GLN HE22 . 18115 1 756 . 1 1 66 66 GLN C C 13 178.277 0.000 . 1 . . . A 601 GLN C . 18115 1 757 . 1 1 66 66 GLN CA C 13 58.526 0.149 . 1 . . . A 601 GLN CA . 18115 1 758 . 1 1 66 66 GLN CB C 13 28.622 0.185 . 1 . . . A 601 GLN CB . 18115 1 759 . 1 1 66 66 GLN CG C 13 34.571 0.096 . 1 . . . A 601 GLN CG . 18115 1 760 . 1 1 66 66 GLN N N 15 116.068 0.016 . 1 . . . A 601 GLN N . 18115 1 761 . 1 1 66 66 GLN NE2 N 15 111.747 0.007 . 1 . . . A 601 GLN NE2 . 18115 1 762 . 1 1 67 67 VAL H H 1 7.171 0.006 . 1 . . . A 602 VAL H . 18115 1 763 . 1 1 67 67 VAL HA H 1 3.805 0.009 . 1 . . . A 602 VAL HA . 18115 1 764 . 1 1 67 67 VAL HB H 1 2.142 0.006 . 1 . . . A 602 VAL HB . 18115 1 765 . 1 1 67 67 VAL HG11 H 1 1.050 0.010 . 2 . . . A 602 VAL HG11 . 18115 1 766 . 1 1 67 67 VAL HG12 H 1 1.050 0.010 . 2 . . . A 602 VAL HG12 . 18115 1 767 . 1 1 67 67 VAL HG13 H 1 1.050 0.010 . 2 . . . A 602 VAL HG13 . 18115 1 768 . 1 1 67 67 VAL HG21 H 1 0.843 0.009 . 2 . . . A 602 VAL HG21 . 18115 1 769 . 1 1 67 67 VAL HG22 H 1 0.843 0.009 . 2 . . . A 602 VAL HG22 . 18115 1 770 . 1 1 67 67 VAL HG23 H 1 0.843 0.009 . 2 . . . A 602 VAL HG23 . 18115 1 771 . 1 1 67 67 VAL C C 13 177.423 0.000 . 1 . . . A 602 VAL C . 18115 1 772 . 1 1 67 67 VAL CA C 13 65.105 0.063 . 1 . . . A 602 VAL CA . 18115 1 773 . 1 1 67 67 VAL CB C 13 33.177 0.097 . 1 . . . A 602 VAL CB . 18115 1 774 . 1 1 67 67 VAL CG1 C 13 23.083 0.100 . 2 . . . A 602 VAL CG1 . 18115 1 775 . 1 1 67 67 VAL CG2 C 13 21.439 0.136 . 2 . . . A 602 VAL CG2 . 18115 1 776 . 1 1 67 67 VAL N N 15 116.121 0.021 . 1 . . . A 602 VAL N . 18115 1 777 . 1 1 68 68 CYS H H 1 8.138 0.006 . 1 . . . A 603 CYS H . 18115 1 778 . 1 1 68 68 CYS HA H 1 3.998 0.008 . 1 . . . A 603 CYS HA . 18115 1 779 . 1 1 68 68 CYS HB2 H 1 3.049 0.009 . 2 . . . A 603 CYS HB2 . 18115 1 780 . 1 1 68 68 CYS HB3 H 1 2.701 0.008 . 2 . . . A 603 CYS HB3 . 18115 1 781 . 1 1 68 68 CYS C C 13 176.503 0.000 . 1 . . . A 603 CYS C . 18115 1 782 . 1 1 68 68 CYS CA C 13 63.325 0.097 . 1 . . . A 603 CYS CA . 18115 1 783 . 1 1 68 68 CYS CB C 13 28.665 0.085 . 1 . . . A 603 CYS CB . 18115 1 784 . 1 1 68 68 CYS N N 15 114.504 0.019 . 1 . . . A 603 CYS N . 18115 1 785 . 