data_7185 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7185 _Entry.Title ; An ARC/MEDIATOR subunit required for SREBP gene activation and regulation of cholesterol and fatty acid homeostasis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-21 _Entry.Accession_date 2006-07-14 _Entry.Last_release_date 2006-10-11 _Entry.Original_release_date 2006-10-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Wagner . . . 7185 2 B. Vought . W. . 7185 3 Y.J. Sun . Z. . 7185 4 S. Hyberts . G. . 7185 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7185 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 7185 '15N chemical shifts' 75 7185 '1H chemical shifts' 388 7185 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-10-11 2006-06-21 original author . 7185 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GUT 'BMRB Entry Tracking System' 7185 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7185 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16799563 _Citation.Full_citation . _Citation.Title 'An ARC/Mediator subunit required for SREBP control of cholesterol and lipid homeostasis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 442 _Citation.Journal_issue 7103 _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 700 _Citation.Page_last 704 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Yang . . . 7185 1 2 B. Vought . W. . 7185 1 3 J. Satterlee . S. . 7185 1 4 A. Walker . K. . 7185 1 5 Z. Jim_Sun . Y. . 7185 1 6 J. Watts . L. . 7185 1 7 R. DeBeaumont . . . 7185 1 8 R. Saito . M. . 7185 1 9 S. Hyberts . G. . 7185 1 10 S. Yang . . . 7185 1 11 C. Macol . . . 7185 1 12 L. Iyer . . . 7185 1 13 R. Tjian . . . 7185 1 14 S. 'van den Heuvel' . . . 7185 1 15 A. Hart . C. . 7185 1 16 G. Wagner . . . 7185 1 17 A. Naar . M. . 7185 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '3 HELICAL BUNDLE' 7185 1 KIX 7185 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7185 _Assembly.ID 1 _Assembly.Name 'Positive cofactor 2 glutamine/Q-rich-associated protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7185 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Positive cofactor 2 glutamine/Q-rich-associated protein' 1 $ARC-MEDIATOR . . . native . . . . . 7185 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2GUT . . . . . . 7185 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Positive cofactor 2 glutamine/Q-rich-associated protein' abbreviation 7185 1 'Positive cofactor 2 glutamine/Q-rich-associated protein' system 7185 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARC-MEDIATOR _Entity.Sf_category entity _Entity.Sf_framecode ARC-MEDIATOR _Entity.Entry_ID 7185 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Positive cofactor 2 glutamine/Q-rich-associated protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGQETDWRSTAFRQKLVS QIEDAMRKAGVAHSKSSKDM ESHVFLKAKTRDEYLSLVAR LIIHFRDIHNKKSQASV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GUT . "Solution Structure Of The Trans-Activation Domain Of The Human Co-Activator Arc105" . . . . . 100.00 77 100.00 100.00 1.31e-47 . . . . 7185 1 2 no DBJ BAC03446 . "FLJ00386 protein [Homo sapiens]" . . . . . 96.10 811 100.00 100.00 2.25e-39 . . . . 7185 1 3 no DBJ BAD21436 . "mFLJ00386 protein [Mus musculus]" . . . . . 96.10 769 98.65 98.65 1.37e-38 . . . . 7185 1 4 no DBJ BAE38826 . "unnamed protein product [Mus musculus]" . . . . . 71.43 639 100.00 100.00 4.03e-25 . . . . 7185 1 5 no DBJ BAE41448 . "unnamed protein product [Mus musculus]" . . . . . 96.10 766 98.65 98.65 7.75e-39 . . . . 7185 1 6 no DBJ BAG57747 . "unnamed protein product [Homo sapiens]" . . . . . 67.53 718 100.00 100.00 1.95e-24 . . . . 7185 1 7 no EMBL CAG30423 . "PCQAP [Homo sapiens]" . . . . . 96.10 674 100.00 100.00 9.09e-39 . . . . 7185 1 8 no EMBL CAK54568 . "PCQAP [synthetic construct]" . . . . . 96.10 674 100.00 100.00 9.09e-39 . . . . 7185 1 9 no EMBL CAK54867 . "PCQAP [synthetic construct]" . . . . . 96.10 674 100.00 100.00 9.09e-39 . . . . 7185 1 10 no GB AAC12944 . "TPA inducible protein [Homo sapiens]" . . . . . 67.53 579 100.00 100.00 6.42e-23 . . . . 7185 1 11 no GB AAH03078 . "MED15 protein, partial [Homo sapiens]" . . . . . 71.43 767 100.00 100.00 6.33e-26 . . . . 7185 1 12 no GB AAH13985 . "Mediator complex subunit 15 [Homo sapiens]" . . . . . 96.10 748 100.00 100.00 1.86e-39 . . . . 7185 1 13 no GB AAH54779 . "Mediator complex subunit 15 [Mus musculus]" . . . . . 96.10 749 98.65 98.65 1.50e-38 . . . . 7185 1 14 no GB AAI42513 . "MED15 protein [Bos taurus]" . . . . . 96.10 711 97.30 97.30 4.95e-40 . . . . 7185 1 15 no REF NP_001003891 . "mediator of RNA polymerase II transcription subunit 15 isoform a [Homo sapiens]" . . . . . 96.10 788 100.00 100.00 1.91e-39 . . . . 7185 1 16 no REF NP_001035773 . "mediator of RNA polymerase II transcription subunit 15 isoform b [Mus musculus]" . . . . . 96.10 749 98.65 98.65 1.20e-38 . . . . 7185 1 17 no REF NP_001092645 . "mediator of RNA polymerase II transcription subunit 15 [Bos taurus]" . . . . . 96.10 711 97.30 97.30 4.95e-40 . . . . 7185 1 18 no REF NP_001101795 . "mediator of RNA polymerase II transcription subunit 15 [Rattus norvegicus]" . . . . . 96.10 790 98.65 98.65 1.12e-38 . . . . 7185 1 19 no REF NP_001267180 . "mediator of RNA polymerase II transcription subunit 15 [Pan troglodytes]" . . . . . 96.10 768 100.00 100.00 2.54e-39 . . . . 7185 1 20 no SP Q924H2 . "RecName: Full=Mediator of RNA polymerase II transcription subunit 15; AltName: Full=Mediator complex subunit 15; AltName: Full=" . . . . . 96.10 792 97.30 97.30 1.06e-37 . . . . 7185 1 21 no SP Q96RN5 . "RecName: Full=Mediator of RNA polymerase II transcription subunit 15; AltName: Full=Activator-recruited cofactor 105 kDa compon" . . . . . 96.10 788 100.00 100.00 1.91e-39 . . . . 7185 1 22 no TPG DAA20413 . "TPA: mediator complex subunit 15 [Bos taurus]" . . . . . 96.10 711 97.30 97.30 4.95e-40 . . . . 7185 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Positive cofactor 2 glutamine/Q-rich-associated protein' abbreviation 7185 1 'Positive cofactor 2 glutamine/Q-rich-associated protein' common 7185 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 1 GLY . 7185 1 2 2 ALA . 7185 1 3 3 MET . 7185 1 4 4 GLY . 7185 1 5 5 GLN . 7185 1 6 6 GLU . 7185 1 7 7 THR . 7185 1 8 8 ASP . 7185 1 9 9 TRP . 7185 1 10 10 ARG . 7185 1 11 11 SER . 7185 1 12 12 THR . 7185 1 13 13 ALA . 7185 1 14 14 PHE . 7185 1 15 15 ARG . 7185 1 16 16 GLN . 7185 1 17 17 LYS . 7185 1 18 18 LEU . 7185 1 19 19 VAL . 7185 1 20 20 SER . 7185 1 21 21 GLN . 7185 1 22 22 ILE . 7185 1 23 23 GLU . 7185 1 24 24 ASP . 7185 1 25 25 ALA . 7185 1 26 26 MET . 7185 1 27 27 ARG . 7185 1 28 28 LYS . 7185 1 29 29 ALA . 7185 1 30 30 GLY . 7185 1 31 31 VAL . 7185 1 32 32 ALA . 7185 1 33 33 HIS . 7185 1 34 34 SER . 7185 1 35 35 LYS . 7185 1 36 36 SER . 7185 1 37 37 SER . 7185 1 38 38 LYS . 7185 1 39 39 ASP . 7185 1 40 40 MET . 7185 1 41 41 GLU . 7185 1 42 42 SER . 7185 1 43 43 HIS . 7185 1 44 44 VAL . 7185 1 45 45 PHE . 7185 1 46 46 LEU . 7185 1 47 47 LYS . 7185 1 48 48 ALA . 7185 1 49 49 LYS . 7185 1 50 50 THR . 7185 1 51 51 ARG . 7185 1 52 52 ASP . 7185 1 53 53 GLU . 7185 1 54 54 TYR . 7185 1 55 55 LEU . 7185 1 56 56 SER . 7185 1 57 57 LEU . 7185 1 58 58 VAL . 7185 1 59 59 ALA . 7185 1 60 60 ARG . 7185 1 61 61 LEU . 7185 1 62 62 ILE . 7185 1 63 63 ILE . 7185 1 64 64 HIS . 7185 1 65 65 PHE . 7185 1 66 66 ARG . 7185 1 67 67 ASP . 7185 1 68 68 ILE . 7185 1 69 69 HIS . 7185 1 70 70 ASN . 7185 1 71 71 LYS . 7185 1 72 72 LYS . 7185 1 73 73 SER . 7185 1 74 74 GLN . 7185 1 75 75 ALA . 