data_5364 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5364 _Entry.Title ; Structure of the C-terminal FG-binding domain of human Tap ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-05-07 _Entry.Accession_date 2002-05-07 _Entry.Last_release_date 2002-05-30 _Entry.Original_release_date 2002-05-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Richard Grant . P. . 5364 2 David Neuhaus . . . 5364 3 Murray Stewart . . . 5364 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5364 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 456 5364 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 . . 2002-05-30 2002-05-07 original author . 5364 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5364 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11875519 _Citation.Full_citation . _Citation.Title 'Structure of the C-terminal FG-nucleoporin binding domain of Tap/NXF1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 4 _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 247 _Citation.Page_last 251 _Citation.Year 2002 _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 Richard Grant . P. . 5364 1 2 Ed Hurt . . . 5364 1 3 David Neuhaus . . . 5364 1 4 Murray Stewart . . . 5364 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'nuclear transport' 5364 1 'mrna export' 5364 1 uba 5364 1 nucleoporins 5364 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NXF1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NXF1 _Assembly.Entry_ID 5364 _Assembly.ID 1 _Assembly.Name Tap _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5364 1 stop_ 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 Tap 1 $TapC . . . native . . . . . 5364 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1GO5 . . . . . . 5364 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Tap system 5364 1 NXF1 abbreviation 5364 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'nucleoporin binding domain' 5364 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TapC _Entity.Sf_category entity _Entity.Sf_framecode TapC _Entity.Entry_ID 5364 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tap C-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PAPTPSSSPVPTLSPEQQEM LQAFSTQSGMNLEWSQKCLQ DNNWDYTRSAQAFTHLKAKG EIPEVAFMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7712.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1GO5 . "Structure Of The C-Terminal Fg-Binding Domain Of Human Tap" . . . . . 100.00 69 100.00 100.00 1.52e-42 . . . . 5364 1 2 no PDB 1JKG . "Structural Basis For The Recognition Of A Nucleoporin Fg- Repeat By The Ntf2-Like Domain Of Tap-P15 Mrna Nuclear Export Factor" . . . . . 100.00 250 100.00 100.00 1.07e-41 . . . . 5364 1 3 no PDB 1JN5 . "Structural Basis For The Recognition Of A Nucleoporin Fg- Repeat By The Ntf2-Like Domain Of Tap-P15 Mrna Export Factor" . . . . . 100.00 250 100.00 100.00 1.07e-41 . . . . 5364 1 4 no PDB 1OAI . "Complex Between Tap Uba Domain And Fxfg Nucleoporin Peptide" . . . . . 85.51 59 100.00 100.00 1.72e-35 . . . . 5364 1 5 no DBJ BAC36922 . "unnamed protein product [Mus musculus]" . . . . . 98.55 618 98.53 98.53 3.33e-37 . . . . 5364 1 6 no DBJ BAE21911 . "unnamed protein product [Mus musculus]" . . . . . 98.55 618 98.53 98.53 3.13e-37 . . . . 5364 1 7 no DBJ BAE39590 . "unnamed protein product [Mus musculus]" . . . . . 98.55 618 98.53 98.53 3.13e-37 . . . . 5364 1 8 no DBJ BAF57209 . "nuclear RNA export factor 1 [Equus caballus]" . . . . . 100.00 404 100.00 100.00 1.34e-40 . . . . 5364 1 9 no DBJ BAI46500 . "nuclear RNA export factor 1 [synthetic construct]" . . . . . 100.00 619 100.00 100.00 9.50e-40 . . . . 5364 1 10 no EMBL CAA10753 . "nuclear RNA export factor 1 [Homo sapiens]" . . . . . 100.00 619 100.00 100.00 9.50e-40 . . . . 5364 1 11 no EMBL CAH18465 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 281 100.00 100.00 3.40e-41 . . . . 5364 1 12 no EMBL CAH92408 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 626 100.00 100.00 1.05e-39 . . . . 5364 1 13 no GB AAB81111 . "tip associating protein [Homo sapiens]" . . . . . 100.00 559 100.00 100.00 6.76e-40 . . . . 5364 1 14 no GB AAC63367 . "tip associating protein [Rattus norvegicus]" . . . . . 100.00 618 97.10 98.55 5.76e-38 . . . . 5364 1 15 no GB AAC63368 . "tip associating protein [Mus musculus]" . . . . . 98.55 618 98.53 98.53 3.10e-37 . . . . 5364 1 16 no GB AAD20016 . "tip-associated protein TAP [Homo sapiens]" . . . . . 100.00 619 100.00 100.00 9.79e-40 . . . . 5364 1 17 no GB AAD39102 . "tip associating protein [Homo sapiens]" . . . . . 100.00 619 100.00 100.00 9.50e-40 . . . . 5364 1 18 no REF NP_001069023 . "nuclear RNA export factor 1 [Bos taurus]" . . . . . 100.00 620 100.00 100.00 6.61e-40 . . . . 5364 1 19 no REF NP_001091076 . "nuclear RNA export factor 1 [Equus caballus]" . . . . . 100.00 404 100.00 100.00 1.34e-40 . . . . 5364 1 20 no REF NP_001230279 . "nuclear RNA export factor 1 [Sus scrofa]" . . . . . 100.00 620 98.55 100.00 4.10e-39 . . . . 5364 1 21 no REF NP_001267329 . "nuclear RNA export factor 1 [Pan troglodytes]" . . . . . 100.00 619 100.00 100.00 9.59e-40 . . . . 5364 1 22 no REF NP_006353 . "nuclear RNA export factor 1 isoform 1 [Homo sapiens]" . . . . . 100.00 619 100.00 100.00 9.50e-40 . . . . 