data_17550 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17550 _Entry.Title ; Backbone assignments of the IDOL RING domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-24 _Entry.Accession_date 2011-03-24 _Entry.Last_release_date 2011-07-05 _Entry.Original_release_date 2011-07-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 BENJAMIN GOULT . T. . 17550 2 Louise Fairall . . . 17550 3 Peter Tontonoz . . . 17550 4 John Schwabe . JW . 17550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 17550 '15N chemical shifts' 72 17550 '1H chemical shifts' 119 17550 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 . . 2011-07-05 2011-03-24 original author . 17550 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17550 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21685362 _Citation.Full_citation . _Citation.Title 'The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 12 _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 1262 _Citation.Page_last 1274 _Citation.Year 2011 _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 Li Zhang . . . 17550 1 2 Louise Fairall . . . 17550 1 3 Benjamin Goult . T. . 17550 1 4 Anna Calkin . C. . 17550 1 5 Cynthia Hong . . . 17550 1 6 Christopher Millard . J. . 17550 1 7 Peter Tontonoz . . . 17550 1 8 John Schwabe . W.R. . 17550 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IDOL 17550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17550 _Assembly.ID 1 _Assembly.Name RING _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8851 _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 RING 1 $RING A . yes native no no . . . 17550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RING _Entity.Sf_category entity _Entity.Sf_framecode RING _Entity.Entry_ID 17550 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RING _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 ; GAQQTRVLQEKLRKLKEAML CMVCCEEEINSTFCPCGHTV CCESCAAQLQSCPVCRSRVE HVQHVYLPTHTSLLNLTVI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-2 represent a non-native affinity tag' _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RING domain' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YHN . "The Idol-Ube2d Complex Mediates Sterol-Dependent Degradation Of The Ldl Receptor" . . . . . 100.00 79 100.00 100.00 5.92e-48 . . . . 17550 1 2 no PDB 2YHO . "The Idol-Ube2d Complex Mediates Sterol-Dependent Degradation Of The Ldl Receptor" . . . . . 100.00 79 100.00 100.00 5.92e-48 . . . . 17550 1 3 no DBJ BAC28868 . "unnamed protein product [Mus musculus]" . . . . . 97.47 445 98.70 98.70 1.61e-44 . . . . 17550 1 4 no DBJ BAC30716 . "unnamed protein product [Mus musculus]" . . . . . 97.47 380 98.70 98.70 5.01e-45 . . . . 17550 1 5 no DBJ BAE35115 . "unnamed protein product [Mus musculus]" . . . . . 97.47 445 98.70 98.70 1.61e-44 . . . . 17550 1 6 no DBJ BAE42721 . "unnamed protein product [Mus musculus]" . . . . . 97.47 445 98.70 98.70 1.57e-44 . . . . 17550 1 7 no DBJ BAG37209 . "unnamed protein product [Homo sapiens]" . . . . . 97.47 445 100.00 100.00 3.98e-45 . . . . 17550 1 8 no GB AAF18974 . "myosin regulatory light chain interacting protein MIR [Homo sapiens]" . . . . . 97.47 445 100.00 100.00 3.90e-45 . . . . 17550 1 9 no GB AAG23789 . "PP5242 [Homo sapiens]" . . . . . 97.47 445 100.00 100.00 3.86e-45 . . . . 