7185 1 76 76 SER . 7185 1 77 77 VAL . 7185 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 7185 1 . ALA 2 2 7185 1 . MET 3 3 7185 1 . GLY 4 4 7185 1 . GLN 5 5 7185 1 . GLU 6 6 7185 1 . THR 7 7 7185 1 . ASP 8 8 7185 1 . TRP 9 9 7185 1 . ARG 10 10 7185 1 . SER 11 11 7185 1 . THR 12 12 7185 1 . ALA 13 13 7185 1 . PHE 14 14 7185 1 . ARG 15 15 7185 1 . GLN 16 16 7185 1 . LYS 17 17 7185 1 . LEU 18 18 7185 1 . VAL 19 19 7185 1 . SER 20 20 7185 1 . GLN 21 21 7185 1 . ILE 22 22 7185 1 . GLU 23 23 7185 1 . ASP 24 24 7185 1 . ALA 25 25 7185 1 . MET 26 26 7185 1 . ARG 27 27 7185 1 . LYS 28 28 7185 1 . ALA 29 29 7185 1 . GLY 30 30 7185 1 . VAL 31 31 7185 1 . ALA 32 32 7185 1 . HIS 33 33 7185 1 . SER 34 34 7185 1 . LYS 35 35 7185 1 . SER 36 36 7185 1 . SER 37 37 7185 1 . LYS 38 38 7185 1 . ASP 39 39 7185 1 . MET 40 40 7185 1 . GLU 41 41 7185 1 . SER 42 42 7185 1 . HIS 43 43 7185 1 . VAL 44 44 7185 1 . PHE 45 45 7185 1 . LEU 46 46 7185 1 . LYS 47 47 7185 1 . ALA 48 48 7185 1 . LYS 49 49 7185 1 . THR 50 50 7185 1 . ARG 51 51 7185 1 . ASP 52 52 7185 1 . GLU 53 53 7185 1 . TYR 54 54 7185 1 . LEU 55 55 7185 1 . SER 56 56 7185 1 . LEU 57 57 7185 1 . VAL 58 58 7185 1 . ALA 59 59 7185 1 . ARG 60 60 7185 1 . LEU 61 61 7185 1 . ILE 62 62 7185 1 . ILE 63 63 7185 1 . HIS 64 64 7185 1 . PHE 65 65 7185 1 . ARG 66 66 7185 1 . ASP 67 67 7185 1 . ILE 68 68 7185 1 . HIS 69 69 7185 1 . ASN 70 70 7185 1 . LYS 71 71 7185 1 . LYS 72 72 7185 1 . SER 73 73 7185 1 . GLN 74 74 7185 1 . ALA 75 75 7185 1 . SER 76 76 7185 1 . VAL 77 77 7185 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7185 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ARC-MEDIATOR . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7185 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 7185 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ARC-MEDIATOR . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7185 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7185 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Positive cofactor 2 glutamine/Q-rich-associated protein' '[U-15N; U-13C]' . . 1 $ARC-MEDIATOR . . 1 . . mM . . . . 7185 1 2 NaCl . . . . . . . 30 . . mM . . . . 7185 1 3 'phosphate buffer' . . . . . . . 10 . . mM . . . . 7185 1 4 H2O . . . . . . . 90 . . % . . . . 7185 1 5 D2O . . . . . . . 10 . . % . . . . 7185 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7185 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 30 . mM 7185 1 pH 6.8 . pH 7185 1 pressure 1 . atm 7185 1 temperature 298 . K 7185 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 7185 _Software.ID 1 _Software.Name PROSA _Software.Version 3.7 _Software.Details GUNTERT loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7185 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 7185 _Software.ID 2 _Software.Name CARA _Software.Version 1.5 _Software.Details KELLER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7185 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7185 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details GUNTERT loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7185 3 'structure solution' 7185 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7185 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7185 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 500 . . . 7185 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 7185 _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 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 2 HNCOCA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 4 HNCOCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 6 HNCACO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 7 HN(COCA)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 8 N15noesy . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 9 tocsy . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 10 CCONH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 11 HCCONH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 12 aliphatic . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 13 aromatic-C13noesy . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 14 HCCHTOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7185 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7185 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7185 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7185 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7185 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7185 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7185 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET HA H 1 4.500 0.000 . 1 . . . . . . . . 7185 1 2 . 1 1 3 3 MET HB2 H 1 2.120 0.000 . 2 . . . . . . . . 7185 1 3 . 1 1 3 3 MET HB3 H 1 2.050 0.000 . 2 . . . . . . . . 7185 1 4 . 1 1 3 3 MET HG2 H 1 2.640 0.000 . 2 . . . . . . . . 7185 1 5 . 1 1 3 3 MET HG3 H 1 2.570 0.000 . 2 . . . . . . . . 7185 1 6 . 1 1 3 3 MET CA C 13 55.520 0.000 . 1 . . . . . . . . 7185 1 7 . 1 1 3 3 MET CB C 13 32.830 0.000 . 1 . . . . . . . . 7185 1 8 . 1 1 3 3 MET CG C 13 32.140 0.000 . 1 . . . . . . . . 7185 1 9 . 1 1 3 3 MET N N 15 115.030 0.000 . 1 . . . . . . . . 7185 1 10 . 1 1 4 4 GLY CA C 13 45.410 0.000 . 1 . . . . . . . . 7185 1 11 . 1 1 4 4 GLY N N 15 115.030 0.000 . 1 . . . . . . . . 7185 1 12 . 1 1 5 5 GLN HA H 1 4.380 0.000 . 1 . . . . . . . . 7185 1 13 . 1 1 5 5 GLN HB2 H 1 2.160 0.000 . 2 . . . . . . . . 7185 1 14 . 1 1 5 5 GLN HB3 H 1 2.000 0.000 . 2 . . . . . . . . 7185 1 15 . 1 1 5 5 GLN HG2 H 1 2.370 0.000 . 1 . . . . . . . . 7185 1 16 . 1 1 5 5 GLN CA C 13 55.850 0.000 . 1 . . . . . . . . 7185 1 17 . 1 1 5 5 GLN CB C 13 29.400 0.000 . 1 . . . . . . . . 7185 1 18 . 1 1 5 5 GLN CG C 13 33.770 0.000 . 1 . . . . . . . . 7185 1 19 . 1 1 5 5 GLN N N 15 109.810 0.000 . 1 . . . . . . . . 7185 1 20 . 1 1 6 6 GLU HA H 1 4.360 0.000 . 1 . . . . . . . . 7185 1 21 . 1 1 6 6 GLU HB2 H 1 2.110 0.000 . 2 . . . . . . . . 7185 1 22 . 1 1 6 6 GLU HB3 H 1 2.030 0.000 . 2 . . . . . . . . 7185 1 23 . 1 1 6 6 GLU HG2 H 1 2.320 0.000 . 1 . . . . . . . . 7185 1 24 . 1 1 6 6 GLU CA C 13 57.060 0.000 . 1 . . . . . . . . 7185 1 25 . 1 1 6 6 GLU CB C 13 30.030 0.000 . 1 . . . . . . . . 7185 1 26 . 1 1 6 6 GLU CG C 13 36.410 0.000 . 1 . . . . . . . . 7185 1 27 . 1 1 6 6 GLU N N 15 119.870 0.000 . 1 . . . . . . . . 7185 1 28 . 1 1 7 7 THR HA H 1 4.320 0.000 . 1 . . . . . . . . 7185 1 29 . 1 1 7 7 THR HB H 1 4.240 0.000 . 1 . . . . . . . . 7185 1 30 . 1 1 7 7 THR HG21 H 1 1.230 0.000 . 1 . . . . . . . . 7185 1 31 . 1 1 7 7 THR HG22 H 1 1.230 0.000 . 1 . . . . . . . . 7185 1 32 . 1 1 7 7 THR HG23 H 1 1.230 0.000 . 1 . . . . . . . . 7185 1 33 . 1 1 7 7 THR CA C 13 61.830 0.000 . 1 . . . . . . . . 7185 1 34 . 1 1 7 7 THR CB C 13 69.460 0.000 . 1 . . . . . . . . 7185 1 35 . 1 1 7 7 THR CG2 C 13 21.770 0.000 . 1 . . . . . . . . 7185 1 36 . 1 1 7 7 THR N N 15 113.640 0.000 . 1 . . . . . . . . 7185 1 37 . 1 1 8 8 ASP HA H 1 4.520 0.000 . 1 . . . . . . . . 7185 1 38 . 1 1 8 8 ASP HB2 H 1 2.770 0.000 . 2 . . . . . . . . 7185 1 39 . 1 1 8 8 ASP HB3 H 1 2.680 0.000 . 2 . . . . . . . . 7185 1 40 . 1 1 8 8 ASP CA C 13 54.700 0.000 . 1 . . . . . . . . 7185 1 41 . 1 1 8 8 ASP CB C 13 40.740 0.000 . 1 . . . . . . . . 7185 1 42 . 1 1 8 8 ASP N N 15 124.760 0.000 . 1 . . . . . . . . 7185 1 43 . 1 1 9 9 TRP HA H 1 3.400 0.000 . 1 . . . . . . . . 7185 1 44 . 1 1 9 9 TRP HB2 H 1 2.400 0.000 . 2 . . . . . . . . 7185 1 45 . 1 1 9 9 TRP HB3 H 1 3.220 0.000 . 2 . . . . . . . . 7185 1 46 . 1 1 9 9 TRP HD1 H 1 7.400 0.000 . 1 . . . . . . . . 7185 1 47 . 