5364 1 23 no SP O88984 . "RecName: Full=Nuclear RNA export factor 1; AltName: Full=Tip-associated protein; AltName: Full=Tip-associating protein; AltName" . . . . . 100.00 618 97.10 98.55 5.76e-38 . . . . 5364 1 24 no SP Q1RMS5 . "RecName: Full=Nuclear RNA export factor 1 [Bos taurus]" . . . . . 100.00 620 100.00 100.00 6.61e-40 . . . . 5364 1 25 no SP Q5R752 . "RecName: Full=Nuclear RNA export factor 1 [Pongo abelii]" . . . . . 100.00 626 100.00 100.00 1.05e-39 . . . . 5364 1 26 no SP Q99JX7 . "RecName: Full=Nuclear RNA export factor 1; AltName: Full=Tip-associated protein; AltName: Full=Tip-associating protein; AltName" . . . . . 98.55 618 98.53 98.53 3.13e-37 . . . . 5364 1 27 no SP Q9UBU9 . "RecName: Full=Nuclear RNA export factor 1; AltName: Full=Tip-associated protein; AltName: Full=Tip-associating protein; AltName" . . . . . 100.00 619 100.00 100.00 9.50e-40 . . . . 5364 1 28 no TPG DAA13760 . "TPA: nuclear RNA export factor 1 [Bos taurus]" . . . . . 100.00 620 100.00 100.00 6.61e-40 . . . . 5364 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tap C-terminal domain' common 5364 1 none variant 5364 1 TapC abbreviation 5364 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 1 551 PRO . 5364 1 2 552 ALA . 5364 1 3 553 PRO . 5364 1 4 554 THR . 5364 1 5 555 PRO . 5364 1 6 556 SER . 5364 1 7 557 SER . 5364 1 8 558 SER . 5364 1 9 559 PRO . 5364 1 10 560 VAL . 5364 1 11 561 PRO . 5364 1 12 562 THR . 5364 1 13 563 LEU . 5364 1 14 564 SER . 5364 1 15 565 PRO . 5364 1 16 566 GLU . 5364 1 17 567 GLN . 5364 1 18 568 GLN . 5364 1 19 569 GLU . 5364 1 20 570 MET . 5364 1 21 571 LEU . 5364 1 22 572 GLN . 5364 1 23 573 ALA . 5364 1 24 574 PHE . 5364 1 25 575 SER . 5364 1 26 576 THR . 5364 1 27 577 GLN . 5364 1 28 578 SER . 5364 1 29 579 GLY . 5364 1 30 580 MET . 5364 1 31 581 ASN . 5364 1 32 582 LEU . 5364 1 33 583 GLU . 5364 1 34 584 TRP . 5364 1 35 585 SER . 5364 1 36 586 GLN . 5364 1 37 587 LYS . 5364 1 38 588 CYS . 5364 1 39 589 LEU . 5364 1 40 590 GLN . 5364 1 41 591 ASP . 5364 1 42 592 ASN . 5364 1 43 593 ASN . 5364 1 44 594 TRP . 5364 1 45 595 ASP . 5364 1 46 596 TYR . 5364 1 47 597 THR . 5364 1 48 598 ARG . 5364 1 49 599 SER . 5364 1 50 600 ALA . 5364 1 51 601 GLN . 5364 1 52 602 ALA . 5364 1 53 603 PHE . 5364 1 54 604 THR . 5364 1 55 605 HIS . 5364 1 56 606 LEU . 5364 1 57 607 LYS . 5364 1 58 608 ALA . 5364 1 59 609 LYS . 5364 1 60 610 GLY . 5364 1 61 611 GLU . 5364 1 62 612 ILE . 5364 1 63 613 PRO . 5364 1 64 614 GLU . 5364 1 65 615 VAL . 5364 1 66 616 ALA . 5364 1 67 617 PHE . 5364 1 68 618 MET . 5364 1 69 619 LYS . 5364 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 . PRO 1 1 5364 1 . ALA 2 2 5364 1 . PRO 3 3 5364 1 . THR 4 4 5364 1 . PRO 5 5 5364 1 . SER 6 6 5364 1 . SER 7 7 5364 1 . SER 8 8 5364 1 . PRO 9 9 5364 1 . VAL 10 10 5364 1 . PRO 11 11 5364 1 . THR 12 12 5364 1 . LEU 13 13 5364 1 . SER 14 14 5364 1 . PRO 15 15 5364 1 . GLU 16 16 5364 1 . GLN 17 17 5364 1 . GLN 18 18 5364 1 . GLU 19 19 5364 1 . MET 20 20 5364 1 . LEU 21 21 5364 1 . GLN 22 22 5364 1 . ALA 23 23 5364 1 . PHE 24 24 5364 1 . SER 25 25 5364 1 . THR 26 26 5364 1 . GLN 27 27 5364 1 . SER 28 28 5364 1 . GLY 29 29 5364 1 . MET 30 30 5364 1 . ASN 31 31 5364 1 . LEU 32 32 5364 1 . GLU 33 33 5364 1 . TRP 34 34 5364 1 . SER 35 35 5364 1 . GLN 36 36 5364 1 . LYS 37 37 5364 1 . CYS 38 38 5364 1 . LEU 39 39 5364 1 . GLN 40 40 5364 1 . ASP 41 41 5364 1 . ASN 42 42 5364 1 . ASN 43 43 5364 1 . TRP 44 44 5364 1 . ASP 45 45 5364 1 . TYR 46 46 5364 1 . THR 47 47 5364 1 . ARG 48 48 5364 1 . SER 49 49 5364 1 . ALA 50 50 5364 1 . GLN 51 51 5364 1 . ALA 52 52 5364 1 . PHE 53 53 5364 1 . THR 54 54 5364 1 . HIS 55 55 5364 1 . LEU 56 56 5364 1 . LYS 57 57 5364 1 . ALA 58 58 5364 1 . LYS 59 59 5364 1 . GLY 60 60 5364 1 . GLU 61 61 5364 1 . ILE 62 62 5364 1 . PRO 63 63 5364 1 . GLU 64 64 5364 1 . VAL 65 65 5364 1 . ALA 66 66 5364 1 . PHE 67 67 5364 1 . MET 68 68 5364 1 . LYS 69 69 5364 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 5364 _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 $TapC . 9606 . . 'Homo sapiens' HUMAN . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . nucleus . . . . . . . . 5364 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 5364 _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 $TapC . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pMW172 . . . . . . 5364 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5364 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Tap C-terminal domain' . . . 1 $TapC . . 3 . . mM . . . . 5364 1 2 'potassium phosphate' . . . . . . . 25 . . mM . . . . 5364 1 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5364 1 4 'deuterium oxide' . . . . . . . 10 . . % . . . . 5364 1 5 'sodium trimethylsilyl propionate' . . . . . . . 0.1 . . mM . . . . 5364 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5364 _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 6.0 0.1 n/a 5364 1 temperature 300 0.5 K 5364 1 'ionic strength' 0.07 . M 5364 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5364 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5364 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5364 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5364 _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 NMR_spectrometer_1 Bruker DRX . 500 . . . 