data_25649 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25649 _Entry.Title ; Human Brd4 ET domain in complex with MLV Integrase C-term ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-03 _Entry.Accession_date 2015-06-03 _Entry.Last_release_date 2016-02-29 _Entry.Original_release_date 2016-02-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Brandon Crowe . L. . . 25649 2 Mark Foster . P. . . 25649 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' . 25649 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Brd4 ET' . 25649 'MLV Integrase' . 25649 'Protein/Protein complex' . 25649 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25649 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 25649 '15N chemical shifts' 86 25649 '1H chemical shifts' 551 25649 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-02-29 2015-06-03 update BMRB 'update entry citation' 25649 1 . . 2016-02-29 2015-06-03 original author 'original release' 25649 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N3K 'BMRB Entry Tracking System' 25649 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25649 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26858406 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of the Brd4 ET domain bound to a C-terminal motif from gamma-retroviral integrases reveals a conserved mechanism of interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _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 2086 _Citation.Page_last 2091 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Brandon Crowe . L. . . 25649 1 2 Ross Larue . C. . . 25649 1 3 Chunhua Yuan . . . . 25649 1 4 Mamuka Kvaratskhelia . . . . 25649 1 5 Mark Foster . P. . . 25649 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25649 _Assembly.ID 1 _Assembly.Name 'Human Brd4 ET domain in complex with MLV Integrase C-term' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $Brd4_ET A . yes native no no . . . 25649 1 2 entity_2 2 $MLV_IN_EBM B . yes native no no . . . 25649 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Brd4_ET _Entity.Sf_category entity _Entity.Sf_framecode Brd4_ET _Entity.Entry_ID 25649 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Brd4_ET _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 ; GAIAMESEEEDKCKPMSYEE KRQLSLDINKLPGEKLGRVV HIIQSREPSLKNSNPDEIEI DFETLKPSTLRELERYVTSC LRKKTR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -4, G -3, A -2, I -1, A 0, M 600, E ; _Entity.Polymer_author_seq_details ; Residues 1-5 (GAIAM) are non-native cloning artifacts. Residues 6-84 are human Brd4 ET domain (600-678) Residues 85-86 (TR) are non native cloning artifacts. ; _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 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Brd4 ET domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9291.632 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes NCBI NP_490597.1 . BRD4 . . . . . . . . . . . . . . 25649 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 -4 GLY . 25649 1 2 -3 ALA . 25649 1 3 -2 ILE . 25649 1 4 -1 ALA . 25649 1 5 0 MET . 25649 1 6 600 GLU . 25649 1 7 601 SER . 25649 1 8 602 GLU . 25649 1 9 603 GLU . 25649 1 10 604 GLU . 25649 1 11 605 ASP . 25649 1 12 606 LYS . 25649 1 13 607 CYS . 25649 1 14 608 LYS . 25649 1 15 609 PRO . 25649 1 16 610 MET . 25649 1 17 611 SER . 25649 1 18 612 TYR . 25649 1 19 613 GLU . 25649 1 20 614 GLU . 25649 1 21 615 LYS . 25649 1 22 616 ARG . 25649 1 23 617 GLN . 25649 1 24 618 LEU . 25649 1 25 619 SER . 25649 1 26 620 LEU . 25649 1 27 621 ASP . 25649 1 28 622 ILE . 25649 1 29 623 ASN . 25649 1 30 624 LYS . 25649 1 31 625 LEU . 25649 1 32 626 PRO . 25649 1 33 627 GLY . 25649 1 34 628 GLU . 25649 1 35 629 LYS . 25649 1 36 630 LEU . 25649 1 37 631 GLY . 25649 1 38 632 ARG . 25649 1 39 633 VAL . 25649 1 40 634 VAL . 25649 1 41 635 HIS . 25649 1 42 636 ILE . 25649 1 43 637 ILE . 25649 1 44 638 GLN . 25649 1 45 639 SER . 25649 1 46 640 ARG . 25649 1 47 641 GLU . 25649 1 48 642 PRO . 25649 1 49 643 SER . 25649 1 50 644 LEU . 25649 1 51 645 LYS . 25649 1 52 646 ASN . 25649 1 53 647 SER . 25649 1 54 648 ASN . 25649 1 55 649 PRO . 25649 1 56 650 ASP . 25649 1 57 651 GLU . 25649 1 58 652 ILE . 25649 1 59 653 GLU . 25649 1 60 654 ILE . 25649 1 61 655 ASP . 25649 1 62 656 PHE . 25649 1 63 657 GLU . 25649 1 64 658 THR . 25649 1 65 659 LEU . 25649 1 66 660 LYS . 25649 1 67 661 PRO . 25649 1 68 662 SER . 25649 1 69 663 THR . 25649 1 70 664 LEU . 25649 1 71 665 ARG . 25649 1 72 666 GLU . 25649 1 73 667 LEU . 25649 1 74 668 GLU . 25649 1 75 669 ARG . 25649 1 76 670 TYR . 25649 1 77 671 VAL . 25649 1 78 672 THR . 25649 1 79 673 SER . 25649 1 80 674 CYS . 25649 1 81 675 LEU . 25649 1 82 676 ARG . 25649 1 83 677 LYS . 25649 1 84 678 LYS . 25649 1 85 679 THR . 25649 1 86 680 ARG . 25649 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 25649 1 . ALA 2 2 25649 1 . ILE 3 3 25649 1 . ALA 4 4 25649 1 . MET 5 5 25649 1 . GLU 6 6 25649 1 . SER 7 7 25649 1 . GLU 8 8 25649 1 . GLU 9 9 25649 1 . GLU 10 10 25649 1 . ASP 11 11 25649 1 . LYS 12 12 25649 1 . CYS 13 13 25649 1 . LYS 14 14 25649 1 . PRO 15 15 25649 1 . MET 16 16 25649 1 . SER 17 17 25649 1 . TYR 18 18 25649 1 . GLU 19 19 25649 1 . GLU 20 20 25649 1 . LYS 21 21 25649 1 . ARG 22 22 25649 1 . GLN 23 23 25649 1 . LEU 24 24 25649 1 . SER 25 25 25649 1 . LEU 26 26 25649 1 . ASP 27 27 25649 1 . ILE 28 28 25649 1 . ASN 29 29 25649 1 . LYS 30 30 25649 1 . LEU 31 31 25649 1 . PRO 32 32 25649 1 . GLY 33 33 25649 1 . GLU 34 34 25649 1 . LYS 35 35 25649 1 . LEU 36 36 25649 1 . GLY 37 37 25649 1 . ARG 38 38 25649 1 . VAL 39 39 25649 1 . VAL 40 40 25649 1 . HIS 41 41 25649 1 . ILE 42 42 25649 1 . ILE 43 43 25649 1 . GLN 44 44 25649 1 . SER 45 45 25649 1 . ARG 46 46 25649 1 . GLU 47 47 25649 1 . PRO 48 48 25649 1 . SER 49 49 25649 1 . LEU 50 50 25649 1 . LYS 51 51 25649 1 . ASN 52 52 25649 1 . SER 53 53 25649 1 . ASN 54 54 25649 1 . PRO 55 55 25649 1 . ASP 56 56 25649 1 . GLU 57 57 25649 1 . ILE 58 58 25649 1 . GLU 59 59 25649 1 . ILE 60 60 25649 1 . ASP 61 61 25649 1 . PHE 62 62 25649 1 . GLU 63 63 25649 1 . THR 64 64 25649 1 . LEU 65 65 25649 1 . LYS 66 66 25649 1 . PRO 67 67 25649 1 . SER 68 68 25649 1 . THR 69 69 25649 1 . LEU 70 70 25649 1 . ARG 71 71 25649 1 . GLU 72 72 25649 1 . LEU 73 73 25649 1 . GLU 74 74 25649 1 . ARG 75 75 25649 1 . TYR 76 76 25649 1 . VAL 77 77 25649 1 . THR 78 78 25649 1 . SER 79 79 25649 1 . CYS 80 80 25649 1 . LEU 81 81 25649 1 . ARG 82 82 25649 1 . LYS 83 83 25649 1 . LYS 84 84 25649 1 . THR 85 85 25649 1 . ARG 86 86 25649 1 stop_ save_ save_MLV_IN_EBM _Entity.Sf_category entity _Entity.Sf_framecode MLV_IN_EBM _Entity.Entry_ID 25649 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MLV_IN_EBM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TWRVQRSQNPLKIRLTR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '389, T' _Entity.Polymer_author_seq_details 'residues 1-17 are MLV Integrase C-term EBM(389-405)' _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'MLV integrase C-term EBM' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2157.567 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes GB AAC58562.1 . integrase . . . . . . . . . . . . . . 25649 2 2 yes UNP O10624 . integrase . . . . . . . . . . . . . . 25649 2 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 1 389 THR . 25649 2 2 390 TRP . 25649 2 3 391 ARG . 25649 2 4 392 VAL . 25649 2 5 393 GLN . 25649 2 6 394 ARG . 25649 2 7 395 SER . 25649 2 8 396 GLN . 25649 2 9 397 ASN . 25649 2 10 398 PRO . 25649 2 11 399 LEU . 25649 2 12 400 LYS . 25649 2 13 401 ILE . 25649 2 14 402 ARG . 25649 2 15 403 LEU . 25649 2 16 404 THR . 25649 2 17 405 ARG . 25649 2 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 . THR 1 1 25649 2 . TRP 2 2 25649 2 . ARG 3 3 25649 2 . VAL 4 4 25649 2 . GLN 5 5 25649 2 . ARG 6 6 25649 2 . SER 7 7 25649 2 . GLN 8 8 25649 2 . ASN 9 9 25649 2 . PRO 10 10 25649 2 . LEU 11 11 25649 2 . LYS 12 12 25649 2 . ILE 13 13 25649 2 . ARG 14 14 25649 2 . LEU 15 15 25649 2 . THR 16 16 25649 2 . ARG 17 17 25649 2 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 25649 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Brd4_ET . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . BRD4 ; Bromodomain-containing Protein 4 (BRD4) Extraterminal (ET) Domain Residues 600-678 native sequence ; 25649 1 2 2 $MLV_IN_EBM . 11786 organism . 'Murine Leukemia Virus' . . Viruses . Gammaretrovirus . . . . . . . . . . . . . Integrase ; Murine Leukemia Virus (MLV) Integrase (IN) residues 389-405 of native sequence ; 25649 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 25649 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Brd4_ET . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pEX-N-His . . 'Cloned in to SgfI and MluI site to make construct with N-term 6x his-tag and TEV protease site.' 25649 1 2 2 $MLV_IN_EBM . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25649 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_U13C-15NBrd4_MLV_in_H2O _Sample.Sf_category sample _Sample.Sf_framecode U13C-15NBrd4_MLV_in_H2O _Sample.Entry_ID 25649 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Brd4 ET with MLV IN water ; _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 'Brd4 ET' '[U-99% 13C; U-99% 15N]' . . 1 $Brd4_ET . . . 0.4 0.8 mM . . . . 25649 1 2 'MLV IN EBM' 'natural abundance' . . 2 $MLV_IN_EBM . . . 0.4 0.8 mM . . . . 25649 1 3 TRIS [U-2H] . . . . . . 20 . . mM . . . . 25649 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25649 1 5 'sodium azide' 'natural abundance' . . . . . . 0.002 . . '% v/v' . . . . 25649 1 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25649 1 7 DTT [U-2H] . . . . . . 2 . . mM . . . . 25649 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25649 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25649 1 stop_ save_ save_U13C-15NBrd4_MLV_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode U13C-15NBrd4_MLV_in_D2O _Sample.Entry_ID 25649 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Brd4 ET with MLV IN D2O ; _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 'Brd4 ET' '[U-99% 13C; U-99% 15N]' . . 1 $Brd4_ET . . . 0.4 0.8 mM . . . . 25649 2 2 'MLV IN EBM' 'natural abundance' . . 2 $MLV_IN_EBM . . . 0.4 0.8 mM . . . . 25649 2 3 TRIS [U-2H] . . . . . . 20 . . mM . . . . 25649 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25649 2 5 'sodium azide' 'natural abundance' . . . . . . 0.002 . . '% v/v' . . . . 25649 2 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25649 2 7 DTT [U-2H] . . . . . . 2 . . mM . . . . 25649 2 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25649 2 stop_ save_ save_U15NBrd4_MLV_in_H2O _Sample.Sf_category sample _Sample.Sf_framecode U15NBrd4_MLV_in_H2O _Sample.Entry_ID 25649 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; U15N Brd4 ET with MLV IN water ; _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 'Brd4 ET' '[U-99% 15N]' . . 1 $Brd4_ET . . . 0.4 0.8 mM . . . . 25649 3 2 'MLV IN EBM' 'natural abundance' . . 2 $MLV_IN_EBM . . . 0.4 0.8 mM . . . . 25649 3 3 TRIS [U-2H] . . . . . . 20 . . mM . . . . 25649 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25649 3 5 'sodium azide' 'natural abundance' . . . . . . 0.002 . . '% v/v' . . . . 25649 3 6 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25649 3 7 DTT [U-2H] . . . . . . 2 . . mM . . . . 25649 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25649 3 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25649 3 stop_ save_ save_U15NBrd4_free _Sample.Sf_category sample _Sample.Sf_framecode U15NBrd4_free _Sample.Entry_ID 25649 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Brd4 ET free in water' _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 'Brd4 ET' '[U-99% 15N]' . . 