1 1 9 9 TRP HE3 H 1 7.160 0.000 . 1 . . . . . . . . 7185 1 48 . 1 1 9 9 TRP HZ2 H 1 7.080 0.000 . 1 . . . . . . . . 7185 1 49 . 1 1 9 9 TRP HZ3 H 1 6.410 0.000 . 1 . . . . . . . . 7185 1 50 . 1 1 9 9 TRP HH2 H 1 6.550 0.000 . 1 . . . . . . . . 7185 1 51 . 1 1 9 9 TRP CA C 13 57.120 0.000 . 1 . . . . . . . . 7185 1 52 . 1 1 9 9 TRP CB C 13 27.680 0.000 . 1 . . . . . . . . 7185 1 53 . 1 1 9 9 TRP CD1 C 13 126.090 0.000 . 1 . . . . . . . . 7185 1 54 . 1 1 9 9 TRP CE3 C 13 121.280 0.000 . 1 . . . . . . . . 7185 1 55 . 1 1 9 9 TRP CZ2 C 13 112.590 0.000 . 1 . . . . . . . . 7185 1 56 . 1 1 9 9 TRP CZ3 C 13 123.000 0.000 . 1 . . . . . . . . 7185 1 57 . 1 1 9 9 TRP CH2 C 13 124.320 0.000 . 1 . . . . . . . . 7185 1 58 . 1 1 9 9 TRP N N 15 125.510 0.000 . 1 . . . . . . . . 7185 1 59 . 1 1 10 10 ARG HA H 1 3.870 0.000 . 1 . . . . . . . . 7185 1 60 . 1 1 10 10 ARG HB2 H 1 1.650 0.000 . 2 . . . . . . . . 7185 1 61 . 1 1 10 10 ARG HB3 H 1 1.210 0.000 . 2 . . . . . . . . 7185 1 62 . 1 1 10 10 ARG HG2 H 1 -0.230 0.000 . 2 . . . . . . . . 7185 1 63 . 1 1 10 10 ARG HG3 H 1 -0.300 0.000 . 2 . . . . . . . . 7185 1 64 . 1 1 10 10 ARG HD2 H 1 2.560 0.000 . 1 . . . . . . . . 7185 1 65 . 1 1 10 10 ARG CA C 13 54.730 0.000 . 1 . . . . . . . . 7185 1 66 . 1 1 10 10 ARG CB C 13 29.060 0.000 . 1 . . . . . . . . 7185 1 67 . 1 1 10 10 ARG CG C 13 25.730 0.000 . 1 . . . . . . . . 7185 1 68 . 1 1 10 10 ARG CD C 13 42.670 0.000 . 1 . . . . . . . . 7185 1 69 . 1 1 10 10 ARG N N 15 112.150 0.000 . 1 . . . . . . . . 7185 1 70 . 1 1 11 11 SER HA H 1 4.310 0.000 . 1 . . . . . . . . 7185 1 71 . 1 1 11 11 SER HB2 H 1 4.250 0.000 . 2 . . . . . . . . 7185 1 72 . 1 1 11 11 SER HB3 H 1 4.070 0.000 . 2 . . . . . . . . 7185 1 73 . 1 1 11 11 SER CA C 13 57.550 0.000 . 1 . . . . . . . . 7185 1 74 . 1 1 11 11 SER CB C 13 65.080 0.000 . 1 . . . . . . . . 7185 1 75 . 1 1 11 11 SER N N 15 115.590 0.000 . 1 . . . . . . . . 7185 1 76 . 1 1 12 12 THR HA H 1 3.730 0.000 . 1 . . . . . . . . 7185 1 77 . 1 1 12 12 THR HB H 1 4.080 0.000 . 1 . . . . . . . . 7185 1 78 . 1 1 12 12 THR HG21 H 1 1.200 0.000 . 1 . . . . . . . . 7185 1 79 . 1 1 12 12 THR HG22 H 1 1.200 0.000 . 1 . . . . . . . . 7185 1 80 . 1 1 12 12 THR HG23 H 1 1.200 0.000 . 1 . . . . . . . . 7185 1 81 . 1 1 12 12 THR CA C 13 66.170 0.000 . 1 . . . . . . . . 7185 1 82 . 1 1 12 12 THR CB C 13 68.380 0.000 . 1 . . . . . . . . 7185 1 83 . 1 1 12 12 THR CG2 C 13 22.020 0.000 . 1 . . . . . . . . 7185 1 84 . 1 1 12 12 THR N N 15 119.010 0.000 . 1 . . . . . . . . 7185 1 85 . 1 1 13 13 ALA HA H 1 4.090 0.000 . 1 . . . . . . . . 7185 1 86 . 1 1 13 13 ALA HB1 H 1 1.430 0.000 . 1 . . . . . . . . 7185 1 87 . 1 1 13 13 ALA HB2 H 1 1.430 0.000 . 1 . . . . . . . . 7185 1 88 . 1 1 13 13 ALA HB3 H 1 1.430 0.000 . 1 . . . . . . . . 7185 1 89 . 1 1 13 13 ALA CA C 13 54.970 0.000 . 1 . . . . . . . . 7185 1 90 . 1 1 13 13 ALA CB C 13 18.340 0.000 . 1 . . . . . . . . 7185 1 91 . 1 1 13 13 ALA N N 15 119.010 0.000 . 1 . . . . . . . . 7185 1 92 . 1 1 14 14 PHE HA H 1 4.130 0.000 . 1 . . . . . . . . 7185 1 93 . 1 1 14 14 PHE HB2 H 1 3.350 0.000 . 2 . . . . . . . . 7185 1 94 . 1 1 14 14 PHE HB3 H 1 2.990 0.000 . 2 . . . . . . . . 7185 1 95 . 1 1 14 14 PHE HD1 H 1 7.500 0.000 . 1 . . . . . . . . 7185 1 96 . 1 1 14 14 PHE HE1 H 1 7.580 0.000 . 1 . . . . . . . . 7185 1 97 . 1 1 14 14 PHE HZ H 1 7.420 0.000 . 1 . . . . . . . . 7185 1 98 . 1 1 14 14 PHE CA C 13 61.260 0.000 . 1 . . . . . . . . 7185 1 99 . 1 1 14 14 PHE CB C 13 40.310 0.000 . 1 . . . . . . . . 7185 1 100 . 1 1 14 14 PHE CD1 C 13 133.360 0.000 . 1 . . . . . . . . 7185 1 101 . 1 1 14 14 PHE CE1 C 13 131.140 0.000 . 1 . . . . . . . . 7185 1 102 . 1 1 14 14 PHE CZ C 13 129.220 0.000 . 1 . . . . . . . . 7185 1 103 . 1 1 14 14 PHE N N 15 119.540 0.000 . 1 . . . . . . . . 7185 1 104 . 1 1 15 15 ARG HA H 1 4.330 0.000 . 1 . . . . . . . . 7185 1 105 . 1 1 15 15 ARG HB2 H 1 2.000 0.000 . 2 . . . . . . . . 7185 1 106 . 1 1 15 15 ARG HB3 H 1 1.430 0.000 . 2 . . . . . . . . 7185 1 107 . 1 1 15 15 ARG HG2 H 1 2.000 0.000 . 2 . . . . . . . . 7185 1 108 . 1 1 15 15 ARG HG3 H 1 1.790 0.000 . 2 . . . . . . . . 7185 1 109 . 1 1 15 15 ARG CA C 13 59.340 0.000 . 1 . . . . . . . . 7185 1 110 . 1 1 15 15 ARG CB C 13 31.590 0.000 . 1 . . . . . . . . 7185 1 111 . 1 1 15 15 ARG CG C 13 25.320 0.000 . 1 . . . . . . . . 7185 1 112 . 1 1 15 15 ARG CD C 13 43.880 0.000 . 1 . . . . . . . . 7185 1 113 . 1 1 15 15 ARG N N 15 118.030 0.000 . 1 . . . . . . . . 7185 1 114 . 1 1 16 16 GLN HA H 1 3.890 0.000 . 1 . . . . . . . . 7185 1 115 . 1 1 16 16 GLN HB2 H 1 2.180 0.000 . 2 . . . . . . . . 7185 1 116 . 1 1 16 16 GLN HB3 H 1 2.030 0.000 . 2 . . . . . . . . 7185 1 117 . 1 1 16 16 GLN HG2 H 1 2.440 0.000 . 1 . . . . . . . . 7185 1 118 . 1 1 16 16 GLN CA C 13 58.530 0.000 . 1 . . . . . . . . 7185 1 119 . 1 1 16 16 GLN CB C 13 27.910 0.000 . 1 . . . . . . . . 7185 1 120 . 1 1 16 16 GLN CG C 13 33.930 0.000 . 1 . . . . . . . . 7185 1 121 . 1 1 16 16 GLN N N 15 118.030 0.000 . 1 . . . . . . . . 7185 1 122 . 1 1 17 17 LYS HA H 1 4.090 0.000 . 1 . . . . . . . . 7185 1 123 . 1 1 17 17 LYS HB2 H 1 1.880 0.000 . 2 . . . . . . . . 7185 1 124 . 1 1 17 17 LYS HB3 H 1 1.830 0.000 . 2 . . . . . . . . 7185 1 125 . 1 1 17 17 LYS HG2 H 1 1.580 0.000 . 2 . . . . . . . . 7185 1 126 . 1 1 17 17 LYS HG3 H 1 1.380 0.000 . 2 . . . . . . . . 7185 1 127 . 1 1 17 17 LYS HD2 H 1 1.650 0.000 . 1 . . . . . . . . 7185 1 128 . 1 1 17 17 LYS HE2 H 1 2.910 0.000 . 1 . . . . . . . . 7185 1 129 . 1 1 17 17 LYS CA C 13 59.040 0.000 . 1 . . . . . . . . 7185 1 130 . 1 1 17 17 LYS CB C 13 31.530 0.000 . 1 . . . . . . . . 7185 1 131 . 1 1 17 17 LYS CG C 13 25.160 0.000 . 1 . . . . . . . . 7185 1 132 . 1 1 17 17 LYS CD C 13 29.000 0.000 . 1 . . . . . . . . 7185 1 133 . 1 1 17 17 LYS CE C 13 41.850 0.000 . 1 . . . . . . . . 7185 1 134 . 1 1 17 17 LYS N N 15 119.030 0.000 . 1 . . . . . . . . 7185 1 135 . 1 1 18 18 LEU HA H 1 4.200 0.000 . 1 . . . . . . . . 7185 1 136 . 1 1 18 18 LEU HB2 H 1 2.430 0.000 . 2 . . . . . . . . 7185 1 137 . 1 1 18 18 LEU HB3 H 1 1.530 0.000 . 2 . . . . . . . . 7185 1 138 . 1 1 18 18 LEU HG H 1 1.820 0.000 . 1 . . . . . . . . 7185 1 139 . 1 1 18 18 LEU HD11 H 1 0.890 0.000 . 2 . . . . . . . . 7185 1 140 . 1 1 18 18 LEU HD12 H 1 0.890 0.000 . 2 . . . . . . . . 7185 1 141 . 1 1 18 18 LEU HD13 H 1 0.890 0.000 . 2 . . . . . . . . 7185 1 142 . 1 1 18 18 LEU HD21 H 1 0.770 0.000 . 2 . . . . . . . . 7185 1 143 . 1 1 18 18 LEU HD22 H 1 0.770 0.000 . 2 . . . . . . . . 7185 1 144 . 1 1 18 18 LEU HD23 H 1 0.770 0.000 . 2 . . . . . . . . 7185 1 145 . 1 1 18 18 LEU CA C 13 56.860 0.000 . 1 . . . . . . . . 7185 1 146 . 1 1 18 18 LEU CB C 13 39.060 0.000 . 1 . . . . . . . . 7185 1 147 . 1 1 18 18 LEU CG C 13 27.940 0.000 . 1 . . . . . . . . 7185 1 148 . 1 1 18 18 LEU CD1 C 13 24.640 0.000 . 1 . . . . . . . . 7185 1 149 . 1 1 18 18 LEU CD2 C 13 24.500 0.000 . 1 . . . . . . . . 7185 1 150 . 1 1 18 18 LEU N N 15 122.120 0.000 . 1 . . . . . . . . 7185 1 151 . 1 1 19 19 VAL HA H 1 3.370 0.000 . 1 . . . . . . . . 7185 1 152 . 1 1 19 19 VAL HB H 1 2.200 0.000 . 1 . . . . . . . . 7185 1 153 . 1 1 19 19 VAL HG11 H 1 0.840 0.000 . 2 . . . . . . . . 7185 1 154 . 1 1 19 19 VAL HG12 H 1 0.840 0.000 . 2 . . . . . . . . 7185 1 155 . 1 1 19 19 VAL HG13 H 1 0.840 0.000 . 2 . . . . . . . . 7185 1 156 . 1 1 19 19 VAL HG21 H 1 1.040 0.000 . 2 . . . . . . . . 7185 1 157 . 1 1 19 19 VAL HG22 H 1 1.040 0.000 . 2 . . . . . . . . 7185 1 158 . 1 1 19 19 VAL HG23 H 1 1.040 0.000 . 2 . . . . . . . . 7185 1 159 . 1 1 19 19 VAL CA C 13 67.920 0.000 . 1 . . . . . . . . 