5364 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5364 1 3 NMR_spectrometer_3 Bruker Avance . 800 . . . 5364 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 5364 _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 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5364 1 2 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5364 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5364 1 4 DQ-CORR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5364 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5364 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5364 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5364 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5364 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name DQ-CORR _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5364 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5364 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5364 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5364 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 ALA H H 1 8.66 0.01 . 1 . . . . . . . . 5364 1 2 . 1 1 2 2 ALA HA H 1 4.64 0.01 . 1 . . . . . . . . 5364 1 3 . 1 1 2 2 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 5364 1 4 . 1 1 2 2 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5364 1 5 . 1 1 2 2 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5364 1 6 . 1 1 3 3 PRO HA H 1 4.50 0.01 . 1 . . . . . . . . 5364 1 7 . 1 1 4 4 THR H H 1 8.42 0.01 . 1 . . . . . . . . 5364 1 8 . 1 1 4 4 THR HA H 1 4.59 0.01 . 1 . . . . . . . . 5364 1 9 . 1 1 4 4 THR HB H 1 4.18 0.01 . 1 . . . . . . . . 5364 1 10 . 1 1 4 4 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5364 1 11 . 1 1 4 4 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5364 1 12 . 1 1 4 4 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5364 1 13 . 1 1 5 5 PRO HA H 1 4.46 0.01 . 1 . . . . . . . . 5364 1 14 . 1 1 5 5 PRO HB2 H 1 2.35 0.01 . 2 . . . . . . . . 5364 1 15 . 1 1 5 5 PRO HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5364 1 16 . 1 1 5 5 PRO HG2 H 1 2.03 0.01 . 2 . . . . . . . . 5364 1 17 . 1 1 5 5 PRO HG3 H 1 1.96 0.01 . 2 . . . . . . . . 5364 1 18 . 1 1 5 5 PRO HD2 H 1 3.89 0.01 . 2 . . . . . . . . 5364 1 19 . 1 1 5 5 PRO HD3 H 1 3.74 0.01 . 2 . . . . . . . . 5364 1 20 . 1 1 6 6 SER H H 1 8.52 0.01 . 1 . . . . . . . . 5364 1 21 . 1 1 6 6 SER HA H 1 4.47 0.01 . 1 . . . . . . . . 5364 1 22 . 1 1 6 6 SER HB2 H 1 3.93 0.01 . 2 . . . . . . . . 5364 1 23 . 1 1 6 6 SER HB3 H 1 3.87 0.01 . 2 . . . . . . . . 5364 1 24 . 1 1 7 7 SER H H 1 8.39 0.01 . 1 . . . . . . . . 5364 1 25 . 1 1 7 7 SER HA H 1 4.52 0.01 . 1 . . . . . . . . 5364 1 26 . 1 1 7 7 SER HB2 H 1 3.90 0.01 . 2 . . . . . . . . 5364 1 27 . 1 1 7 7 SER HB3 H 1 3.87 0.01 . 2 . . . . . . . . 5364 1 28 . 1 1 8 8 SER H H 1 8.34 0.01 . 1 . . . . . . . . 5364 1 29 . 1 1 8 8 SER HA H 1 4.80 0.01 . 1 . . . . . . . . 5364 1 30 . 1 1 8 8 SER HB2 H 1 3.87 0.01 . 2 . . . . . . . . 5364 1 31 . 1 1 8 8 SER HB3 H 1 3.80 0.01 . 2 . . . . . . . . 5364 1 32 . 1 1 10 10 VAL H H 1 8.28 0.01 . 1 . . . . . . . . 5364 1 33 . 1 1 10 10 VAL HA H 1 4.38 0.01 . 1 . . . . . . . . 5364 1 34 . 1 1 10 10 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 5364 1 35 . 1 1 10 10 VAL HG11 H 1 0.99 0.01 . 2 . . . . . . . . 5364 1 36 . 1 1 10 10 VAL HG12 H 1 0.99 0.01 . 2 . . . . . . . . 5364 1 37 . 1 1 10 10 VAL HG13 H 1 0.99 0.01 . 2 . . . . . . . . 5364 1 38 . 1 1 10 10 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 5364 1 39 . 1 1 10 10 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 5364 1 40 . 1 1 10 10 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 5364 1 41 . 1 1 12 12 THR H H 1 8.25 0.01 . 1 . . . . . . . . 5364 1 42 . 1 1 12 12 THR HA H 1 4.28 0.01 . 1 . . . . . . . . 5364 1 43 . 1 1 12 12 THR HB H 1 4.13 0.01 . 1 . . . . . . . . 5364 1 44 . 1 1 12 12 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 5364 1 45 . 1 1 12 12 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 5364 1 46 . 1 1 12 12 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 5364 1 47 . 1 1 13 13 LEU H H 1 8.28 0.01 . 1 . . . . . . . . 5364 1 48 . 1 1 13 13 LEU HA H 1 4.44 0.01 . 1 . . . . . . . . 5364 1 49 . 1 1 13 13 LEU HB2 H 1 1.65 0.01 . 2 . . . . . . . . 5364 1 50 . 1 1 13 13 LEU HB3 H 1 1.67 0.01 . 2 . . . . . . . . 5364 1 51 . 1 1 13 13 LEU HG H 1 1.30 0.01 . 1 . . . . . . . . 5364 1 52 . 1 1 13 13 LEU HD11 H 1 0.71 0.01 . 2 . . . . . . . . 5364 1 53 . 1 1 13 13 LEU HD12 H 1 0.71 0.01 . 2 . . . . . . . . 5364 1 54 . 1 1 13 13 LEU HD13 H 1 0.71 0.01 . 2 . . . . . . . . 5364 1 55 . 1 1 13 13 LEU HD21 H 1 0.87 0.01 . 2 . . . . . . . . 5364 1 56 . 1 1 13 13 LEU HD22 H 1 0.87 0.01 . 2 . . . . . . . . 5364 1 57 . 1 1 13 13 LEU HD23 H 1 0.87 0.01 . 2 . . . . . . . . 5364 1 58 . 1 1 14 14 SER H H 1 8.87 0.01 . 1 . . . . . . . . 5364 1 59 . 1 1 14 14 SER HA H 1 4.66 0.01 . 1 . . . . . . . . 5364 1 60 . 1 1 14 14 SER HB2 H 1 4.38 0.01 . 2 . . . . . . . . 5364 1 61 . 1 1 14 14 SER HB3 H 1 3.84 0.01 . 2 . . . . . . . . 5364 1 62 . 1 1 15 15 PRO HA H 1 4.24 0.01 . 1 . . . . . . . . 5364 1 63 . 1 1 15 15 PRO HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5364 1 64 . 1 1 15 15 PRO HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5364 1 65 . 1 1 15 15 PRO HG2 H 1 2.24 0.01 . 