17550 1 10 no GB AAH02860 . "Myosin regulatory light chain interacting protein [Homo sapiens]" . . . . . 97.47 445 100.00 100.00 3.90e-45 . . . . 17550 1 11 no GB AAH10206 . "Myosin regulatory light chain interacting protein [Mus musculus]" . . . . . 97.47 445 98.70 98.70 1.24e-44 . . . . 17550 1 12 no GB AAP35704 . "myosin regulatory light chain interacting protein [Homo sapiens]" . . . . . 97.47 445 100.00 100.00 3.90e-45 . . . . 17550 1 13 no REF NP_001100814 . "E3 ubiquitin-protein ligase MYLIP [Rattus norvegicus]" . . . . . 97.47 445 100.00 100.00 4.15e-45 . . . . 17550 1 14 no REF NP_001267155 . "E3 ubiquitin-protein ligase MYLIP [Pan troglodytes]" . . . . . 97.47 445 98.70 98.70 1.88e-44 . . . . 17550 1 15 no REF NP_037394 . "E3 ubiquitin-protein ligase MYLIP [Homo sapiens]" . . . . . 97.47 445 100.00 100.00 3.90e-45 . . . . 17550 1 16 no REF NP_722484 . "E3 ubiquitin-protein ligase MYLIP [Mus musculus]" . . . . . 97.47 445 98.70 98.70 1.61e-44 . . . . 17550 1 17 no REF XP_002746247 . "PREDICTED: E3 ubiquitin-protein ligase MYLIP isoform X1 [Callithrix jacchus]" . . . . . 97.47 445 97.40 97.40 7.18e-44 . . . . 17550 1 18 no SP D3ZDI6 . "RecName: Full=E3 ubiquitin-protein ligase MYLIP; AltName: Full=Inducible degrader of the LDL-receptor; Short=Idol; AltName: Ful" . . . . . 97.47 445 100.00 100.00 4.15e-45 . . . . 17550 1 19 no SP Q8BM54 . "RecName: Full=E3 ubiquitin-protein ligase MYLIP; AltName: Full=Inducible degrader of the LDL-receptor; Short=Idol; AltName: Ful" . . . . . 97.47 445 98.70 98.70 1.61e-44 . . . . 17550 1 20 no SP Q8WY64 . "RecName: Full=E3 ubiquitin-protein ligase MYLIP; AltName: Full=Inducible degrader of the LDL-receptor; Short=Idol; AltName: Ful" . . . . . 97.47 445 100.00 100.00 3.90e-45 . . . . 17550 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 0 GLY . 17550 1 2 1 ALA . 17550 1 3 2 GLN . 17550 1 4 3 GLN . 17550 1 5 4 THR . 17550 1 6 5 ARG . 17550 1 7 6 VAL . 17550 1 8 7 LEU . 17550 1 9 8 GLN . 17550 1 10 9 GLU . 17550 1 11 10 LYS . 17550 1 12 11 LEU . 17550 1 13 12 ARG . 17550 1 14 13 LYS . 17550 1 15 14 LEU . 17550 1 16 15 LYS . 17550 1 17 16 GLU . 17550 1 18 17 ALA . 17550 1 19 18 MET . 17550 1 20 19 LEU . 17550 1 21 20 CYS . 17550 1 22 21 MET . 17550 1 23 22 VAL . 17550 1 24 23 CYS . 17550 1 25 24 CYS . 17550 1 26 25 GLU . 17550 1 27 26 GLU . 17550 1 28 27 GLU . 17550 1 29 28 ILE . 17550 1 30 29 ASN . 17550 1 31 30 SER . 17550 1 32 31 THR . 17550 1 33 32 PHE . 17550 1 34 33 CYS . 17550 1 35 34 PRO . 17550 1 36 35 CYS . 17550 1 37 36 GLY . 17550 1 38 37 HIS . 17550 1 39 38 THR . 17550 1 40 39 VAL . 17550 1 41 40 CYS . 17550 1 42 41 CYS . 17550 1 43 42 GLU . 17550 1 44 43 SER . 17550 1 45 44 CYS . 17550 1 46 45 ALA . 17550 1 47 46 ALA . 17550 1 48 47 GLN . 17550 1 49 48 LEU . 17550 1 50 49 GLN . 17550 1 51 50 SER . 17550 1 52 51 CYS . 17550 1 53 52 PRO . 17550 1 54 53 VAL . 17550 1 55 54 CYS . 17550 1 56 55 ARG . 17550 1 57 56 SER . 17550 1 58 57 ARG . 17550 1 59 58 VAL . 17550 1 60 59 GLU . 17550 1 61 60 HIS . 17550 1 62 61 VAL . 17550 1 63 62 GLN . 17550 1 64 63 HIS . 17550 1 65 64 VAL . 17550 1 66 65 TYR . 17550 1 67 66 LEU . 17550 1 68 67 PRO . 17550 1 69 68 THR . 17550 1 70 69 HIS . 17550 1 71 70 THR . 17550 1 72 71 SER . 17550 1 73 72 LEU . 17550 1 74 73 LEU . 17550 1 75 74 ASN . 17550 1 76 75 LEU . 17550 1 77 76 THR . 17550 1 78 77 VAL . 17550 1 79 78 ILE . 