7185 1 160 . 1 1 19 19 VAL CB C 13 31.230 0.000 . 1 . . . . . . . . 7185 1 161 . 1 1 19 19 VAL CG1 C 13 23.260 0.000 . 1 . . . . . . . . 7185 1 162 . 1 1 19 19 VAL CG2 C 13 21.940 0.000 . 1 . . . . . . . . 7185 1 163 . 1 1 19 19 VAL N N 15 121.020 0.000 . 1 . . . . . . . . 7185 1 164 . 1 1 20 20 SER HA H 1 4.240 0.000 . 1 . . . . . . . . 7185 1 165 . 1 1 20 20 SER HB2 H 1 4.000 0.000 . 1 . . . . . . . . 7185 1 166 . 1 1 20 20 SER CA C 13 61.860 0.000 . 1 . . . . . . . . 7185 1 167 . 1 1 20 20 SER CB C 13 62.740 0.000 . 1 . . . . . . . . 7185 1 168 . 1 1 20 20 SER N N 15 113.180 0.000 . 1 . . . . . . . . 7185 1 169 . 1 1 21 21 GLN HA H 1 4.170 0.000 . 1 . . . . . . . . 7185 1 170 . 1 1 21 21 GLN HB2 H 1 2.190 0.000 . 1 . . . . . . . . 7185 1 171 . 1 1 21 21 GLN HG2 H 1 2.650 0.000 . 2 . . . . . . . . 7185 1 172 . 1 1 21 21 GLN HG3 H 1 2.360 0.000 . 2 . . . . . . . . 7185 1 173 . 1 1 21 21 GLN CA C 13 59.220 0.000 . 1 . . . . . . . . 7185 1 174 . 1 1 21 21 GLN CB C 13 28.820 0.000 . 1 . . . . . . . . 7185 1 175 . 1 1 21 21 GLN CG C 13 34.310 0.000 . 1 . . . . . . . . 7185 1 176 . 1 1 21 21 GLN N N 15 121.590 0.000 . 1 . . . . . . . . 7185 1 177 . 1 1 22 22 ILE HA H 1 3.540 0.000 . 1 . . . . . . . . 7185 1 178 . 1 1 22 22 ILE HB H 1 2.010 0.000 . 1 . . . . . . . . 7185 1 179 . 1 1 22 22 ILE HG12 H 1 0.870 0.000 . 2 . . . . . . . . 7185 1 180 . 1 1 22 22 ILE HG13 H 1 0.820 0.000 . 2 . . . . . . . . 7185 1 181 . 1 1 22 22 ILE HG21 H 1 0.970 0.000 . 1 . . . . . . . . 7185 1 182 . 1 1 22 22 ILE HG22 H 1 0.970 0.000 . 1 . . . . . . . . 7185 1 183 . 1 1 22 22 ILE HG23 H 1 0.970 0.000 . 1 . . . . . . . . 7185 1 184 . 1 1 22 22 ILE HD11 H 1 0.880 0.000 . 1 . . . . . . . . 7185 1 185 . 1 1 22 22 ILE HD12 H 1 0.880 0.000 . 1 . . . . . . . . 7185 1 186 . 1 1 22 22 ILE HD13 H 1 0.880 0.000 . 1 . . . . . . . . 7185 1 187 . 1 1 22 22 ILE CA C 13 65.910 0.000 . 1 . . . . . . . . 7185 1 188 . 1 1 22 22 ILE CB C 13 38.620 0.000 . 1 . . . . . . . . 7185 1 189 . 1 1 22 22 ILE CG1 C 13 29.280 0.000 . 1 . . . . . . . . 7185 1 190 . 1 1 22 22 ILE CG2 C 13 18.300 0.000 . 1 . . . . . . . . 7185 1 191 . 1 1 22 22 ILE CD1 C 13 14.320 0.000 . 1 . . . . . . . . 7185 1 192 . 1 1 22 22 ILE N N 15 122.820 0.000 . 1 . . . . . . . . 7185 1 193 . 1 1 23 23 GLU HA H 1 3.920 0.000 . 1 . . . . . . . . 7185 1 194 . 1 1 23 23 GLU HB2 H 1 2.220 0.000 . 2 . . . . . . . . 7185 1 195 . 1 1 23 23 GLU HB3 H 1 2.080 0.000 . 2 . . . . . . . . 7185 1 196 . 1 1 23 23 GLU HG2 H 1 2.350 0.000 . 2 . . . . . . . . 7185 1 197 . 1 1 23 23 GLU HG3 H 1 2.220 0.000 . 2 . . . . . . . . 7185 1 198 . 1 1 23 23 GLU CA C 13 59.560 0.000 . 1 . . . . . . . . 7185 1 199 . 1 1 23 23 GLU CB C 13 29.050 0.000 . 1 . . . . . . . . 7185 1 200 . 1 1 23 23 GLU CG C 13 35.150 0.000 . 1 . . . . . . . . 7185 1 201 . 1 1 23 23 GLU N N 15 122.820 0.000 . 1 . . . . . . . . 7185 1 202 . 1 1 24 24 ASP HA H 1 4.320 0.000 . 1 . . . . . . . . 7185 1 203 . 1 1 24 24 ASP HB2 H 1 2.790 0.000 . 2 . . . . . . . . 7185 1 204 . 1 1 24 24 ASP HB3 H 1 2.630 0.000 . 2 . . . . . . . . 7185 1 205 . 1 1 24 24 ASP CA C 13 57.430 0.000 . 1 . . . . . . . . 7185 1 206 . 1 1 24 24 ASP CB C 13 41.360 0.000 . 1 . . . . . . . . 7185 1 207 . 1 1 24 24 ASP N N 15 118.130 0.000 . 1 . . . . . . . . 7185 1 208 . 1 1 25 25 ALA HA H 1 4.090 0.000 . 1 . . . . . . . . 7185 1 209 . 1 1 25 25 ALA HB1 H 1 1.690 0.000 . 1 . . . . . . . . 7185 1 210 . 1 1 25 25 ALA HB2 H 1 1.690 0.000 . 1 . . . . . . . . 7185 1 211 . 1 1 25 25 ALA HB3 H 1 1.690 0.000 . 1 . . . . . . . . 7185 1 212 . 1 1 25 25 ALA CA C 13 54.890 0.000 . 1 . . . . . . . . 7185 1 213 . 1 1 25 25 ALA CB C 13 19.040 0.000 . 1 . . . . . . . . 7185 1 214 . 1 1 25 25 ALA N N 15 121.050 0.000 . 1 . . . . . . . . 7185 1 215 . 1 1 26 26 MET HA H 1 3.260 0.000 . 1 . . . . . . . . 7185 1 216 . 1 1 26 26 MET HB2 H 1 1.860 0.000 . 2 . . . . . . . . 7185 1 217 . 1 1 26 26 MET HB3 H 1 1.670 0.000 . 2 . . . . . . . . 7185 1 218 . 1 1 26 26 MET HG2 H 1 2.080 0.000 . 2 . . . . . . . . 7185 1 219 . 1 1 26 26 MET HG3 H 1 0.930 0.000 . 2 . . . . . . . . 7185 1 220 . 1 1 26 26 MET CA C 13 59.650 0.000 . 1 . . . . . . . . 7185 1 221 . 1 1 26 26 MET CB C 13 33.090 0.000 . 1 . . . . . . . . 7185 1 222 . 1 1 26 26 MET CG C 13 31.550 0.000 . 1 . . . . . . . . 7185 1 223 . 1 1 26 26 MET N N 15 118.360 0.000 . 1 . . . . . . . . 7185 1 224 . 1 1 27 27 ARG HA H 1 4.080 0.000 . 1 . . . . . . . . 7185 1 225 . 1 1 27 27 ARG HB2 H 1 1.980 0.000 . 1 . . . . . . . . 7185 1 226 . 1 1 27 27 ARG HG2 H 1 1.810 0.000 . 2 . . . . . . . . 7185 1 227 . 1 1 27 27 ARG HG3 H 1 1.610 0.000 . 2 . . . . . . . . 7185 1 228 . 1 1 27 27 ARG HD2 H 1 3.200 0.000 . 1 . . . . . . . . 7185 1 229 . 1 1 27 27 ARG CA C 13 59.040 0.000 . 1 . . . . . . . . 7185 1 230 . 1 1 27 27 ARG CB C 13 29.980 0.000 . 1 . . . . . . . . 7185 1 231 . 1 1 27 27 ARG CG C 13 27.620 0.000 . 1 . . . . . . . . 7185 1 232 . 1 1 27 27 ARG CD C 13 43.260 0.000 . 1 . . . . . . . . 7185 1 233 . 1 1 27 27 ARG N N 15 119.960 0.000 . 1 . . . . . . . . 7185 1 234 . 1 1 28 28 LYS HA H 1 4.040 0.000 . 1 . . . . . . . . 7185 1 235 . 1 1 28 28 LYS HB2 H 1 1.890 0.000 . 2 . . . . . . . . 7185 1 236 . 1 1 28 28 LYS HB3 H 1 1.830 0.000 . 2 . . . . . . . . 7185 1 237 . 1 1 28 28 LYS HG2 H 1 1.530 0.000 . 2 . . . . . . . . 7185 1 238 . 1 1 28 28 LYS HG3 H 1 1.360 0.000 . 2 . . . . . . . . 7185 1 239 . 1 1 28 28 LYS HD2 H 1 1.570 0.000 . 1 . . . . . . . . 7185 1 240 . 1 1 28 28 LYS HE2 H 1 2.880 0.000 . 1 . . . . . . . . 7185 1 241 . 1 1 28 28 LYS CA C 13 58.800 0.000 . 1 . . . . . . . . 7185 1 242 . 1 1 28 28 LYS CB C 13 32.260 0.000 . 1 . . . . . . . . 7185 1 243 . 1 1 28 28 LYS CG C 13 25.900 0.000 . 1 . . . . . . . . 7185 1 244 . 1 1 28 28 LYS CD C 13 28.990 0.000 . 1 . . . . . . . . 7185 1 245 . 1 1 28 28 LYS CE C 13 41.920 0.000 . 1 . . . . . . . . 7185 1 246 . 1 1 28 28 LYS N N 15 120.150 0.000 . 1 . . . . . . . . 7185 1 247 . 1 1 29 29 ALA HA H 1 4.300 0.000 . 1 . . . . . . . . 7185 1 248 . 1 1 29 29 ALA HB1 H 1 1.650 0.000 . 1 . . . . . . . . 7185 1 249 . 1 1 29 29 ALA HB2 H 1 1.650 0.000 . 1 . . . . . . . . 7185 1 250 . 1 1 29 29 ALA HB3 H 1 1.650 0.000 . 1 . . . . . . . . 7185 1 251 . 1 1 29 29 ALA CA C 13 52.970 0.000 . 1 . . . . . . . . 7185 1 252 . 1 1 29 29 ALA CB C 13 19.900 0.000 . 1 . . . . . . . . 7185 1 253 . 1 1 29 29 ALA N N 15 118.880 0.000 . 1 . . . . . . . . 7185 1 254 . 1 1 30 30 GLY HA3 H 1 4.040 0.000 . 1 . . . . . . . . 7185 1 255 . 1 1 30 30 GLY CA C 13 46.230 0.000 . 1 . . . . . . . . 7185 1 256 . 1 1 30 30 GLY N N 15 105.830 0.000 . 1 . . . . . . . . 7185 1 257 . 1 1 31 31 VAL HA H 1 4.310 0.000 . 1 . . . . . . . . 7185 1 258 . 1 1 31 31 VAL HB H 1 2.080 0.000 . 1 . . . . . . . . 7185 1 259 . 1 1 31 31 VAL HG11 H 1 0.940 0.000 . 2 . . . . . . . . 7185 1 260 . 1 1 31 31 VAL HG12 H 1 0.940 0.000 . 2 . . . . . . . . 7185 1 261 . 1 1 31 31 VAL HG13 H 1 0.940 0.000 . 2 . . . . . . . . 7185 1 262 . 1 1 31 31 VAL HG21 H 1 0.810 0.000 . 2 . . . . . . . . 7185 1 263 . 1 1 31 31 VAL HG22 H 1 0.810 0.000 . 2 . . . . . . . . 7185 1 264 . 1 1 31 31 VAL HG23 H 1 0.810 0.000 . 2 . . . . . . . . 7185 1 265 . 1 1 31 31 VAL CA C 13 60.720 0.000 . 1 . . . . . . . . 7185 1 266 . 1 1 31 31 VAL CB C 13 32.950 0.000 . 1 . . . . . . . . 7185 1 267 . 1 1 31 31 VAL CG1 C 13 21.340 0.000 . 1 . . . . . . . . 7185 1 268 . 1 1 31 31 VAL CG2 C 13 19.980 0.000 . 1 . . . . . . . . 7185 1 269 . 1 1 31 31 VAL N N 15 114.000 0.000 . 1 . . . . . . . . 7185 1 270 . 1 1 32 32 ALA HA H 1 4.280 0.000 . 1 . . . . . . . . 7185 1 271 . 1 1 32 32 ALA HB1 H 1 1.300 0.000 . 