2 . . . . . . . . 5364 1 66 . 1 1 15 15 PRO HG3 H 1 2.03 0.01 . 2 . . . . . . . . 5364 1 67 . 1 1 15 15 PRO HD2 H 1 3.92 0.01 . 2 . . . . . . . . 5364 1 68 . 1 1 15 15 PRO HD3 H 1 3.90 0.01 . 2 . . . . . . . . 5364 1 69 . 1 1 16 16 GLU H H 1 8.79 0.01 . 1 . . . . . . . . 5364 1 70 . 1 1 16 16 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5364 1 71 . 1 1 16 16 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5364 1 72 . 1 1 16 16 GLU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 5364 1 73 . 1 1 16 16 GLU HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5364 1 74 . 1 1 16 16 GLU HG3 H 1 2.23 0.01 . 2 . . . . . . . . 5364 1 75 . 1 1 17 17 GLN H H 1 7.76 0.01 . 1 . . . . . . . . 5364 1 76 . 1 1 17 17 GLN HA H 1 3.86 0.01 . 1 . . . . . . . . 5364 1 77 . 1 1 17 17 GLN HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5364 1 78 . 1 1 17 17 GLN HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5364 1 79 . 1 1 17 17 GLN HG2 H 1 0.87 0.01 . 2 . . . . . . . . 5364 1 80 . 1 1 17 17 GLN HG3 H 1 0.92 0.01 . 2 . . . . . . . . 5364 1 81 . 1 1 17 17 GLN HE21 H 1 6.87 0.01 . 2 . . . . . . . . 5364 1 82 . 1 1 17 17 GLN HE22 H 1 7.25 0.01 . 2 . . . . . . . . 5364 1 83 . 1 1 18 18 GLN H H 1 8.65 0.01 . 1 . . . . . . . . 5364 1 84 . 1 1 18 18 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . 5364 1 85 . 1 1 18 18 GLN HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5364 1 86 . 1 1 18 18 GLN HB3 H 1 2.17 0.01 . 2 . . . . . . . . 5364 1 87 . 1 1 18 18 GLN HG2 H 1 2.40 0.01 . 2 . . . . . . . . 5364 1 88 . 1 1 18 18 GLN HG3 H 1 2.34 0.01 . 2 . . . . . . . . 5364 1 89 . 1 1 18 18 GLN HE21 H 1 7.01 0.01 . 2 . . . . . . . . 5364 1 90 . 1 1 18 18 GLN HE22 H 1 7.93 0.01 . 2 . . . . . . . . 5364 1 91 . 1 1 19 19 GLU H H 1 8.06 0.01 . 1 . . . . . . . . 5364 1 92 . 1 1 19 19 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 5364 1 93 . 1 1 19 19 GLU HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5364 1 94 . 1 1 19 19 GLU HB3 H 1 2.16 0.01 . 2 . . . . . . . . 5364 1 95 . 1 1 19 19 GLU HG2 H 1 2.45 0.01 . 2 . . . . . . . . 5364 1 96 . 1 1 19 19 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 5364 1 97 . 1 1 20 20 MET H H 1 8.12 0.01 . 1 . . . . . . . . 5364 1 98 . 1 1 20 20 MET HA H 1 4.34 0.01 . 1 . . . . . . . . 5364 1 99 . 1 1 20 20 MET HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5364 1 100 . 1 1 20 20 MET HB3 H 1 2.38 0.01 . 2 . . . . . . . . 5364 1 101 . 1 1 20 20 MET HG2 H 1 3.02 0.01 . 2 . . . . . . . . 5364 1 102 . 1 1 20 20 MET HG3 H 1 2.79 0.01 . 2 . . . . . . . . 5364 1 103 . 1 1 20 20 MET HE1 H 1 2.40 0.01 . 1 . . . . . . . . 5364 1 104 . 1 1 20 20 MET HE2 H 1 2.40 0.01 . 1 . . . . . . . . 5364 1 105 . 1 1 20 20 MET HE3 H 1 2.40 0.01 . 1 . . . . . . . . 5364 1 106 . 1 1 21 21 LEU H H 1 8.95 0.01 . 1 . . . . . . . . 5364 1 107 . 1 1 21 21 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 5364 1 108 . 1 1 21 21 LEU HB2 H 1 2.30 0.01 . 2 . . . . . . . . 5364 1 109 . 1 1 21 21 LEU HB3 H 1 2.28 0.01 . 2 . . . . . . . . 5364 1 110 . 1 1 21 21 LEU HG H 1 1.74 0.01 . 1 . . . . . . . . 5364 1 111 . 1 1 21 21 LEU HD11 H 1 1.71 0.01 . 2 . . . . . . . . 5364 1 112 . 1 1 21 21 LEU HD12 H 1 1.71 0.01 . 2 . . . . . . . . 5364 1 113 . 1 1 21 21 LEU HD13 H 1 1.71 0.01 . 2 . . . . . . . . 5364 1 114 . 1 1 21 21 LEU HD21 H 1 1.06 0.01 . 2 . . . . . . . . 5364 1 115 . 1 1 21 21 LEU HD22 H 1 1.06 0.01 . 2 . . . . . . . . 5364 1 116 . 1 1 21 21 LEU HD23 H 1 1.06 0.01 . 2 . . . . . . . . 5364 1 117 . 1 1 22 22 GLN H H 1 7.92 0.01 . 1 . . . . . . . . 5364 1 118 . 1 1 22 22 GLN HA H 1 4.02 0.01 . 1 . . . . . . . . 5364 1 119 . 1 1 22 22 GLN HB2 H 1 2.25 0.01 . 1 . . . . . . . . 5364 1 120 . 1 1 22 22 GLN HB3 H 1 2.25 0.01 . 1 . . . . . . . . 5364 1 121 . 1 1 22 22 GLN HG2 H 1 2.57 0.01 . 1 . . . . . . . . 5364 1 122 . 1 1 22 22 GLN HG3 H 1 2.57 0.01 . 1 . . . . . . . . 5364 1 123 . 1 1 22 22 GLN HE21 H 1 6.92 0.01 . 2 . . . . . . . . 5364 1 124 . 1 1 22 22 GLN HE22 H 1 7.52 0.01 . 2 . . . . . . . . 5364 1 125 . 1 1 23 23 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 5364 1 126 . 1 1 23 23 ALA HA H 1 4.23 0.01 . 1 . . . . . . . . 5364 1 127 . 1 1 23 23 ALA HB1 H 1 1.68 0.01 . 1 . . . . . . . . 5364 1 128 . 1 1 23 23 ALA HB2 H 1 1.68 0.01 . 1 . . . . . . . . 5364 1 129 . 1 1 23 23 ALA HB3 H 1 1.68 0.01 . 1 . . . . . . . . 5364 1 130 . 1 1 24 24 PHE H H 1 9.46 0.01 . 1 . . . . . . . . 5364 1 131 . 1 1 24 24 PHE HA H 1 4.31 0.01 . 1 . . . . . . . . 5364 1 132 . 1 1 24 24 PHE HB2 H 1 3.47 0.01 . 2 . . . . . . . . 5364 1 133 . 1 1 24 24 PHE HB3 H 1 2.95 0.01 . 2 . . . . . . . . 5364 1 134 . 1 1 24 24 PHE HD1 H 1 6.74 0.01 . 1 . . . . . . . . 5364 1 135 . 1 1 24 24 PHE HD2 H 1 6.74 0.01 . 1 . . . . . . . . 5364 1 136 . 1 1 24 24 PHE HE1 H 1 7.04 0.01 . 1 . . . . . . . . 5364 1 137 . 1 1 24 24 PHE HE2 H 1 7.04 0.01 . 1 . . . . . . . . 5364 1 138 . 1 1 24 24 PHE HZ H 1 6.75 0.01 . 1 . . . . . . . . 5364 1 139 . 1 1 25 25 SER H H 1 8.65 0.01 . 1 . . . . . . . . 5364 1 140 . 1 1 25 25 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 5364 1 141 . 1 1 25 25 SER HB2 H 1 5.41 0.01 . 2 . . . . . . . . 5364 1 142 . 1 1 25 25 SER HB3 H 1 3.97 0.01 . 2 . . . . . . . . 5364 1 143 . 1 1 26 26 THR H H 1 8.09 0.01 . 1 . . . . . . . . 5364 1 144 . 1 1 26 26 THR HA H 1 3.89 0.01 . 