1 $Brd4_ET . . . 0.4 0.8 mM . . . . 25649 4 2 TRIS [U-2H] . . . . . . 20 . . mM . . . . 25649 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25649 4 4 'sodium azide' 'natural abundance' . . . . . . 0.002 . . '% v/v' . . . . 25649 4 5 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25649 4 6 DTT [U-2H] . . . . . . 2 . . mM . . . . 25649 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25649 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25649 4 stop_ save_ save_MLV_IN_EBM_in_H2O _Sample.Sf_category sample _Sample.Sf_framecode MLV_IN_EBM_in_H2O _Sample.Entry_ID 25649 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'MLV IN EBM in water' _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 'MLV IN EBM' 'natural abundance' . . 2 $MLV_IN_EBM . . 1 . . mM . . . . 25649 5 2 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 25649 5 3 'sodium azide' 'natural abundance' . . . . . . 0.002 . . '% v/v' . . . . 25649 5 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25649 5 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25649 5 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 25649 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'normal conditions used' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 25649 1 pH 7.0 . pH 25649 1 pressure 1 . atm 25649 1 temperature 298 . K 25649 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 25649 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25649 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 25649 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25649 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25649 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 25649 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25649 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25649 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 25649 3 stop_ save_ save_NMRViewJ _Software.Sf_category software _Software.Sf_framecode NMRViewJ _Software.Entry_ID 25649 _Software.ID 4 _Software.Type . _Software.Name NMRViewJ _Software.Version 8.1.17 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25649 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25649 4 . 'data analysis' 25649 4 . 'peak picking' 25649 4 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25649 _Software.ID 5 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 25649 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25649 5 stop_ save_ save_TALOS-N _Software.Sf_category software _Software.Sf_framecode TALOS-N _Software.Entry_ID 25649 _Software.ID 6 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25649 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 25649 6 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25649 _Software.ID 7 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25649 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 25649 7 . 'structure solution' 25649 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25649 _Software.ID 8 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 25649 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 25649 8 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 25649 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD Ultrashield' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25649 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD Ascend' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25649 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25649 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 III HD Ultrashield' . 600 . . . 25649 1 2 spectrometer_2 Bruker 'Avance III HD Ascend' . 700 . . . 25649 1 3 spectrometer_3 Bruker 'Avance III HD' . 800 . . . 25649 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 25649 _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 . . . . . . . . . . 4 $U15NBrd4_free isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $U15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $U13C-15NBrd4_MLV_in_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 6 '1D 13C,15N-filtered watergate 1H' no . . . . . . . . . . 5 $MLV_IN_EBM_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 7 '1D 13C,15N-filtered watergate 1H' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 8 '3D HNCO' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 9 '3D HNCA' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 10 '3D HNCACB' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 14 '3D CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 15 '2D 13C,15N-filtered 1H-1H COSY' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 16 '2D 13C,15N-filtered 1H-1H TOCSY' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 17 '2D 13C,15N-filtered 1H-1H NOESY' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 18 '2D 13C,15N-filtered 1H-1H COSY' no . . . . . . . . . . 2 $U13C-15NBrd4_MLV_in_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25649 1 19 '2D 13C,15N-filtered 1H-1H TOCSY' no . . . . . . . . . . 2 $U13C-15NBrd4_MLV_in_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25649 1 20 '2D 13C,15N-filtered 1H-1H NOESY' no . . . . . . . . . . 2 $U13C-15NBrd4_MLV_in_D2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25649 1 21 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 22 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 23 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $U13C-15NBrd4_MLV_in_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 24 '3D 13C,15N-filtered(f1) 1H-15N(f2) NOESY' no . . . . . . . . . . 1 $U13C-15NBrd4_MLV_in_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 1 25 '3D 13C,15N-filtered(f1) 1H-13C(f2) NOESY aliphatic' no . . . . . . . . . . 2 $U13C-15NBrd4_MLV_in_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25649 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 25649 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25649 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25649 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25649 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 25649 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 3 '2D 1H-15N HSQC' . . . 25649 1 4 '2D 1H-13C HSQC aliphatic' . . . 25649 1 5 '2D 1H-13C HSQC aliphatic' . . . 25649 1 8 '3D HNCO' . . . 25649 1 9 '3D HNCA' . . . 25649 1 10 '3D HNCACB' . . . 25649 1 11 '3D CBCA(CO)NH' . . . 25649 1 12 '3D HBHA(CO)NH' . . . 25649 1 13 '3D HCCH-TOCSY' . . . 25649 1 14 '3D CC(CO)NH-TOCSY' . . . 25649 1 15 '2D 13C,15N-filtered 1H-1H COSY' . . . 25649 1 16 '2D 13C,15N-filtered 1H-1H TOCSY' . . . 25649 1 17 '2D 13C,15N-filtered 1H-1H NOESY' . . . 25649 1 18 '2D 13C,15N-filtered 1H-1H COSY' . . . 25649 1 19 '2D 13C,15N-filtered 1H-1H TOCSY' . . . 25649 1 20 '2D 13C,15N-filtered 1H-1H NOESY' . . . 25649 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $NMRViewJ . . 25649 1 5 $PINE . . 25649 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.873 0.05 . 2 . . . . . -4 GLY HA2 . 25649 1 2 . 1 . 1 1 1 GLY C C 13 175.978 0.5 . 1 . . . . . -4 GLY C . 25649 1 3 . 1 . 1 1 1 GLY CA C 13 45.158 0.5 . 1 . . . . . -4 GLY CA . 25649 1 4 . 1 . 1 1 1 GLY N N 15 109.419 0.5 . 1 . . . . . -4 GLY N . 25649 1 5 . 1 . 1 2 2 ALA H H 1 8.085 0.05 . 1 . . . . . -3 ALA H . 25649 1 6 . 1 . 1 2 2 ALA HA H 1 4.338 0.05 . 1 . . . . . -3 ALA HA . 25649 1 7 . 1 . 1 2 2 ALA HB1 H 1 1.357 0.05 . 1 . . . . . -3 ALA HB1 . 25649 1 8 . 1 . 1 2 2 ALA HB2 H 1 1.357 0.05 . 1 . . . . . -3 ALA HB1 . 25649 1 9 . 1 . 1 2 2 ALA HB3 H 1 1.357 0.05 . 1 . . . . . -3 ALA HB1 . 25649 1 10 . 1 . 1 2 2 ALA C C 13 175.398 0.5 . 1 . . . . . -3 ALA C . 25649 1 11 . 1 . 1 2 2 ALA CA C 13 52.43 0.5 . 1 . . . . . -3 ALA CA . 25649 1 12 . 1 . 1 2 2 ALA CB C 13 19.34 0.5 . 1 . . . . . -3 ALA CB . 25649 1 13 . 1 . 1 2 2 ALA N N 15 123.613 0.5 . 1 . . . . . -3 ALA N . 25649 1 14 . 1 . 1 3 3 ILE H H 1 8.061 0.05 . 1 . . . . . -2 ILE H . 25649 1 15 . 1 . 1 3 3 ILE HA H 1 4.121 0.05 . 1 . . . . . -2 ILE HA . 25649 1 16 . 1 . 1 3 3 ILE HB H 1 1.829 0.05 . 1 . . . . . -2 ILE HB . 25649 1 17 . 1 . 1 3 3 ILE HG12 H 1 1.46 0.05 . 2 . . . . . -2 ILE HG12 . 25649 1 18 . 1 . 1 3 3 ILE HG21 H 1 0.911 0.05 . 1 . . . . . -2 ILE HG21 . 25649 1 19 . 1 . 1 3 3 ILE HG22 H 1 0.911 0.05 . 1 . . . . . -2 ILE HG21 . 25649 1 20 . 1 . 1 3 3 ILE HG23 H 1 0.911 0.05 . 1 . . . . . -2 ILE HG21 . 25649 1 21 . 1 . 1 3 3 ILE HD11 H 1 0.857 0.05 . 1 . . . . . -2 ILE HD11 . 25649 1 22 . 1 . 1 3 3 ILE HD12 H 1 0.857 0.05 . 1 . . . . . -2 ILE HD11 . 25649 1 23 . 1 . 1 3 3 ILE HD13 H 1 0.857 0.05 . 1 . . . . . -2 ILE HD11 . 25649 1 24 . 1 . 1 3 3 ILE C C 13 176.685 0.5 . 1 . . . . . -2 ILE C . 25649 1 25 . 1 . 1 3 3 ILE CA C 13 60.956 0.5 . 1 . . . . . -2 ILE CA . 25649 1 26 . 1 . 1 3 3 ILE CB C 13 38.767 0.5 . 1 . . . . . -2 ILE CB . 25649 1 27 . 1 . 1 3 3 ILE CG1 C 13 27.175 0.5 . 1 . . . . . -2 ILE CG1 . 25649 1 28 . 1 . 1 3 3 ILE CG2 C 13 17.413 0.5 . 1 . . . . . -2 ILE CG2 . 25649 1 29 . 1 . 1 3 3 ILE CD1 C 13 12.906 0.5 . 1 . . . . . -2 ILE CD1 . 25649 1 30 . 1 . 1 3 3 ILE N N 15 119.933 0.5 . 1 . . . . . -2 ILE N . 25649 1 31 . 1 . 1 4 4 ALA H H 1 8.32 0.05 . 1 . . . . . -1 ALA H . 25649 1 32 . 1 . 1 4 4 ALA HA H 1 4.315 0.05 . 1 . . . . . -1 ALA HA . 25649 1 33 . 1 . 1 4 4 ALA HB1 H 1 1.355 0.05 . 1 . . . . . -1 ALA HB1 . 25649 1 34 . 1 . 1 4 4 ALA HB2 H 1 1.355 0.05 . 1 . . . . . -1 ALA HB1 . 25649 1 35 . 1 . 1 4 4 ALA HB3 H 1 1.355 0.05 . 1 . . . . . -1 ALA HB1 . 25649 1 36 . 1 . 1 4 4 ALA C C 13 173.773 0.5 . 1 . . . . . -1 ALA C . 25649 1 37 . 1 . 1 4 4 ALA CA C 13 52.345 0.5 . 1 . . . . . -1 ALA CA . 25649 1 38 . 1 . 1 4 4 ALA CB C 13 19.204 0.5 . 1 . . . . . -1 ALA CB . 25649 1 39 . 1 . 1 4 4 ALA N N 15 128.156 0.5 . 1 . . . . . -1 ALA N . 25649 1 40 . 1 . 1 5 5 MET H H 1 8.331 0.05 . 1 . . . . . 0 MET H . 25649 1 41 . 1 . 1 5 5 MET HA H 1 4.447 0.05 . 1 . . . . . 0 MET HA . 25649 1 42 . 1 . 1 5 5 MET HB2 H 1 2.061 0.05 . 2 . . . . . 0 MET HB2 . 25649 1 43 . 1 . 1 5 5 MET HG2 H 1 2.602 0.05 . 2 . . . . . 0 MET HG2 . 25649 1 44 . 1 . 1 5 5 MET C C 13 175.051 0.5 . 1 . . . . . 0 MET C . 25649 1 45 . 1 . 1 5 5 MET CA C 13 55.471 0.5 . 1 . . . . . 0 MET CA . 25649 1 46 . 1 . 1 5 5 MET CB C 13 33.12 0.5 . 1 . . . . . 0 MET CB . 25649 1 47 . 1 . 1 5 5 MET CG C 13 31.95 0.5 . 1 . . . . . 0 MET CG . 25649 1 48 . 1 . 1 5 5 MET N N 15 120.268 0.5 . 1 . . . . . 0 MET N . 25649 1 49 . 1 . 1 6 6 GLU H H 1 8.496 0.05 . 1 . . . . A 600 GLU H . 25649 1 50 . 1 . 1 6 6 GLU HA H 1 4.302 0.05 . 1 . . . . A 600 GLU HA . 25649 1 51 . 1 . 1 6 6 GLU C C 13 174.818 0.5 . 1 . . . . A 600 GLU C . 25649 1 52 . 1 . 1 6 6 GLU CA C 13 56.843 0.5 . 1 . . . . A 600 GLU CA . 25649 1 53 . 1 . 1 6 6 GLU CB C 13 30.199 0.5 . 1 . . . . A 600 GLU CB . 25649 1 54 . 1 . 1 6 6 GLU CG C 13 36.191 0.5 . 1 . . . . A 600 GLU CG . 25649 1 55 . 1 . 1 6 6 GLU N N 15 122.181 0.5 . 1 . . . . A 600 GLU N . 25649 1 56 . 1 . 1 7 7 SER H H 1 8.359 0.05 . 1 . . . . A 601 SER H . 25649 1 57 . 1 . 1 7 7 SER HA H 1 4.451 0.05 . 1 . . . . A 601 SER HA . 25649 1 58 . 1 . 1 7 7 SER HB2 H 1 3.894 0.05 . 2 . . . . A 601 SER HB2 . 25649 1 59 . 1 . 1 7 7 SER C C 13 176.73 0.5 . 1 . . . . A 601 SER C . 25649 1 60 . 1 . 1 7 7 SER CA C 13 58.451 0.5 . 1 . . . . A 601 SER CA . 25649 1 61 . 1 . 1 7 7 SER CB C 13 63.953 0.5 . 1 . . . . A 601 SER CB . 25649 1 62 . 1 . 1 7 7 SER N N 15 116.558 0.5 . 1 . . . . A 601 SER N . 25649 1 63 . 1 . 1 8 8 GLU H H 1 8.508 0.05 . 1 . . . . A 602 GLU H . 25649 1 64 . 1 . 1 8 8 GLU HA H 1 4.326 0.05 . 1 . . . . A 602 GLU HA . 25649 1 65 . 1 . 1 8 8 GLU HB2 H 1 2.089 0.05 . 2 . . . . A 602 GLU HB2 . 25649 1 66 . 1 . 1 8 8 GLU HG2 H 1 2.289 0.05 . 2 . . . . A 602 GLU HG2 . 25649 1 67 . 1 . 1 8 8 GLU C C 13 174.634 0.5 . 