1 . . . . . . . . 7185 1 272 . 1 1 32 32 ALA HB2 H 1 1.300 0.000 . 1 . . . . . . . . 7185 1 273 . 1 1 32 32 ALA HB3 H 1 1.300 0.000 . 1 . . . . . . . . 7185 1 274 . 1 1 32 32 ALA CA C 13 52.520 0.000 . 1 . . . . . . . . 7185 1 275 . 1 1 32 32 ALA CB C 13 18.920 0.000 . 1 . . . . . . . . 7185 1 276 . 1 1 32 32 ALA N N 15 126.870 0.000 . 1 . . . . . . . . 7185 1 277 . 1 1 33 33 HIS HA H 1 4.670 0.000 . 1 . . . . . . . . 7185 1 278 . 1 1 33 33 HIS HB2 H 1 3.180 0.000 . 2 . . . . . . . . 7185 1 279 . 1 1 33 33 HIS HB3 H 1 3.080 0.000 . 2 . . . . . . . . 7185 1 280 . 1 1 33 33 HIS HD2 H 1 7.120 0.000 . 1 . . . . . . . . 7185 1 281 . 1 1 33 33 HIS CA C 13 56.190 0.000 . 1 . . . . . . . . 7185 1 282 . 1 1 33 33 HIS CB C 13 31.230 0.000 . 1 . . . . . . . . 7185 1 283 . 1 1 33 33 HIS CD2 C 13 119.480 0.000 . 1 . . . . . . . . 7185 1 284 . 1 1 33 33 HIS N N 15 118.310 0.000 . 1 . . . . . . . . 7185 1 285 . 1 1 34 34 SER HA H 1 4.320 0.000 . 1 . . . . . . . . 7185 1 286 . 1 1 34 34 SER HB2 H 1 3.890 0.000 . 2 . . . . . . . . 7185 1 287 . 1 1 34 34 SER HB3 H 1 3.740 0.000 . 2 . . . . . . . . 7185 1 288 . 1 1 34 34 SER CA C 13 59.290 0.000 . 1 . . . . . . . . 7185 1 289 . 1 1 34 34 SER CB C 13 63.500 0.000 . 1 . . . . . . . . 7185 1 290 . 1 1 34 34 SER N N 15 113.590 0.000 . 1 . . . . . . . . 7185 1 291 . 1 1 35 35 LYS HA H 1 4.560 0.000 . 1 . . . . . . . . 7185 1 292 . 1 1 35 35 LYS HB2 H 1 1.820 0.000 . 2 . . . . . . . . 7185 1 293 . 1 1 35 35 LYS HB3 H 1 1.770 0.000 . 2 . . . . . . . . 7185 1 294 . 1 1 35 35 LYS HG2 H 1 1.500 0.000 . 2 . . . . . . . . 7185 1 295 . 1 1 35 35 LYS HG3 H 1 1.460 0.000 . 2 . . . . . . . . 7185 1 296 . 1 1 35 35 LYS HD2 H 1 1.680 0.000 . 1 . . . . . . . . 7185 1 297 . 1 1 35 35 LYS HE2 H 1 2.990 0.000 . 1 . . . . . . . . 7185 1 298 . 1 1 35 35 LYS CA C 13 55.240 0.000 . 1 . . . . . . . . 7185 1 299 . 1 1 35 35 LYS CB C 13 34.600 0.000 . 1 . . . . . . . . 7185 1 300 . 1 1 35 35 LYS CG C 13 25.160 0.000 . 1 . . . . . . . . 7185 1 301 . 1 1 35 35 LYS CD C 13 28.980 0.000 . 1 . . . . . . . . 7185 1 302 . 1 1 35 35 LYS CE C 13 41.880 0.000 . 1 . . . . . . . . 7185 1 303 . 1 1 35 35 LYS N N 15 113.590 0.000 . 1 . . . . . . . . 7185 1 304 . 1 1 36 36 SER HA H 1 4.650 0.000 . 1 . . . . . . . . 7185 1 305 . 1 1 36 36 SER HB2 H 1 4.190 0.000 . 2 . . . . . . . . 7185 1 306 . 1 1 36 36 SER HB3 H 1 3.980 0.000 . 2 . . . . . . . . 7185 1 307 . 1 1 36 36 SER CA C 13 56.890 0.000 . 1 . . . . . . . . 7185 1 308 . 1 1 36 36 SER CB C 13 64.600 0.000 . 1 . . . . . . . . 7185 1 309 . 1 1 36 36 SER N N 15 116.070 0.000 . 1 . . . . . . . . 7185 1 310 . 1 1 37 37 SER HA H 1 3.980 0.000 . 1 . . . . . . . . 7185 1 311 . 1 1 37 37 SER CA C 13 61.550 0.000 . 1 . . . . . . . . 7185 1 312 . 1 1 37 37 SER CB C 13 63.720 0.000 . 1 . . . . . . . . 7185 1 313 . 1 1 37 37 SER N N 15 120.920 0.000 . 1 . . . . . . . . 7185 1 314 . 1 1 38 38 LYS HA H 1 4.130 0.000 . 1 . . . . . . . . 7185 1 315 . 1 1 38 38 LYS HB2 H 1 1.840 0.000 . 1 . . . . . . . . 7185 1 316 . 1 1 38 38 LYS HG2 H 1 1.510 0.000 . 2 . . . . . . . . 7185 1 317 . 1 1 38 38 LYS HG3 H 1 1.430 0.000 . 2 . . . . . . . . 7185 1 318 . 1 1 38 38 LYS HD2 H 1 1.690 0.000 . 1 . . . . . . . . 7185 1 319 . 1 1 38 38 LYS HE2 H 1 2.980 0.000 . 1 . . . . . . . . 7185 1 320 . 1 1 38 38 LYS CA C 13 59.360 0.000 . 1 . . . . . . . . 7185 1 321 . 1 1 38 38 LYS CB C 13 32.560 0.000 . 1 . . . . . . . . 7185 1 322 . 1 1 38 38 LYS CG C 13 24.960 0.000 . 1 . . . . . . . . 7185 1 323 . 1 1 38 38 LYS CD C 13 29.040 0.000 . 1 . . . . . . . . 7185 1 324 . 1 1 38 38 LYS CE C 13 41.870 0.000 . 1 . . . . . . . . 7185 1 325 . 1 1 38 38 LYS N N 15 121.280 0.000 . 1 . . . . . . . . 7185 1 326 . 1 1 39 39 ASP HA H 1 4.460 0.000 . 1 . . . . . . . . 7185 1 327 . 1 1 39 39 ASP HB2 H 1 2.870 0.000 . 2 . . . . . . . . 7185 1 328 . 1 1 39 39 ASP HB3 H 1 2.680 0.000 . 2 . . . . . . . . 7185 1 329 . 1 1 39 39 ASP CA C 13 57.160 0.000 . 1 . . . . . . . . 7185 1 330 . 1 1 39 39 ASP CB C 13 40.470 0.000 . 1 . . . . . . . . 7185 1 331 . 1 1 39 39 ASP N N 15 121.280 0.000 . 1 . . . . . . . . 7185 1 332 . 1 1 40 40 MET HA H 1 4.250 0.000 . 1 . . . . . . . . 7185 1 333 . 1 1 40 40 MET HB2 H 1 2.260 0.000 . 2 . . . . . . . . 7185 1 334 . 1 1 40 40 MET HB3 H 1 2.140 0.000 . 2 . . . . . . . . 7185 1 335 . 1 1 40 40 MET HG2 H 1 2.830 0.000 . 2 . . . . . . . . 7185 1 336 . 1 1 40 40 MET HG3 H 1 2.620 0.000 . 2 . . . . . . . . 7185 1 337 . 1 1 40 40 MET CA C 13 59.080 0.000 . 1 . . . . . . . . 7185 1 338 . 1 1 40 40 MET CB C 13 33.120 0.000 . 1 . . . . . . . . 7185 1 339 . 1 1 40 40 MET CG C 13 33.100 0.000 . 1 . . . . . . . . 7185 1 340 . 1 1 40 40 MET N N 15 122.050 0.000 . 1 . . . . . . . . 7185 1 341 . 1 1 41 41 GLU HA H 1 3.840 0.000 . 1 . . . . . . . . 7185 1 342 . 1 1 41 41 GLU HB2 H 1 1.750 0.000 . 1 . . . . . . . . 7185 1 343 . 1 1 41 41 GLU HG2 H 1 2.450 0.000 . 2 . . . . . . . . 7185 1 344 . 1 1 41 41 GLU HG3 H 1 2.260 0.000 . 2 . . . . . . . . 7185 1 345 . 1 1 41 41 GLU CA C 13 60.940 0.000 . 1 . . . . . . . . 7185 1 346 . 1 1 41 41 GLU CB C 13 28.940 0.000 . 1 . . . . . . . . 7185 1 347 . 1 1 41 41 GLU CG C 13 35.230 0.000 . 1 . . . . . . . . 7185 1 348 . 1 1 41 41 GLU N N 15 119.030 0.000 . 1 . . . . . . . . 7185 1 349 . 1 1 42 42 SER HA H 1 4.050 0.000 . 1 . . . . . . . . 7185 1 350 . 1 1 42 42 SER HB2 H 1 3.870 0.000 . 1 . . . . . . . . 7185 1 351 . 1 1 42 42 SER CA C 13 61.780 0.000 . 1 . . . . . . . . 7185 1 352 . 1 1 42 42 SER CB C 13 62.170 0.000 . 1 . . . . . . . . 7185 1 353 . 1 1 42 42 SER N N 15 114.150 0.000 . 1 . . . . . . . . 7185 1 354 . 1 1 43 43 HIS HA H 1 4.400 0.000 . 1 . . . . . . . . 7185 1 355 . 1 1 43 43 HIS HB2 H 1 3.350 0.000 . 2 . . . . . . . . 7185 1 356 . 1 1 43 43 HIS HB3 H 1 3.300 0.000 . 2 . . . . . . . . 7185 1 357 . 1 1 43 43 HIS HD2 H 1 6.990 0.000 . 1 . . . . . . . . 7185 1 358 . 1 1 43 43 HIS CA C 13 59.620 0.000 . 1 . . . . . . . . 7185 1 359 . 1 1 43 43 HIS CB C 13 30.460 0.000 . 1 . . . . . . . . 7185 1 360 . 1 1 43 43 HIS CD2 C 13 120.920 0.000 . 1 . . . . . . . . 7185 1 361 . 1 1 43 43 HIS N N 15 118.620 0.000 . 1 . . . . . . . . 7185 1 362 . 1 1 44 44 VAL HA H 1 3.900 0.000 . 1 . . . . . . . . 7185 1 363 . 1 1 44 44 VAL HB H 1 2.450 0.000 . 1 . . . . . . . . 7185 1 364 . 1 1 44 44 VAL HG11 H 1 1.180 0.000 . 2 . . . . . . . . 7185 1 365 . 1 1 44 44 VAL HG12 H 1 1.180 0.000 . 2 . . . . . . . . 7185 1 366 . 1 1 44 44 VAL HG13 H 1 1.180 0.000 . 2 . . . . . . . . 7185 1 367 . 1 1 44 44 VAL HG21 H 1 1.240 0.000 . 2 . . . . . . . . 7185 1 368 . 1 1 44 44 VAL HG22 H 1 1.240 0.000 . 2 . . . . . . . . 7185 1 369 . 1 1 44 44 VAL HG23 H 1 1.240 0.000 . 2 . . . . . . . . 7185 1 370 . 1 1 44 44 VAL CA C 13 65.700 0.000 . 1 . . . . . . . . 7185 1 371 . 1 1 44 44 VAL CB C 13 31.510 0.000 . 1 . . . . . . . . 7185 1 372 . 1 1 44 44 VAL CG1 C 13 24.150 0.000 . 1 . . . . . . . . 7185 1 373 . 1 1 44 44 VAL CG2 C 13 21.570 0.000 . 1 . . . . . . . . 7185 1 374 . 1 1 44 44 VAL N N 15 113.830 0.000 . 1 . . . . . . . . 7185 1 375 . 1 1 45 45 PHE HA H 1 4.240 0.000 . 1 . . . . . . . . 7185 1 376 . 1 1 45 45 PHE HB2 H 1 3.670 0.000 . 2 . . . . . . . . 7185 1 377 . 1 1 45 45 PHE HB3 H 1 3.050 0.000 . 2 . . . . . . . . 7185 1 378 . 1 1 45 45 PHE HD1 H 1 6.830 0.000 . 1 . . . . . . . . 7185 1 379 . 1 1 45 45 PHE HE1 H 1 6.940 0.000 . 1 . . . . . . . . 7185 1 380 . 1 1 45 45 PHE HZ H 1 6.630 0.000 . 1 . . . . . . . . 7185 1 381 . 1 1 45 45 PHE CA C 13 62.730 0.000 . 1 . . . . . . . . 7185 1 382 . 1 1 45 45 PHE CB C 13 39.630 0.000 . 1 . . . . . . . . 7185 1 383 . 1 1 45 45 PHE CD1 C 13 131.460 0.000 . 