17550 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 17550 1 . ALA 2 2 17550 1 . GLN 3 3 17550 1 . GLN 4 4 17550 1 . THR 5 5 17550 1 . ARG 6 6 17550 1 . VAL 7 7 17550 1 . LEU 8 8 17550 1 . GLN 9 9 17550 1 . GLU 10 10 17550 1 . LYS 11 11 17550 1 . LEU 12 12 17550 1 . ARG 13 13 17550 1 . LYS 14 14 17550 1 . LEU 15 15 17550 1 . LYS 16 16 17550 1 . GLU 17 17 17550 1 . ALA 18 18 17550 1 . MET 19 19 17550 1 . LEU 20 20 17550 1 . CYS 21 21 17550 1 . MET 22 22 17550 1 . VAL 23 23 17550 1 . CYS 24 24 17550 1 . CYS 25 25 17550 1 . GLU 26 26 17550 1 . GLU 27 27 17550 1 . GLU 28 28 17550 1 . ILE 29 29 17550 1 . ASN 30 30 17550 1 . SER 31 31 17550 1 . THR 32 32 17550 1 . PHE 33 33 17550 1 . CYS 34 34 17550 1 . PRO 35 35 17550 1 . CYS 36 36 17550 1 . GLY 37 37 17550 1 . HIS 38 38 17550 1 . THR 39 39 17550 1 . VAL 40 40 17550 1 . CYS 41 41 17550 1 . CYS 42 42 17550 1 . GLU 43 43 17550 1 . SER 44 44 17550 1 . CYS 45 45 17550 1 . ALA 46 46 17550 1 . ALA 47 47 17550 1 . GLN 48 48 17550 1 . LEU 49 49 17550 1 . GLN 50 50 17550 1 . SER 51 51 17550 1 . CYS 52 52 17550 1 . PRO 53 53 17550 1 . VAL 54 54 17550 1 . CYS 55 55 17550 1 . ARG 56 56 17550 1 . SER 57 57 17550 1 . ARG 58 58 17550 1 . VAL 59 59 17550 1 . GLU 60 60 17550 1 . HIS 61 61 17550 1 . VAL 62 62 17550 1 . GLN 63 63 17550 1 . HIS 64 64 17550 1 . VAL 65 65 17550 1 . TYR 66 66 17550 1 . LEU 67 67 17550 1 . PRO 68 68 17550 1 . THR 69 69 17550 1 . HIS 70 70 17550 1 . THR 71 71 17550 1 . SER 72 72 17550 1 . LEU 73 73 17550 1 . LEU 74 74 17550 1 . ASN 75 75 17550 1 . LEU 76 76 17550 1 . THR 77 77 17550 1 . VAL 78 78 17550 1 . ILE 79 79 17550 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 17550 _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 $RING . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17550 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 17550 _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 $RING . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta . . . . . . . . . . . . . . . pLEICS-7 . . . . . . 17550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17550 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RING '[U-100% 13C; U-100% 15N]' . . 1 $RING . . 0.6 . . mM 0.05 . . . 17550 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 17550 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 0.1 . . . 17550 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17550 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17550 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17550 _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' 100 0.1 mM 17550 1 pH 6.5 0.1 pH 17550 1 pressure 1 . atm 17550 1 temperature 298 0.1 K 17550 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17550 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17550 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17550 1 processing 17550 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17550 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17550 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17550 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 17550 _Software.ID 3 _Software.Name CCPN _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17550 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17550 3 'data analysis' 17550 3 'peak picking' 17550 3 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 17550 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17550 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17550 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 'with cryoprobe' . . 