1 . . . . . . . . 5364 1 145 . 1 1 26 26 THR HB H 1 4.31 0.01 . 1 . . . . . . . . 5364 1 146 . 1 1 26 26 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 5364 1 147 . 1 1 26 26 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 5364 1 148 . 1 1 26 26 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 5364 1 149 . 1 1 27 27 GLN H H 1 8.26 0.01 . 1 . . . . . . . . 5364 1 150 . 1 1 27 27 GLN HA H 1 4.02 0.01 . 1 . . . . . . . . 5364 1 151 . 1 1 27 27 GLN HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5364 1 152 . 1 1 27 27 GLN HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5364 1 153 . 1 1 27 27 GLN HG2 H 1 2.43 0.01 . 2 . . . . . . . . 5364 1 154 . 1 1 27 27 GLN HG3 H 1 2.22 0.01 . 2 . . . . . . . . 5364 1 155 . 1 1 27 27 GLN HE21 H 1 7.05 0.01 . 2 . . . . . . . . 5364 1 156 . 1 1 27 27 GLN HE22 H 1 7.63 0.01 . 2 . . . . . . . . 5364 1 157 . 1 1 28 28 SER H H 1 8.25 0.01 . 1 . . . . . . . . 5364 1 158 . 1 1 28 28 SER HA H 1 3.67 0.01 . 1 . . . . . . . . 5364 1 159 . 1 1 28 28 SER HB2 H 1 3.67 0.01 . 1 . . . . . . . . 5364 1 160 . 1 1 28 28 SER HB3 H 1 3.67 0.01 . 1 . . . . . . . . 5364 1 161 . 1 1 29 29 GLY H H 1 7.75 0.01 . 1 . . . . . . . . 5364 1 162 . 1 1 29 29 GLY HA2 H 1 4.38 0.01 . 2 . . . . . . . . 5364 1 163 . 1 1 29 29 GLY HA3 H 1 3.81 0.01 . 2 . . . . . . . . 5364 1 164 . 1 1 30 30 MET H H 1 7.97 0.01 . 1 . . . . . . . . 5364 1 165 . 1 1 30 30 MET HA H 1 4.45 0.01 . 1 . . . . . . . . 5364 1 166 . 1 1 30 30 MET HB2 H 1 2.26 0.01 . 2 . . . . . . . . 5364 1 167 . 1 1 30 30 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5364 1 168 . 1 1 30 30 MET HG2 H 1 1.82 0.01 . 2 . . . . . . . . 5364 1 169 . 1 1 30 30 MET HG3 H 1 1.18 0.01 . 2 . . . . . . . . 5364 1 170 . 1 1 30 30 MET HE1 H 1 1.86 0.01 . 1 . . . . . . . . 5364 1 171 . 1 1 30 30 MET HE2 H 1 1.86 0.01 . 1 . . . . . . . . 5364 1 172 . 1 1 30 30 MET HE3 H 1 1.86 0.01 . 1 . . . . . . . . 5364 1 173 . 1 1 31 31 ASN H H 1 8.67 0.01 . 1 . . . . . . . . 5364 1 174 . 1 1 31 31 ASN HA H 1 4.48 0.01 . 1 . . . . . . . . 5364 1 175 . 1 1 31 31 ASN HB2 H 1 3.57 0.01 . 2 . . . . . . . . 5364 1 176 . 1 1 31 31 ASN HB3 H 1 2.85 0.01 . 2 . . . . . . . . 5364 1 177 . 1 1 31 31 ASN HD21 H 1 6.78 0.01 . 2 . . . . . . . . 5364 1 178 . 1 1 31 31 ASN HD22 H 1 7.71 0.01 . 2 . . . . . . . . 5364 1 179 . 1 1 32 32 LEU H H 1 8.9 0.01 . 1 . . . . . . . . 5364 1 180 . 1 1 32 32 LEU HA H 1 4.00 0.01 . 1 . . . . . . . . 5364 1 181 . 1 1 32 32 LEU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 5364 1 182 . 1 1 32 32 LEU HB3 H 1 1.60 0.01 . 2 . . . . . . . . 5364 1 183 . 1 1 32 32 LEU HG H 1 1.92 0.01 . 1 . . . . . . . . 5364 1 184 . 1 1 32 32 LEU HD11 H 1 1.04 0.01 . 2 . . . . . . . . 5364 1 185 . 1 1 32 32 LEU HD12 H 1 1.04 0.01 . 2 . . . . . . . . 5364 1 186 . 1 1 32 32 LEU HD13 H 1 1.04 0.01 . 2 . . . . . . . . 5364 1 187 . 1 1 32 32 LEU HD21 H 1 0.94 0.01 . 2 . . . . . . . . 5364 1 188 . 1 1 32 32 LEU HD22 H 1 0.94 0.01 . 2 . . . . . . . . 5364 1 189 . 1 1 32 32 LEU HD23 H 1 0.94 0.01 . 2 . . . . . . . . 5364 1 190 . 1 1 33 33 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 5364 1 191 . 1 1 33 33 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 5364 1 192 . 1 1 33 33 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5364 1 193 . 1 1 33 33 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5364 1 194 . 1 1 33 33 GLU HG2 H 1 1.92 0.01 . 2 . . . . . . . . 5364 1 195 . 1 1 33 33 GLU HG3 H 1 1.91 0.01 . 2 . . . . . . . . 5364 1 196 . 1 1 34 34 TRP H H 1 9.01 0.01 . 1 . . . . . . . . 5364 1 197 . 1 1 34 34 TRP HA H 1 3.91 0.01 . 1 . . . . . . . . 5364 1 198 . 1 1 34 34 TRP HB2 H 1 3.69 0.01 . 2 . . . . . . . . 5364 1 199 . 1 1 34 34 TRP HB3 H 1 3.01 0.01 . 2 . . . . . . . . 5364 1 200 . 1 1 34 34 TRP HD1 H 1 7.65 0.01 . 1 . . . . . . . . 5364 1 201 . 1 1 34 34 TRP HE1 H 1 10.21 0.01 . 1 . . . . . . . . 5364 1 202 . 1 1 34 34 TRP HE3 H 1 7.65 0.01 . 1 . . . . . . . . 5364 1 203 . 1 1 34 34 TRP HZ2 H 1 7.43 0.01 . 1 . . . . . . . . 5364 1 204 . 1 1 34 34 TRP HZ3 H 1 7.16 0.01 . 1 . . . . . . . . 5364 1 205 . 1 1 34 34 TRP HH2 H 1 7.24 0.01 . 1 . . . . . . . . 5364 1 206 . 1 1 35 35 SER H H 1 8.73 0.01 . 1 . . . . . . . . 5364 1 207 . 1 1 35 35 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 5364 1 208 . 1 1 35 35 SER HB2 H 1 3.70 0.01 . 2 . . . . . . . . 5364 1 209 . 1 1 35 35 SER HB3 H 1 3.55 0.01 . 2 . . . . . . . . 5364 1 210 . 1 1 36 36 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 5364 1 211 . 1 1 36 36 GLN HA H 1 3.45 0.01 . 1 . . . . . . . . 5364 1 212 . 1 1 36 36 GLN HB2 H 1 2.31 0.01 . 2 . . . . . . . . 5364 1 213 . 1 1 36 36 GLN HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5364 1 214 . 1 1 36 36 GLN HG2 H 1 2.39 0.01 . 2 . . . . . . . . 5364 1 215 . 1 1 36 36 GLN HG3 H 1 2.37 0.01 . 2 . . . . . . . . 5364 1 216 . 1 1 36 36 GLN HE21 H 1 6.86 0.01 . 2 . . . . . . . . 5364 1 217 . 1 1 36 36 GLN HE22 H 1 7.62 0.01 . 2 . . . . . . . . 5364 1 218 . 1 1 37 37 LYS H H 1 7.44 0.01 . 1 . . . . . . . . 5364 1 219 . 1 1 37 37 LYS HA H 1 3.75 0.01 . 1 . . . . . . . . 5364 1 220 . 1 1 37 37 LYS HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5364 1 221 . 1 1 37 37 LYS HB3 H 1 1.54 0.01 . 2 . . . . . . . . 5364 1 222 . 1 1 37 37 LYS HG2 H 1 1.24 0.01 . 2 . . . . . . . . 