1 . . . . A 602 GLU C . 25649 1 68 . 1 . 1 8 8 GLU CA C 13 56.85 0.5 . 1 . . . . A 602 GLU CA . 25649 1 69 . 1 . 1 8 8 GLU CB C 13 30.233 0.5 . 1 . . . . A 602 GLU CB . 25649 1 70 . 1 . 1 8 8 GLU CG C 13 36.287 0.5 . 1 . . . . A 602 GLU CG . 25649 1 71 . 1 . 1 8 8 GLU N N 15 122.906 0.5 . 1 . . . . A 602 GLU N . 25649 1 72 . 1 . 1 9 9 GLU H H 1 8.38 0.05 . 1 . . . . A 603 GLU H . 25649 1 73 . 1 . 1 9 9 GLU HA H 1 4.239 0.05 . 1 . . . . A 603 GLU HA . 25649 1 74 . 1 . 1 9 9 GLU HB2 H 1 2.068 0.05 . 2 . . . . A 603 GLU HB2 . 25649 1 75 . 1 . 1 9 9 GLU HG2 H 1 2.271 0.05 . 2 . . . . A 603 GLU HG2 . 25649 1 76 . 1 . 1 9 9 GLU C C 13 174.165 0.5 . 1 . . . . A 603 GLU C . 25649 1 77 . 1 . 1 9 9 GLU CA C 13 56.889 0.5 . 1 . . . . A 603 GLU CA . 25649 1 78 . 1 . 1 9 9 GLU CB C 13 30.194 0.5 . 1 . . . . A 603 GLU CB . 25649 1 79 . 1 . 1 9 9 GLU CG C 13 36.239 0.5 . 1 . . . . A 603 GLU CG . 25649 1 80 . 1 . 1 9 9 GLU N N 15 121.247 0.5 . 1 . . . . A 603 GLU N . 25649 1 81 . 1 . 1 10 10 GLU H H 1 8.428 0.05 . 1 . . . . A 604 GLU H . 25649 1 82 . 1 . 1 10 10 GLU HA H 1 4.179 0.05 . 1 . . . . A 604 GLU HA . 25649 1 83 . 1 . 1 10 10 GLU HB2 H 1 2.029 0.05 . 2 . . . . A 604 GLU HB2 . 25649 1 84 . 1 . 1 10 10 GLU HG2 H 1 2.263 0.05 . 2 . . . . A 604 GLU HG2 . 25649 1 85 . 1 . 1 10 10 GLU C C 13 174.4 0.5 . 1 . . . . A 604 GLU C . 25649 1 86 . 1 . 1 10 10 GLU CA C 13 57.653 0.5 . 1 . . . . A 604 GLU CA . 25649 1 87 . 1 . 1 10 10 GLU CB C 13 30.122 0.5 . 1 . . . . A 604 GLU CB . 25649 1 88 . 1 . 1 10 10 GLU CG C 13 36.366 0.5 . 1 . . . . A 604 GLU CG . 25649 1 89 . 1 . 1 10 10 GLU N N 15 121.99 0.5 . 1 . . . . A 604 GLU N . 25649 1 90 . 1 . 1 11 11 ASP H H 1 8.423 0.05 . 1 . . . . A 605 ASP H . 25649 1 91 . 1 . 1 11 11 ASP HA H 1 4.544 0.05 . 1 . . . . A 605 ASP HA . 25649 1 92 . 1 . 1 11 11 ASP HB2 H 1 2.72 0.05 . 2 . . . . A 605 ASP HB2 . 25649 1 93 . 1 . 1 11 11 ASP C C 13 174.523 0.5 . 1 . . . . A 605 ASP C . 25649 1 94 . 1 . 1 11 11 ASP CA C 13 54.877 0.5 . 1 . . . . A 605 ASP CA . 25649 1 95 . 1 . 1 11 11 ASP CB C 13 40.81 0.5 . 1 . . . . A 605 ASP CB . 25649 1 96 . 1 . 1 11 11 ASP N N 15 120.083 0.5 . 1 . . . . A 605 ASP N . 25649 1 97 . 1 . 1 12 12 LYS H H 1 8.06 0.05 . 1 . . . . A 606 LYS H . 25649 1 98 . 1 . 1 12 12 LYS HA H 1 4.27 0.05 . 1 . . . . A 606 LYS HA . 25649 1 99 . 1 . 1 12 12 LYS C C 13 174.801 0.5 . 1 . . . . A 606 LYS C . 25649 1 100 . 1 . 1 12 12 LYS CA C 13 56.528 0.5 . 1 . . . . A 606 LYS CA . 25649 1 101 . 1 . 1 12 12 LYS CB C 13 32.579 0.5 . 1 . . . . A 606 LYS CB . 25649 1 102 . 1 . 1 12 12 LYS CG C 13 24.903 0.5 . 1 . . . . A 606 LYS CG . 25649 1 103 . 1 . 1 12 12 LYS N N 15 120.57 0.5 . 1 . . . . A 606 LYS N . 25649 1 104 . 1 . 1 13 13 CYS H H 1 8.061 0.05 . 1 . . . . A 607 CYS H . 25649 1 105 . 1 . 1 13 13 CYS HA H 1 4.369 0.05 . 1 . . . . A 607 CYS HA . 25649 1 106 . 1 . 1 13 13 CYS HB2 H 1 2.832 0.05 . 2 . . . . A 607 CYS HB2 . 25649 1 107 . 1 . 1 13 13 CYS C C 13 177.603 0.5 . 1 . . . . A 607 CYS C . 25649 1 108 . 1 . 1 13 13 CYS CA C 13 58.242 0.5 . 1 . . . . A 607 CYS CA . 25649 1 109 . 1 . 1 13 13 CYS CB C 13 27.989 0.5 . 1 . . . . A 607 CYS CB . 25649 1 110 . 1 . 1 13 13 CYS N N 15 118.438 0.5 . 1 . . . . A 607 CYS N . 25649 1 111 . 1 . 1 14 14 LYS H H 1 8.378 0.05 . 1 . . . . A 608 LYS H . 25649 1 112 . 1 . 1 14 14 LYS HA H 1 4.551 0.05 . 1 . . . . A 608 LYS HA . 25649 1 113 . 1 . 1 14 14 LYS HB2 H 1 1.769 0.05 . 2 . . . . A 608 LYS HB2 . 25649 1 114 . 1 . 1 14 14 LYS HG2 H 1 1.529 0.05 . 2 . . . . A 608 LYS HG2 . 25649 1 115 . 1 . 1 14 14 LYS HD2 H 1 1.689 0.05 . 2 . . . . A 608 LYS HD2 . 25649 1 116 . 1 . 1 14 14 LYS HE2 H 1 3.002 0.05 . 2 . . . . A 608 LYS HE2 . 25649 1 117 . 1 . 1 14 14 LYS CA C 13 54.516 0.5 . 1 . . . . A 608 LYS CA . 25649 1 118 . 1 . 1 14 14 LYS CB C 13 32.766 0.5 . 1 . . . . A 608 LYS CB . 25649 1 119 . 1 . 1 14 14 LYS CG C 13 24.498 0.5 . 1 . . . . A 608 LYS CG . 25649 1 120 . 1 . 1 14 14 LYS CD C 13 29.248 0.5 . 1 . . . . A 608 LYS CD . 25649 1 121 . 1 . 1 14 14 LYS CE C 13 42.163 0.5 . 1 . . . . A 608 LYS CE . 25649 1 122 . 1 . 1 14 14 LYS N N 15 125.69 0.5 . 1 . . . . A 608 LYS N . 25649 1 123 . 1 . 1 15 15 PRO HA H 1 4.335 0.05 . 1 . . . . A 609 PRO HA . 25649 1 124 . 1 . 1 15 15 PRO HB3 H 1 2.363 0.05 . 2 . . . . A 609 PRO HB3 . 25649 1 125 . 1 . 1 15 15 PRO HG2 H 1 2.067 0.05 . 2 . . . . A 609 PRO HG2 . 25649 1 126 . 1 . 1 15 15 PRO HD2 H 1 4.027 0.05 . 2 . . . . A 609 PRO HD2 . 25649 1 127 . 1 . 1 15 15 PRO C C 13 174.437 0.5 . 1 . . . . A 609 PRO C . 25649 1 128 . 1 . 1 15 15 PRO CA C 13 63.188 0.5 . 1 . . . . A 609 PRO CA . 25649 1 129 . 1 . 1 15 15 PRO CB C 13 32.229 0.5 . 1 . . . . A 609 PRO CB . 25649 1 130 . 1 . 1 15 15 PRO CG C 13 27.599 0.5 . 1 . . . . A 609 PRO CG . 25649 1 131 . 1 . 1 15 15 PRO CD C 13 51.121 0.5 . 1 . . . . A 609 PRO CD . 25649 1 132 . 1 . 1 16 16 MET H H 1 8.627 0.05 . 1 . . . . A 610 MET H . 25649 1 133 . 1 . 1 16 16 MET HA H 1 4.646 0.05 . 1 . . . . A 610 MET HA . 25649 1 134 . 1 . 1 16 16 MET HB2 H 1 2.12 0.05 . 2 . . . . A 610 MET HB2 . 25649 1 135 . 1 . 1 16 16 MET HG2 H 1 2.6 0.05 . 2 . . . . A 610 MET HG2 . 25649 1 136 . 1 . 1 16 16 MET HE1 H 1 1.812 0.05 . 1 . . . . A 610 MET HE1 . 25649 1 137 . 1 . 1 16 16 MET HE2 H 1 1.812 0.05 . 1 . . . . A 610 MET HE2 . 25649 1 138 . 1 . 1 16 16 MET HE3 H 1 1.812 0.05 . 1 . . . . A 610 MET HE3 . 25649 1 139 . 1 . 1 16 16 MET C C 13 174.456 0.5 . 1 . . . . A 610 MET C . 25649 1 140 . 1 . 1 16 16 MET CA C 13 56.029 0.5 . 1 . . . . A 610 MET CA . 25649 1 141 . 1 . 1 16 16 MET CB C 13 35.912 0.5 . 1 . . . . A 610 MET CB . 25649 1 142 . 1 . 1 16 16 MET CG C 13 34.445 0.5 . 1 . . . . A 610 MET CG . 25649 1 143 . 1 . 1 16 16 MET CE C 13 18.843 0.5 . 1 . . . . A 610 MET CE . 25649 1 144 . 1 . 1 16 16 MET N N 15 122.149 0.5 . 1 . . . . A 610 MET N . 25649 1 145 . 1 . 1 17 17 SER H H 1 9.16 0.05 . 1 . . . . A 611 SER H . 25649 1 146 . 1 . 1 17 17 SER HA H 1 4.541 0.05 . 1 . . . . A 611 SER HA . 25649 1 147 . 1 . 1 17 17 SER HB2 H 1 4.083 0.05 . 2 . . . . A 611 SER HB2 . 25649 1 148 . 1 . 1 17 17 SER C C 13 176.345 0.5 . 1 . . . . A 611 SER C . 25649 1 149 . 1 . 1 17 17 SER CA C 13 56.944 0.5 . 1 . . . . A 611 SER CA . 25649 1 150 . 1 . 1 17 17 SER CB C 13 65.731 0.5 . 1 . . . . A 611 SER CB . 25649 1 151 . 1 . 1 17 17 SER N N 15 119.481 0.5 . 1 . . . . A 611 SER N . 25649 1 152 . 1 . 1 18 18 TYR H H 1 9.159 0.05 . 1 . . . . A 612 TYR H . 25649 1 153 . 1 . 1 18 18 TYR HA H 1 3.982 0.05 . 1 . . . . A 612 TYR HA . 25649 1 154 . 1 . 1 18 18 TYR HB2 H 1 3.284 0.05 . 2 . . . . A 612 TYR HB2 . 25649 1 155 . 1 . 1 18 18 TYR HD2 H 1 7.141 0.05 . 3 . . . . A 612 TYR HD2 . 25649 1 156 . 1 . 1 18 18 TYR HE2 H 1 6.791 0.05 . 3 . . . . A 612 TYR HE2 . 25649 1 157 . 1 . 1 18 18 TYR C C 13 174.33 0.5 . 1 . . . . A 612 TYR C . 25649 1 158 . 1 . 1 18 18 TYR CA C 13 63.048 0.5 . 1 . . . . A 612 TYR CA . 25649 1 159 . 1 . 1 18 18 TYR CB C 13 38.093 0.5 . 1 . . . . A 612 TYR CB . 25649 1 160 . 1 . 1 18 18 TYR CE2 C 13 117.778 0.5 . 1 . . . . A 612 TYR CE2 . 25649 1 161 . 1 . 1 18 18 TYR N N 15 122.531 0.5 . 1 . . . . A 612 TYR N . 25649 1 162 . 1 . 1 19 19 GLU H H 1 8.797 0.05 . 1 . . . . A 613 GLU H . 25649 1 163 . 1 . 1 19 19 GLU HA H 1 3.838 0.05 . 1 . . . . A 613 GLU HA . 25649 1 164 . 1 . 1 19 19 GLU HB2 H 1 2.083 0.05 . 2 . . . . A 613 GLU HB2 . 25649 1 165 . 1 . 1 19 19 GLU HG2 H 1 2.524 0.05 . 2 . . . . A 613 GLU HG2 . 25649 1 166 . 1 . 1 19 19 GLU C C 13 181.728 0.5 . 1 . . . . A 613 GLU C . 25649 1 167 . 1 . 1 19 19 GLU CA C 13 59.956 0.5 . 1 . . . . A 613 GLU CA . 25649 1 168 . 1 . 1 19 19 GLU CB C 13 28.78 0.5 . 1 . . . . A 613 GLU CB . 25649 1 169 . 1 . 1 19 19 GLU CG C 13 36.785 0.5 . 1 . . . . A 613 GLU CG . 25649 1 170 . 1 . 1 19 19 GLU N N 15 117.236 0.5 . 1 . . . . A 613 GLU N . 25649 1 171 . 1 . 1 20 20 GLU H H 1 7.784 0.05 . 1 . . . . A 614 GLU H . 25649 1 172 . 1 . 1 20 20 GLU HA H 1 3.97 0.05 . 1 . . . . A 614 GLU HA . 25649 1 173 . 1 . 1 20 20 GLU C C 13 171.923 0.5 . 1 . . . . A 614 GLU C . 25649 1 174 . 1 . 1 20 20 GLU CA C 13 59.598 0.5 . 1 . . . . A 614 GLU CA . 25649 1 175 . 1 . 1 20 20 GLU CB C 13 30.452 0.5 . 1 . . . . A 614 GLU CB . 25649 1 176 . 1 . 1 20 20 GLU N N 15 120.018 0.5 . 1 . . . . A 614 GLU N . 25649 1 177 . 1 . 1 21 21 LYS H H 1 8.097 0.05 . 1 . . . . A 615 LYS H . 25649 1 178 . 1 . 1 21 21 LYS HA H 1 3.683 0.05 . 1 . . . . A 615 LYS HA . 25649 1 179 . 1 . 1 21 21 LYS HB2 H 1 1.851 0.05 . 2 . . . . A 615 LYS HB2 . 25649 1 180 . 1 . 1 21 21 LYS HG2 H 1 1.601 0.05 . 2 . . . . A 615 LYS HG2 . 25649 1 181 . 1 . 1 21 21 LYS C C 13 174.044 0.5 . 1 . . . . A 615 LYS C . 25649 1 182 . 1 . 1 21 21 LYS CA C 13 60.233 0.5 . 1 . . . . A 615 LYS CA . 25649 1 183 . 1 . 1 21 21 LYS CB C 13 33.466 0.5 . 1 . . . . A 615 LYS CB . 25649 1 184 . 1 . 1 21 21 LYS CG C 13 27.382 0.5 . 1 . . . . A 615 LYS CG . 25649 1 185 . 1 . 1 21 21 LYS N N 15 121.211 0.5 . 1 . . . . A 615 LYS N . 25649 1 186 . 1 . 1 22 22 ARG H H 1 8.44 0.05 . 1 . . . . A 616 ARG H . 25649 1 187 . 1 . 1 22 22 ARG HA H 1 3.43 0.05 . 1 . . . . A 616 ARG HA . 25649 1 188 . 1 . 1 22 22 ARG HB2 H 1 1.724 0.05 . 2 . . . . A 616 ARG HB2 . 25649 1 189 . 1 . 1 22 22 ARG HG2 H 1 1.346 0.05 . 2 . . . . A 616 ARG HG2 . 25649 1 190 . 1 . 1 22 22 ARG HD2 H 1 3.184 0.05 . 2 . . . . A 616 ARG HD2 . 25649 1 191 . 1 . 1 22 22 ARG C C 13 173.133 0.5 . 1 . . . . A 616 ARG C . 25649 1 192 . 1 . 1 22 22 ARG CA C 13 59.14 0.5 . 1 . . . . A 616 ARG CA . 25649 1 193 . 1 . 1 22 22 ARG CB C 13 29.621 0.5 . 1 . . . . A 616 ARG CB . 25649 1 194 . 1 . 1 22 22 ARG CG C 13 27.282 0.5 . 1 . . . . A 616 ARG CG . 25649 1 195 . 1 . 1 22 22 ARG CD C 13 43.145 0.5 . 1 . . . . A 616 ARG CD . 25649 1 196 . 1 . 1 22 22 ARG N N 15 119.207 0.5 . 1 . . . . A 616 ARG N . 25649 1 197 . 1 . 1 23 23 GLN H H 1 8.056 0.05 . 1 . . . . A 617 GLN H . 25649 1 198 . 1 . 1 23 23 GLN HA H 1 3.727 0.05 . 1 . . . . A 617 GLN HA . 25649 1 199 . 1 . 1 23 23 GLN HB2 H 1 2.112 0.05 . 2 . . . . A 617 GLN HB2 . 25649 1 200 . 1 . 1 23 23 GLN HG2 H 1 2.348 0.05 . 2 . . . . A 617 GLN HG2 . 25649 1 201 . 1 . 1 23 23 GLN HE21 H 1 7.887 0.05 . 2 . . . . A 617 GLN HE21 . 25649 1 202 . 1 . 1 23 23 GLN HE22 H 1 6.77 0.05 . 2 . . . . A 617 GLN HE22 . 25649 1 203 . 1 . 1 23 23 GLN C C 13 174.511 0.5 . 1 . . . . A 617 GLN C . 25649 1 204 . 1 . 1 23 23 GLN CA C 13 58.147 0.5 . 1 . . . . A 617 GLN CA . 25649 1 205 . 1 . 1 23 23 GLN CB C 13 28.205 0.5 . 1 . . . . A 617 GLN CB . 25649 1 206 . 1 . 1 23 23 GLN CG C 13 33.257 0.5 . 1 . . . . A 617 GLN CG . 25649 1 207 . 1 . 1 23 23 GLN CD C 13 181.131 0.5 . 1 . . . . A 617 GLN CD . 25649 1 208 . 1 . 1 23 23 GLN N N 15 118.793 0.5 . 1 . . . . A 617 GLN N . 25649 1 209 . 1 . 1 23 23 GLN NE2 N 15 116.672 0.5 . 1 . . . . A 617 GLN NE2 . 25649 1 210 . 1 . 1 24 24 LEU H H 1 7.656 0.05 . 1 . . . . A 618 LEU H . 25649 1 211 . 1 . 1 24 24 LEU HA H 1 4.184 0.05 . 1 . . . . A 618 LEU HA . 25649 1 212 . 1 . 1 24 24 LEU HB2 H 1 1.736 0.05 . 2 . . . . A 618 LEU HB2 . 25649 1 213 . 1 . 1 24 24 LEU HD21 H 1 0.877 0.05 . 2 . . . . A 618 LEU HD21 . 25649 1 214 . 1 . 1 24 24 LEU HD22 H 1 0.877 0.05 . 2 . . . . A 618 LEU HD22 . 25649 1 215 . 1 . 1 24 24 LEU HD23 H 1 0.877 0.05 . 2 . . . . A 618 LEU HD23 . 25649 1 216 . 1 . 1 24 24 LEU C C 13 173.723 0.5 . 1 . . . . A 618 LEU C . 25649 1 217 . 1 . 1 24 24 LEU CA C 13 57.754 0.5 . 1 . . . . A 618 LEU CA . 25649 1 218 . 1 . 1 24 24 LEU CB C 13 41.135 0.5 . 1 . . . . A 618 LEU CB . 25649 1 219 . 1 . 1 24 24 LEU CG C 13 27.378 0.5 . 1 . . . . A 618 LEU CG . 25649 1 220 . 1 . 1 24 24 LEU CD2 C 13 23.15 0.5 . 2 . . . . A 618 LEU CD2 . 25649 1 221 . 1 . 1 24 24 LEU N N 15 120.233 0.5 . 1 . . . . A 618 LEU N . 25649 1 222 . 1 . 1 25 25 SER H H 1 7.506 0.05 . 1 . . . . A 619 SER H . 25649 1 223 . 1 . 