1 1 69 69 ASN H H 1 9.045 0.005 . 1 . . . A 604 ASN H . 18115 1 786 . 1 1 69 69 ASN HA H 1 4.574 0.010 . 1 . . . A 604 ASN HA . 18115 1 787 . 1 1 69 69 ASN HB2 H 1 2.947 0.012 . 2 . . . A 604 ASN HB2 . 18115 1 788 . 1 1 69 69 ASN HB3 H 1 2.736 0.005 . 2 . . . A 604 ASN HB3 . 18115 1 789 . 1 1 69 69 ASN HD21 H 1 7.650 0.005 . 2 . . . A 604 ASN HD21 . 18115 1 790 . 1 1 69 69 ASN HD22 H 1 6.993 0.006 . 2 . . . A 604 ASN HD22 . 18115 1 791 . 1 1 69 69 ASN CA C 13 57.815 0.078 . 1 . . . A 604 ASN CA . 18115 1 792 . 1 1 69 69 ASN CB C 13 35.815 0.081 . 1 . . . A 604 ASN CB . 18115 1 793 . 1 1 69 69 ASN N N 15 119.915 0.018 . 1 . . . A 604 ASN N . 18115 1 794 . 1 1 69 69 ASN ND2 N 15 111.676 0.033 . 1 . . . A 604 ASN ND2 . 18115 1 795 . 1 1 70 70 PRO HA H 1 4.271 0.007 . 1 . . . A 605 PRO HA . 18115 1 796 . 1 1 70 70 PRO HB2 H 1 2.291 0.007 . 2 . . . A 605 PRO HB2 . 18115 1 797 . 1 1 70 70 PRO HB3 H 1 1.699 0.006 . 2 . . . A 605 PRO HB3 . 18115 1 798 . 1 1 70 70 PRO HG2 H 1 2.003 0.012 . 2 . . . A 605 PRO HG2 . 18115 1 799 . 1 1 70 70 PRO HG3 H 1 1.907 0.009 . 2 . . . A 605 PRO HG3 . 18115 1 800 . 1 1 70 70 PRO HD2 H 1 3.522 0.007 . 2 . . . A 605 PRO HD2 . 18115 1 801 . 1 1 70 70 PRO HD3 H 1 3.427 0.011 . 2 . . . A 605 PRO HD3 . 18115 1 802 . 1 1 70 70 PRO C C 13 177.471 0.000 . 1 . . . A 605 PRO C . 18115 1 803 . 1 1 70 70 PRO CA C 13 65.670 0.091 . 1 . . . A 605 PRO CA . 18115 1 804 . 1 1 70 70 PRO CB C 13 31.588 0.066 . 1 . . . A 605 PRO CB . 18115 1 805 . 1 1 70 70 PRO CG C 13 28.558 0.101 . 1 . . . A 605 PRO CG . 18115 1 806 . 1 1 70 70 PRO CD C 13 51.233 0.054 . 1 . . . A 605 PRO CD . 18115 1 807 . 1 1 71 71 ILE H H 1 6.851 0.007 . 1 . . . A 606 ILE H . 18115 1 808 . 1 1 71 71 ILE HA H 1 3.818 0.009 . 1 . . . A 606 ILE HA . 18115 1 809 . 1 1 71 71 ILE HB H 1 1.686 0.009 . 1 . . . A 606 ILE HB . 18115 1 810 . 1 1 71 71 ILE HG12 H 1 1.572 0.007 . 2 . . . A 606 ILE HG12 . 18115 1 811 . 1 1 71 71 ILE HG13 H 1 0.951 0.009 . 2 . . . A 606 ILE HG13 . 18115 1 812 . 1 1 71 71 ILE HG21 H 1 0.796 0.008 . 1 . . . A 606 ILE HG21 . 18115 1 813 . 1 1 71 71 ILE HG22 H 1 0.796 0.008 . 1 . . . A 606 ILE HG22 . 18115 1 814 . 1 1 71 71 ILE HG23 H 1 0.796 0.008 . 