1 . . . . . . . . 7185 1 384 . 1 1 45 45 PHE CE1 C 13 131.460 0.000 . 1 . . . . . . . . 7185 1 385 . 1 1 45 45 PHE CZ C 13 127.870 0.000 . 1 . . . . . . . . 7185 1 386 . 1 1 45 45 PHE N N 15 113.830 0.000 . 1 . . . . . . . . 7185 1 387 . 1 1 46 46 LEU HA H 1 3.960 0.000 . 1 . . . . . . . . 7185 1 388 . 1 1 46 46 LEU HB2 H 1 1.860 0.000 . 2 . . . . . . . . 7185 1 389 . 1 1 46 46 LEU HB3 H 1 1.570 0.000 . 2 . . . . . . . . 7185 1 390 . 1 1 46 46 LEU HG H 1 1.990 0.000 . 1 . . . . . . . . 7185 1 391 . 1 1 46 46 LEU HD11 H 1 0.950 0.000 . 2 . . . . . . . . 7185 1 392 . 1 1 46 46 LEU HD12 H 1 0.950 0.000 . 2 . . . . . . . . 7185 1 393 . 1 1 46 46 LEU HD13 H 1 0.950 0.000 . 2 . . . . . . . . 7185 1 394 . 1 1 46 46 LEU HD21 H 1 0.970 0.000 . 2 . . . . . . . . 7185 1 395 . 1 1 46 46 LEU HD22 H 1 0.970 0.000 . 2 . . . . . . . . 7185 1 396 . 1 1 46 46 LEU HD23 H 1 0.970 0.000 . 2 . . . . . . . . 7185 1 397 . 1 1 46 46 LEU CA C 13 56.700 0.000 . 1 . . . . . . . . 7185 1 398 . 1 1 46 46 LEU CB C 13 42.210 0.000 . 1 . . . . . . . . 7185 1 399 . 1 1 46 46 LEU CG C 13 27.290 0.000 . 1 . . . . . . . . 7185 1 400 . 1 1 46 46 LEU CD1 C 13 25.140 0.000 . 1 . . . . . . . . 7185 1 401 . 1 1 46 46 LEU CD2 C 13 23.410 0.000 . 1 . . . . . . . . 7185 1 402 . 1 1 46 46 LEU N N 15 114.700 0.000 . 1 . . . . . . . . 7185 1 403 . 1 1 47 47 LYS HA H 1 4.170 0.000 . 1 . . . . . . . . 7185 1 404 . 1 1 47 47 LYS HB2 H 1 1.810 0.000 . 1 . . . . . . . . 7185 1 405 . 1 1 47 47 LYS HG2 H 1 1.420 0.000 . 1 . . . . . . . . 7185 1 406 . 1 1 47 47 LYS HD2 H 1 1.580 0.000 . 1 . . . . . . . . 7185 1 407 . 1 1 47 47 LYS HE2 H 1 2.900 0.000 . 1 . . . . . . . . 7185 1 408 . 1 1 47 47 LYS CA C 13 56.550 0.000 . 1 . . . . . . . . 7185 1 409 . 1 1 47 47 LYS CB C 13 33.380 0.000 . 1 . . . . . . . . 7185 1 410 . 1 1 47 47 LYS CG C 13 24.710 0.000 . 1 . . . . . . . . 7185 1 411 . 1 1 47 47 LYS CD C 13 29.170 0.000 . 1 . . . . . . . . 7185 1 412 . 1 1 47 47 LYS CE C 13 41.690 0.000 . 1 . . . . . . . . 7185 1 413 . 1 1 47 47 LYS N N 15 116.810 0.000 . 1 . . . . . . . . 7185 1 414 . 1 1 48 48 ALA HA H 1 4.120 0.000 . 1 . . . . . . . . 7185 1 415 . 1 1 48 48 ALA HB1 H 1 1.580 0.000 . 1 . . . . . . . . 7185 1 416 . 1 1 48 48 ALA HB2 H 1 1.580 0.000 . 1 . . . . . . . . 7185 1 417 . 1 1 48 48 ALA HB3 H 1 1.580 0.000 . 1 . . . . . . . . 7185 1 418 . 1 1 48 48 ALA CA C 13 52.520 0.000 . 1 . . . . . . . . 7185 1 419 . 1 1 48 48 ALA CB C 13 20.050 0.000 . 1 . . . . . . . . 7185 1 420 . 1 1 48 48 ALA N N 15 122.460 0.000 . 1 . . . . . . . . 7185 1 421 . 1 1 49 49 LYS HA H 1 4.550 0.000 . 1 . . . . . . . . 7185 1 422 . 1 1 49 49 LYS HB2 H 1 1.980 0.000 . 2 . . . . . . . . 7185 1 423 . 1 1 49 49 LYS HB3 H 1 1.910 0.000 . 2 . . . . . . . . 7185 1 424 . 1 1 49 49 LYS HG2 H 1 1.640 0.000 . 2 . . . . . . . . 7185 1 425 . 1 1 49 49 LYS HG3 H 1 1.510 0.000 . 2 . . . . . . . . 7185 1 426 . 1 1 49 49 LYS HD2 H 1 1.730 0.000 . 1 . . . . . . . . 7185 1 427 . 1 1 49 49 LYS HE2 H 1 3.040 0.000 . 1 . . . . . . . . 7185 1 428 . 1 1 49 49 LYS CA C 13 56.250 0.000 . 1 . . . . . . . . 7185 1 429 . 1 1 49 49 LYS CB C 13 33.980 0.000 . 1 . . . . . . . . 7185 1 430 . 1 1 49 49 LYS CG C 13 25.140 0.000 . 1 . . . . . . . . 7185 1 431 . 1 1 49 49 LYS CD C 13 28.660 0.000 . 1 . . . . . . . . 7185 1 432 . 1 1 49 49 LYS CE C 13 41.640 0.000 . 1 . . . . . . . . 7185 1 433 . 1 1 49 49 LYS N N 15 122.460 0.000 . 1 . . . . . . . . 7185 1 434 . 1 1 50 50 THR HA H 1 4.480 0.000 . 1 . . . . . . . . 7185 1 435 . 1 1 50 50 THR HB H 1 4.410 0.000 . 1 . . . . . . . . 7185 1 436 . 1 1 50 50 THR HG21 H 1 1.160 0.000 . 1 . . . . . . . . 7185 1 437 . 1 1 50 50 THR HG22 H 1 1.160 0.000 . 1 . . . . . . . . 7185 1 438 . 1 1 50 50 THR HG23 H 1 1.160 0.000 . 1 . . . . . . . . 7185 1 439 . 1 1 50 50 THR CA C 13 58.200 0.000 . 1 . . . . . . . . 7185 1 440 . 1 1 50 50 THR CB C 13 73.430 0.000 . 1 . . . . . . . . 7185 1 441 . 1 1 50 50 THR CG2 C 13 21.830 0.000 . 1 . . . . . . . . 7185 1 442 . 1 1 50 50 THR N N 15 106.390 0.000 . 1 . . . . . . . . 7185 1 443 . 1 1 51 51 ARG HA H 1 4.450 0.000 . 1 . . . . . . . . 7185 1 444 . 1 1 51 51 ARG HB2 H 1 2.240 0.000 . 1 . . . . . . . . 7185 1 445 . 1 1 51 51 ARG HG2 H 1 1.290 0.000 . 2 . . . . . . . . 7185 1 446 . 1 1 51 51 ARG HG3 H 1 0.760 0.000 . 2 . . . . . . . . 7185 1 447 . 1 1 51 51 ARG HD2 H 1 3.130 0.000 . 1 . . . . . . . . 7185 1 448 . 1 1 51 51 ARG CA C 13 58.770 0.000 . 1 . . . . . . . . 7185 1 449 . 1 1 51 51 ARG CB C 13 30.360 0.000 . 1 . . . . . . . . 7185 1 450 . 1 1 51 51 ARG CG C 13 30.350 0.000 . 1 . . . . . . . . 7185 1 451 . 1 1 51 51 ARG CD C 13 43.210 0.000 . 1 . . . . . . . . 7185 1 452 . 1 1 51 51 ARG N N 15 122.510 0.000 . 1 . . . . . . . . 7185 1 453 . 1 1 52 52 ASP HA H 1 4.220 0.000 . 1 . . . . . . . . 7185 1 454 . 1 1 52 52 ASP HB2 H 1 2.550 0.000 . 2 . . . . . . . . 7185 1 455 . 1 1 52 52 ASP HB3 H 1 2.420 0.000 . 2 . . . . . . . . 7185 1 456 . 1 1 52 52 ASP CA C 13 57.070 0.000 . 1 . . . . . . . . 7185 1 457 . 1 1 52 52 ASP CB C 13 40.270 0.000 . 1 . . . . . . . . 7185 1 458 . 1 1 52 52 ASP N N 15 115.220 0.000 . 1 . . . . . . . . 7185 1 459 . 1 1 53 53 GLU HA H 1 3.970 0.000 . 1 . . . . . . . . 7185 1 460 . 1 1 53 53 GLU HB2 H 1 2.000 0.000 . 1 . . . . . . . . 7185 1 461 . 1 1 53 53 GLU HG2 H 1 2.390 0.000 . 2 . . . . . . . . 7185 1 462 . 1 1 53 53 GLU HG3 H 1 2.170 0.000 . 2 . . . . . . . . 7185 1 463 . 1 1 53 53 GLU CA C 13 59.190 0.000 . 1 . . . . . . . . 7185 1 464 . 1 1 53 53 GLU CB C 13 30.600 0.000 . 1 . . . . . . . . 7185 1 465 . 1 1 53 53 GLU CG C 13 36.510 0.000 . 1 . . . . . . . . 7185 1 466 . 1 1 53 53 GLU N N 15 121.370 0.000 . 1 . . . . . . . . 7185 1 467 . 1 1 54 54 TYR HA H 1 4.050 0.000 . 1 . . . . . . . . 7185 1 468 . 1 1 54 54 TYR HB2 H 1 2.940 0.000 . 1 . . . . . . . . 7185 1 469 . 1 1 54 54 TYR HD1 H 1 7.150 0.000 . 1 . . . . . . . . 7185 1 470 . 1 1 54 54 TYR HE1 H 1 7.150 0.000 . 1 . . . . . . . . 7185 1 471 . 1 1 54 54 TYR CA C 13 60.980 0.000 . 1 . . . . . . . . 7185 1 472 . 1 1 54 54 TYR CB C 13 39.040 0.000 . 1 . . . . . . . . 7185 1 473 . 1 1 54 54 TYR CD1 C 13 132.730 0.000 . 1 . . . . . . . . 7185 1 474 . 1 1 54 54 TYR CE1 C 13 119.430 0.000 . 1 . . . . . . . . 7185 1 475 . 1 1 54 54 TYR N N 15 120.230 0.000 . 1 . . . . . . . . 7185 1 476 . 1 1 55 55 LEU HA H 1 3.770 0.000 . 1 . . . . . . . . 7185 1 477 . 1 1 55 55 LEU HB2 H 1 1.880 0.000 . 2 . . . . . . . . 7185 1 478 . 1 1 55 55 LEU HB3 H 1 1.470 0.000 . 2 . . . . . . . . 7185 1 479 . 1 1 55 55 LEU HG H 1 2.090 0.000 . 1 . . . . . . . . 7185 1 480 . 1 1 55 55 LEU HD11 H 1 1.050 0.000 . 2 . . . . . . . . 7185 1 481 . 1 1 55 55 LEU HD12 H 1 1.050 0.000 . 2 . . . . . . . . 7185 1 482 . 1 1 55 55 LEU HD13 H 1 1.050 0.000 . 2 . . . . . . . . 7185 1 483 . 1 1 55 55 LEU HD21 H 1 1.100 0.000 . 2 . . . . . . . . 7185 1 484 . 1 1 55 55 LEU HD22 H 1 1.100 0.000 . 2 . . . . . . . . 7185 1 485 . 1 1 55 55 LEU HD23 H 1 1.100 0.000 . 2 . . . . . . . . 7185 1 486 . 1 1 55 55 LEU CA C 13 57.780 0.000 . 1 . . . . . . . . 7185 1 487 . 1 1 55 55 LEU CB C 13 41.010 0.000 . 1 . . . . . . . . 7185 1 488 . 1 1 55 55 LEU CG C 13 27.260 0.000 . 1 . . . . . . . . 7185 1 489 . 1 1 55 55 LEU CD1 C 13 25.970 0.000 . 1 . . . . . . . . 7185 1 490 . 1 1 55 55 LEU CD2 C 13 22.660 0.000 . 1 . . . . . . . . 7185 1 491 . 1 1 55 55 LEU N N 15 115.870 0.000 . 1 . . . . . . . . 7185 1 492 . 1 1 56 56 SER HA H 1 4.270 0.000 . 1 . . . . . . . . 7185 1 493 . 1 1 56 56 SER HB2 H 1 3.990 0.000 . 1 . . . . . . . . 7185 1 494 . 1 1 56 56 SER CA C 13 61.400 0.000 . 1 . . . . . . . . 7185 1 495 . 