1 25 25 SER HA H 1 3.685 0.05 . 1 . . . . A 619 SER HA . 25649 1 224 . 1 . 1 25 25 SER HB2 H 1 3.781 0.05 . 2 . . . . A 619 SER HB2 . 25649 1 225 . 1 . 1 25 25 SER C C 13 173.637 0.5 . 1 . . . . A 619 SER C . 25649 1 226 . 1 . 1 25 25 SER CA C 13 60.665 0.5 . 1 . . . . A 619 SER CA . 25649 1 227 . 1 . 1 25 25 SER CB C 13 63.231 0.5 . 1 . . . . A 619 SER CB . 25649 1 228 . 1 . 1 25 25 SER N N 15 111.701 0.5 . 1 . . . . A 619 SER N . 25649 1 229 . 1 . 1 26 26 LEU H H 1 7.93 0.05 . 1 . . . . A 620 LEU H . 25649 1 230 . 1 . 1 26 26 LEU HA H 1 4.006 0.05 . 1 . . . . A 620 LEU HA . 25649 1 231 . 1 . 1 26 26 LEU HB2 H 1 1.872 0.05 . 2 . . . . A 620 LEU HB2 . 25649 1 232 . 1 . 1 26 26 LEU HG H 1 1.729 0.05 . 1 . . . . A 620 LEU HG . 25649 1 233 . 1 . 1 26 26 LEU HD11 H 1 0.825 0.05 . 2 . . . . A 620 LEU HD11 . 25649 1 234 . 1 . 1 26 26 LEU HD12 H 1 0.825 0.05 . 2 . . . . A 620 LEU HD12 . 25649 1 235 . 1 . 1 26 26 LEU HD13 H 1 0.825 0.05 . 2 . . . . A 620 LEU HD13 . 25649 1 236 . 1 . 1 26 26 LEU HD21 H 1 0.805 0.05 . 2 . . . . A 620 LEU HD21 . 25649 1 237 . 1 . 1 26 26 LEU HD22 H 1 0.805 0.05 . 2 . . . . A 620 LEU HD22 . 25649 1 238 . 1 . 1 26 26 LEU HD23 H 1 0.805 0.05 . 2 . . . . A 620 LEU HD23 . 25649 1 239 . 1 . 1 26 26 LEU C C 13 181.061 0.5 . 1 . . . . A 620 LEU C . 25649 1 240 . 1 . 1 26 26 LEU CA C 13 58.042 0.5 . 1 . . . . A 620 LEU CA . 25649 1 241 . 1 . 1 26 26 LEU CB C 13 41.536 0.5 . 1 . . . . A 620 LEU CB . 25649 1 242 . 1 . 1 26 26 LEU CG C 13 26.765 0.5 . 1 . . . . A 620 LEU CG . 25649 1 243 . 1 . 1 26 26 LEU CD1 C 13 22.974 0.5 . 2 . . . . A 620 LEU CD1 . 25649 1 244 . 1 . 1 26 26 LEU CD2 C 13 24.979 0.5 . 2 . . . . A 620 LEU CD2 . 25649 1 245 . 1 . 1 26 26 LEU N N 15 120.516 0.5 . 1 . . . . A 620 LEU N . 25649 1 246 . 1 . 1 27 27 ASP H H 1 8.714 0.05 . 1 . . . . A 621 ASP H . 25649 1 247 . 1 . 1 27 27 ASP HA H 1 4.312 0.05 . 1 . . . . A 621 ASP HA . 25649 1 248 . 1 . 1 27 27 ASP HB2 H 1 2.797 0.05 . 2 . . . . A 621 ASP HB2 . 25649 1 249 . 1 . 1 27 27 ASP C C 13 171.744 0.5 . 1 . . . . A 621 ASP C . 25649 1 250 . 1 . 1 27 27 ASP CA C 13 57.676 0.5 . 1 . . . . A 621 ASP CA . 25649 1 251 . 1 . 1 27 27 ASP CB C 13 40.301 0.5 . 1 . . . . A 621 ASP CB . 25649 1 252 . 1 . 1 27 27 ASP N N 15 122.127 0.5 . 1 . . . . A 621 ASP N . 25649 1 253 . 1 . 1 28 28 ILE H H 1 8.38 0.05 . 1 . . . . A 622 ILE H . 25649 1 254 . 1 . 1 28 28 ILE HA H 1 3.652 0.05 . 1 . . . . A 622 ILE HA . 25649 1 255 . 1 . 1 28 28 ILE HB H 1 2.055 0.05 . 1 . . . . A 622 ILE HB . 25649 1 256 . 1 . 1 28 28 ILE HG12 H 1 1.933 0.05 . 2 . . . . A 622 ILE HG12 . 25649 1 257 . 1 . 1 28 28 ILE HG21 H 1 0.867 0.05 . 1 . . . . A 622 ILE HG21 . 25649 1 258 . 1 . 1 28 28 ILE HG22 H 1 0.867 0.05 . 1 . . . . A 622 ILE HG22 . 25649 1 259 . 1 . 1 28 28 ILE HG23 H 1 0.867 0.05 . 1 . . . . A 622 ILE HG23 . 25649 1 260 . 1 . 1 28 28 ILE HD11 H 1 0.925 0.05 . 1 . . . . A 622 ILE HD11 . 25649 1 261 . 1 . 1 28 28 ILE HD12 H 1 0.925 0.05 . 1 . . . . A 622 ILE HD12 . 25649 1 262 . 1 . 1 28 28 ILE HD13 H 1 0.925 0.05 . 1 . . . . A 622 ILE HD13 . 25649 1 263 . 1 . 1 28 28 ILE C C 13 173.704 0.5 . 1 . . . . A 622 ILE C . 25649 1 264 . 1 . 1 28 28 ILE CA C 13 65.318 0.5 . 1 . . . . A 622 ILE CA . 25649 1 265 . 1 . 1 28 28 ILE CB C 13 37.012 0.5 . 1 . . . . A 622 ILE CB . 25649 1 266 . 1 . 1 28 28 ILE CG1 C 13 31.599 0.5 . 1 . . . . A 622 ILE CG1 . 25649 1 267 . 1 . 1 28 28 ILE CG2 C 13 17.144 0.5 . 1 . . . . A 622 ILE CG2 . 25649 1 268 . 1 . 1 28 28 ILE CD1 C 13 13.419 0.5 . 1 . . . . A 622 ILE CD1 . 25649 1 269 . 1 . 1 28 28 ILE N N 15 120.694 0.5 . 1 . . . . A 622 ILE N . 25649 1 270 . 1 . 1 29 29 ASN H H 1 7.507 0.05 . 1 . . . . A 623 ASN H . 25649 1 271 . 1 . 1 29 29 ASN HA H 1 4.423 0.05 . 1 . . . . A 623 ASN HA . 25649 1 272 . 1 . 1 29 29 ASN HB2 H 1 2.9 0.05 . 2 . . . . A 623 ASN HB2 . 25649 1 273 . 1 . 1 29 29 ASN HD21 H 1 6.575 0.05 . 2 . . . . A 623 ASN HD21 . 25649 1 274 . 1 . 1 29 29 ASN HD22 H 1 7.688 0.05 . 2 . . . . A 623 ASN HD22 . 25649 1 275 . 1 . 1 29 29 ASN C C 13 175.711 0.5 . 1 . . . . A 623 ASN C . 25649 1 276 . 1 . 1 29 29 ASN CA C 13 55.665 0.5 . 1 . . . . A 623 ASN CA . 25649 1 277 . 1 . 1 29 29 ASN CB C 13 39.922 0.5 . 1 . . . . A 623 ASN CB . 25649 1 278 . 1 . 1 29 29 ASN CG C 13 175.246 0.5 . 1 . . . . A 623 ASN CG . 25649 1 279 . 1 . 1 29 29 ASN N N 15 115.69 0.5 . 1 . . . . A 623 ASN N . 25649 1 280 . 1 . 1 29 29 ASN ND2 N 15 111.436 0.5 . 1 . . . . A 623 ASN ND2 . 25649 1 281 . 1 . 1 30 30 LYS H H 1 7.64 0.05 . 1 . . . . A 624 LYS H . 25649 1 282 . 1 . 1 30 30 LYS HA H 1 4.345 0.05 . 1 . . . . A 624 LYS HA . 25649 1 283 . 1 . 1 30 30 LYS HB2 H 1 2.023 0.05 . 2 . . . . A 624 LYS HB2 . 25649 1 284 . 1 . 1 30 30 LYS C C 13 174.23 0.5 . 1 . . . . A 624 LYS C . 25649 1 285 . 1 . 1 30 30 LYS CA C 13 56.34 0.5 . 1 . . . . A 624 LYS CA . 25649 1 286 . 1 . 1 30 30 LYS CB C 13 33.664 0.5 . 1 . . . . A 624 LYS CB . 25649 1 287 . 1 . 1 30 30 LYS CG C 13 25.211 0.5 . 1 . . . . A 624 LYS CG . 25649 1 288 . 1 . 1 30 30 LYS CD C 13 29.891 0.5 . 1 . . . . A 624 LYS CD . 25649 1 289 . 1 . 1 30 30 LYS N N 15 116.857 0.5 . 1 . . . . A 624 LYS N . 25649 1 290 . 1 . 1 31 31 LEU H H 1 7.364 0.05 . 1 . . . . A 625 LEU H . 25649 1 291 . 1 . 1 31 31 LEU HA H 1 4.356 0.05 . 1 . . . . A 625 LEU HA . 25649 1 292 . 1 . 1 31 31 LEU HB2 H 1 1.97 0.05 . 2 . . . . A 625 LEU HB2 . 25649 1 293 . 1 . 1 31 31 LEU HG H 1 2.037 0.05 . 1 . . . . A 625 LEU HG . 25649 1 294 . 1 . 1 31 31 LEU HD11 H 1 0.808 0.05 . 2 . . . . A 625 LEU HD11 . 25649 1 295 . 1 . 1 31 31 LEU HD12 H 1 0.808 0.05 . 2 . . . . A 625 LEU HD12 . 25649 1 296 . 1 . 1 31 31 LEU HD13 H 1 0.808 0.05 . 2 . . . . A 625 LEU HD13 . 25649 1 297 . 1 . 1 31 31 LEU HD21 H 1 0.964 0.05 . 2 . . . . A 625 LEU HD21 . 25649 1 298 . 1 . 1 31 31 LEU HD22 H 1 0.964 0.05 . 2 . . . . A 625 LEU HD22 . 25649 1 299 . 1 . 1 31 31 LEU HD23 H 1 0.964 0.05 . 2 . . . . A 625 LEU HD23 . 25649 1 300 . 1 . 1 31 31 LEU CA C 13 53.334 0.5 . 1 . . . . A 625 LEU CA . 25649 1 301 . 1 . 1 31 31 LEU CB C 13 41.274 0.5 . 1 . . . . A 625 LEU CB . 25649 1 302 . 1 . 1 31 31 LEU CD1 C 13 23.661 0.5 . 2 . . . . A 625 LEU CD1 . 25649 1 303 . 1 . 1 31 31 LEU CD2 C 13 26.507 0.5 . 2 . . . . A 625 LEU CD2 . 25649 1 304 . 1 . 1 31 31 LEU N N 15 120.598 0.5 . 1 . . . . A 625 LEU N . 25649 1 305 . 1 . 1 32 32 PRO HA H 1 4.646 0.05 . 1 . . . . A 626 PRO HA . 25649 1 306 . 1 . 1 32 32 PRO HB3 H 1 2.553 0.05 . 2 . . . . A 626 PRO HB3 . 25649 1 307 . 1 . 1 32 32 PRO HG2 H 1 2.209 0.05 . 2 . . . . A 626 PRO HG2 . 25649 1 308 . 1 . 1 32 32 PRO HD2 H 1 3.996 0.05 . 2 . . . . A 626 PRO HD2 . 25649 1 309 . 1 . 1 32 32 PRO C C 13 172.983 0.5 . 1 . . . . A 626 PRO C . 25649 1 310 . 1 . 1 32 32 PRO CA C 13 62.363 0.5 . 1 . . . . A 626 PRO CA . 25649 1 311 . 1 . 1 32 32 PRO CB C 13 32.472 0.5 . 1 . . . . A 626 PRO CB . 25649 1 312 . 1 . 1 32 32 PRO CG C 13 27.849 0.5 . 1 . . . . A 626 PRO CG . 25649 1 313 . 1 . 1 32 32 PRO CD C 13 50.478 0.5 . 1 . . . . A 626 PRO CD . 25649 1 314 . 1 . 1 33 33 GLY H H 1 8.964 0.05 . 1 . . . . A 627 GLY H . 25649 1 315 . 1 . 1 33 33 GLY HA2 H 1 4.192 0.05 . 2 . . . . A 627 GLY HA2 . 25649 1 316 . 1 . 1 33 33 GLY C C 13 174.242 0.5 . 1 . . . . A 627 GLY C . 25649 1 317 . 1 . 1 33 33 GLY CA C 13 48.589 0.5 . 1 . . . . A 627 GLY CA . 25649 1 318 . 1 . 1 33 33 GLY N N 15 110.913 0.5 . 1 . . . . A 627 GLY N . 25649 1 319 . 1 . 1 34 34 GLU H H 1 9.493 0.05 . 1 . . . . A 628 GLU H . 25649 1 320 . 1 . 1 34 34 GLU HA H 1 4.384 0.05 . 1 . . . . A 628 GLU HA . 25649 1 321 . 1 . 1 34 34 GLU HB2 H 1 2.179 0.05 . 2 . . . . A 628 GLU HB2 . 25649 1 322 . 1 . 1 34 34 GLU HG2 H 1 2.384 0.05 . 2 . . . . A 628 GLU HG2 . 25649 1 323 . 1 . 1 34 34 GLU C C 13 172.733 0.5 . 1 . . . . A 628 GLU C . 25649 1 324 . 1 . 1 34 34 GLU CA C 13 59.31 0.5 . 1 . . . . A 628 GLU CA . 25649 1 325 . 1 . 1 34 34 GLU CB C 13 28.84 0.5 . 1 . . . . A 628 GLU CB . 25649 1 326 . 1 . 1 34 34 GLU CG C 13 36.141 0.5 . 1 . . . . A 628 GLU CG . 25649 1 327 . 1 . 1 34 34 GLU N N 15 119.239 0.5 . 1 . . . . A 628 GLU N . 25649 1 328 . 1 . 1 35 35 LYS H H 1 8.017 0.05 . 1 . . . . A 629 LYS H . 25649 1 329 . 1 . 1 35 35 LYS HA H 1 4.665 0.05 . 1 . . . . A 629 LYS HA . 25649 1 330 . 1 . 1 35 35 LYS HB2 H 1 2.041 0.05 . 2 . . . . A 629 LYS HB2 . 25649 1 331 . 1 . 1 35 35 LYS HG2 H 1 1.562 0.05 . 2 . . . . A 629 LYS HG2 . 25649 1 332 . 1 . 1 35 35 LYS C C 13 172.34 0.5 . 1 . . . . A 629 LYS C . 25649 1 333 . 1 . 1 35 35 LYS CA C 13 55.558 0.5 . 1 . . . . A 629 LYS CA . 25649 1 334 . 1 . 1 35 35 LYS CB C 13 32.589 0.5 . 1 . . . . A 629 LYS CB . 25649 1 335 . 1 . 1 35 35 LYS CG C 13 25.671 0.5 . 1 . . . . A 629 LYS CG . 25649 1 336 . 1 . 1 35 35 LYS N N 15 116.42 0.5 . 1 . . . . A 629 LYS N . 25649 1 337 . 1 . 1 36 36 LEU H H 1 7.96 0.05 . 1 . . . . A 630 LEU H . 25649 1 338 . 1 . 1 36 36 LEU HA H 1 4.116 0.05 . 1 . . . . A 630 LEU HA . 25649 1 339 . 1 . 1 36 36 LEU HB2 H 1 2.173 0.05 . 2 . . . . A 630 LEU HB2 . 25649 1 340 . 1 . 1 36 36 LEU HD11 H 1 0.976 0.05 . 2 . . . . A 630 LEU HD11 . 25649 1 341 . 1 . 1 36 36 LEU HD12 H 1 0.976 0.05 . 2 . . . . A 630 LEU HD12 . 25649 1 342 . 1 . 1 36 36 LEU HD13 H 1 0.976 0.05 . 2 . . . . A 630 LEU HD13 . 25649 1 343 . 1 . 1 36 36 LEU HD21 H 1 0.855 0.05 . 2 . . . . A 630 LEU HD21 . 25649 1 344 . 1 . 1 36 36 LEU HD22 H 1 0.855 0.05 . 2 . . . . A 630 LEU HD22 . 25649 1 345 . 1 . 1 36 36 LEU HD23 H 1 0.855 0.05 . 2 . . . . A 630 LEU HD23 . 25649 1 346 . 1 . 1 36 36 LEU C C 13 172.942 0.5 . 1 . . . . A 630 LEU C . 25649 1 347 . 1 . 1 36 36 LEU CA C 13 57.244 0.5 . 1 . . . . A 630 LEU CA . 25649 1 348 . 1 . 1 36 36 LEU CB C 13 42.592 0.5 . 1 . . . . A 630 LEU CB . 25649 1 349 . 1 . 1 36 36 LEU CD1 C 13 25.7 0.5 . 2 . . . . A 630 LEU CD1 . 25649 1 350 . 1 . 1 36 36 LEU CD2 C 13 23.422 0.5 . 2 . . . . A 630 LEU CD2 . 25649 1 351 . 1 . 1 36 36 LEU N N 15 120.446 0.5 . 1 . . . . A 630 LEU N . 25649 1 352 . 1 . 1 37 37 GLY H H 1 8.126 0.05 . 1 . . . . A 631 GLY H . 25649 1 353 . 1 . 1 37 37 GLY HA2 H 1 4.089 0.05 . 2 . . . . A 631 GLY HA2 . 25649 1 354 . 1 . 1 37 37 GLY C C 13 174.674 0.5 . 1 . . . . A 631 GLY C . 25649 1 355 . 1 . 1 37 37 GLY CA C 13 47.719 0.5 . 1 . . . . A 631 GLY CA . 25649 1 356 . 1 . 1 37 37 GLY N N 15 107.478 0.5 . 1 . . . . A 631 GLY N . 25649 1 357 . 1 . 1 38 38 ARG H H 1 7.701 0.05 . 1 . . . . A 632 ARG H . 25649 1 358 . 1 . 1 38 38 ARG HA H 1 4.024 0.05 . 1 . . . . A 632 ARG HA . 25649 1 359 . 1 . 1 38 38 ARG HB2 H 1 1.668 0.05 . 2 . . . . A 632 ARG HB2 . 25649 1 360 . 1 . 1 38 38 ARG HG2 H 1 1.227 0.05 . 2 . . . . A 632 ARG HG2 . 25649 1 361 . 1 . 1 38 38 ARG HD2 H 1 3.017 0.05 . 2 . . . . A 632 ARG HD2 . 25649 1 362 . 1 . 1 38 38 ARG C C 13 173.548 0.5 . 1 . . . . A 632 ARG C . 25649 1 363 . 1 . 1 38 38 ARG CA C 13 57.325 0.5 . 1 . . . . A 632 ARG CA . 25649 1 364 . 1 . 1 38 38 ARG CB C 13 28.836 0.5 . 1 . . . . A 632 ARG CB . 25649 1 365 . 1 . 1 38 38 ARG CG C 13 26.289 0.5 . 1 . . . . A 632 ARG CG . 25649 1 366 . 1 . 1 38 38 ARG CD C 13 42.619 0.5 . 1 . . . . A 632 ARG CD . 25649 1 367 . 1 . 1 38 38 ARG N N 15 120.72 0.5 . 1 . . . . A 632 ARG N . 25649 1 368 . 1 . 1 39 39 VAL H H 1 6.956 0.05 . 1 . . . . A 633 VAL H . 25649 1 369 . 1 . 1 39 39 VAL HA H 1 3.249 0.05 . 1 . . . . A 633 VAL HA . 25649 1 370 . 1 . 1 39 39 VAL HB H 1 2.479 0.05 . 1 . . . . A 633 VAL HB . 25649 1 371 . 1 . 1 39 39 VAL HG11 H 1 0.731 0.05 . 2 . . . . A 633 VAL HG11 . 25649 1 372 . 1 . 1 39 39 VAL HG12 H 1 0.731 0.05 . 2 . . . . A 633 VAL HG12 . 25649 1 373 . 1 . 1 39 39 VAL HG13 H 1 0.731 0.05 . 2 . . . . A 633 VAL HG13 . 25649 1 374 . 1 . 1 39 39 VAL HG21 H 1 1.062 0.05 . 2 . . . . A 633 VAL HG21 . 25649 1 375 . 1 . 1 39 39 VAL HG22 H 1 1.062 0.05 . 2 . . . . A 633 VAL HG22 . 25649 1 376 . 1 . 1 39 39 VAL HG23 H 1 1.062 0.05 . 