17550 1 2 spectrometer_2 Bruker DRX . 600 'with cryoprobe' . . 17550 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 17550 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17550 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17550 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17550 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17550 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17550 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17550 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17550 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 17550 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17550 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17550 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17550 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 17550 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17550 1 2 '2D 1H-13C HSQC' . . . 17550 1 3 '3D HNCO' . . . 17550 1 3 '3D HNCO' . . . 17550 1 4 '3D CBCA(CO)NH' . . . 17550 1 5 '3D HNCA' . . . 17550 1 6 '3D HNCACB' . . . 17550 1 7 '3D HN(CO)CA' . . . 17550 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA C C 13 178.663 0.2 . 1 . . . . 1 ALA C . 17550 1 2 . 1 1 2 2 ALA CA C 13 53.515 0.2 . 1 . . . . 1 ALA CA . 17550 1 3 . 1 1 2 2 ALA CB C 13 19.113 0.2 . 1 . . . . 1 ALA CB . 17550 1 4 . 1 1 3 3 GLN H H 1 8.689 0.02 . 1 . . . . 2 GLN H . 17550 1 5 . 1 1 3 3 GLN C C 13 177.032 0.2 . 1 . . . . 2 GLN C . 17550 1 6 . 1 1 3 3 GLN CA C 13 57.574 0.2 . 1 . . . . 2 GLN CA . 17550 1 7 . 1 1 3 3 GLN CB C 13 28.470 0.2 . 1 . . . . 2 GLN CB . 17550 1 8 . 1 1 3 3 GLN N N 15 119.310 0.2 . 1 . . . . 2 GLN N . 17550 1 9 . 1 1 4 4 GLN H H 1 8.259 0.02 . 1 . . . . 3 GLN H . 17550 1 10 . 1 1 4 4 GLN C C 13 177.791 0.2 . 1 . . . . 3 GLN C . 17550 1 11 . 1 1 4 4 GLN CA C 13 58.042 0.2 . 1 . . . . 3 GLN CA . 17550 1 12 . 1 1 4 4 GLN CB C 13 28.588 0.2 . 1 . . . . 3 GLN CB . 17550 1 13 . 1 1 4 4 GLN N N 15 119.896 0.2 . 1 . . . . 3 GLN N . 17550 1 14 . 1 1 5 5 THR H H 1 8.094 0.02 . 1 . . . . 4 THR H . 17550 1 15 . 1 1 5 5 THR C C 13 175.313 0.2 . 1 . . . . 4 THR C . 17550 1 16 . 1 1 5 5 THR CA C 13 65.763 0.2 . 1 . . . . 4 THR CA . 17550 1 17 . 1 1 5 5 THR CB C 13 68.866 0.2 . 1 . . . . 4 THR CB . 17550 1 18 . 1 1 5 5 THR N N 15 115.750 0.2 . 1 . . . . 4 THR N . 17550 1 19 . 1 1 6 6 ARG H H 1 8.016 0.02 . 1 . . . . 5 ARG H . 17550 1 20 . 1 1 6 6 ARG C C 13 178.403 0.2 . 1 . . . . 5 ARG C . 17550 1 21 . 1 1 6 6 ARG CA C 13 58.983 0.2 . 1 . . . . 5 ARG CA . 17550 1 22 . 1 1 6 6 ARG CB C 13 29.720 0.2 . 1 . . . . 5 ARG CB . 17550 1 23 . 1 1 6 6 ARG N N 15 121.348 0.2 . 1 . . . . 5 ARG N . 17550 1 24 . 1 1 7 7 VAL H H 1 7.705 0.02 . 1 . . . . 6 VAL H . 17550 1 25 . 1 1 7 7 VAL C C 13 178.500 0.2 . 1 . . . . 6 VAL C . 17550 1 26 . 1 1 7 7 VAL CA C 13 65.934 0.2 . 1 . . . . 6 VAL CA . 17550 1 27 . 1 1 7 7 VAL CB C 13 31.775 0.2 . 1 . . . . 6 VAL CB . 17550 1 28 . 1 1 7 7 VAL N N 15 119.325 0.2 . 1 . . . . 6 VAL N . 17550 1 29 . 1 1 8 8 LEU H H 1 7.794 0.02 . 1 . . . . 7 LEU H . 17550 1 30 . 1 1 8 8 LEU C C 13 177.524 0.2 . 1 . . . . 7 LEU C . 17550 1 31 . 