5364 1 223 . 1 1 37 37 LYS HG3 H 1 1.10 0.01 . 2 . . . . . . . . 5364 1 224 . 1 1 37 37 LYS HD2 H 1 1.04 0.01 . 2 . . . . . . . . 5364 1 225 . 1 1 37 37 LYS HD3 H 1 0.97 0.01 . 2 . . . . . . . . 5364 1 226 . 1 1 37 37 LYS HE2 H 1 2.45 0.01 . 1 . . . . . . . . 5364 1 227 . 1 1 37 37 LYS HE3 H 1 2.45 0.01 . 1 . . . . . . . . 5364 1 228 . 1 1 38 38 CYS H H 1 7.49 0.01 . 1 . . . . . . . . 5364 1 229 . 1 1 38 38 CYS HA H 1 3.95 0.01 . 1 . . . . . . . . 5364 1 230 . 1 1 38 38 CYS HB2 H 1 3.04 0.01 . 2 . . . . . . . . 5364 1 231 . 1 1 38 38 CYS HB3 H 1 2.57 0.01 . 2 . . . . . . . . 5364 1 232 . 1 1 39 39 LEU H H 1 7.47 0.01 . 1 . . . . . . . . 5364 1 233 . 1 1 39 39 LEU HA H 1 3.74 0.01 . 1 . . . . . . . . 5364 1 234 . 1 1 39 39 LEU HB2 H 1 0.59 0.01 . 2 . . . . . . . . 5364 1 235 . 1 1 39 39 LEU HB3 H 1 -0.42 0.01 . 2 . . . . . . . . 5364 1 236 . 1 1 39 39 LEU HG H 1 0.54 0.01 . 1 . . . . . . . . 5364 1 237 . 1 1 39 39 LEU HD11 H 1 0.59 0.01 . 2 . . . . . . . . 5364 1 238 . 1 1 39 39 LEU HD12 H 1 0.59 0.01 . 2 . . . . . . . . 5364 1 239 . 1 1 39 39 LEU HD13 H 1 0.59 0.01 . 2 . . . . . . . . 5364 1 240 . 1 1 39 39 LEU HD21 H 1 0.32 0.01 . 2 . . . . . . . . 5364 1 241 . 1 1 39 39 LEU HD22 H 1 0.32 0.01 . 2 . . . . . . . . 5364 1 242 . 1 1 39 39 LEU HD23 H 1 0.32 0.01 . 2 . . . . . . . . 5364 1 243 . 1 1 40 40 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 5364 1 244 . 1 1 40 40 GLN HA H 1 3.35 0.01 . 1 . . . . . . . . 5364 1 245 . 1 1 40 40 GLN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5364 1 246 . 1 1 40 40 GLN HB3 H 1 2.00 0.01 . 2 . . . . . . . . 5364 1 247 . 1 1 40 40 GLN HG2 H 1 2.55 0.01 . 2 . . . . . . . . 5364 1 248 . 1 1 40 40 GLN HG3 H 1 2.43 0.01 . 2 . . . . . . . . 5364 1 249 . 1 1 40 40 GLN HE21 H 1 7.13 0.01 . 2 . . . . . . . . 5364 1 250 . 1 1 40 40 GLN HE22 H 1 7.70 0.01 . 2 . . . . . . . . 5364 1 251 . 1 1 41 41 ASP H H 1 8.35 0.01 . 1 . . . . . . . . 5364 1 252 . 1 1 41 41 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 5364 1 253 . 1 1 41 41 ASP HB2 H 1 2.76 0.01 . 2 . . . . . . . . 5364 1 254 . 1 1 41 41 ASP HB3 H 1 2.56 0.01 . 2 . . . . . . . . 5364 1 255 . 1 1 42 42 ASN H H 1 7.12 0.01 . 1 . . . . . . . . 5364 1 256 . 1 1 42 42 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 5364 1 257 . 1 1 42 42 ASN HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5364 1 258 . 1 1 42 42 ASN HB3 H 1 2.54 0.01 . 2 . . . . . . . . 5364 1 259 . 1 1 42 42 ASN HD21 H 1 7.01 0.01 . 2 . . . . . . . . 5364 1 260 . 1 1 42 42 ASN HD22 H 1 7.93 0.01 . 2 . . . . . . . . 5364 1 261 . 1 1 43 43 ASN H H 1 7.87 0.01 . 1 . . . . . . . . 5364 1 262 . 1 1 43 43 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 5364 1 263 . 1 1 43 43 ASN HB2 H 1 3.17 0.01 . 2 . . . . . . . . 5364 1 264 . 1 1 43 43 ASN HB3 H 1 2.72 0.01 . 2 . . . . . . . . 5364 1 265 . 1 1 43 43 ASN HD21 H 1 6.95 0.01 . 2 . . . . . . . . 5364 1 266 . 1 1 43 43 ASN HD22 H 1 7.66 0.01 . 2 . . . . . . . . 5364 1 267 . 1 1 44 44 TRP H H 1 8.96 0.01 . 1 . . . . . . . . 5364 1 268 . 1 1 44 44 TRP HA H 1 3.22 0.01 . 1 . . . . . . . . 5364 1 269 . 1 1 44 44 TRP HB2 H 1 3.66 0.01 . 2 . . . . . . . . 5364 1 270 . 1 1 44 44 TRP HB3 H 1 3.14 0.01 . 2 . . . . . . . . 5364 1 271 . 1 1 44 44 TRP HD1 H 1 7.16 0.01 . 1 . . . . . . . . 5364 1 272 . 1 1 44 44 TRP HE1 H 1 10.19 0.01 . 1 . . . . . . . . 5364 1 273 . 1 1 44 44 TRP HE3 H 1 7.90 0.01 . 1 . . . . . . . . 5364 1 274 . 1 1 44 44 TRP HZ2 H 1 7.41 0.01 . 1 . . . . . . . . 5364 1 275 . 1 1 44 44 TRP HZ3 H 1 7.26 0.01 . 1 . . . . . . . . 5364 1 276 . 1 1 44 44 TRP HH2 H 1 6.90 0.01 . 1 . . . . . . . . 5364 1 277 . 1 1 45 45 ASP H H 1 7.13 0.01 . 1 . . . . . . . . 5364 1 278 . 1 1 45 45 ASP HA H 1 4.94 0.01 . 1 . . . . . . . . 5364 1 279 . 1 1 45 45 ASP HB2 H 1 3.14 0.01 . 2 . . . . . . . . 5364 1 280 . 1 1 45 45 ASP HB3 H 1 2.58 0.01 . 2 . . . . . . . . 5364 1 281 . 1 1 46 46 TYR H H 1 9.45 0.01 . 1 . . . . . . . . 5364 1 282 . 1 1 46 46 TYR HA H 1 3.60 0.01 . 1 . . . . . . . . 5364 1 283 . 1 1 46 46 TYR HB2 H 1 4.05 0.01 . 2 . . . . . . . . 5364 1 284 . 1 1 46 46 TYR HB3 H 1 3.24 0.01 . 2 . . . . . . . . 5364 1 285 . 1 1 46 46 TYR HD1 H 1 7.11 0.01 . 1 . . . . . . . . 5364 1 286 . 1 1 46 46 TYR HD2 H 1 7.11 0.01 . 1 . . . . . . . . 5364 1 287 . 1 1 46 46 TYR HE1 H 1 7.05 0.01 . 1 . . . . . . . . 5364 1 288 . 1 1 46 46 TYR HE2 H 1 7.05 0.01 . 1 . . . . . . . . 5364 1 289 . 1 1 47 47 THR H H 1 8.45 0.01 . 1 . . . . . . . . 5364 1 290 . 1 1 47 47 THR HA H 1 4.04 0.01 . 2 . . . . . . . . 5364 1 291 . 1 1 47 47 THR HB H 1 4.37 0.01 . 1 . . . . . . . . 5364 1 292 . 1 1 47 47 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . 5364 1 293 . 1 1 47 47 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . 5364 1 294 . 1 1 47 47 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . 5364 1 295 . 1 1 48 48 ARG H H 1 8.57 0.01 . 1 . . . . . . . . 5364 1 296 . 1 1 48 48 ARG HA H 1 4.05 0.01 . 1 . . . . . . . . 5364 1 297 . 1 1 48 48 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 5364 1 298 . 1 1 48 48 ARG HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5364 1 299 . 1 1 48 48 ARG HG2 H 1 1.66 0.01 . 2 . . . . . . . . 5364 1 300 . 1 1 48 48 ARG HG3 H 1 1.63 0.01 . 2 . . . . . . . . 5364 1 301 . 1 1 48 48 ARG HD2 H 1 3.28 0.01 . 2 . . . . . . . . 5364 1 302 . 