2 . . . . A 633 VAL HG23 . 25649 1 377 . 1 . 1 39 39 VAL C C 13 174.956 0.5 . 1 . . . . A 633 VAL C . 25649 1 378 . 1 . 1 39 39 VAL CA C 13 66.759 0.5 . 1 . . . . A 633 VAL CA . 25649 1 379 . 1 . 1 39 39 VAL CB C 13 30.461 0.5 . 1 . . . . A 633 VAL CB . 25649 1 380 . 1 . 1 39 39 VAL CG1 C 13 20.429 0.5 . 2 . . . . A 633 VAL CG1 . 25649 1 381 . 1 . 1 39 39 VAL CG2 C 13 22.739 0.5 . 2 . . . . A 633 VAL CG2 . 25649 1 382 . 1 . 1 39 39 VAL N N 15 118.875 0.5 . 1 . . . . A 633 VAL N . 25649 1 383 . 1 . 1 40 40 VAL H H 1 6.967 0.05 . 1 . . . . A 634 VAL H . 25649 1 384 . 1 . 1 40 40 VAL HA H 1 2.943 0.05 . 1 . . . . A 634 VAL HA . 25649 1 385 . 1 . 1 40 40 VAL HB H 1 1.736 0.05 . 1 . . . . A 634 VAL HB . 25649 1 386 . 1 . 1 40 40 VAL HG11 H 1 -0.291 0.05 . 2 . . . . A 634 VAL HG11 . 25649 1 387 . 1 . 1 40 40 VAL HG12 H 1 -0.291 0.05 . 2 . . . . A 634 VAL HG12 . 25649 1 388 . 1 . 1 40 40 VAL HG13 H 1 -0.291 0.05 . 2 . . . . A 634 VAL HG13 . 25649 1 389 . 1 . 1 40 40 VAL HG21 H 1 0.553 0.05 . 2 . . . . A 634 VAL HG21 . 25649 1 390 . 1 . 1 40 40 VAL HG22 H 1 0.553 0.05 . 2 . . . . A 634 VAL HG22 . 25649 1 391 . 1 . 1 40 40 VAL HG23 H 1 0.553 0.05 . 2 . . . . A 634 VAL HG23 . 25649 1 392 . 1 . 1 40 40 VAL C C 13 174.441 0.5 . 1 . . . . A 634 VAL C . 25649 1 393 . 1 . 1 40 40 VAL CA C 13 67.28 0.5 . 1 . . . . A 634 VAL CA . 25649 1 394 . 1 . 1 40 40 VAL CB C 13 31.065 0.5 . 1 . . . . A 634 VAL CB . 25649 1 395 . 1 . 1 40 40 VAL CG1 C 13 21.403 0.5 . 2 . . . . A 634 VAL CG1 . 25649 1 396 . 1 . 1 40 40 VAL CG2 C 13 20.425 0.5 . 2 . . . . A 634 VAL CG2 . 25649 1 397 . 1 . 1 40 40 VAL N N 15 117.257 0.5 . 1 . . . . A 634 VAL N . 25649 1 398 . 1 . 1 41 41 HIS H H 1 7.643 0.05 . 1 . . . . A 635 HIS H . 25649 1 399 . 1 . 1 41 41 HIS HA H 1 4.263 0.05 . 1 . . . . A 635 HIS HA . 25649 1 400 . 1 . 1 41 41 HIS HB2 H 1 3.095 0.05 . 2 . . . . A 635 HIS HB2 . 25649 1 401 . 1 . 1 41 41 HIS HD2 H 1 6.914 0.05 . 1 . . . . A 635 HIS HD2 . 25649 1 402 . 1 . 1 41 41 HIS C C 13 172.614 0.5 . 1 . . . . A 635 HIS C . 25649 1 403 . 1 . 1 41 41 HIS CA C 13 59.873 0.5 . 1 . . . . A 635 HIS CA . 25649 1 404 . 1 . 1 41 41 HIS CB C 13 31.137 0.5 . 1 . . . . A 635 HIS CB . 25649 1 405 . 1 . 1 41 41 HIS CD2 C 13 120.372 0.5 . 1 . . . . A 635 HIS CD2 . 25649 1 406 . 1 . 1 41 41 HIS N N 15 117.724 0.5 . 1 . . . . A 635 HIS N . 25649 1 407 . 1 . 1 42 42 ILE H H 1 8.468 0.05 . 1 . . . . A 636 ILE H . 25649 1 408 . 1 . 1 42 42 ILE HA H 1 3.419 0.05 . 1 . . . . A 636 ILE HA . 25649 1 409 . 1 . 1 42 42 ILE HB H 1 1.797 0.05 . 1 . . . . A 636 ILE HB . 25649 1 410 . 1 . 1 42 42 ILE HG12 H 1 1.752 0.05 . 2 . . . . A 636 ILE HG12 . 25649 1 411 . 1 . 1 42 42 ILE HG21 H 1 0.727 0.05 . 1 . . . . A 636 ILE HG21 . 25649 1 412 . 1 . 1 42 42 ILE HG22 H 1 0.727 0.05 . 1 . . . . A 636 ILE HG22 . 25649 1 413 . 1 . 1 42 42 ILE HG23 H 1 0.727 0.05 . 1 . . . . A 636 ILE HG23 . 25649 1 414 . 1 . 1 42 42 ILE HD11 H 1 0.554 0.05 . 1 . . . . A 636 ILE HD11 . 25649 1 415 . 1 . 1 42 42 ILE HD12 H 1 0.554 0.05 . 1 . . . . A 636 ILE HD12 . 25649 1 416 . 1 . 1 42 42 ILE HD13 H 1 0.554 0.05 . 1 . . . . A 636 ILE HD13 . 25649 1 417 . 1 . 1 42 42 ILE C C 13 173.995 0.5 . 1 . . . . A 636 ILE C . 25649 1 418 . 1 . 1 42 42 ILE CA C 13 66.007 0.5 . 1 . . . . A 636 ILE CA . 25649 1 419 . 1 . 1 42 42 ILE CB C 13 38.107 0.5 . 1 . . . . A 636 ILE CB . 25649 1 420 . 1 . 1 42 42 ILE CG1 C 13 29.534 0.5 . 1 . . . . A 636 ILE CG1 . 25649 1 421 . 1 . 1 42 42 ILE CG2 C 13 16.922 0.5 . 1 . . . . A 636 ILE CG2 . 25649 1 422 . 1 . 1 42 42 ILE CD1 C 13 14.363 0.5 . 1 . . . . A 636 ILE CD1 . 25649 1 423 . 1 . 1 42 42 ILE N N 15 121.433 0.5 . 1 . . . . A 636 ILE N . 25649 1 424 . 1 . 1 43 43 ILE H H 1 7.544 0.05 . 1 . . . . A 637 ILE H . 25649 1 425 . 1 . 1 43 43 ILE HA H 1 3.422 0.05 . 1 . . . . A 637 ILE HA . 25649 1 426 . 1 . 1 43 43 ILE HB H 1 1.739 0.05 . 1 . . . . A 637 ILE HB . 25649 1 427 . 1 . 1 43 43 ILE HG12 H 1 1.6 0.05 . 2 . . . . A 637 ILE HG12 . 25649 1 428 . 1 . 1 43 43 ILE HG21 H 1 0.756 0.05 . 1 . . . . A 637 ILE HG21 . 25649 1 429 . 1 . 1 43 43 ILE HG22 H 1 0.756 0.05 . 1 . . . . A 637 ILE HG22 . 25649 1 430 . 1 . 1 43 43 ILE HG23 H 1 0.756 0.05 . 1 . . . . A 637 ILE HG23 . 25649 1 431 . 1 . 1 43 43 ILE HD11 H 1 0.612 0.05 . 1 . . . . A 637 ILE HD11 . 25649 1 432 . 1 . 1 43 43 ILE HD12 H 1 0.612 0.05 . 1 . . . . A 637 ILE HD12 . 25649 1 433 . 1 . 1 43 43 ILE HD13 H 1 0.612 0.05 . 1 . . . . A 637 ILE HD13 . 25649 1 434 . 1 . 1 43 43 ILE C C 13 173.876 0.5 . 1 . . . . A 637 ILE C . 25649 1 435 . 1 . 1 43 43 ILE CA C 13 65.449 0.5 . 1 . . . . A 637 ILE CA . 25649 1 436 . 1 . 1 43 43 ILE CB C 13 37.358 0.5 . 1 . . . . A 637 ILE CB . 25649 1 437 . 1 . 1 43 43 ILE CG1 C 13 28.808 0.5 . 1 . . . . A 637 ILE CG1 . 25649 1 438 . 1 . 1 43 43 ILE CG2 C 13 17.672 0.5 . 1 . . . . A 637 ILE CG2 . 25649 1 439 . 1 . 1 43 43 ILE CD1 C 13 13.364 0.5 . 1 . . . . A 637 ILE CD1 . 25649 1 440 . 1 . 1 43 43 ILE N N 15 117.186 0.5 . 1 . . . . A 637 ILE N . 25649 1 441 . 1 . 1 44 44 GLN H H 1 8.656 0.05 . 1 . . . . A 638 GLN H . 25649 1 442 . 1 . 1 44 44 GLN HA H 1 3.894 0.05 . 1 . . . . A 638 GLN HA . 25649 1 443 . 1 . 1 44 44 GLN HB2 H 1 2.064 0.05 . 2 . . . . A 638 GLN HB2 . 25649 1 444 . 1 . 1 44 44 GLN HG2 H 1 2.524 0.05 . 2 . . . . A 638 GLN HG2 . 25649 1 445 . 1 . 1 44 44 GLN HE21 H 1 6.812 0.05 . 2 . . . . A 638 GLN HE21 . 25649 1 446 . 1 . 1 44 44 GLN HE22 H 1 7.225 0.05 . 2 . . . . A 638 GLN HE22 . 25649 1 447 . 1 . 1 44 44 GLN C C 13 173.121 0.5 . 1 . . . . A 638 GLN C . 25649 1 448 . 1 . 1 44 44 GLN CA C 13 58.915 0.5 . 1 . . . . A 638 GLN CA . 25649 1 449 . 1 . 1 44 44 GLN CB C 13 28.26 0.5 . 1 . . . . A 638 GLN CB . 25649 1 450 . 1 . 1 44 44 GLN CG C 13 34.652 0.5 . 1 . . . . A 638 GLN CG . 25649 1 451 . 1 . 1 44 44 GLN CD C 13 181.746 0.5 . 1 . . . . A 638 GLN CD . 25649 1 452 . 1 . 1 44 44 GLN N N 15 115.896 0.5 . 1 . . . . A 638 GLN N . 25649 1 453 . 1 . 1 44 44 GLN NE2 N 15 110.887 0.5 . 1 . . . . A 638 GLN NE2 . 25649 1 454 . 1 . 1 45 45 SER H H 1 8.008 0.05 . 1 . . . . A 639 SER H . 25649 1 455 . 1 . 1 45 45 SER HA H 1 4.151 0.05 . 1 . . . . A 639 SER HA . 25649 1 456 . 1 . 1 45 45 SER HB2 H 1 3.782 0.05 . 2 . . . . A 639 SER HB2 . 25649 1 457 . 1 . 1 45 45 SER C C 13 175.58 0.5 . 1 . . . . A 639 SER C . 25649 1 458 . 1 . 1 45 45 SER CA C 13 60.556 0.5 . 1 . . . . A 639 SER CA . 25649 1 459 . 1 . 1 45 45 SER CB C 13 63.382 0.5 . 1 . . . . A 639 SER CB . 25649 1 460 . 1 . 1 45 45 SER N N 15 111.39 0.5 . 1 . . . . A 639 SER N . 25649 1 461 . 1 . 1 46 46 ARG H H 1 7.502 0.05 . 1 . . . . A 640 ARG H . 25649 1 462 . 1 . 1 46 46 ARG HA H 1 4.371 0.05 . 1 . . . . A 640 ARG HA . 25649 1 463 . 1 . 1 46 46 ARG C C 13 174.712 0.5 . 1 . . . . A 640 ARG C . 25649 1 464 . 1 . 1 46 46 ARG CA C 13 56.354 0.5 . 1 . . . . A 640 ARG CA . 25649 1 465 . 1 . 1 46 46 ARG CB C 13 32.876 0.5 . 1 . . . . A 640 ARG CB . 25649 1 466 . 1 . 1 46 46 ARG CG C 13 27.996 0.5 . 1 . . . . A 640 ARG CG . 25649 1 467 . 1 . 1 46 46 ARG CD C 13 42.741 0.5 . 1 . . . . A 640 ARG CD . 25649 1 468 . 1 . 1 46 46 ARG N N 15 118.599 0.5 . 1 . . . . A 640 ARG N . 25649 1 469 . 1 . 1 47 47 GLU H H 1 7.906 0.05 . 1 . . . . A 641 GLU H . 25649 1 470 . 1 . 1 47 47 GLU HA H 1 4.881 0.05 . 1 . . . . A 641 GLU HA . 25649 1 471 . 1 . 1 47 47 GLU HB2 H 1 2.03 0.05 . 2 . . . . A 641 GLU HB2 . 25649 1 472 . 1 . 1 47 47 GLU CA C 13 53.274 0.5 . 1 . . . . A 641 GLU CA . 25649 1 473 . 1 . 1 47 47 GLU CB C 13 28.751 0.5 . 1 . . . . A 641 GLU CB . 25649 1 474 . 1 . 1 47 47 GLU N N 15 117.907 0.5 . 1 . . . . A 641 GLU N . 25649 1 475 . 1 . 1 48 48 PRO HA H 1 4.429 0.05 . 1 . . . . A 642 PRO HA . 25649 1 476 . 1 . 1 48 48 PRO HB3 H 1 2.337 0.05 . 2 . . . . A 642 PRO HB3 . 25649 1 477 . 1 . 1 48 48 PRO HG2 H 1 1.988 0.05 . 2 . . . . A 642 PRO HG2 . 25649 1 478 . 1 . 1 48 48 PRO HD2 H 1 3.742 0.05 . 2 . . . . A 642 PRO HD2 . 25649 1 479 . 1 . 1 48 48 PRO C C 13 173.467 0.5 . 1 . . . . A 642 PRO C . 25649 1 480 . 1 . 1 48 48 PRO CA C 13 64.119 0.5 . 1 . . . . A 642 PRO CA . 25649 1 481 . 1 . 1 48 48 PRO CB C 13 31.794 0.5 . 1 . . . . A 642 PRO CB . 25649 1 482 . 1 . 1 48 48 PRO CG C 13 27.318 0.5 . 1 . . . . A 642 PRO CG . 25649 1 483 . 1 . 1 48 48 PRO CD C 13 50.559 0.5 . 1 . . . . A 642 PRO CD . 25649 1 484 . 1 . 1 49 49 SER H H 1 8.307 0.05 . 1 . . . . A 643 SER H . 25649 1 485 . 1 . 1 49 49 SER HA H 1 4.423 0.05 . 1 . . . . A 643 SER HA . 25649 1 486 . 1 . 1 49 49 SER HB2 H 1 3.952 0.05 . 2 . . . . A 643 SER HB2 . 25649 1 487 . 1 . 1 49 49 SER C C 13 176.436 0.5 . 1 . . . . A 643 SER C . 25649 1 488 . 1 . 1 49 49 SER CA C 13 58.929 0.5 . 1 . . . . A 643 SER CA . 25649 1 489 . 1 . 1 49 49 SER CB C 13 63.473 0.5 . 1 . . . . A 643 SER CB . 25649 1 490 . 1 . 1 49 49 SER N N 15 113.841 0.5 . 1 . . . . A 643 SER N . 25649 1 491 . 1 . 1 50 50 LEU H H 1 7.99 0.05 . 1 . . . . A 644 LEU H . 25649 1 492 . 1 . 1 50 50 LEU HA H 1 4.366 0.05 . 1 . . . . A 644 LEU HA . 25649 1 493 . 1 . 1 50 50 LEU HB2 H 1 1.659 0.05 . 2 . . . . A 644 LEU HB2 . 25649 1 494 . 1 . 1 50 50 LEU HD11 H 1 0.871 0.05 . 2 . . . . A 644 LEU HD11 . 25649 1 495 . 1 . 1 50 50 LEU HD12 H 1 0.871 0.05 . 2 . . . . A 644 LEU HD12 . 25649 1 496 . 1 . 1 50 50 LEU HD13 H 1 0.871 0.05 . 2 . . . . A 644 LEU HD13 . 25649 1 497 . 1 . 1 50 50 LEU HD21 H 1 0.857 0.05 . 2 . . . . A 644 LEU HD21 . 25649 1 498 . 1 . 1 50 50 LEU HD22 H 1 0.857 0.05 . 2 . . . . A 644 LEU HD22 . 25649 1 499 . 1 . 1 50 50 LEU HD23 H 1 0.857 0.05 . 2 . . . . A 644 LEU HD23 . 25649 1 500 . 1 . 1 50 50 LEU C C 13 173.751 0.5 . 1 . . . . A 644 LEU C . 25649 1 501 . 1 . 1 50 50 LEU CA C 13 55.36 0.5 . 1 . . . . A 644 LEU CA . 25649 1 502 . 1 . 1 50 50 LEU CB C 13 41.663 0.5 . 1 . . . . A 644 LEU CB . 25649 1 503 . 1 . 1 50 50 LEU CD1 C 13 25.156 0.5 . 2 . . . . A 644 LEU CD1 . 25649 1 504 . 1 . 1 50 50 LEU CD2 C 13 23.389 0.5 . 2 . . . . A 644 LEU CD2 . 25649 1 505 . 1 . 1 50 50 LEU N N 15 123.432 0.5 . 1 . . . . A 644 LEU N . 25649 1 506 . 1 . 1 51 51 LYS H H 1 8.087 0.05 . 1 . . . . A 645 LYS H . 25649 1 507 . 1 . 1 51 51 LYS HA H 1 4.208 0.05 . 1 . . . . A 645 LYS HA . 25649 1 508 . 1 . 1 51 51 LYS C C 13 175.107 0.5 . 1 . . . . A 645 LYS C . 25649 1 509 . 1 . 1 51 51 LYS CA C 13 57.102 0.5 . 1 . . . . A 645 LYS CA . 25649 1 510 . 1 . 1 51 51 LYS CB C 13 32.667 0.5 . 1 . . . . A 645 LYS CB . 25649 1 511 . 1 . 1 51 51 LYS CG C 13 24.795 0.5 . 1 . . . . A 645 LYS CG . 25649 1 512 . 1 . 1 51 51 LYS N N 15 122.03 0.5 . 1 . . . . A 645 LYS N . 25649 1 513 . 1 . 1 52 52 ASN H H 1 8.41 0.05 . 1 . . . . A 646 ASN H . 25649 1 514 . 1 . 1 52 52 ASN HA H 1 4.863 0.05 . 1 . . . . A 646 ASN HA . 25649 1 515 . 1 . 1 52 52 ASN HB2 H 1 2.885 0.05 . 2 . . . . A 646 ASN HB2 . 25649 1 516 . 1 . 1 52 52 ASN HD21 H 1 6.998 0.05 . 2 . . . . A 646 ASN HD21 . 25649 1 517 . 1 . 1 52 52 ASN HD22 H 1 7.709 0.05 . 2 . . . . A 646 ASN HD22 . 25649 1 518 . 1 . 1 52 52 ASN C C 13 176.439 0.5 . 1 . . . . A 646 ASN C . 25649 1 519 . 1 . 1 52 52 ASN CA C 13 52.888 0.5 . 1 . . . . A 646 ASN CA . 25649 1 520 . 1 . 1 52 52 ASN CB C 13 38.91 0.5 . 1 . . . . A 646 ASN CB . 25649 1 521 . 1 . 1 52 52 ASN CG C 13 174.157 0.5 . 1 . . . . A 646 ASN CG . 25649 1 522 . 1 . 1 52 52 ASN N N 15 119.897 0.5 . 1 . . . . A 646 ASN N . 25649 1 523 . 1 . 1 52 52 ASN ND2 N 15 113.436 0.5 . 1 . . . . A 646 ASN ND2 . 25649 1 524 . 1 . 1 53 53 SER H H 1 8.169 0.05 . 1 . . . . A 647 SER H . 25649 1 525 . 1 . 1 53 53 SER HA H 1 4.426 0.05 . 1 . . . . A 647 SER HA . 25649 1 526 . 1 . 1 53 53 SER HB2 H 1 3.903 0.05 . 2 . . . . A 647 SER HB2 . 25649 1 527 . 1 . 1 53 53 SER C C 13 177.489 0.5 . 1 . . . . A 647 SER C . 25649 1 528 . 1 . 1 53 53 SER CA C 13 59.255 0.5 . 1 . . . . A 647 SER CA . 25649 1 529 . 1 . 1 53 53 SER CB C 13 63.884 0.5 . 1 . . . . A 647 SER CB . 