1 . . . A 606 ILE HG23 . 18115 1 815 . 1 1 71 71 ILE HD11 H 1 0.859 0.009 . 1 . . . A 606 ILE HD11 . 18115 1 816 . 1 1 71 71 ILE HD12 H 1 0.859 0.009 . 1 . . . A 606 ILE HD12 . 18115 1 817 . 1 1 71 71 ILE HD13 H 1 0.859 0.009 . 1 . . . A 606 ILE HD13 . 18115 1 818 . 1 1 71 71 ILE C C 13 177.032 0.000 . 1 . . . A 606 ILE C . 18115 1 819 . 1 1 71 71 ILE CA C 13 63.318 0.106 . 1 . . . A 606 ILE CA . 18115 1 820 . 1 1 71 71 ILE CB C 13 39.624 0.126 . 1 . . . A 606 ILE CB . 18115 1 821 . 1 1 71 71 ILE CG1 C 13 29.509 0.056 . 1 . . . A 606 ILE CG1 . 18115 1 822 . 1 1 71 71 ILE CG2 C 13 18.089 0.112 . 1 . . . A 606 ILE CG2 . 18115 1 823 . 1 1 71 71 ILE CD1 C 13 14.081 0.087 . 1 . . . A 606 ILE CD1 . 18115 1 824 . 1 1 71 71 ILE N N 15 115.752 0.017 . 1 . . . A 606 ILE N . 18115 1 825 . 1 1 72 72 ILE H H 1 8.032 0.006 . 1 . . . A 607 ILE H . 18115 1 826 . 1 1 72 72 ILE HA H 1 4.006 0.008 . 1 . . . A 607 ILE HA . 18115 1 827 . 1 1 72 72 ILE HB H 1 1.882 0.007 . 1 . . . A 607 ILE HB . 18115 1 828 . 1 1 72 72 ILE HG12 H 1 1.406 0.009 . 2 . . . A 607 ILE HG12 . 18115 1 829 . 1 1 72 72 ILE HG13 H 1 1.233 0.008 . 2 . . . A 607 ILE HG13 . 18115 1 830 . 1 1 72 72 ILE HG21 H 1 0.793 0.005 . 1 . . . A 607 ILE HG21 . 18115 1 831 . 1 1 72 72 ILE HG22 H 1 0.793 0.005 . 1 . . . A 607 ILE HG22 . 18115 1 832 . 1 1 72 72 ILE HG23 H 1 0.793 0.005 . 1 . . . A 607 ILE HG23 . 18115 1 833 . 1 1 72 72 ILE HD11 H 1 0.741 0.012 . 1 . . . A 607 ILE HD11 . 18115 1 834 . 1 1 72 72 ILE HD12 H 1 0.741 0.012 . 1 . . . A 607 ILE HD12 . 18115 1 835 . 1 1 72 72 ILE HD13 H 1 0.741 0.012 . 1 . . . A 607 ILE HD13 . 18115 1 836 . 1 1 72 72 ILE C C 13 177.236 0.000 . 1 . . . A 607 ILE C . 18115 1 837 . 1 1 72 72 ILE CA C 13 61.726 0.083 . 1 . . . A 607 ILE CA . 18115 1 838 . 1 1 72 72 ILE CB C 13 38.302 0.089 . 1 . . . A 607 ILE CB . 18115 1 839 . 1 1 72 72 ILE CG1 C 13 27.926 0.081 . 1 . . . A 607 ILE CG1 . 18115 1 840 . 1 1 72 72 ILE CG2 C 13 18.075 0.048 . 1 . . . A 607 ILE CG2 . 18115 1 841 . 1 1 72 72 ILE CD1 C 13 12.970 0.057 . 1 . . . A 607 ILE CD1 . 18115 1 842 . 1 1 72 72 ILE N N 15 116.042 0.031 . 1 . . . A 607 ILE N . 18115 1 843 . 1 1 73 73 SER H H 1 8.001 0.005 . 