1 1 8 8 LEU CA C 13 58.029 0.2 . 1 . . . . 7 LEU CA . 17550 1 32 . 1 1 8 8 LEU CB C 13 42.003 0.2 . 1 . . . . 7 LEU CB . 17550 1 33 . 1 1 8 8 LEU N N 15 120.543 0.2 . 1 . . . . 7 LEU N . 17550 1 34 . 1 1 9 9 GLN H H 1 7.853 0.02 . 1 . . . . 8 GLN H . 17550 1 35 . 1 1 9 9 GLN C C 13 179.443 0.2 . 1 . . . . 8 GLN C . 17550 1 36 . 1 1 9 9 GLN CA C 13 59.782 0.2 . 1 . . . . 8 GLN CA . 17550 1 37 . 1 1 9 9 GLN CB C 13 31.955 0.2 . 1 . . . . 8 GLN CB . 17550 1 38 . 1 1 9 9 GLN N N 15 117.855 0.2 . 1 . . . . 8 GLN N . 17550 1 39 . 1 1 10 10 GLU H H 1 8.031 0.02 . 1 . . . . 9 GLU H . 17550 1 40 . 1 1 10 10 GLU C C 13 178.624 0.2 . 1 . . . . 9 GLU C . 17550 1 41 . 1 1 10 10 GLU CA C 13 59.083 0.2 . 1 . . . . 9 GLU CA . 17550 1 42 . 1 1 10 10 GLU CB C 13 29.488 0.2 . 1 . . . . 9 GLU CB . 17550 1 43 . 1 1 10 10 GLU N N 15 117.476 0.2 . 1 . . . . 9 GLU N . 17550 1 44 . 1 1 11 11 LYS H H 1 7.991 0.02 . 1 . . . . 10 LYS H . 17550 1 45 . 1 1 11 11 LYS C C 13 179.360 0.2 . 1 . . . . 10 LYS C . 17550 1 46 . 1 1 11 11 LYS CA C 13 59.717 0.2 . 1 . . . . 10 LYS CA . 17550 1 47 . 1 1 11 11 LYS CB C 13 32.379 0.2 . 1 . . . . 10 LYS CB . 17550 1 48 . 1 1 11 11 LYS N N 15 119.588 0.2 . 1 . . . . 10 LYS N . 17550 1 49 . 1 1 12 12 LEU H H 1 8.086 0.02 . 1 . . . . 11 LEU H . 17550 1 50 . 1 1 12 12 LEU C C 13 178.405 0.2 . 1 . . . . 11 LEU C . 17550 1 51 . 1 1 12 12 LEU CA C 13 57.917 0.2 . 1 . . . . 11 LEU CA . 17550 1 52 . 1 1 12 12 LEU CB C 13 41.571 0.2 . 1 . . . . 11 LEU CB . 17550 1 53 . 1 1 12 12 LEU N N 15 118.796 0.2 . 1 . . . . 11 LEU N . 17550 1 54 . 1 1 13 13 ARG H H 1 8.135 0.02 . 1 . . . . 12 ARG H . 17550 1 55 . 1 1 13 13 ARG C C 13 178.840 0.2 . 1 . . . . 12 ARG C . 17550 1 56 . 1 1 13 13 ARG CA C 13 59.897 0.2 . 1 . . . . 12 ARG CA . 17550 1 57 . 1 1 13 13 ARG CB C 13 29.694 0.2 . 1 . . . . 12 ARG CB . 17550 1 58 . 1 1 13 13 ARG N N 15 120.353 0.2 . 1 . . . . 12 ARG N . 17550 1 59 . 1 1 14 14 LYS H H 1 8.001 0.02 . 1 . . . . 13 LYS H . 17550 1 60 . 1 1 14 14 LYS C C 13 179.545 0.2 . 1 . . . . 13 LYS C . 17550 1 61 . 1 1 14 14 LYS CA C 13 58.894 0.2 . 1 . . . . 13 LYS CA . 17550 1 62 . 1 1 14 14 LYS CB C 13 31.890 0.2 . 1 . . . . 13 LYS CB . 17550 1 63 . 1 1 14 14 LYS N N 15 118.251 0.2 . 1 . . . . 13 LYS N . 17550 1 64 . 1 1 15 15 LEU H H 1 7.757 0.02 . 1 . . . . 14 LEU H . 17550 1 65 . 1 1 15 15 LEU C C 13 178.537 0.2 . 1 . . . . 14 LEU C . 17550 1 66 . 1 1 15 15 LEU CA C 13 58.039 0.2 . 1 . . . . 14 LEU CA . 17550 1 67 . 1 1 15 15 LEU CB C 13 41.890 0.2 . 1 . . . . 14 LEU CB . 17550 1 68 . 1 1 15 15 LEU N N 15 121.458 0.2 . 1 . . . . 14 LEU N . 17550 1 69 . 1 1 16 16 LYS H H 1 8.387 0.02 . 1 . . . . 15 LYS H . 17550 1 70 . 1 1 16 16 LYS C C 13 178.937 0.2 . 1 . . . . 15 LYS C . 17550 1 71 . 1 1 16 16 LYS CA C 13 59.545 0.2 . 1 . . . . 15 LYS CA . 17550 1 72 . 1 1 16 16 LYS CB C 13 28.355 0.2 . 1 . . . . 15 LYS CB . 17550 1 73 . 1 1 16 16 LYS N N 15 117.615 0.2 . 1 . . . . 15 LYS N . 17550 1 74 . 1 1 17 17 GLU H H 1 8.080 0.02 . 1 . . . . 16 GLU H . 17550 1 75 . 1 1 17 17 GLU C C 13 178.744 0.2 . 1 . . . . 16 GLU C . 17550 1 76 . 1 1 17 17 GLU CA C 13 59.162 0.2 . 1 . . . . 16 GLU CA . 17550 1 77 . 1 1 17 17 GLU CB C 13 29.338 0.2 . 1 . . . . 16 GLU CB . 17550 1 78 . 1 1 17 17 GLU N N 15 119.855 0.2 . 1 . . . . 16 GLU N . 17550 1 79 . 1 1 18 18 ALA H H 1 7.653 0.02 . 1 . . . . 17 ALA H . 17550 1 80 . 