25649 1 530 . 1 . 1 53 53 SER N N 15 116.088 0.5 . 1 . . . . A 647 SER N . 25649 1 531 . 1 . 1 54 54 ASN H H 1 8.508 0.05 . 1 . . . . A 648 ASN H . 25649 1 532 . 1 . 1 54 54 ASN HA H 1 5.045 0.05 . 1 . . . . A 648 ASN HA . 25649 1 533 . 1 . 1 54 54 ASN HB2 H 1 3.224 0.05 . 2 . . . . A 648 ASN HB2 . 25649 1 534 . 1 . 1 54 54 ASN HD21 H 1 7.148 0.05 . 2 . . . . A 648 ASN HD21 . 25649 1 535 . 1 . 1 54 54 ASN HD22 H 1 7.716 0.05 . 2 . . . . A 648 ASN HD22 . 25649 1 536 . 1 . 1 54 54 ASN CA C 13 50.791 0.5 . 1 . . . . A 648 ASN CA . 25649 1 537 . 1 . 1 54 54 ASN CB C 13 39.395 0.5 . 1 . . . . A 648 ASN CB . 25649 1 538 . 1 . 1 54 54 ASN CG C 13 173.929 0.5 . 1 . . . . A 648 ASN CG . 25649 1 539 . 1 . 1 54 54 ASN N N 15 122.226 0.5 . 1 . . . . A 648 ASN N . 25649 1 540 . 1 . 1 54 54 ASN ND2 N 15 113.263 0.5 . 1 . . . . A 648 ASN ND2 . 25649 1 541 . 1 . 1 55 55 PRO HA H 1 4.437 0.05 . 1 . . . . A 649 PRO HA . 25649 1 542 . 1 . 1 55 55 PRO HB3 H 1 2.304 0.05 . 2 . . . . A 649 PRO HB3 . 25649 1 543 . 1 . 1 55 55 PRO HD2 H 1 3.863 0.05 . 2 . . . . A 649 PRO HD2 . 25649 1 544 . 1 . 1 55 55 PRO C C 13 174.842 0.5 . 1 . . . . A 649 PRO C . 25649 1 545 . 1 . 1 55 55 PRO CA C 13 64.2 0.5 . 1 . . . . A 649 PRO CA . 25649 1 546 . 1 . 1 55 55 PRO CB C 13 32.345 0.5 . 1 . . . . A 649 PRO CB . 25649 1 547 . 1 . 1 55 55 PRO CG C 13 27.012 0.5 . 1 . . . . A 649 PRO CG . 25649 1 548 . 1 . 1 55 55 PRO CD C 13 50.788 0.5 . 1 . . . . A 649 PRO CD . 25649 1 549 . 1 . 1 56 56 ASP H H 1 8.152 0.05 . 1 . . . . A 650 ASP H . 25649 1 550 . 1 . 1 56 56 ASP HA H 1 4.799 0.05 . 1 . . . . A 650 ASP HA . 25649 1 551 . 1 . 1 56 56 ASP HB2 H 1 3.017 0.05 . 2 . . . . A 650 ASP HB2 . 25649 1 552 . 1 . 1 56 56 ASP C C 13 176.762 0.5 . 1 . . . . A 650 ASP C . 25649 1 553 . 1 . 1 56 56 ASP CA C 13 54.082 0.5 . 1 . . . . A 650 ASP CA . 25649 1 554 . 1 . 1 56 56 ASP CB C 13 42.074 0.5 . 1 . . . . A 650 ASP CB . 25649 1 555 . 1 . 1 56 56 ASP N N 15 115.531 0.5 . 1 . . . . A 650 ASP N . 25649 1 556 . 1 . 1 57 57 GLU H H 1 7.495 0.05 . 1 . . . . A 651 GLU H . 25649 1 557 . 1 . 1 57 57 GLU HA H 1 5.426 0.05 . 1 . . . . A 651 GLU HA . 25649 1 558 . 1 . 1 57 57 GLU HB2 H 1 1.961 0.05 . 2 . . . . A 651 GLU HB2 . 25649 1 559 . 1 . 1 57 57 GLU HG2 H 1 2.137 0.05 . 2 . . . . A 651 GLU HG2 . 25649 1 560 . 1 . 1 57 57 GLU C C 13 177.397 0.5 . 1 . . . . A 651 GLU C . 25649 1 561 . 1 . 1 57 57 GLU CA C 13 55.809 0.5 . 1 . . . . A 651 GLU CA . 25649 1 562 . 1 . 1 57 57 GLU CB C 13 33.314 0.5 . 1 . . . . A 651 GLU CB . 25649 1 563 . 1 . 1 57 57 GLU CG C 13 36.58 0.5 . 1 . . . . A 651 GLU CG . 25649 1 564 . 1 . 1 57 57 GLU N N 15 118.623 0.5 . 1 . . . . A 651 GLU N . 25649 1 565 . 1 . 1 58 58 ILE H H 1 9.112 0.05 . 1 . . . . A 652 ILE H . 25649 1 566 . 1 . 1 58 58 ILE HA H 1 4.527 0.05 . 1 . . . . A 652 ILE HA . 25649 1 567 . 1 . 1 58 58 ILE HB H 1 1.67 0.05 . 1 . . . . A 652 ILE HB . 25649 1 568 . 1 . 1 58 58 ILE HG12 H 1 0.981 0.05 . 2 . . . . A 652 ILE HG12 . 25649 1 569 . 1 . 1 58 58 ILE HG21 H 1 0.678 0.05 . 1 . . . . A 652 ILE HG21 . 25649 1 570 . 1 . 1 58 58 ILE HG22 H 1 0.678 0.05 . 1 . . . . A 652 ILE HG22 . 25649 1 571 . 1 . 1 58 58 ILE HG23 H 1 0.678 0.05 . 1 . . . . A 652 ILE HG23 . 25649 1 572 . 1 . 1 58 58 ILE HD11 H 1 0.637 0.05 . 1 . . . . A 652 ILE HD11 . 25649 1 573 . 1 . 1 58 58 ILE HD12 H 1 0.637 0.05 . 1 . . . . A 652 ILE HD12 . 25649 1 574 . 1 . 1 58 58 ILE HD13 H 1 0.637 0.05 . 1 . . . . A 652 ILE HD13 . 25649 1 575 . 1 . 1 58 58 ILE C C 13 177.606 0.5 . 1 . . . . A 652 ILE C . 25649 1 576 . 1 . 1 58 58 ILE CA C 13 59.728 0.5 . 1 . . . . A 652 ILE CA . 25649 1 577 . 1 . 1 58 58 ILE CB C 13 40.912 0.5 . 1 . . . . A 652 ILE CB . 25649 1 578 . 1 . 1 58 58 ILE CG1 C 13 27.582 0.5 . 1 . . . . A 652 ILE CG1 . 25649 1 579 . 1 . 1 58 58 ILE CG2 C 13 16.785 0.5 . 1 . . . . A 652 ILE CG2 . 25649 1 580 . 1 . 1 58 58 ILE CD1 C 13 13.758 0.5 . 1 . . . . A 652 ILE CD1 . 25649 1 581 . 1 . 1 58 58 ILE N N 15 123.206 0.5 . 1 . . . . A 652 ILE N . 25649 1 582 . 1 . 1 59 59 GLU H H 1 8.618 0.05 . 1 . . . . A 653 GLU H . 25649 1 583 . 1 . 1 59 59 GLU HA H 1 4.797 0.05 . 1 . . . . A 653 GLU HA . 25649 1 584 . 1 . 1 59 59 GLU HB2 H 1 1.997 0.05 . 2 . . . . A 653 GLU HB2 . 25649 1 585 . 1 . 1 59 59 GLU HG2 H 1 2.124 0.05 . 2 . . . . A 653 GLU HG2 . 25649 1 586 . 1 . 1 59 59 GLU C C 13 176.279 0.5 . 1 . . . . A 653 GLU C . 25649 1 587 . 1 . 1 59 59 GLU CA C 13 55.445 0.5 . 1 . . . . A 653 GLU CA . 25649 1 588 . 1 . 1 59 59 GLU CB C 13 31.427 0.5 . 1 . . . . A 653 GLU CB . 25649 1 589 . 1 . 1 59 59 GLU CG C 13 37.175 0.5 . 1 . . . . A 653 GLU CG . 25649 1 590 . 1 . 1 59 59 GLU N N 15 127.136 0.5 . 1 . . . . A 653 GLU N . 25649 1 591 . 1 . 1 60 60 ILE H H 1 8.957 0.05 . 1 . . . . A 654 ILE H . 25649 1 592 . 1 . 1 60 60 ILE HA H 1 3.901 0.05 . 1 . . . . A 654 ILE HA . 25649 1 593 . 1 . 1 60 60 ILE HB H 1 1.404 0.05 . 1 . . . . A 654 ILE HB . 25649 1 594 . 1 . 1 60 60 ILE HG12 H 1 1.295 0.05 . 2 . . . . A 654 ILE HG12 . 25649 1 595 . 1 . 1 60 60 ILE HG21 H 1 -0.005 0.05 . 1 . . . . A 654 ILE HG21 . 25649 1 596 . 1 . 1 60 60 ILE HG22 H 1 -0.005 0.05 . 1 . . . . A 654 ILE HG22 . 25649 1 597 . 1 . 1 60 60 ILE HG23 H 1 -0.005 0.05 . 1 . . . . A 654 ILE HG23 . 25649 1 598 . 1 . 1 60 60 ILE HD11 H 1 0.479 0.05 . 1 . . . . A 654 ILE HD11 . 25649 1 599 . 1 . 1 60 60 ILE HD12 H 1 0.479 0.05 . 1 . . . . A 654 ILE HD12 . 25649 1 600 . 1 . 1 60 60 ILE HD13 H 1 0.479 0.05 . 1 . . . . A 654 ILE HD13 . 25649 1 601 . 1 . 1 60 60 ILE C C 13 178.345 0.5 . 1 . . . . A 654 ILE C . 25649 1 602 . 1 . 1 60 60 ILE CA C 13 60.67 0.5 . 1 . . . . A 654 ILE CA . 25649 1 603 . 1 . 1 60 60 ILE CB C 13 39.356 0.5 . 1 . . . . A 654 ILE CB . 25649 1 604 . 1 . 1 60 60 ILE CG1 C 13 26.585 0.5 . 1 . . . . A 654 ILE CG1 . 25649 1 605 . 1 . 1 60 60 ILE CG2 C 13 17.279 0.5 . 1 . . . . A 654 ILE CG2 . 25649 1 606 . 1 . 1 60 60 ILE CD1 C 13 13.623 0.5 . 1 . . . . A 654 ILE CD1 . 25649 1 607 . 1 . 1 60 60 ILE N N 15 125.297 0.5 . 1 . . . . A 654 ILE N . 25649 1 608 . 1 . 1 61 61 ASP H H 1 8.506 0.05 . 1 . . . . A 655 ASP H . 25649 1 609 . 1 . 1 61 61 ASP HA H 1 5.236 0.05 . 1 . . . . A 655 ASP HA . 25649 1 610 . 1 . 1 61 61 ASP HB2 H 1 3.035 0.05 . 2 . . . . A 655 ASP HB2 . 25649 1 611 . 1 . 1 61 61 ASP C C 13 173.152 0.5 . 1 . . . . A 655 ASP C . 25649 1 612 . 1 . 1 61 61 ASP CA C 13 51.504 0.5 . 1 . . . . A 655 ASP CA . 25649 1 613 . 1 . 1 61 61 ASP CB C 13 41.593 0.5 . 1 . . . . A 655 ASP CB . 25649 1 614 . 1 . 1 61 61 ASP N N 15 125.913 0.5 . 1 . . . . A 655 ASP N . 25649 1 615 . 1 . 1 62 62 PHE H H 1 9.289 0.05 . 1 . . . . A 656 PHE H . 25649 1 616 . 1 . 1 62 62 PHE HA H 1 3.975 0.05 . 1 . . . . A 656 PHE HA . 25649 1 617 . 1 . 1 62 62 PHE HB2 H 1 3.073 0.05 . 2 . . . . A 656 PHE HB2 . 25649 1 618 . 1 . 1 62 62 PHE HD2 H 1 7.211 0.05 . 3 . . . . A 656 PHE HD2 . 25649 1 619 . 1 . 1 62 62 PHE HE2 H 1 7.134 0.05 . 3 . . . . A 656 PHE HE2 . 25649 1 620 . 1 . 1 62 62 PHE HZ H 1 7.0468 0.05 . 1 . . . . A 656 PHE HZ . 25649 1 621 . 1 . 1 62 62 PHE C C 13 174.703 0.5 . 1 . . . . A 656 PHE C . 25649 1 622 . 1 . 1 62 62 PHE CA C 13 61.588 0.5 . 1 . . . . A 656 PHE CA . 25649 1 623 . 1 . 1 62 62 PHE CB C 13 38.778 0.5 . 1 . . . . A 656 PHE CB . 25649 1 624 . 1 . 1 62 62 PHE CD2 C 13 131.05 0.5 . 1 . . . . A 656 PHE CD2 . 25649 1 625 . 1 . 1 62 62 PHE CE2 C 13 133.645 0.5 . 1 . . . . A 656 PHE CE2 . 25649 1 626 . 1 . 1 62 62 PHE CZ C 13 130.6106 0.5 . 1 . . . . A 656 PHE CZ . 25649 1 627 . 1 . 1 62 62 PHE N N 15 122.277 0.5 . 1 . . . . A 656 PHE N . 25649 1 628 . 1 . 1 63 63 GLU H H 1 8.673 0.05 . 1 . . . . A 657 GLU H . 25649 1 629 . 1 . 1 63 63 GLU HA H 1 4.341 0.05 . 1 . . . . A 657 GLU HA . 25649 1 630 . 1 . 1 63 63 GLU HB2 H 1 2.215 0.05 . 2 . . . . A 657 GLU HB2 . 25649 1 631 . 1 . 1 63 63 GLU HG2 H 1 2.248 0.05 . 2 . . . . A 657 GLU HG2 . 25649 1 632 . 1 . 1 63 63 GLU C C 13 173.47 0.5 . 1 . . . . A 657 GLU C . 25649 1 633 . 1 . 1 63 63 GLU CA C 13 58.309 0.5 . 1 . . . . A 657 GLU CA . 25649 1 634 . 1 . 1 63 63 GLU CB C 13 30.093 0.5 . 1 . . . . A 657 GLU CB . 25649 1 635 . 1 . 1 63 63 GLU CG C 13 37.222 0.5 . 1 . . . . A 657 GLU CG . 25649 1 636 . 1 . 1 63 63 GLU N N 15 114.858 0.5 . 1 . . . . A 657 GLU N . 25649 1 637 . 1 . 1 64 64 THR H H 1 7.525 0.05 . 1 . . . . A 658 THR H . 25649 1 638 . 1 . 1 64 64 THR HA H 1 4.519 0.05 . 1 . . . . A 658 THR HA . 25649 1 639 . 1 . 1 64 64 THR HB H 1 4.436 0.05 . 1 . . . . A 658 THR HB . 25649 1 640 . 1 . 1 64 64 THR HG21 H 1 1.105 0.05 . 1 . . . . A 658 THR HG21 . 25649 1 641 . 1 . 1 64 64 THR HG22 H 1 1.105 0.05 . 1 . . . . A 658 THR HG22 . 25649 1 642 . 1 . 1 64 64 THR HG23 H 1 1.105 0.05 . 1 . . . . A 658 THR HG23 . 25649 1 643 . 1 . 1 64 64 THR C C 13 176.322 0.5 . 1 . . . . A 658 THR C . 25649 1 644 . 1 . 1 64 64 THR CA C 13 61.351 0.5 . 1 . . . . A 658 THR CA . 25649 1 645 . 1 . 1 64 64 THR CB C 13 69.766 0.5 . 1 . . . . A 658 THR CB . 25649 1 646 . 1 . 1 64 64 THR CG2 C 13 21.564 0.5 . 1 . . . . A 658 THR CG2 . 25649 1 647 . 1 . 1 64 64 THR N N 15 106.278 0.5 . 1 . . . . A 658 THR N . 25649 1 648 . 1 . 1 65 65 LEU H H 1 6.672 0.05 . 1 . . . . A 659 LEU H . 25649 1 649 . 1 . 1 65 65 LEU HA H 1 4.38 0.05 . 1 . . . . A 659 LEU HA . 25649 1 650 . 1 . 1 65 65 LEU HB2 H 1 1.572 0.05 . 2 . . . . A 659 LEU HB2 . 25649 1 651 . 1 . 1 65 65 LEU HG H 1 1.831 0.05 . 1 . . . . A 659 LEU HG . 25649 1 652 . 1 . 1 65 65 LEU HD11 H 1 0.74 0.05 . 2 . . . . A 659 LEU HD11 . 25649 1 653 . 1 . 1 65 65 LEU HD12 H 1 0.74 0.05 . 2 . . . . A 659 LEU HD12 . 25649 1 654 . 1 . 1 65 65 LEU HD13 H 1 0.74 0.05 . 2 . . . . A 659 LEU HD13 . 25649 1 655 . 1 . 1 65 65 LEU HD21 H 1 0.564 0.05 . 2 . . . . A 659 LEU HD21 . 25649 1 656 . 1 . 1 65 65 LEU HD22 H 1 0.564 0.05 . 2 . . . . A 659 LEU HD22 . 25649 1 657 . 1 . 1 65 65 LEU HD23 H 1 0.564 0.05 . 2 . . . . A 659 LEU HD23 . 25649 1 658 . 1 . 1 65 65 LEU C C 13 174.995 0.5 . 1 . . . . A 659 LEU C . 25649 1 659 . 1 . 1 65 65 LEU CA C 13 54.489 0.5 . 1 . . . . A 659 LEU CA . 25649 1 660 . 1 . 1 65 65 LEU CB C 13 43.383 0.5 . 1 . . . . A 659 LEU CB . 25649 1 661 . 1 . 1 65 65 LEU CG C 13 26.316 0.5 . 1 . . . . A 659 LEU CG . 25649 1 662 . 1 . 1 65 65 LEU CD1 C 13 23.407 0.5 . 2 . . . . A 659 LEU CD1 . 25649 1 663 . 1 . 1 65 65 LEU CD2 C 13 26.009 0.5 . 2 . . . . A 659 LEU CD2 . 25649 1 664 . 1 . 1 65 65 LEU N N 15 121.64 0.5 . 1 . . . . A 659 LEU N . 25649 1 665 . 1 . 1 66 66 LYS H H 1 10.024 0.05 . 1 . . . . A 660 LYS H . 25649 1 666 . 1 . 1 66 66 LYS HA H 1 4.457 0.05 . 1 . . . . A 660 LYS HA . 25649 1 667 . 1 . 1 66 66 LYS CA C 13 55.679 0.5 . 1 . . . . A 660 LYS CA . 25649 1 668 . 1 . 1 66 66 LYS CB C 13 31.727 0.5 . 1 . . . . A 660 LYS CB . 25649 1 669 . 1 . 1 66 66 LYS N N 15 123.396 0.5 . 1 . . . . A 660 LYS N . 25649 1 670 . 1 . 1 67 67 PRO HA H 1 4.183 0.05 . 1 . . . . A 661 PRO HA . 25649 1 671 . 1 . 1 67 67 PRO HB3 H 1 2.142 0.05 . 2 . . . . A 661 PRO HB3 . 25649 1 672 . 1 . 1 67 67 PRO HG2 H 1 2.282 0.05 . 2 . . . . A 661 PRO HG2 . 25649 1 673 . 1 . 1 67 67 PRO C C 13 172.798 0.5 . 1 . . . . A 661 PRO C . 25649 1 674 . 1 . 1 67 67 PRO CA C 13 66.16 0.5 . 1 . . . . A 661 PRO CA . 25649 1 675 . 1 . 1 67 67 PRO CB C 13 32.02 0.5 . 1 . . . . A 661 PRO CB . 25649 1 676 . 1 . 1 67 67 PRO CG C 13 27.781 0.5 . 1 . . . . A 661 PRO CG . 25649 1 677 . 1 . 1 68 68 SER H H 1 8.581 0.05 . 1 . . . . A 662 SER H . 25649 1 678 . 1 . 1 68 68 SER HA H 1 4.31 0.05 . 1 . . . . A 662 SER HA . 25649 1 679 . 1 . 1 68 68 SER HB2 H 1 3.982 0.05 . 2 . . . . A 662 SER HB2 . 25649 1 680 . 1 . 1 68 68 SER C C 13 173.679 0.5 . 1 . . . . A 662 SER C . 25649 1 681 . 1 . 1 68 68 SER CA C 13 60.823 0.5 . 1 . . . . A 662 SER CA . 25649 1 682 . 1 . 1 68 68 SER CB C 13 61.735 0.5 . 1 . . . . A 662 SER CB . 25649 1 683 . 1 . 1 68 68 SER N N 15 110.281 0.5 . 