1 1 48 48 ARG HD3 H 1 3.22 0.01 . 2 . . . . . . . . 5364 1 303 . 1 1 49 49 SER H H 1 8.29 0.01 . 1 . . . . . . . . 5364 1 304 . 1 1 49 49 SER HA H 1 4.06 0.01 . 1 . . . . . . . . 5364 1 305 . 1 1 49 49 SER HB2 H 1 3.55 0.01 . 2 . . . . . . . . 5364 1 306 . 1 1 49 49 SER HB3 H 1 3.05 0.01 . 2 . . . . . . . . 5364 1 307 . 1 1 50 50 ALA H H 1 8.74 0.01 . 1 . . . . . . . . 5364 1 308 . 1 1 50 50 ALA HA H 1 4.23 0.01 . 1 . . . . . . . . 5364 1 309 . 1 1 50 50 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 5364 1 310 . 1 1 50 50 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 5364 1 311 . 1 1 50 50 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 5364 1 312 . 1 1 51 51 GLN H H 1 8.16 0.01 . 1 . . . . . . . . 5364 1 313 . 1 1 51 51 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 5364 1 314 . 1 1 51 51 GLN HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5364 1 315 . 1 1 51 51 GLN HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5364 1 316 . 1 1 51 51 GLN HG2 H 1 2.62 0.01 . 2 . . . . . . . . 5364 1 317 . 1 1 51 51 GLN HG3 H 1 2.42 0.01 . 2 . . . . . . . . 5364 1 318 . 1 1 51 51 GLN HE21 H 1 6.88 0.01 . 2 . . . . . . . . 5364 1 319 . 1 1 51 51 GLN HE22 H 1 7.48 0.01 . 2 . . . . . . . . 5364 1 320 . 1 1 52 52 ALA H H 1 8.36 0.01 . 1 . . . . . . . . 5364 1 321 . 1 1 52 52 ALA HA H 1 4.26 0.01 . 1 . . . . . . . . 5364 1 322 . 1 1 52 52 ALA HB1 H 1 1.60 0.01 . 1 . . . . . . . . 5364 1 323 . 1 1 52 52 ALA HB2 H 1 1.60 0.01 . 1 . . . . . . . . 5364 1 324 . 1 1 52 52 ALA HB3 H 1 1.60 0.01 . 1 . . . . . . . . 5364 1 325 . 1 1 53 53 PHE H H 1 8.77 0.01 . 1 . . . . . . . . 5364 1 326 . 1 1 53 53 PHE HA H 1 4.29 0.01 . 1 . . . . . . . . 5364 1 327 . 1 1 53 53 PHE HB2 H 1 3.71 0.01 . 2 . . . . . . . . 5364 1 328 . 1 1 53 53 PHE HB3 H 1 3.37 0.01 . 2 . . . . . . . . 5364 1 329 . 1 1 53 53 PHE HD1 H 1 7.31 0.01 . 1 . . . . . . . . 5364 1 330 . 1 1 53 53 PHE HD2 H 1 7.31 0.01 . 1 . . . . . . . . 5364 1 331 . 1 1 53 53 PHE HE1 H 1 7.49 0.01 . 1 . . . . . . . . 5364 1 332 . 1 1 53 53 PHE HE2 H 1 7.49 0.01 . 1 . . . . . . . . 5364 1 333 . 1 1 53 53 PHE HZ H 1 7.61 0.01 . 1 . . . . . . . . 5364 1 334 . 1 1 54 54 THR H H 1 8.29 0.01 . 1 . . . . . . . . 5364 1 335 . 1 1 54 54 THR HA H 1 3.42 0.01 . 1 . . . . . . . . 5364 1 336 . 1 1 54 54 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 5364 1 337 . 1 1 54 54 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5364 1 338 . 1 1 54 54 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5364 1 339 . 1 1 54 54 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5364 1 340 . 1 1 55 55 HIS H H 1 7.95 0.01 . 1 . . . . . . . . 5364 1 341 . 1 1 55 55 HIS HA H 1 4.44 0.01 . 1 . . . . . . . . 5364 1 342 . 1 1 55 55 HIS HB2 H 1 3.34 0.01 . 2 . . . . . . . . 5364 1 343 . 1 1 55 55 HIS HB3 H 1 3.30 0.01 . 2 . . . . . . . . 5364 1 344 . 1 1 55 55 HIS HD2 H 1 7.22 0.01 . 1 . . . . . . . . 5364 1 345 . 1 1 55 55 HIS HE1 H 1 7.96 0.01 . 1 . . . . . . . . 5364 1 346 . 1 1 56 56 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 5364 1 347 . 1 1 56 56 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . 5364 1 348 . 1 1 56 56 LEU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 5364 1 349 . 1 1 56 56 LEU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5364 1 350 . 1 1 56 56 LEU HG H 1 1.32 0.01 . 1 . . . . . . . . 5364 1 351 . 1 1 56 56 LEU HD11 H 1 0.95 0.01 . 2 . . . . . . . . 5364 1 352 . 1 1 56 56 LEU HD12 H 1 0.95 0.01 . 2 . . . . . . . . 5364 1 353 . 1 1 56 56 LEU HD13 H 1 0.95 0.01 . 2 . . . . . . . . 5364 1 354 . 1 1 56 56 LEU HD21 H 1 0.98 0.01 . 2 . . . . . . . . 5364 1 355 . 1 1 56 56 LEU HD22 H 1 0.98 0.01 . 2 . . . . . . . . 5364 1 356 . 1 1 56 56 LEU HD23 H 1 0.98 0.01 . 2 . . . . . . . . 5364 1 357 . 1 1 57 57 LYS H H 1 8.77 0.01 . 1 . . . . . . . . 5364 1 358 . 1 1 57 57 LYS HA H 1 3.99 0.01 . 1 . . . . . . . . 5364 1 359 . 1 1 57 57 LYS HB2 H 1 1.53 0.01 . 2 . . . . . . . . 5364 1 360 . 1 1 57 57 LYS HB3 H 1 1.51 0.01 . 2 . . . . . . . . 5364 1 361 . 1 1 57 57 LYS HG2 H 1 1.30 0.01 . 2 . . . . . . . . 5364 1 362 . 1 1 57 57 LYS HG3 H 1 1.20 0.01 . 2 . . . . . . . . 5364 1 363 . 1 1 57 57 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 5364 1 364 . 1 1 57 57 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 5364 1 365 . 1 1 57 57 LYS HE2 H 1 2.87 0.01 . 2 . . . . . . . . 5364 1 366 . 1 1 57 57 LYS HE3 H 1 2.82 0.01 . 2 . . . . . . . . 5364 1 367 . 1 1 58 58 ALA H H 1 7.71 0.01 . 1 . . . . . . . . 5364 1 368 . 1 1 58 58 ALA HA H 1 4.11 0.01 . 1 . . . . . . . . 5364 1 369 . 1 1 58 58 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 5364 1 370 . 1 1 58 58 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5364 1 371 . 1 1 58 58 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 5364 1 372 . 1 1 59 59 LYS H H 1 7.38 0.01 . 1 . . . . . . . . 5364 1 373 . 1 1 59 59 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 5364 1 374 . 1 1 59 59 LYS HB2 H 1 1.72 0.01 . 1 . . . . . . . . 5364 1 375 . 1 1 59 59 LYS HB3 H 1 1.72 0.01 . 1 . . . . . . . . 5364 1 376 . 1 1 59 59 LYS HG2 H 1 2.00 0.01 . 2 . . . . . . . . 5364 1 377 . 1 1 59 59 LYS HG3 H 1 1.47 0.01 . 2 . . . . . . . . 5364 1 378 . 1 1 59 59 LYS HD2 H 1 1.58 0.01 . 2 . . . . . . . . 5364 1 379 . 1 1 59 59 LYS HD3 H 1 1.54 0.01 . 2 . . . . . . . . 