1 . . . A 608 SER H . 18115 1 844 . 1 1 73 73 SER HA H 1 4.277 0.006 . 1 . . . A 608 SER HA . 18115 1 845 . 1 1 73 73 SER HB2 H 1 3.824 0.011 . 2 . . . A 608 SER HB2 . 18115 1 846 . 1 1 73 73 SER C C 13 175.111 0.000 . 1 . . . A 608 SER C . 18115 1 847 . 1 1 73 73 SER CA C 13 60.134 0.118 . 1 . . . A 608 SER CA . 18115 1 848 . 1 1 73 73 SER CB C 13 63.480 0.096 . 1 . . . A 608 SER CB . 18115 1 849 . 1 1 73 73 SER N N 15 115.855 0.024 . 1 . . . A 608 SER N . 18115 1 850 . 1 1 74 74 GLY H H 1 7.924 0.004 . 1 . . . A 609 GLY H . 18115 1 851 . 1 1 74 74 GLY HA2 H 1 3.982 0.006 . 2 . . . A 609 GLY HA2 . 18115 1 852 . 1 1 74 74 GLY HA3 H 1 3.784 0.011 . 2 . . . A 609 GLY HA3 . 18115 1 853 . 1 1 74 74 GLY C C 13 173.508 0.000 . 1 . . . A 609 GLY C . 18115 1 854 . 1 1 74 74 GLY CA C 13 45.315 0.148 . 1 . . . A 609 GLY CA . 18115 1 855 . 1 1 74 74 GLY N N 15 109.991 0.017 . 1 . . . A 609 GLY N . 18115 1 856 . 1 1 75 75 LEU H H 1 7.353 0.006 . 1 . . . A 610 LEU H . 18115 1 857 . 1 1 75 75 LEU HA H 1 4.087 0.009 . 1 . . . A 610 LEU HA . 18115 1 858 . 1 1 75 75 LEU HB2 H 1 1.600 0.007 . 2 . . . A 610 LEU HB2 . 18115 1 859 . 1 1 75 75 LEU HB3 H 1 1.456 0.008 . 2 . . . A 610 LEU HB3 . 18115 1 860 . 1 1 75 75 LEU HG H 1 1.610 0.006 . 1 . . . A 610 LEU HG . 18115 1 861 . 1 1 75 75 LEU HD11 H 1 0.828 0.011 . 2 . . . A 610 LEU HD11 . 18115 1 862 . 1 1 75 75 LEU HD12 H 1 0.828 0.011 . 2 . . . A 610 LEU HD12 . 18115 1 863 . 1 1 75 75 LEU HD13 H 1 0.828 0.011 . 2 . . . A 610 LEU HD13 . 18115 1 864 . 1 1 75 75 LEU HD21 H 1 0.764 0.011 . 2 . . . A 610 LEU HD21 . 18115 1 865 . 1 1 75 75 LEU HD22 H 1 0.764 0.011 . 2 . . . A 610 LEU HD22 . 18115 1 866 . 1 1 75 75 LEU HD23 H 1 0.764 0.011 . 2 . . . A 610 LEU HD23 . 18115 1 867 . 1 1 75 75 LEU CA C 13 56.615 0.050 . 1 . . . A 610 LEU CA . 18115 1 868 . 1 1 75 75 LEU CB C 13 43.142 0.089 . 1 . . . A 610 LEU CB . 18115 1 869 . 1 1 75 75 LEU CG C 13 27.237 0.020 . 1 . . . A 610 LEU CG . 18115 1 870 . 1 1 75 75 LEU CD1 C 13 26.188 0.049 . 2 . . . A 610 LEU CD1 . 18115 1 871 . 1 1 75 75 LEU CD2 C 13 23.327 0.075 . 2 . . . A 610 LEU CD2 . 18115 1 872 . 1 1 75 75 LEU N N 15 126.041 0.019 . 1 . . . A 610 LEU N . 18115 1 stop_ save_