1 . . . . A 662 SER N . 25649 1 684 . 1 . 1 69 69 THR H H 1 7.373 0.05 . 1 . . . . A 663 THR H . 25649 1 685 . 1 . 1 69 69 THR HA H 1 3.79 0.05 . 1 . . . . A 663 THR HA . 25649 1 686 . 1 . 1 69 69 THR HB H 1 4.48 0.05 . 1 . . . . A 663 THR HB . 25649 1 687 . 1 . 1 69 69 THR HG21 H 1 1.144 0.05 . 1 . . . . A 663 THR HG21 . 25649 1 688 . 1 . 1 69 69 THR HG22 H 1 1.144 0.05 . 1 . . . . A 663 THR HG22 . 25649 1 689 . 1 . 1 69 69 THR HG23 H 1 1.144 0.05 . 1 . . . . A 663 THR HG23 . 25649 1 690 . 1 . 1 69 69 THR C C 13 175.149 0.5 . 1 . . . . A 663 THR C . 25649 1 691 . 1 . 1 69 69 THR CA C 13 65.916 0.5 . 1 . . . . A 663 THR CA . 25649 1 692 . 1 . 1 69 69 THR CB C 13 67.23 0.5 . 1 . . . . A 663 THR CB . 25649 1 693 . 1 . 1 69 69 THR CG2 C 13 24.162 0.5 . 1 . . . . A 663 THR CG2 . 25649 1 694 . 1 . 1 69 69 THR N N 15 122.407 0.5 . 1 . . . . A 663 THR N . 25649 1 695 . 1 . 1 70 70 LEU H H 1 8.043 0.05 . 1 . . . . A 664 LEU H . 25649 1 696 . 1 . 1 70 70 LEU HA H 1 3.801 0.05 . 1 . . . . A 664 LEU HA . 25649 1 697 . 1 . 1 70 70 LEU HB2 H 1 2.056 0.05 . 2 . . . . A 664 LEU HB2 . 25649 1 698 . 1 . 1 70 70 LEU HG H 1 1.606 0.05 . 1 . . . . A 664 LEU HG . 25649 1 699 . 1 . 1 70 70 LEU HD11 H 1 0.983 0.05 . 2 . . . . A 664 LEU HD11 . 25649 1 700 . 1 . 1 70 70 LEU HD12 H 1 0.983 0.05 . 2 . . . . A 664 LEU HD12 . 25649 1 701 . 1 . 1 70 70 LEU HD13 H 1 0.983 0.05 . 2 . . . . A 664 LEU HD13 . 25649 1 702 . 1 . 1 70 70 LEU HD21 H 1 0.973 0.05 . 2 . . . . A 664 LEU HD21 . 25649 1 703 . 1 . 1 70 70 LEU HD22 H 1 0.973 0.05 . 2 . . . . A 664 LEU HD22 . 25649 1 704 . 1 . 1 70 70 LEU HD23 H 1 0.973 0.05 . 2 . . . . A 664 LEU HD23 . 25649 1 705 . 1 . 1 70 70 LEU C C 13 172.376 0.5 . 1 . . . . A 664 LEU C . 25649 1 706 . 1 . 1 70 70 LEU CA C 13 58.59 0.5 . 1 . . . . A 664 LEU CA . 25649 1 707 . 1 . 1 70 70 LEU CB C 13 40.907 0.5 . 1 . . . . A 664 LEU CB . 25649 1 708 . 1 . 1 70 70 LEU CG C 13 26.869 0.5 . 1 . . . . A 664 LEU CG . 25649 1 709 . 1 . 1 70 70 LEU CD1 C 13 24.679 0.5 . 2 . . . . A 664 LEU CD1 . 25649 1 710 . 1 . 1 70 70 LEU CD2 C 13 26.599 0.5 . 2 . . . . A 664 LEU CD2 . 25649 1 711 . 1 . 1 70 70 LEU N N 15 120.971 0.5 . 1 . . . . A 664 LEU N . 25649 1 712 . 1 . 1 71 71 ARG H H 1 8.357 0.05 . 1 . . . . A 665 ARG H . 25649 1 713 . 1 . 1 71 71 ARG HA H 1 4.208 0.05 . 1 . . . . A 665 ARG HA . 25649 1 714 . 1 . 1 71 71 ARG C C 13 172.535 0.5 . 1 . . . . A 665 ARG C . 25649 1 715 . 1 . 1 71 71 ARG CA C 13 57.483 0.5 . 1 . . . . A 665 ARG CA . 25649 1 716 . 1 . 1 71 71 ARG CB C 13 28.99 0.5 . 1 . . . . A 665 ARG CB . 25649 1 717 . 1 . 1 71 71 ARG N N 15 115.708 0.5 . 1 . . . . A 665 ARG N . 25649 1 718 . 1 . 1 72 72 GLU H H 1 7.921 0.05 . 1 . . . . A 666 GLU H . 25649 1 719 . 1 . 1 72 72 GLU HA H 1 4.205 0.05 . 1 . . . . A 666 GLU HA . 25649 1 720 . 1 . 1 72 72 GLU C C 13 181.636 0.5 . 1 . . . . A 666 GLU C . 25649 1 721 . 1 . 1 72 72 GLU CA C 13 59.678 0.5 . 1 . . . . A 666 GLU CA . 25649 1 722 . 1 . 1 72 72 GLU CB C 13 28.825 0.5 . 1 . . . . A 666 GLU CB . 25649 1 723 . 1 . 1 72 72 GLU N N 15 122.889 0.5 . 1 . . . . A 666 GLU N . 25649 1 724 . 1 . 1 73 73 LEU H H 1 8.534 0.05 . 1 . . . . A 667 LEU H . 25649 1 725 . 1 . 1 73 73 LEU HA H 1 4.126 0.05 . 1 . . . . A 667 LEU HA . 25649 1 726 . 1 . 1 73 73 LEU HB2 H 1 2.271 0.05 . 2 . . . . A 667 LEU HB2 . 25649 1 727 . 1 . 1 73 73 LEU HD11 H 1 0.952 0.05 . 2 . . . . A 667 LEU HD11 . 25649 1 728 . 1 . 1 73 73 LEU HD12 H 1 0.952 0.05 . 2 . . . . A 667 LEU HD12 . 25649 1 729 . 1 . 1 73 73 LEU HD13 H 1 0.952 0.05 . 2 . . . . A 667 LEU HD13 . 25649 1 730 . 1 . 1 73 73 LEU HD21 H 1 0.848 0.05 . 2 . . . . A 667 LEU HD21 . 25649 1 731 . 1 . 1 73 73 LEU HD22 H 1 0.848 0.05 . 2 . . . . A 667 LEU HD22 . 25649 1 732 . 1 . 1 73 73 LEU HD23 H 1 0.848 0.05 . 2 . . . . A 667 LEU HD23 . 25649 1 733 . 1 . 1 73 73 LEU C C 13 173.545 0.5 . 1 . . . . A 667 LEU C . 25649 1 734 . 1 . 1 73 73 LEU CA C 13 58.106 0.5 . 1 . . . . A 667 LEU CA . 25649 1 735 . 1 . 1 73 73 LEU CB C 13 43.071 0.5 . 1 . . . . A 667 LEU CB . 25649 1 736 . 1 . 1 73 73 LEU CD1 C 13 25.165 0.5 . 2 . . . . A 667 LEU CD1 . 25649 1 737 . 1 . 1 73 73 LEU CD2 C 13 26.26 0.5 . 2 . . . . A 667 LEU CD2 . 25649 1 738 . 1 . 1 73 73 LEU N N 15 119.805 0.5 . 1 . . . . A 667 LEU N . 25649 1 739 . 1 . 1 74 74 GLU H H 1 8.697 0.05 . 1 . . . . A 668 GLU H . 25649 1 740 . 1 . 1 74 74 GLU HA H 1 3.807 0.05 . 1 . . . . A 668 GLU HA . 25649 1 741 . 1 . 1 74 74 GLU HB2 H 1 2.388 0.05 . 2 . . . . A 668 GLU HB2 . 25649 1 742 . 1 . 1 74 74 GLU HG2 H 1 2.204 0.05 . 2 . . . . A 668 GLU HG2 . 25649 1 743 . 1 . 1 74 74 GLU C C 13 172.719 0.5 . 1 . . . . A 668 GLU C . 25649 1 744 . 1 . 1 74 74 GLU CA C 13 59.944 0.5 . 1 . . . . A 668 GLU CA . 25649 1 745 . 1 . 1 74 74 GLU CB C 13 30.176 0.5 . 1 . . . . A 668 GLU CB . 25649 1 746 . 1 . 1 74 74 GLU CG C 13 35.757 0.5 . 1 . . . . A 668 GLU CG . 25649 1 747 . 1 . 1 74 74 GLU N N 15 120.485 0.5 . 1 . . . . A 668 GLU N . 25649 1 748 . 1 . 1 75 75 ARG H H 1 8.214 0.05 . 1 . . . . A 669 ARG H . 25649 1 749 . 1 . 1 75 75 ARG HA H 1 4.02 0.05 . 1 . . . . A 669 ARG HA . 25649 1 750 . 1 . 1 75 75 ARG HB2 H 1 2.026 0.05 . 2 . . . . A 669 ARG HB2 . 25649 1 751 . 1 . 1 75 75 ARG HG2 H 1 1.932 0.05 . 2 . . . . A 669 ARG HG2 . 25649 1 752 . 1 . 1 75 75 ARG HD2 H 1 3.317 0.05 . 2 . . . . A 669 ARG HD2 . 25649 1 753 . 1 . 1 75 75 ARG C C 13 172.129 0.5 . 1 . . . . A 669 ARG C . 25649 1 754 . 1 . 1 75 75 ARG CA C 13 59.942 0.5 . 1 . . . . A 669 ARG CA . 25649 1 755 . 1 . 1 75 75 ARG CB C 13 30.338 0.5 . 1 . . . . A 669 ARG CB . 25649 1 756 . 1 . 1 75 75 ARG CG C 13 27.912 0.5 . 1 . . . . A 669 ARG CG . 25649 1 757 . 1 . 1 75 75 ARG CD C 13 43.574 0.5 . 1 . . . . A 669 ARG CD . 25649 1 758 . 1 . 1 75 75 ARG N N 15 120.405 0.5 . 1 . . . . A 669 ARG N . 25649 1 759 . 1 . 1 76 76 TYR H H 1 8.041 0.05 . 1 . . . . A 670 TYR H . 25649 1 760 . 1 . 1 76 76 TYR HA H 1 4.35 0.05 . 1 . . . . A 670 TYR HA . 25649 1 761 . 1 . 1 76 76 TYR HB2 H 1 3.35 0.05 . 2 . . . . A 670 TYR HB2 . 25649 1 762 . 1 . 1 76 76 TYR HD1 H 1 6.943 0.05 . 3 . . . . A 670 TYR HD1 . 25649 1 763 . 1 . 1 76 76 TYR HE1 H 1 6.741 0.05 . 3 . . . . A 670 TYR HE1 . 25649 1 764 . 1 . 1 76 76 TYR C C 13 172.86 0.5 . 1 . . . . A 670 TYR C . 25649 1 765 . 1 . 1 76 76 TYR CA C 13 61.338 0.5 . 1 . . . . A 670 TYR CA . 25649 1 766 . 1 . 1 76 76 TYR CB C 13 38.272 0.5 . 1 . . . . A 670 TYR CB . 25649 1 767 . 1 . 1 76 76 TYR CE1 C 13 117.59 0.5 . 1 . . . . A 670 TYR CE1 . 25649 1 768 . 1 . 1 76 76 TYR N N 15 120.203 0.5 . 1 . . . . A 670 TYR N . 25649 1 769 . 1 . 1 77 77 VAL H H 1 9.235 0.05 . 1 . . . . A 671 VAL H . 25649 1 770 . 1 . 1 77 77 VAL HA H 1 3.144 0.05 . 1 . . . . A 671 VAL HA . 25649 1 771 . 1 . 1 77 77 VAL HB H 1 2.112 0.05 . 1 . . . . A 671 VAL HB . 25649 1 772 . 1 . 1 77 77 VAL HG11 H 1 0.892 0.05 . 2 . . . . A 671 VAL HG11 . 25649 1 773 . 1 . 1 77 77 VAL HG12 H 1 0.892 0.05 . 2 . . . . A 671 VAL HG12 . 25649 1 774 . 1 . 1 77 77 VAL HG13 H 1 0.892 0.05 . 2 . . . . A 671 VAL HG13 . 25649 1 775 . 1 . 1 77 77 VAL HG21 H 1 1.078 0.05 . 2 . . . . A 671 VAL HG21 . 25649 1 776 . 1 . 1 77 77 VAL HG22 H 1 1.078 0.05 . 2 . . . . A 671 VAL HG22 . 25649 1 777 . 1 . 1 77 77 VAL HG23 H 1 1.078 0.05 . 2 . . . . A 671 VAL HG23 . 25649 1 778 . 1 . 1 77 77 VAL C C 13 173.325 0.5 . 1 . . . . A 671 VAL C . 25649 1 779 . 1 . 1 77 77 VAL CA C 13 67.488 0.5 . 1 . . . . A 671 VAL CA . 25649 1 780 . 1 . 1 77 77 VAL CB C 13 31.439 0.5 . 1 . . . . A 671 VAL CB . 25649 1 781 . 1 . 1 77 77 VAL CG1 C 13 22.097 0.5 . 2 . . . . A 671 VAL CG1 . 25649 1 782 . 1 . 1 77 77 VAL CG2 C 13 23.458 0.5 . 2 . . . . A 671 VAL CG2 . 25649 1 783 . 1 . 1 77 77 VAL N N 15 121.488 0.5 . 1 . . . . A 671 VAL N . 25649 1 784 . 1 . 1 78 78 THR H H 1 8.461 0.05 . 1 . . . . A 672 THR H . 25649 1 785 . 1 . 1 78 78 THR HA H 1 3.784 0.05 . 1 . . . . A 672 THR HA . 25649 1 786 . 1 . 1 78 78 THR HB H 1 4.207 0.05 . 1 . . . . A 672 THR HB . 25649 1 787 . 1 . 1 78 78 THR HG21 H 1 1.211 0.05 . 1 . . . . A 672 THR HG21 . 25649 1 788 . 1 . 1 78 78 THR HG22 H 1 1.211 0.05 . 1 . . . . A 672 THR HG22 . 25649 1 789 . 1 . 1 78 78 THR HG23 H 1 1.211 0.05 . 1 . . . . A 672 THR HG23 . 25649 1 790 . 1 . 1 78 78 THR C C 13 174.742 0.5 . 1 . . . . A 672 THR C . 25649 1 791 . 1 . 1 78 78 THR CA C 13 66.89 0.5 . 1 . . . . A 672 THR CA . 25649 1 792 . 1 . 1 78 78 THR CB C 13 68.445 0.5 . 1 . . . . A 672 THR CB . 25649 1 793 . 1 . 1 78 78 THR CG2 C 13 21.877 0.5 . 1 . . . . A 672 THR CG2 . 25649 1 794 . 1 . 1 78 78 THR N N 15 115.337 0.5 . 1 . . . . A 672 THR N . 25649 1 795 . 1 . 1 79 79 SER H H 1 7.573 0.05 . 1 . . . . A 673 SER H . 25649 1 796 . 1 . 1 79 79 SER HA H 1 4.245 0.05 . 1 . . . . A 673 SER HA . 25649 1 797 . 1 . 1 79 79 SER HB2 H 1 4.043 0.05 . 2 . . . . A 673 SER HB2 . 25649 1 798 . 1 . 1 79 79 SER C C 13 175.306 0.5 . 1 . . . . A 673 SER C . 25649 1 799 . 1 . 1 79 79 SER CA C 13 61.461 0.5 . 1 . . . . A 673 SER CA . 25649 1 800 . 1 . 1 79 79 SER CB C 13 62.786 0.5 . 1 . . . . A 673 SER CB . 25649 1 801 . 1 . 1 79 79 SER N N 15 116.636 0.5 . 1 . . . . A 673 SER N . 25649 1 802 . 1 . 1 80 80 CYS H H 1 7.516 0.05 . 1 . . . . A 674 CYS H . 25649 1 803 . 1 . 1 80 80 CYS HA H 1 4.181 0.05 . 1 . . . . A 674 CYS HA . 25649 1 804 . 1 . 1 80 80 CYS HB2 H 1 2.889 0.05 . 2 . . . . A 674 CYS HB2 . 25649 1 805 . 1 . 1 80 80 CYS C C 13 175.008 0.5 . 1 . . . . A 674 CYS C . 25649 1 806 . 1 . 1 80 80 CYS CA C 13 62.201 0.5 . 1 . . . . A 674 CYS CA . 25649 1 807 . 1 . 1 80 80 CYS CB C 13 27.964 0.5 . 1 . . . . A 674 CYS CB . 25649 1 808 . 1 . 1 80 80 CYS N N 15 118.474 0.5 . 1 . . . . A 674 CYS N . 25649 1 809 . 1 . 1 81 81 LEU H H 1 7.687 0.05 . 1 . . . . A 675 LEU H . 25649 1 810 . 1 . 1 81 81 LEU HA H 1 4.318 0.05 . 1 . . . . A 675 LEU HA . 25649 1 811 . 1 . 1 81 81 LEU HB2 H 1 1.64 0.05 . 2 . . . . A 675 LEU HB2 . 25649 1 812 . 1 . 1 81 81 LEU HD11 H 1 0.724 0.05 . 2 . . . . A 675 LEU HD11 . 25649 1 813 . 1 . 1 81 81 LEU HD12 H 1 0.724 0.05 . 2 . . . . A 675 LEU HD12 . 25649 1 814 . 1 . 1 81 81 LEU HD13 H 1 0.724 0.05 . 2 . . . . A 675 LEU HD13 . 25649 1 815 . 1 . 1 81 81 LEU HD21 H 1 0.767 0.05 . 2 . . . . A 675 LEU HD21 . 25649 1 816 . 1 . 1 81 81 LEU HD22 H 1 0.767 0.05 . 2 . . . . A 675 LEU HD22 . 25649 1 817 . 1 . 1 81 81 LEU HD23 H 1 0.767 0.05 . 2 . . . . A 675 LEU HD23 . 25649 1 818 . 1 . 1 81 81 LEU C C 13 174.067 0.5 . 1 . . . . A 675 LEU C . 25649 1 819 . 1 . 1 81 81 LEU CA C 13 55.465 0.5 . 1 . . . . A 675 LEU CA . 25649 1 820 . 1 . 1 81 81 LEU CB C 13 42.618 0.5 . 1 . . . . A 675 LEU CB . 25649 1 821 . 1 . 1 81 81 LEU CD1 C 13 22.358 0.5 . 2 . . . . A 675 LEU CD1 . 25649 1 822 . 1 . 1 81 81 LEU CD2 C 13 25.843 0.5 . 2 . . . . A 675 LEU CD2 . 25649 1 823 . 1 . 1 81 81 LEU N N 15 118.335 0.5 . 1 . . . . A 675 LEU N . 25649 1 824 . 1 . 1 82 82 ARG H H 1 7.814 0.05 . 1 . . . . A 676 ARG H . 25649 1 825 . 1 . 1 82 82 ARG HA H 1 4.282 0.05 . 1 . . . . A 676 ARG HA . 25649 1 826 . 1 . 1 82 82 ARG HG2 H 1 1.613 0.05 . 2 . . . . A 676 ARG HG2 . 25649 1 827 . 1 . 1 82 82 ARG HD2 H 1 3.137 0.05 . 2 . . . . A 676 ARG HD2 . 25649 1 828 . 1 . 1 82 82 ARG C C 13 175.345 0.5 . 1 . . . . A 676 ARG C . 25649 1 829 . 1 . 1 82 82 ARG CA C 13 56.452 0.5 . 1 . . . . A 676 ARG CA . 25649 1 830 . 1 . 1 82 82 ARG CB C 13 30.221 0.5 . 1 . . . . A 676 ARG CB . 25649 1 831 . 1 . 1 82 82 ARG CG C 13 27.25 0.5 . 1 . . . . A 676 ARG CG . 25649 1 832 . 1 . 1 82 82 ARG N N 15 119.371 0.5 . 1 . . . . A 676 ARG N . 25649 1 833 . 1 . 1 83 83 LYS H H 1 8.054 0.05 . 1 . . . . A 677 LYS H . 25649 1 834 . 1 . 1 83 83 LYS HA H 1 4.278 0.05 . 1 . . . . A 677 LYS HA . 25649 1 835 . 1 . 1 83 83 LYS HB2 H 1 1.79 0.05 . 2 . . . . A 677 LYS HB2 . 25649 1 836 . 1 . 1 83 83 LYS C C 13 174.921 0.5 . 1 . . . . A 677 LYS C . 25649 1 837 . 1 . 