1 1 56 56 SER CB C 13 62.630 0.000 . 1 . . . . . . . . 7185 1 496 . 1 1 56 56 SER N N 15 115.710 0.000 . 1 . . . . . . . . 7185 1 497 . 1 1 57 57 LEU HA H 1 4.090 0.000 . 1 . . . . . . . . 7185 1 498 . 1 1 57 57 LEU HB2 H 1 2.160 0.000 . 2 . . . . . . . . 7185 1 499 . 1 1 57 57 LEU HB3 H 1 1.360 0.000 . 2 . . . . . . . . 7185 1 500 . 1 1 57 57 LEU HG H 1 1.980 0.000 . 1 . . . . . . . . 7185 1 501 . 1 1 57 57 LEU HD11 H 1 0.960 0.000 . 2 . . . . . . . . 7185 1 502 . 1 1 57 57 LEU HD12 H 1 0.960 0.000 . 2 . . . . . . . . 7185 1 503 . 1 1 57 57 LEU HD13 H 1 0.960 0.000 . 2 . . . . . . . . 7185 1 504 . 1 1 57 57 LEU HD21 H 1 0.910 0.000 . 2 . . . . . . . . 7185 1 505 . 1 1 57 57 LEU HD22 H 1 0.910 0.000 . 2 . . . . . . . . 7185 1 506 . 1 1 57 57 LEU HD23 H 1 0.910 0.000 . 2 . . . . . . . . 7185 1 507 . 1 1 57 57 LEU CA C 13 57.980 0.000 . 1 . . . . . . . . 7185 1 508 . 1 1 57 57 LEU CB C 13 42.560 0.000 . 1 . . . . . . . . 7185 1 509 . 1 1 57 57 LEU CG C 13 27.220 0.000 . 1 . . . . . . . . 7185 1 510 . 1 1 57 57 LEU CD1 C 13 26.170 0.000 . 1 . . . . . . . . 7185 1 511 . 1 1 57 57 LEU CD2 C 13 22.680 0.000 . 1 . . . . . . . . 7185 1 512 . 1 1 57 57 LEU N N 15 123.410 0.000 . 1 . . . . . . . . 7185 1 513 . 1 1 58 58 VAL HA H 1 3.540 0.000 . 1 . . . . . . . . 7185 1 514 . 1 1 58 58 VAL HB H 1 1.880 0.000 . 1 . . . . . . . . 7185 1 515 . 1 1 58 58 VAL HG11 H 1 0.720 0.000 . 2 . . . . . . . . 7185 1 516 . 1 1 58 58 VAL HG12 H 1 0.720 0.000 . 2 . . . . . . . . 7185 1 517 . 1 1 58 58 VAL HG13 H 1 0.720 0.000 . 2 . . . . . . . . 7185 1 518 . 1 1 58 58 VAL HG21 H 1 0.900 0.000 . 2 . . . . . . . . 7185 1 519 . 1 1 58 58 VAL HG22 H 1 0.900 0.000 . 2 . . . . . . . . 7185 1 520 . 1 1 58 58 VAL HG23 H 1 0.900 0.000 . 2 . . . . . . . . 7185 1 521 . 1 1 58 58 VAL CA C 13 67.470 0.000 . 1 . . . . . . . . 7185 1 522 . 1 1 58 58 VAL CB C 13 31.430 0.000 . 1 . . . . . . . . 7185 1 523 . 1 1 58 58 VAL CG1 C 13 23.500 0.000 . 1 . . . . . . . . 7185 1 524 . 1 1 58 58 VAL CG2 C 13 22.000 0.000 . 1 . . . . . . . . 7185 1 525 . 1 1 58 58 VAL N N 15 120.610 0.000 . 1 . . . . . . . . 7185 1 526 . 1 1 59 59 ALA HA H 1 4.030 0.000 . 1 . . . . . . . . 7185 1 527 . 1 1 59 59 ALA HB1 H 1 1.530 0.000 . 1 . . . . . . . . 7185 1 528 . 1 1 59 59 ALA HB2 H 1 1.530 0.000 . 1 . . . . . . . . 7185 1 529 . 1 1 59 59 ALA HB3 H 1 1.530 0.000 . 1 . . . . . . . . 7185 1 530 . 1 1 59 59 ALA CA C 13 55.450 0.000 . 1 . . . . . . . . 7185 1 531 . 1 1 59 59 ALA CB C 13 17.640 0.000 . 1 . . . . . . . . 7185 1 532 . 1 1 59 59 ALA N N 15 121.370 0.000 . 1 . . . . . . . . 7185 1 533 . 1 1 60 60 ARG HA H 1 3.980 0.000 . 1 . . . . . . . . 7185 1 534 . 1 1 60 60 ARG HB2 H 1 1.940 0.000 . 1 . . . . . . . . 7185 1 535 . 1 1 60 60 ARG HG2 H 1 1.700 0.000 . 1 . . . . . . . . 7185 1 536 . 1 1 60 60 ARG HD2 H 1 3.170 0.000 . 1 . . . . . . . . 7185 1 537 . 1 1 60 60 ARG CA C 13 59.060 0.000 . 1 . . . . . . . . 7185 1 538 . 1 1 60 60 ARG CB C 13 30.060 0.000 . 1 . . . . . . . . 7185 1 539 . 1 1 60 60 ARG CG C 13 27.430 0.000 . 1 . . . . . . . . 7185 1 540 . 1 1 60 60 ARG CD C 13 43.490 0.000 . 1 . . . . . . . . 7185 1 541 . 1 1 60 60 ARG N N 15 115.880 0.000 . 1 . . . . . . . . 7185 1 542 . 1 1 61 61 LEU HA H 1 4.090 0.000 . 1 . . . . . . . . 7185 1 543 . 1 1 61 61 LEU HB2 H 1 1.980 0.000 . 2 . . . . . . . . 7185 1 544 . 1 1 61 61 LEU HB3 H 1 1.800 0.000 . 2 . . . . . . . . 7185 1 545 . 1 1 61 61 LEU HG H 1 1.850 0.000 . 1 . . . . . . . . 7185 1 546 . 1 1 61 61 LEU HD11 H 1 0.950 0.000 . 1 . . . . . . . . 7185 1 547 . 1 1 61 61 LEU HD12 H 1 0.950 0.000 . 1 . . . . . . . . 7185 1 548 . 1 1 61 61 LEU HD13 H 1 0.950 0.000 . 1 . . . . . . . . 7185 1 549 . 1 1 61 61 LEU HD21 H 1 0.950 0.000 . 1 . . . . . . . . 7185 1 550 . 1 1 61 61 LEU HD22 H 1 0.950 0.000 . 1 . . . . . . . . 7185 1 551 . 1 1 61 61 LEU HD23 H 1 0.950 0.000 . 1 . . . . . . . . 7185 1 552 . 1 1 61 61 LEU CA C 13 57.710 0.000 . 1 . . . . . . . . 7185 1 553 . 1 1 61 61 LEU CB C 13 42.480 0.000 . 1 . . . . . . . . 7185 1 554 . 1 1 61 61 LEU CG C 13 26.860 0.000 . 1 . . . . . . . . 7185 1 555 . 1 1 61 61 LEU CD1 C 13 25.430 0.000 . 1 . . . . . . . . 7185 1 556 . 1 1 61 61 LEU CD2 C 13 24.630 0.000 . 1 . . . . . . . . 7185 1 557 . 1 1 61 61 LEU N N 15 122.220 0.000 . 1 . . . . . . . . 7185 1 558 . 1 1 62 62 ILE HA H 1 3.610 0.000 . 1 . . . . . . . . 7185 1 559 . 1 1 62 62 ILE HB H 1 1.980 0.000 . 1 . . . . . . . . 7185 1 560 . 1 1 62 62 ILE HG12 H 1 1.780 0.000 . 2 . . . . . . . . 7185 1 561 . 1 1 62 62 ILE HG13 H 1 1.040 0.000 . 2 . . . . . . . . 7185 1 562 . 1 1 62 62 ILE HG21 H 1 0.920 0.000 . 1 . . . . . . . . 7185 1 563 . 1 1 62 62 ILE HG22 H 1 0.920 0.000 . 1 . . . . . . . . 7185 1 564 . 1 1 62 62 ILE HG23 H 1 0.920 0.000 . 1 . . . . . . . . 7185 1 565 . 1 1 62 62 ILE HD11 H 1 0.810 0.000 . 1 . . . . . . . . 7185 1 566 . 1 1 62 62 ILE HD12 H 1 0.810 0.000 . 1 . . . . . . . . 7185 1 567 . 1 1 62 62 ILE HD13 H 1 0.810 0.000 . 1 . . . . . . . . 7185 1 568 . 1 1 62 62 ILE CA C 13 65.980 0.000 . 1 . . . . . . . . 7185 1 569 . 1 1 62 62 ILE CB C 13 37.840 0.000 . 1 . . . . . . . . 7185 1 570 . 1 1 62 62 ILE CG1 C 13 30.500 0.000 . 1 . . . . . . . . 7185 1 571 . 1 1 62 62 ILE CG2 C 13 17.340 0.000 . 1 . . . . . . . . 7185 1 572 . 1 1 62 62 ILE CD1 C 13 14.190 0.000 . 1 . . . . . . . . 7185 1 573 . 1 1 62 62 ILE N N 15 118.390 0.000 . 1 . . . . . . . . 7185 1 574 . 1 1 63 63 ILE HA H 1 3.640 0.000 . 1 . . . . . . . . 7185 1 575 . 1 1 63 63 ILE HB H 1 1.900 0.000 . 1 . . . . . . . . 7185 1 576 . 1 1 63 63 ILE HG12 H 1 1.610 0.000 . 2 . . . . . . . . 7185 1 577 . 1 1 63 63 ILE HG13 H 1 1.200 0.000 . 2 . . . . . . . . 7185 1 578 . 1 1 63 63 ILE HG21 H 1 0.920 0.000 . 1 . . . . . . . . 7185 1 579 . 1 1 63 63 ILE HG22 H 1 0.920 0.000 . 1 . . . . . . . . 7185 1 580 . 1 1 63 63 ILE HG23 H 1 0.920 0.000 . 1 . . . . . . . . 7185 1 581 . 1 1 63 63 ILE HD11 H 1 0.820 0.000 . 1 . . . . . . . . 7185 1 582 . 1 1 63 63 ILE HD12 H 1 0.820 0.000 . 1 . . . . . . . . 7185 1 583 . 1 1 63 63 ILE HD13 H 1 0.820 0.000 . 1 . . . . . . . . 7185 1 584 . 1 1 63 63 ILE CA C 13 64.680 0.000 . 1 . . . . . . . . 7185 1 585 . 1 1 63 63 ILE CB C 13 37.800 0.000 . 1 . . . . . . . . 7185 1 586 . 1 1 63 63 ILE CG1 C 13 29.640 0.000 . 1 . . . . . . . . 7185 1 587 . 1 1 63 63 ILE CG2 C 13 17.380 0.000 . 1 . . . . . . . . 7185 1 588 . 1 1 63 63 ILE CD1 C 13 12.840 0.000 . 1 . . . . . . . . 7185 1 589 . 1 1 63 63 ILE N N 15 120.130 0.000 . 1 . . . . . . . . 7185 1 590 . 1 1 64 64 HIS HA H 1 4.250 0.000 . 1 . . . . . . . . 7185 1 591 . 1 1 64 64 HIS HB2 H 1 3.240 0.000 . 2 . . . . . . . . 7185 1 592 . 1 1 64 64 HIS HB3 H 1 3.000 0.000 . 2 . . . . . . . . 7185 1 593 . 1 1 64 64 HIS HD2 H 1 5.580 0.000 . 1 . . . . . . . . 7185 1 594 . 1 1 64 64 HIS CA C 13 59.340 0.000 . 1 . . . . . . . . 7185 1 595 . 1 1 64 64 HIS CB C 13 29.260 0.000 . 1 . . . . . . . . 7185 1 596 . 1 1 64 64 HIS CD2 C 13 119.980 0.000 . 1 . . . . . . . . 7185 1 597 . 1 1 64 64 HIS N N 15 119.320 0.000 . 1 . . . . . . . . 7185 1 598 . 1 1 65 65 PHE HA H 1 4.220 0.000 . 1 . . . . . . . . 7185 1 599 . 1 1 65 65 PHE HB2 H 1 3.050 0.000 . 2 . . . . . . . . 7185 1 600 . 1 1 65 65 PHE HB3 H 1 2.850 0.000 . 2 . . . . . . . . 7185 1 601 . 1 1 65 65 PHE HD1 H 1 7.220 0.000 . 1 . . . . . . . . 7185 1 602 . 1 1 65 65 PHE HE1 H 1 7.280 0.000 . 1 . . . . . . . . 7185 1 603 . 1 1 65 65 PHE CA C 13 61.330 0.000 . 1 . . . . . . . . 7185 1 604 . 1 1 65 65 PHE CB C 13 38.700 0.000 . 1 . . . . . . . . 7185 1 605 . 1 1 65 65 PHE CD1 C 13 131.600 0.000 . 1 . . . . . . . . 7185 1 606 . 1 1 65 65 PHE CE1 C 13 131.600 0.000 . 