1 1 18 18 ALA C C 13 177.326 0.2 . 1 . . . . 17 ALA C . 17550 1 81 . 1 1 18 18 ALA CA C 13 53.641 0.2 . 1 . . . . 17 ALA CA . 17550 1 82 . 1 1 18 18 ALA CB C 13 18.412 0.2 . 1 . . . . 17 ALA CB . 17550 1 83 . 1 1 18 18 ALA N N 15 120.775 0.2 . 1 . . . . 17 ALA N . 17550 1 84 . 1 1 19 19 MET H H 1 7.167 0.02 . 1 . . . . 18 MET H . 17550 1 85 . 1 1 19 19 MET C C 13 175.284 0.2 . 1 . . . . 18 MET C . 17550 1 86 . 1 1 19 19 MET CA C 13 54.443 0.2 . 1 . . . . 18 MET CA . 17550 1 87 . 1 1 19 19 MET CB C 13 32.295 0.2 . 1 . . . . 18 MET CB . 17550 1 88 . 1 1 19 19 MET N N 15 112.421 0.2 . 1 . . . . 18 MET N . 17550 1 89 . 1 1 20 20 LEU H H 1 7.137 0.02 . 1 . . . . 19 LEU H . 17550 1 90 . 1 1 20 20 LEU C C 13 175.457 0.2 . 1 . . . . 19 LEU C . 17550 1 91 . 1 1 20 20 LEU CA C 13 54.029 0.2 . 1 . . . . 19 LEU CA . 17550 1 92 . 1 1 20 20 LEU CB C 13 43.659 0.2 . 1 . . . . 19 LEU CB . 17550 1 93 . 1 1 20 20 LEU N N 15 119.731 0.2 . 1 . . . . 19 LEU N . 17550 1 94 . 1 1 21 21 CYS H H 1 8.599 0.02 . 1 . . . . 20 CYS H . 17550 1 95 . 1 1 21 21 CYS C C 13 177.361 0.2 . 1 . . . . 20 CYS C . 17550 1 96 . 1 1 21 21 CYS CA C 13 59.593 0.2 . 1 . . . . 20 CYS CA . 17550 1 97 . 1 1 21 21 CYS CB C 13 32.508 0.2 . 1 . . . . 20 CYS CB . 17550 1 98 . 1 1 21 21 CYS N N 15 122.405 0.2 . 1 . . . . 20 CYS N . 17550 1 99 . 1 1 22 22 MET H H 1 8.807 0.02 . 1 . . . . 21 MET H . 17550 1 100 . 1 1 22 22 MET C C 13 175.417 0.2 . 1 . . . . 21 MET C . 17550 1 101 . 1 1 22 22 MET CA C 13 58.256 0.2 . 1 . . . . 21 MET CA . 17550 1 102 . 1 1 22 22 MET CB C 13 33.059 0.2 . 1 . . . . 21 MET CB . 17550 1 103 . 1 1 22 22 MET N N 15 126.512 0.2 . 1 . . . . 21 MET N . 17550 1 104 . 1 1 23 23 VAL H H 1 9.108 0.02 . 1 . . . . 22 VAL H . 17550 1 105 . 1 1 23 23 VAL C C 13 176.590 0.2 . 1 . . . . 22 VAL C . 17550 1 106 . 1 1 23 23 VAL CA C 13 65.434 0.2 . 1 . . . . 22 VAL CA . 17550 1 107 . 1 1 23 23 VAL CB C 13 31.468 0.2 . 1 . . . . 22 VAL CB . 17550 1 108 . 1 1 23 23 VAL N N 15 123.528 0.2 . 1 . . . . 22 VAL N . 17550 1 109 . 1 1 24 24 CYS H H 1 8.339 0.02 . 1 . . . . 23 CYS H . 17550 1 110 . 1 1 24 24 CYS C C 13 176.016 0.2 . 1 . . . . 23 CYS C . 17550 1 111 . 1 1 24 24 CYS CA C 13 59.592 0.2 . 1 . . . . 23 CYS CA . 17550 1 112 . 1 1 24 24 CYS CB C 13 31.616 0.2 . 1 . . . . 23 CYS CB . 17550 1 113 . 1 1 24 24 CYS N N 15 118.274 0.2 . 1 . . . . 23 CYS N . 17550 1 114 . 1 1 25 25 CYS H H 1 7.698 0.02 . 1 . . . . 24 CYS H . 17550 1 115 . 1 1 25 25 CYS C C 13 173.744 0.2 . 1 . . . . 24 CYS C . 17550 1 116 . 1 1 25 25 CYS CA C 13 60.225 0.2 . 1 . . . . 24 CYS CA . 17550 1 117 . 1 1 25 25 CYS CB C 13 25.989 0.2 . 1 . . . . 24 CYS CB . 17550 1 118 . 1 1 25 25 CYS N N 15 115.815 0.2 . 1 . . . . 24 CYS N . 17550 1 119 . 1 1 26 26 GLU H H 1 8.064 0.02 . 1 . . . . 25 GLU H . 17550 1 120 . 1 1 26 26 GLU C C 13 174.966 0.2 . 1 . . . . 25 GLU C . 17550 1 121 . 1 1 26 26 GLU CA C 13 57.270 0.2 . 1 . . . . 25 GLU CA . 17550 1 122 . 1 1 26 26 GLU CB C 13 33.404 0.2 . 1 . . . . 25 GLU CB . 17550 1 123 . 1 1 26 26 GLU N N 15 117.174 0.2 . 1 . . . . 25 GLU N . 17550 1 124 . 1 1 27 27 GLU H H 1 7.022 0.02 . 1 . . . . 26 GLU H . 17550 1 125 . 1 1 27 27 GLU C C 13 174.689 0.2 . 1 . . . . 26 GLU C . 17550 1 126 . 1 1 27 27 GLU CA C 13 54.290 0.2 . 1 . . . . 26 GLU CA . 17550 1 127 . 1 1 27 27 GLU CB C 13 32.516 0.2 . 1 . . . . 26 GLU CB . 17550 1 128 . 