1 83 83 LYS CA C 13 56.387 0.5 . 1 . . . . A 677 LYS CA . 25649 1 838 . 1 . 1 83 83 LYS CB C 13 32.96 0.5 . 1 . . . . A 677 LYS CB . 25649 1 839 . 1 . 1 83 83 LYS CG C 13 25.003 0.5 . 1 . . . . A 677 LYS CG . 25649 1 840 . 1 . 1 83 83 LYS N N 15 121.697 0.5 . 1 . . . . A 677 LYS N . 25649 1 841 . 1 . 1 84 84 LYS H H 1 8.375 0.05 . 1 . . . . A 678 LYS H . 25649 1 842 . 1 . 1 84 84 LYS CA C 13 56.319 0.5 . 1 . . . . A 678 LYS CA . 25649 1 843 . 1 . 1 84 84 LYS CB C 13 32.989 0.5 . 1 . . . . A 678 LYS CB . 25649 1 844 . 1 . 1 84 84 LYS CG C 13 24.951 0.5 . 1 . . . . A 678 LYS CG . 25649 1 845 . 1 . 1 84 84 LYS N N 15 122.902 0.5 . 1 . . . . A 678 LYS N . 25649 1 846 . 1 . 1 85 85 THR H H 1 8.204 0.05 . 1 . . . . . 679 THR H . 25649 1 847 . 1 . 1 85 85 THR HA H 1 4.327 0.05 . 1 . . . . . 679 THR HA . 25649 1 848 . 1 . 1 85 85 THR HB H 1 4.245 0.05 . 1 . . . . . 679 THR HB . 25649 1 849 . 1 . 1 85 85 THR HG21 H 1 1.192 0.05 . 1 . . . . . 679 THR HG21 . 25649 1 850 . 1 . 1 85 85 THR HG22 H 1 1.192 0.05 . 1 . . . . . 679 THR HG21 . 25649 1 851 . 1 . 1 85 85 THR HG23 H 1 1.192 0.05 . 1 . . . . . 679 THR HG21 . 25649 1 852 . 1 . 1 85 85 THR C C 13 177.732 0.5 . 1 . . . . . 679 THR C . 25649 1 853 . 1 . 1 85 85 THR CA C 13 61.795 0.5 . 1 . . . . . 679 THR CA . 25649 1 854 . 1 . 1 85 85 THR CB C 13 69.941 0.5 . 1 . . . . . 679 THR CB . 25649 1 855 . 1 . 1 85 85 THR CG2 C 13 21.944 0.5 . 1 . . . . . 679 THR CG2 . 25649 1 856 . 1 . 1 85 85 THR N N 15 115.917 0.5 . 1 . . . . . 679 THR N . 25649 1 857 . 1 . 1 86 86 ARG H H 1 7.976 0.05 . 1 . . . . . 680 ARG H . 25649 1 858 . 1 . 1 86 86 ARG HA H 1 4.158 0.05 . 1 . . . . . 680 ARG HA . 25649 1 859 . 1 . 1 86 86 ARG HB2 H 1 1.837 0.05 . 2 . . . . . 680 ARG HB2 . 25649 1 860 . 1 . 1 86 86 ARG HG2 H 1 1.581 0.05 . 2 . . . . . 680 ARG HG2 . 25649 1 861 . 1 . 1 86 86 ARG HD2 H 1 3.179 0.05 . 2 . . . . . 680 ARG HD2 . 25649 1 862 . 1 . 1 86 86 ARG CA C 13 57.64 0.5 . 1 . . . . . 680 ARG CA . 25649 1 863 . 1 . 1 86 86 ARG CB C 13 31.376 0.5 . 1 . . . . . 680 ARG CB . 25649 1 864 . 1 . 1 86 86 ARG CG C 13 27.19 0.5 . 1 . . . . . 680 ARG CG . 25649 1 865 . 1 . 1 86 86 ARG CD C 13 43.456 0.5 . 1 . . . . . 680 ARG CD . 25649 1 866 . 1 . 1 86 86 ARG N N 15 127.693 0.5 . 1 . . . . . 680 ARG N . 25649 1 867 . 2 . 2 1 1 THR HA H 1 3.787 0.05 . 1 . . . . . 389 THR HA . 25649 1 868 . 2 . 2 1 1 THR HB H 1 4.112 0.05 . 1 . . . . . 389 THR HB . 25649 1 869 . 2 . 2 1 1 THR HG21 H 1 1.333 0.05 . 1 . . . . . 389 THR HG21 . 25649 1 870 . 2 . 2 1 1 THR HG22 H 1 1.333 0.05 . 1 . . . . . 389 THR HG21 . 25649 1 871 . 2 . 2 1 1 THR HG23 H 1 1.333 0.05 . 1 . . . . . 389 THR HG21 . 25649 1 872 . 2 . 2 2 2 TRP H H 1 8.318 0.05 . 1 . . . . . 390 TRP H . 25649 1 873 . 2 . 2 2 2 TRP HA H 1 4.93 0.05 . 1 . . . . . 390 TRP HA . 25649 1 874 . 2 . 2 2 2 TRP HB2 H 1 3.072 0.05 . 2 . . . . . 390 TRP HB2 . 25649 1 875 . 2 . 2 2 2 TRP HB3 H 1 2.979 0.05 . 2 . . . . . 390 TRP HB3 . 25649 1 876 . 2 . 2 2 2 TRP HD1 H 1 7.252 0.05 . 1 . . . . . 390 TRP HD1 . 25649 1 877 . 2 . 2 2 2 TRP HE1 H 1 10.199 0.05 . 1 . . . . . 390 TRP HE1 . 25649 1 878 . 2 . 2 2 2 TRP HE3 H 1 7.233 0.05 . 1 . . . . . 390 TRP HE3 . 25649 1 879 . 2 . 2 2 2 TRP HZ2 H 1 7.375 0.05 . 1 . . . . . 390 TRP HZ2 . 25649 1 880 . 2 . 2 2 2 TRP HZ3 H 1 6.72 0.05 . 1 . . . . . 390 TRP HZ3 . 25649 1 881 . 2 . 2 2 2 TRP HH2 H 1 7.111 0.05 . 1 . . . . . 390 TRP HH2 . 25649 1 882 . 2 . 2 3 3 ARG H H 1 9.372 0.05 . 1 . . . . . 391 ARG H . 25649 1 883 . 2 . 2 3 3 ARG HA H 1 4.719 0.05 . 1 . . . . . 391 ARG HA . 25649 1 884 . 2 . 2 3 3 ARG HB2 H 1 2.341 0.05 . 2 . . . . . 391 ARG HB2 . 25649 1 885 . 2 . 2 3 3 ARG HB3 H 1 1.818 0.05 . 2 . . . . . 391 ARG HB3 . 25649 1 886 . 2 . 2 3 3 ARG HG2 H 1 1.722 0.05 . 2 . . . . . 391 ARG HG2 . 25649 1 887 . 2 . 2 3 3 ARG HG3 H 1 1.518 0.05 . 2 . . . . . 391 ARG HG3 . 25649 1 888 . 2 . 2 3 3 ARG HD2 H 1 3.173 0.05 . 2 . . . . . 391 ARG HD2 . 25649 1 889 . 2 . 2 3 3 ARG HE H 1 7.107 0.05 . 1 . . . . . 391 ARG HE . 25649 1 890 . 2 . 2 4 4 VAL H H 1 8.802 0.05 . 1 . . . . . 392 VAL H . 25649 1 891 . 2 . 2 4 4 VAL HA H 1 4.571 0.05 . 1 . . . . . 392 VAL HA . 25649 1 892 . 2 . 2 4 4 VAL HB H 1 2.116 0.05 . 1 . . . . . 392 VAL HB . 25649 1 893 . 2 . 2 4 4 VAL HG21 H 1 0.96 0.05 . 2 . . . . . 392 VAL HG21 . 25649 1 894 . 2 . 2 4 4 VAL HG22 H 1 0.96 0.05 . 2 . . . . . 392 VAL HG21 . 25649 1 895 . 2 . 2 4 4 VAL HG23 H 1 0.96 0.05 . 2 . . . . . 392 VAL HG21 . 25649 1 896 . 2 . 2 5 5 GLN H H 1 9.383 0.05 . 1 . . . . . 393 GLN H . 25649 1 897 . 2 . 2 5 5 GLN HA H 1 4.724 0.05 . 1 . . . . . 393 GLN HA . 25649 1 898 . 2 . 2 5 5 GLN HB2 H 1 1.954 0.05 . 2 . . . . . 393 GLN HB2 . 25649 1 899 . 2 . 2 5 5 GLN HB3 H 1 2.15 0.05 . 2 . . . . . 393 GLN HB3 . 25649 1 900 . 2 . 2 5 5 GLN HG2 H 1 2.323 0.05 . 2 . . . . . 393 GLN HG2 . 25649 1 901 . 2 . 2 5 5 GLN HE21 H 1 7.518 0.05 . 2 . . . . . 393 GLN HE21 . 25649 1 902 . 2 . 2 5 5 GLN HE22 H 1 6.934 0.05 . 2 . . . . . 393 GLN HE22 . 25649 1 903 . 2 . 2 6 6 ARG H H 1 8.872 0.05 . 1 . . . . . 394 ARG H . 25649 1 904 . 2 . 2 6 6 ARG HA H 1 4.408 0.05 . 1 . . . . . 394 ARG HA . 25649 1 905 . 2 . 2 6 6 ARG HB2 H 1 1.835 0.05 . 2 . . . . . 394 ARG HB2 . 25649 1 906 . 2 . 2 6 6 ARG HB3 H 1 2.002 0.05 . 2 . . . . . 394 ARG HB3 . 25649 1 907 . 2 . 2 6 6 ARG HG2 H 1 1.757 0.05 . 2 . . . . . 394 ARG HG2 . 25649 1 908 . 2 . 2 6 6 ARG HG3 H 1 1.606 0.05 . 2 . . . . . 394 ARG HG3 . 25649 1 909 . 2 . 2 6 6 ARG HD2 H 1 3.212 0.05 . 2 . . . . . 394 ARG HD2 . 25649 1 910 . 2 . 2 6 6 ARG HE H 1 7.235 0.05 . 1 . . . . . 394 ARG HE . 25649 1 911 . 2 . 2 7 7 SER H H 1 8.663 0.05 . 1 . . . . . 395 SER H . 25649 1 912 . 2 . 2 7 7 SER HA H 1 4.867 0.05 . 1 . . . . . 395 SER HA . 25649 1 913 . 2 . 2 7 7 SER HB2 H 1 4.153 0.05 . 2 . . . . . 395 SER HB2 . 25649 1 914 . 2 . 2 7 7 SER HB3 H 1 3.934 0.05 . 2 . . . . . 395 SER HB3 . 25649 1 915 . 2 . 2 8 8 GLN H H 1 8.669 0.05 . 1 . . . . . 396 GLN H . 25649 1 916 . 2 . 2 8 8 GLN HA H 1 4.225 0.05 . 1 . . . . . 396 GLN HA . 25649 1 917 . 2 . 2 8 8 GLN HB2 H 1 2.2 0.05 . 2 . . . . . 396 GLN HB2 . 25649 1 918 . 2 . 2 8 8 GLN HB3 H 1 2.059 0.05 . 2 . . . . . 396 GLN HB3 . 25649 1 919 . 2 . 2 8 8 GLN HG2 H 1 2.438 0.05 . 2 . . . . . 396 GLN HG2 . 25649 1 920 . 2 . 2 8 8 GLN HE21 H 1 7.577 0.05 . 2 . . . . . 396 GLN HE21 . 25649 1 921 . 2 . 2 8 8 GLN HE22 H 1 6.898 0.05 . 2 . . . . . 396 GLN HE22 . 25649 1 922 . 2 . 2 9 9 ASN H H 1 8.28 0.05 . 1 . . . . . 397 ASN H . 25649 1 923 . 2 . 2 9 9 ASN HA H 1 5.101 0.05 . 1 . . . . . 397 ASN HA . 25649 1 924 . 2 . 2 9 9 ASN HB2 H 1 2.976 0.05 . 2 . . . . . 397 ASN HB2 . 25649 1 925 . 2 . 2 9 9 ASN HB3 H 1 2.814 0.05 . 2 . . . . . 397 ASN HB3 . 25649 1 926 . 2 . 2 9 9 ASN HD21 H 1 7.771 0.05 . 2 . . . . . 397 ASN HD21 . 25649 1 927 . 2 . 2 9 9 ASN HD22 H 1 7.479 0.05 . 2 . . . . . 397 ASN HD22 . 25649 1 928 . 2 . 2 10 10 PRO HA H 1 4.42 0.05 . 1 . . . . . 398 PRO HA . 25649 1 929 . 2 . 2 10 10 PRO HB2 H 1 2.3 0.05 . 2 . . . . . 398 PRO HB2 . 25649 1 930 . 2 . 2 10 10 PRO HB3 H 1 2.398 0.05 . 2 . . . . . 398 PRO HB3 . 25649 1 931 . 2 . 2 10 10 PRO HG2 H 1 2.13 0.05 . 2 . . . . . 398 PRO HG2 . 25649 1 932 . 2 . 2 10 10 PRO HG3 H 1 1.982 0.05 . 2 . . . . . 398 PRO HG3 . 25649 1 933 . 2 . 2 10 10 PRO HD2 H 1 4.029 0.05 . 2 . . . . . 398 PRO HD2 . 25649 1 934 . 2 . 2 10 10 PRO HD3 H 1 3.942 0.05 . 2 . . . . . 398 PRO HD3 . 25649 1 935 . 2 . 2 11 11 LEU H H 1 8.121 0.05 . 1 . . . . . 399 LEU H . 25649 1 936 . 2 . 2 11 11 LEU HA H 1 4.381 0.05 . 1 . . . . . 399 LEU HA . 25649 1 937 . 2 . 2 11 11 LEU HB2 H 1 1.587 0.05 . 2 . . . . . 399 LEU HB2 . 25649 1 938 . 2 . 2 11 11 LEU HD11 H 1 0.855 0.05 . 2 . . . . . 399 LEU HD11 . 25649 1 939 . 2 . 2 11 11 LEU HD12 H 1 0.855 0.05 . 2 . . . . . 399 LEU HD11 . 25649 1 940 . 2 . 2 11 11 LEU HD13 H 1 0.855 0.05 . 2 . . . . . 399 LEU HD11 . 25649 1 941 . 2 . 2 11 11 LEU HD21 H 1 0.579 0.05 . 2 . . . . . 399 LEU HD21 . 25649 1 942 . 2 . 2 11 11 LEU HD22 H 1 0.579 0.05 . 2 . . . . . 399 LEU HD21 . 25649 1 943 . 2 . 2 11 11 LEU HD23 H 1 0.579 0.05 . 2 . . . . . 399 LEU HD21 . 25649 1 944 . 2 . 2 12 12 LYS H H 1 7.695 0.05 . 1 . . . . . 400 LYS H . 25649 1 945 . 2 . 2 12 12 LYS HA H 1 5.547 0.05 . 1 . . . . . 400 LYS HA . 25649 1 946 . 2 . 2 12 12 LYS HB2 H 1 1.764 0.05 . 2 . . . . . 400 LYS HB2 . 25649 1 947 . 2 . 2 12 12 LYS HB3 H 1 1.587 0.05 . 2 . . . . . 400 LYS HB3 . 25649 1 948 . 2 . 2 12 12 LYS HG2 H 1 1.253 0.05 . 2 . . . . . 400 LYS HG2 . 25649 1 949 . 2 . 2 12 12 LYS HG3 H 1 1.2 0.05 . 2 . . . . . 400 LYS HG3 . 25649 1 950 . 2 . 2 12 12 LYS HD2 H 1 1.604 0.05 . 2 . . . . . 400 LYS HD2 . 25649 1 951 . 2 . 2 12 12 LYS HE2 H 1 2.877 0.05 . 2 . . . . . 400 LYS HE2 . 25649 1 952 . 2 . 2 13 13 ILE H H 1 8.629 0.05 . 1 . . . . . 401 ILE H . 25649 1 953 . 2 . 2 13 13 ILE HA H 1 4.865 0.05 . 1 . . . . . 401 ILE HA . 25649 1 954 . 2 . 2 13 13 ILE HB H 1 1.852 0.05 . 1 . . . . . 401 ILE HB . 25649 1 955 . 2 . 2 13 13 ILE HG21 H 1 0.945 0.05 . 1 . . . . . 401 ILE HG21 . 25649 1 956 . 2 . 2 13 13 ILE HG22 H 1 0.945 0.05 . 1 . . . . . 401 ILE HG21 . 25649 1 957 . 2 . 2 13 13 ILE HG23 H 1 0.945 0.05 . 1 . . . . . 401 ILE HG21 . 25649 1 958 . 2 . 2 13 13 ILE HD11 H 1 0.885 0.05 . 1 . . . . . 401 ILE HD11 . 25649 1 959 . 2 . 2 13 13 ILE HD12 H 1 0.885 0.05 . 1 . . . . . 401 ILE HD11 . 25649 1 960 . 2 . 2 13 13 ILE HD13 H 1 0.885 0.05 . 1 . . . . . 401 ILE HD11 . 25649 1 961 . 2 . 2 14 14 ARG H H 1 8.707 0.05 . 1 . . . . . 402 ARG H . 25649 1 962 . 2 . 2 14 14 ARG HA H 1 5.265 0.05 . 1 . . . . . 402 ARG HA . 25649 1 963 . 2 . 2 14 14 ARG HB2 H 1 1.698 0.05 . 2 . . . . . 402 ARG HB2 . 25649 1 964 . 2 . 2 14 14 ARG HG2 H 1 1.42 0.05 . 2 . . . . . 402 ARG HG2 . 25649 1 965 . 2 . 2 14 14 ARG HG3 H 1 1.555 0.05 . 2 . . . . . 402 ARG HG3 . 25649 1 966 . 2 . 2 14 14 ARG HD2 H 1 3.15 0.05 . 2 . . . . . 402 ARG HD2 . 25649 1 967 . 2 . 2 14 14 ARG HE H 1 7.406 0.05 . 1 . . . . . 402 ARG HE . 25649 1 968 . 2 . 2 15 15 LEU H H 1 9.134 0.05 . 1 . . . . . 403 LEU H . 25649 1 969 . 2 . 2 15 15 LEU HA H 1 5.597 0.05 . 1 . . . . . 403 LEU HA . 25649 1 970 . 2 . 2 15 15 LEU HB2 H 1 1.508 0.05 . 2 . . . . . 403 LEU HB2 . 25649 1 971 . 2 . 2 15 15 LEU HB3 H 1 1.45 0.05 . 2 . . . . . 403 LEU HB3 . 25649 1 972 . 2 . 2 15 15 LEU HD11 H 1 0.62 0.05 . 2 . . . . . 403 LEU HD11 . 25649 1 973 . 2 . 2 15 15 LEU HD12 H 1 0.62 0.05 . 2 . . . . . 403 LEU HD11 . 25649 1 974 . 2 . 2 15 15 LEU HD13 H 1 0.62 0.05 . 2 . . . . . 403 LEU HD11 . 25649 1 975 . 2 . 2 15 15 LEU HD21 H 1 0.519 0.05 . 2 . . . . . 403 LEU HD21 . 25649 1 976 . 2 . 2 15 15 LEU HD22 H 1 0.519 0.05 . 2 . . . . . 403 LEU HD21 . 25649 1 977 . 2 . 2 15 15 LEU HD23 H 1 0.519 0.05 . 2 . . . . . 403 LEU HD21 . 25649 1 978 . 2 . 2 16 16 THR H H 1 9.034 0.05 . 1 . . . . . 404 THR H . 25649 1 979 . 2 . 2 16 16 THR HA H 1 5.561 0.05 . 1 . . . . . 404 THR HA . 25649 1 980 . 2 . 2 16 16 THR HB H 1 4.312 0.05 . 1 . . . . . 404 THR HB . 25649 1 981 . 2 . 2 16 16 THR HG21 H 1 1.187 0.05 . 1 . . . . . 404 THR HG21 . 25649 1 982 . 2 . 2 16 16 THR HG22 H 1 1.187 0.05 . 1 . . . . . 404 THR HG21 . 25649 1 983 . 2 . 2 16 16 THR HG23 H 1 1.187 0.05 . 1 . . . . . 404 THR HG21 . 25649 1 984 . 2 . 2 17 17 ARG H H 1 7.936 0.05 . 1 . . . . . 405 ARG H . 25649 1 985 . 2 . 2 17 17 ARG HA H 1 4.244 0.05 . 1 . . . . . 405 ARG HA . 25649 1 986 . 2 . 2 17 17 ARG HB2 H 1 0.968 0.05 . 2 . . . . . 405 ARG HB2 . 25649 1 987 . 2 . 2 17 17 ARG HB3 H 1 0.713 0.05 . 2 . . . . . 405 ARG HB3 . 25649 1 988 . 2 . 2 17 17 ARG HG2 H 1 2.338 0.05 . 2 . . . . . 405 ARG HG2 . 25649 1 989 . 2 . 2 17 17 ARG HG3 H 1 1.976 0.05 . 2 . . . . . 405 ARG HG3 . 25649 1 990 . 2 . 2 17 17 ARG HD2 H 1 3.85 0.05 . 2 . . . . . 405 ARG HD2 . 25649 1 991 . 2 . 2 17 17 ARG HE H 1 7.539 0.05 . 1 . . . . . 405 ARG HE . 25649 1 stop_ save_