1 . . . . . . . . 7185 1 607 . 1 1 65 65 PHE N N 15 114.900 0.000 . 1 . . . . . . . . 7185 1 608 . 1 1 66 66 ARG HA H 1 4.110 0.000 . 1 . . . . . . . . 7185 1 609 . 1 1 66 66 ARG HB2 H 1 2.040 0.000 . 2 . . . . . . . . 7185 1 610 . 1 1 66 66 ARG HB3 H 1 2.000 0.000 . 2 . . . . . . . . 7185 1 611 . 1 1 66 66 ARG HG2 H 1 1.870 0.000 . 2 . . . . . . . . 7185 1 612 . 1 1 66 66 ARG HG3 H 1 1.680 0.000 . 2 . . . . . . . . 7185 1 613 . 1 1 66 66 ARG HD2 H 1 3.140 0.000 . 1 . . . . . . . . 7185 1 614 . 1 1 66 66 ARG CA C 13 59.090 0.000 . 1 . . . . . . . . 7185 1 615 . 1 1 66 66 ARG CB C 13 30.270 0.000 . 1 . . . . . . . . 7185 1 616 . 1 1 66 66 ARG CG C 13 27.150 0.000 . 1 . . . . . . . . 7185 1 617 . 1 1 66 66 ARG CD C 13 43.610 0.000 . 1 . . . . . . . . 7185 1 618 . 1 1 66 66 ARG N N 15 121.260 0.000 . 1 . . . . . . . . 7185 1 619 . 1 1 67 67 ASP HA H 1 4.600 0.000 . 1 . . . . . . . . 7185 1 620 . 1 1 67 67 ASP HB2 H 1 2.720 0.000 . 1 . . . . . . . . 7185 1 621 . 1 1 67 67 ASP CA C 13 55.730 0.000 . 1 . . . . . . . . 7185 1 622 . 1 1 67 67 ASP CB C 13 40.610 0.000 . 1 . . . . . . . . 7185 1 623 . 1 1 67 67 ASP N N 15 119.020 0.000 . 1 . . . . . . . . 7185 1 624 . 1 1 68 68 ILE HA H 1 3.810 0.000 . 1 . . . . . . . . 7185 1 625 . 1 1 68 68 ILE HB H 1 1.920 0.000 . 1 . . . . . . . . 7185 1 626 . 1 1 68 68 ILE HG12 H 1 1.390 0.000 . 2 . . . . . . . . 7185 1 627 . 1 1 68 68 ILE HG13 H 1 1.040 0.000 . 2 . . . . . . . . 7185 1 628 . 1 1 68 68 ILE HG21 H 1 0.810 0.000 . 1 . . . . . . . . 7185 1 629 . 1 1 68 68 ILE HG22 H 1 0.810 0.000 . 1 . . . . . . . . 7185 1 630 . 1 1 68 68 ILE HG23 H 1 0.810 0.000 . 1 . . . . . . . . 7185 1 631 . 1 1 68 68 ILE HD11 H 1 0.720 0.000 . 1 . . . . . . . . 7185 1 632 . 1 1 68 68 ILE HD12 H 1 0.720 0.000 . 1 . . . . . . . . 7185 1 633 . 1 1 68 68 ILE HD13 H 1 0.720 0.000 . 1 . . . . . . . . 7185 1 634 . 1 1 68 68 ILE CA C 13 63.810 0.000 . 1 . . . . . . . . 7185 1 635 . 1 1 68 68 ILE CB C 13 38.080 0.000 . 1 . . . . . . . . 7185 1 636 . 1 1 68 68 ILE CG1 C 13 28.090 0.000 . 1 . . . . . . . . 7185 1 637 . 1 1 68 68 ILE CG2 C 13 17.320 0.000 . 1 . . . . . . . . 7185 1 638 . 1 1 68 68 ILE CD1 C 13 13.500 0.000 . 1 . . . . . . . . 7185 1 639 . 1 1 68 68 ILE N N 15 120.010 0.000 . 1 . . . . . . . . 7185 1 640 . 1 1 69 69 HIS HA H 1 4.540 0.000 . 1 . . . . . . . . 7185 1 641 . 1 1 69 69 HIS HB2 H 1 3.320 0.000 . 2 . . . . . . . . 7185 1 642 . 1 1 69 69 HIS HB3 H 1 3.060 0.000 . 2 . . . . . . . . 7185 1 643 . 1 1 69 69 HIS HD2 H 1 7.110 0.000 . 1 . . . . . . . . 7185 1 644 . 1 1 69 69 HIS CA C 13 57.580 0.000 . 1 . . . . . . . . 7185 1 645 . 1 1 69 69 HIS CB C 13 30.360 0.000 . 1 . . . . . . . . 7185 1 646 . 1 1 69 69 HIS CD2 C 13 120.590 0.000 . 1 . . . . . . . . 7185 1 647 . 1 1 69 69 HIS N N 15 119.750 0.000 . 1 . . . . . . . . 7185 1 648 . 1 1 70 70 ASN HA H 1 4.530 0.000 . 1 . . . . . . . . 7185 1 649 . 1 1 70 70 ASN HB2 H 1 2.860 0.000 . 1 . . . . . . . . 7185 1 650 . 1 1 70 70 ASN CA C 13 54.050 0.000 . 1 . . . . . . . . 7185 1 651 . 1 1 70 70 ASN CB C 13 38.530 0.000 . 1 . . . . . . . . 7185 1 652 . 1 1 70 70 ASN N N 15 118.760 0.000 . 1 . . . . . . . . 7185 1 653 . 1 1 71 71 LYS HA H 1 4.220 0.000 . 1 . . . . . . . . 7185 1 654 . 1 1 71 71 LYS HB2 H 1 1.870 0.000 . 2 . . . . . . . . 7185 1 655 . 1 1 71 71 LYS HB3 H 1 1.830 0.000 . 2 . . . . . . . . 7185 1 656 . 1 1 71 71 LYS HG2 H 1 1.500 0.000 . 2 . . . . . . . . 7185 1 657 . 1 1 71 71 LYS HG3 H 1 1.420 0.000 . 2 . . . . . . . . 7185 1 658 . 1 1 71 71 LYS HD2 H 1 1.680 0.000 . 1 . . . . . . . . 7185 1 659 . 1 1 71 71 LYS HE2 H 1 2.990 0.000 . 1 . . . . . . . . 7185 1 660 . 1 1 71 71 LYS CA C 13 57.090 0.000 . 1 . . . . . . . . 7185 1 661 . 1 1 71 71 LYS CB C 13 32.520 0.000 . 1 . . . . . . . . 7185 1 662 . 1 1 71 71 LYS CG C 13 24.980 0.000 . 1 . . . . . . . . 7185 1 663 . 1 1 71 71 LYS CD C 13 29.010 0.000 . 1 . . . . . . . . 7185 1 664 . 1 1 71 71 LYS CE C 13 41.950 0.000 . 1 . . . . . . . . 7185 1 665 . 1 1 71 71 LYS N N 15 120.520 0.000 . 1 . . . . . . . . 7185 1 666 . 1 1 72 72 LYS HA H 1 4.280 0.000 . 1 . . . . . . . . 7185 1 667 . 1 1 72 72 LYS HB2 H 1 1.870 0.000 . 2 . . . . . . . . 7185 1 668 . 1 1 72 72 LYS HB3 H 1 1.830 0.000 . 2 . . . . . . . . 7185 1 669 . 1 1 72 72 LYS HG2 H 1 1.510 0.000 . 2 . . . . . . . . 7185 1 670 . 1 1 72 72 LYS HG3 H 1 1.450 0.000 . 2 . . . . . . . . 7185 1 671 . 1 1 72 72 LYS HD2 H 1 1.690 0.000 . 1 . . . . . . . . 7185 1 672 . 1 1 72 72 LYS HE2 H 1 2.990 0.000 . 1 . . . . . . . . 7185 1 673 . 1 1 72 72 LYS CA C 13 56.880 0.000 . 1 . . . . . . . . 7185 1 674 . 1 1 72 72 LYS CB C 13 32.770 0.000 . 1 . . . . . . . . 7185 1 675 . 1 1 72 72 LYS CG C 13 25.050 0.000 . 1 . . . . . . . . 7185 1 676 . 1 1 72 72 LYS CD C 13 28.960 0.000 . 1 . . . . . . . . 7185 1 677 . 1 1 72 72 LYS CE C 13 41.950 0.000 . 1 . . . . . . . . 7185 1 678 . 1 1 72 72 LYS N N 15 120.760 0.000 . 1 . . . . . . . . 7185 1 679 . 1 1 73 73 SER HA H 1 4.400 0.000 . 1 . . . . . . . . 7185 1 680 . 1 1 73 73 SER HB2 H 1 3.860 0.000 . 2 . . . . . . . . 7185 1 681 . 1 1 73 73 SER HB3 H 1 3.820 0.000 . 2 . . . . . . . . 7185 1 682 . 1 1 73 73 SER CA C 13 58.530 0.000 . 1 . . . . . . . . 7185 1 683 . 1 1 73 73 SER CB C 13 63.620 0.000 . 1 . . . . . . . . 7185 1 684 . 1 1 73 73 SER N N 15 115.850 0.000 . 1 . . . . . . . . 7185 1 685 . 1 1 74 74 GLN HA H 1 4.330 0.000 . 1 . . . . . . . . 7185 1 686 . 1 1 74 74 GLN HB2 H 1 2.150 0.000 . 2 . . . . . . . . 7185 1 687 . 1 1 74 74 GLN HB3 H 1 1.990 0.000 . 2 . . . . . . . . 7185 1 688 . 1 1 74 74 GLN HG2 H 1 2.380 0.000 . 1 . . . . . . . . 7185 1 689 . 1 1 74 74 GLN CA C 13 55.670 0.000 . 1 . . . . . . . . 7185 1 690 . 1 1 74 74 GLN CB C 13 29.470 0.000 . 1 . . . . . . . . 7185 1 691 . 1 1 74 74 GLN CG C 13 33.650 0.000 . 1 . . . . . . . . 7185 1 692 . 1 1 74 74 GLN N N 15 121.700 0.000 . 1 . . . . . . . . 7185 1 693 . 1 1 75 75 ALA HA H 1 4.360 0.000 . 1 . . . . . . . . 7185 1 694 . 1 1 75 75 ALA HB1 H 1 1.400 0.000 . 1 . . . . . . . . 7185 1 695 . 1 1 75 75 ALA HB2 H 1 1.400 0.000 . 1 . . . . . . . . 7185 1 696 . 1 1 75 75 ALA HB3 H 1 1.400 0.000 . 1 . . . . . . . . 7185 1 697 . 1 1 75 75 ALA CA C 13 52.400 0.000 . 1 . . . . . . . . 7185 1 698 . 1 1 75 75 ALA CB C 13 19.390 0.000 . 1 . . . . . . . . 7185 1 699 . 1 1 75 75 ALA N N 15 121.700 0.000 . 1 . . . . . . . . 7185 1 700 . 1 1 76 76 SER HA H 1 4.480 0.000 . 1 . . . . . . . . 7185 1 701 . 1 1 76 76 SER HB2 H 1 3.860 0.000 . 1 . . . . . . . . 7185 1 702 . 1 1 76 76 SER CA C 13 58.140 0.000 . 1 . . . . . . . . 7185 1 703 . 1 1 76 76 SER CB C 13 63.730 0.000 . 1 . . . . . . . . 7185 1 704 . 1 1 76 76 SER N N 15 115.830 0.000 . 1 . . . . . . . . 7185 1 705 . 1 1 77 77 VAL HA H 1 4.050 0.000 . 1 . . . . . . . . 7185 1 706 . 1 1 77 77 VAL HB H 1 2.080 0.000 . 1 . . . . . . . . 7185 1 707 . 1 1 77 77 VAL HG11 H 1 0.890 0.000 . 2 . . . . . . . . 7185 1 708 . 1 1 77 77 VAL HG12 H 1 0.890 0.000 . 2 . . . . . . . . 7185 1 709 . 1 1 77 77 VAL HG13 H 1 0.890 0.000 . 2 . . . . . . . . 7185 1 710 . 1 1 77 77 VAL HG21 H 1 0.860 0.000 . 2 . . . . . . . . 7185 1 711 . 1 1 77 77 VAL HG22 H 1 0.860 0.000 . 2 . . . . . . . . 7185 1 712 . 1 1 77 77 VAL HG23 H 1 0.860 0.000 . 2 . . . . . . . . 7185 1 713 . 1 1 77 77 VAL CA C 13 63.500 0.000 . 1 . . . . . . . . 7185 1 714 . 1 1 77 77 VAL CB C 13 33.210 0.000 . 1 . . . . . . . . 7185 1 715 . 1 1 77 77 VAL CG1 C 13 21.550 0.000 . 1 . . . . . . . . 7185 1 716 . 1 1 77 77 VAL CG2 C 13 20.000 0.000 . 1 . . . . . . . . 7185 1 717 . 1 1 77 77 VAL N N 15 125.290 0.000 . 1 . . . . . . . . 7185 1 stop_ save_