5364 1 380 . 1 1 59 59 LYS HE2 H 1 2.92 0.01 . 1 . . . . . . . . 5364 1 381 . 1 1 59 59 LYS HE3 H 1 2.92 0.01 . 1 . . . . . . . . 5364 1 382 . 1 1 60 60 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 5364 1 383 . 1 1 60 60 GLY HA2 H 1 4.05 0.01 . 2 . . . . . . . . 5364 1 384 . 1 1 60 60 GLY HA3 H 1 4.04 0.01 . 2 . . . . . . . . 5364 1 385 . 1 1 61 61 GLU H H 1 7.93 0.01 . 1 . . . . . . . . 5364 1 386 . 1 1 61 61 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5364 1 387 . 1 1 61 61 GLU HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5364 1 388 . 1 1 61 61 GLU HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5364 1 389 . 1 1 61 61 GLU HG2 H 1 2.40 0.01 . 2 . . . . . . . . 5364 1 390 . 1 1 61 61 GLU HG3 H 1 2.17 0.01 . 2 . . . . . . . . 5364 1 391 . 1 1 62 62 ILE H H 1 7.77 0.01 . 1 . . . . . . . . 5364 1 392 . 1 1 62 62 ILE HA H 1 4.49 0.01 . 1 . . . . . . . . 5364 1 393 . 1 1 62 62 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 5364 1 394 . 1 1 62 62 ILE HG12 H 1 1.03 0.01 . 2 . . . . . . . . 5364 1 395 . 1 1 62 62 ILE HG13 H 1 1.32 0.01 . 2 . . . . . . . . 5364 1 396 . 1 1 62 62 ILE HG21 H 1 0.54 0.01 . 1 . . . . . . . . 5364 1 397 . 1 1 62 62 ILE HG22 H 1 0.54 0.01 . 1 . . . . . . . . 5364 1 398 . 1 1 62 62 ILE HG23 H 1 0.54 0.01 . 1 . . . . . . . . 5364 1 399 . 1 1 62 62 ILE HD11 H 1 0.99 0.01 . 1 . . . . . . . . 5364 1 400 . 1 1 62 62 ILE HD12 H 1 0.99 0.01 . 1 . . . . . . . . 5364 1 401 . 1 1 62 62 ILE HD13 H 1 0.99 0.01 . 1 . . . . . . . . 5364 1 402 . 1 1 63 63 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 5364 1 403 . 1 1 63 63 PRO HB2 H 1 2.27 0.01 . 2 . . . . . . . . 5364 1 404 . 1 1 63 63 PRO HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5364 1 405 . 1 1 63 63 PRO HG2 H 1 2.01 0.01 . 2 . . . . . . . . 5364 1 406 . 1 1 63 63 PRO HG3 H 1 1.45 0.01 . 2 . . . . . . . . 5364 1 407 . 1 1 63 63 PRO HD2 H 1 3.71 0.01 . 2 . . . . . . . . 5364 1 408 . 1 1 63 63 PRO HD3 H 1 2.94 0.01 . 2 . . . . . . . . 5364 1 409 . 1 1 64 64 GLU H H 1 8.63 0.01 . 1 . . . . . . . . 5364 1 410 . 1 1 64 64 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 5364 1 411 . 1 1 64 64 GLU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 5364 1 412 . 1 1 64 64 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5364 1 413 . 1 1 64 64 GLU HG2 H 1 2.40 0.01 . 1 . . . . . . . . 5364 1 414 . 1 1 64 64 GLU HG3 H 1 2.40 0.01 . 1 . . . . . . . . 5364 1 415 . 1 1 65 65 VAL H H 1 7.70 0.01 . 1 . . . . . . . . 5364 1 416 . 1 1 65 65 VAL HA H 1 4.06 0.01 . 1 . . . . . . . . 5364 1 417 . 1 1 65 65 VAL HB H 1 2.28 0.01 . 1 . . . . . . . . 5364 1 418 . 1 1 65 65 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . 5364 1 419 . 1 1 65 65 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . 5364 1 420 . 1 1 65 65 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . 5364 1 421 . 1 1 65 65 VAL HG21 H 1 0.97 0.01 . 2 . . . . . . . . 5364 1 422 . 1 1 65 65 VAL HG22 H 1 0.97 0.01 . 2 . . . . . . . . 5364 1 423 . 1 1 65 65 VAL HG23 H 1 0.97 0.01 . 2 . . . . . . . . 5364 1 424 . 1 1 66 66 ALA H H 1 7.32 0.01 . 1 . . . . . . . . 5364 1 425 . 1 1 66 66 ALA HA H 1 3.30 0.01 . 1 . . . . . . . . 5364 1 426 . 1 1 66 66 ALA HB1 H 1 0.10 0.01 . 1 . . . . . . . . 5364 1 427 . 1 1 66 66 ALA HB2 H 1 0.10 0.01 . 1 . . . . . . . . 5364 1 428 . 1 1 66 66 ALA HB3 H 1 0.10 0.01 . 1 . . . . . . . . 5364 1 429 . 1 1 67 67 PHE H H 1 7.25 0.01 . 1 . . . . . . . . 5364 1 430 . 1 1 67 67 PHE HA H 1 4.65 0.01 . 1 . . . . . . . . 5364 1 431 . 1 1 67 67 PHE HB2 H 1 3.40 0.01 . 2 . . . . . . . . 5364 1 432 . 1 1 67 67 PHE HB3 H 1 2.82 0.01 . 2 . . . . . . . . 5364 1 433 . 1 1 67 67 PHE HD1 H 1 7.19 0.01 . 1 . . . . . . . . 5364 1 434 . 1 1 67 67 PHE HD2 H 1 7.19 0.01 . 1 . . . . . . . . 5364 1 435 . 1 1 67 67 PHE HE1 H 1 7.29 0.01 . 1 . . . . . . . . 5364 1 436 . 1 1 67 67 PHE HE2 H 1 7.29 0.01 . 1 . . . . . . . . 5364 1 437 . 1 1 67 67 PHE HZ H 1 7.10 0.01 . 1 . . . . . . . . 5364 1 438 . 1 1 68 68 MET H H 1 7.55 0.01 . 1 . . . . . . . . 5364 1 439 . 1 1 68 68 MET HA H 1 4.48 0.01 . 1 . . . . . . . . 5364 1 440 . 1 1 68 68 MET HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5364 1 441 . 1 1 68 68 MET HB3 H 1 2.06 0.01 . 2 . . . . . . . . 5364 1 442 . 1 1 68 68 MET HG2 H 1 2.64 0.01 . 2 . . . . . . . . 5364 1 443 . 1 1 68 68 MET HG3 H 1 2.40 0.01 . 2 . . . . . . . . 5364 1 444 . 1 1 68 68 MET HE1 H 1 2.07 0.01 . 1 . . . . . . . . 5364 1 445 . 1 1 68 68 MET HE2 H 1 2.07 0.01 . 1 . . . . . . . . 5364 1 446 . 1 1 68 68 MET HE3 H 1 2.07 0.01 . 1 . . . . . . . . 5364 1 447 . 1 1 69 69 LYS H H 1 8.27 0.01 . 1 . . . . . . . . 5364 1 448 . 1 1 69 69 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . 5364 1 449 . 1 1 69 69 LYS HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5364 1 450 . 1 1 69 69 LYS HB3 H 1 1.78 0.01 . 2 . . . . . . . . 5364 1 451 . 1 1 69 69 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 5364 1 452 . 1 1 69 69 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 5364 1 453 . 1 1 69 69 LYS HD2 H 1 2.01 0.01 . 2 . . . . . . . . 5364 1 454 . 1 1 69 69 LYS HD3 H 1 1.64 0.01 . 2 . . . . . . . . 5364 1 455 . 1 1 69 69 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 5364 1 456 . 1 1 69 69 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 5364 1 stop_ save_