1 1 27 27 GLU N N 15 119.569 0.2 . 1 . . . . 26 GLU N . 17550 1 129 . 1 1 28 28 GLU H H 1 8.583 0.02 . 1 . . . . 27 GLU H . 17550 1 130 . 1 1 28 28 GLU C C 13 175.837 0.2 . 1 . . . . 27 GLU C . 17550 1 131 . 1 1 28 28 GLU CA C 13 56.438 0.2 . 1 . . . . 27 GLU CA . 17550 1 132 . 1 1 28 28 GLU CB C 13 31.067 0.2 . 1 . . . . 27 GLU CB . 17550 1 133 . 1 1 28 28 GLU N N 15 122.403 0.2 . 1 . . . . 27 GLU N . 17550 1 134 . 1 1 29 29 ILE H H 1 8.294 0.02 . 1 . . . . 28 ILE H . 17550 1 135 . 1 1 29 29 ILE HG21 H 1 0.678 0.02 . 1 . . . . 28 ILE HG21 . 17550 1 136 . 1 1 29 29 ILE HG22 H 1 0.678 0.02 . 1 . . . . 28 ILE HG22 . 17550 1 137 . 1 1 29 29 ILE HG23 H 1 0.678 0.02 . 1 . . . . 28 ILE HG23 . 17550 1 138 . 1 1 29 29 ILE HD11 H 1 0.872 0.02 . 1 . . . . 28 ILE HD11 . 17550 1 139 . 1 1 29 29 ILE HD12 H 1 0.872 0.02 . 1 . . . . 28 ILE HD12 . 17550 1 140 . 1 1 29 29 ILE HD13 H 1 0.872 0.02 . 1 . . . . 28 ILE HD13 . 17550 1 141 . 1 1 29 29 ILE C C 13 176.125 0.2 . 1 . . . . 28 ILE C . 17550 1 142 . 1 1 29 29 ILE CA C 13 63.880 0.2 . 1 . . . . 28 ILE CA . 17550 1 143 . 1 1 29 29 ILE CB C 13 39.047 0.2 . 1 . . . . 28 ILE CB . 17550 1 144 . 1 1 29 29 ILE CG2 C 13 17.065 0.2 . 1 . . . . 28 ILE CG2 . 17550 1 145 . 1 1 29 29 ILE CD1 C 13 15.200 0.2 . 1 . . . . 28 ILE CD1 . 17550 1 146 . 1 1 29 29 ILE N N 15 123.343 0.2 . 1 . . . . 28 ILE N . 17550 1 147 . 1 1 30 30 ASN H H 1 7.265 0.02 . 1 . . . . 29 ASN H . 17550 1 148 . 1 1 30 30 ASN C C 13 173.955 0.2 . 1 . . . . 29 ASN C . 17550 1 149 . 1 1 30 30 ASN CA C 13 52.485 0.2 . 1 . . . . 29 ASN CA . 17550 1 150 . 1 1 30 30 ASN CB C 13 37.430 0.2 . 1 . . . . 29 ASN CB . 17550 1 151 . 1 1 30 30 ASN N N 15 122.938 0.2 . 1 . . . . 29 ASN N . 17550 1 152 . 1 1 31 31 SER H H 1 7.339 0.02 . 1 . . . . 30 SER H . 17550 1 153 . 1 1 31 31 SER C C 13 171.305 0.2 . 1 . . . . 30 SER C . 17550 1 154 . 1 1 31 31 SER CA C 13 57.889 0.2 . 1 . . . . 30 SER CA . 17550 1 155 . 1 1 31 31 SER CB C 13 67.180 0.2 . 1 . . . . 30 SER CB . 17550 1 156 . 1 1 31 31 SER N N 15 111.557 0.2 . 1 . . . . 30 SER N . 17550 1 157 . 1 1 32 32 THR H H 1 9.055 0.02 . 1 . . . . 31 THR H . 17550 1 158 . 1 1 32 32 THR C C 13 173.594 0.2 . 1 . . . . 31 THR C . 17550 1 159 . 1 1 32 32 THR CA C 13 61.179 0.2 . 1 . . . . 31 THR CA . 17550 1 160 . 1 1 32 32 THR CB C 13 70.977 0.2 . 1 . . . . 31 THR CB . 17550 1 161 . 1 1 32 32 THR N N 15 120.603 0.2 . 1 . . . . 31 THR N . 17550 1 162 . 1 1 33 33 PHE H H 1 8.095 0.02 . 1 . . . . 32 PHE H . 17550 1 163 . 1 1 33 33 PHE C C 13 173.810 0.2 . 1 . . . . 32 PHE C . 17550 1 164 . 1 1 33 33 PHE CA C 13 57.887 0.2 . 1 . . . . 32 PHE CA . 17550 1 165 . 1 1 33 33 PHE CB C 13 40.294 0.2 . 1 . . . . 32 PHE CB . 17550 1 166 . 1 1 33 33 PHE N N 15 125.143 0.2 . 1 . . . . 32 PHE N . 17550 1 167 . 1 1 34 34 CYS H H 1 8.546 0.02 . 1 . . . . 33 CYS H . 17550 1 168 . 1 1 34 34 CYS CA C 13 55.291 0.2 . 1 . . . . 33 CYS CA . 17550 1 169 . 1 1 34 34 CYS CB C 13 28.573 0.2 . 1 . . . . 33 CYS CB . 17550 1 170 . 1 1 34 34 CYS N N 15 120.227 0.2 . 1 . . . . 33 CYS N . 17550 1 171 . 1 1 35 35 PRO C C 13 178.763 0.2 . 1 . . . . 34 PRO C . 17550 1 172 . 1 1 35 35 PRO CA C 13 64.429 0.2 . 1 . . . . 34 PRO CA . 17550 1 173 . 1 1 35 35 PRO CB C 13 35.670 0.2 . 1 . . . . 34 PRO CB . 17550 1 174 . 1 1 36 36 CYS H H 1 8.843 0.02 . 1 . . . . 35 CYS H . 17550 1 175 . 1 1 36 36 CYS C C 13 176.861 0.2 . 1 . . . . 35 CYS C . 17550 1 176 . 1 1 36 36 CYS CA C 13 63.039 0.2 . 1 . . . . 35 CYS CA . 17550 1 177 . 1 1 36 36 CYS CB C 13 30.105 0.2 . 1 . . . . 35 CYS CB . 17550 1 178 . 1 1 36 36 CYS N N 15 125.381 0.2 . 1 . . . . 35 CYS N . 17550 1 179 . 1 1 37 37 GLY H H 1 9.041 0.02 . 1 . . . . 36 GLY H . 17550 1 180 . 1 1 37 37 GLY C C 13 176.932 0.2 . 1 . . . . 36 GLY C . 17550 1 181 . 1 1 37 37 GLY CA C 13 46.819 0.2 . 1 . . . . 36 GLY CA . 17550 1 182 . 1 1 37 37 GLY N N 15 110.828 0.2 . 1 . . . . 36 GLY N . 17550 1 183 . 1 1 38 38 HIS H H 1 9.044 0.02 . 1 . . . . 37 HIS H . 17550 1 184 . 1 1 38 38 HIS C C 13 174.535 0.2 . 1 . . . . 37 HIS C . 17550 1 185 . 1 1 38 38 HIS CA C 13 64.041 0.2 . 1 . . . . 37 HIS CA . 17550 1 186 . 1 1 38 38 HIS CB C 13 29.722 0.2 . 1 . . . . 37 HIS CB . 17550 1 187 . 1 1 38 38 HIS N N 15 125.204 0.2 . 1 . . . . 37 HIS N . 17550 1 188 . 1 1 39 39 THR H H 1 8.798 0.02 . 1 . . . . 38 THR H . 17550 1 189 . 1 1 39 39 THR C C 13 173.367 0.2 . 1 . . . . 38 THR C . 17550 1 190 . 1 1 39 39 THR CB C 13 69.599 0.2 . 1 . . . . 38 THR CB . 17550 1 191 . 1 1 39 39 THR N N 15 126.299 0.2 . 1 . . . . 38 THR N . 17550 1 192 . 1 1 40 40 VAL H H 1 7.900 0.02 . 1 . . . . 39 VAL H . 17550 1 193 . 1 1 40 40 VAL C C 13 174.830 0.2 . 1 . . . . 39 VAL C . 17550 1 194 . 1 1 40 40 VAL CA C 13 60.544 0.2 . 1 . . . . 39 VAL CA . 17550 1 195 . 1 1 40 40 VAL CB C 13 35.364 0.2 . 1 . . . . 39 VAL CB . 17550 1 196 . 1 1 40 40 VAL N N 15 110.207 0.2 . 1 . . . . 39 VAL N . 17550 1 197 . 1 1 41 41 CYS H H 1 7.810 0.02 . 1 . . . . 40 CYS H . 17550 1 198 . 1 1 41 41 CYS C C 13 175.214 0.2 . 1 . . . . 40 CYS C . 17550 1 199 . 1 1 41 41 CYS CA C 13 57.672 0.2 . 1 . . . . 40 CYS CA . 17550 1 200 . 1 1 41 41 CYS CB C 13 33.625 0.2 . 1 . . . . 40 CYS CB . 17550 1 201 . 1 1 41 41 CYS N N 15 118.544 0.2 . 1 . . . . 40 CYS N . 17550 1 202 . 1 1 42 42 CYS H H 1 9.475 0.02 . 1 . . . . 41 CYS H . 17550 1 203 . 1 1 42 42 CYS C C 13 176.068 0.2 . 1 . . . . 41 CYS C . 17550 1 204 . 1 1 42 42 CYS CA C 13 57.818 0.2 . 1 . . . . 41 CYS CA . 17550 1 205 . 1 1 42 42 CYS CB C 13 32.628 0.2 . 1 . . . . 41 CYS CB . 17550 1 206 . 1 1 42 42 CYS N N 15 122.329 0.2 . 1 . . . . 41 CYS N . 17550 1 207 . 1 1 43 43 GLU H H 1 8.678 0.02 . 1 . . . . 42 GLU H . 17550 1 208 . 1 1 43 43 GLU C C 13 178.048 0.2 . 1 . . . . 42 GLU C . 17550 1 209 . 1 1 43 43 GLU CA C 13 59.857 0.2 . 1 . . . . 42 GLU CA . 17550 1 210 . 1 1 43 43 GLU CB C 13 30.036 0.2 . 1 . . . . 42 GLU CB . 17550 1 211 . 1 1 43 43 GLU N N 15 121.708 0.2 . 1 . . . . 42 GLU N . 17550 1 212 . 1 1 44 44 SER H H 1 7.991 0.02 . 1 . . . . 43 SER H . 17550 1 213 . 1 1 44 44 SER C C 13 177.750 0.2 . 1 . . . . 43 SER C . 17550 1 214 . 1 1 44 44 SER CA C 13 61.700 0.2 . 1 . . . . 43 SER CA . 17550 1 215 . 1 1 44 44 SER CB C 13 62.681 0.2 . 1 . . . . 43 SER CB . 17550 1 216 . 1 1 44 44 SER N N 15 114.513 0.2 . 1 . . . . 43 SER N . 17550 1 217 . 1 1 45 45 CYS H H 1 8.581 0.02 . 1 . . . . 44 CYS H . 17550 1 218 . 1 1 45 45 CYS C C 13 179.068 0.2 . 1 . . . . 44 CYS C . 17550 1 219 . 1 1 45 45 CYS CA C 13 64.316 0.2 . 1 . . . . 44 CYS CA . 17550 1 220 . 1 1 45 45 CYS CB C 13 29.613 0.2 . 1 . . . . 44 CYS CB . 17550 1 221 . 1 1 45 45 CYS N N 15 124.555 0.2 . 1 . . . . 44 CYS N . 17550 1 222 . 1 1 46 46 ALA H H 1 8.799 0.02 . 1 . . . . 45 ALA H . 17550 1 223 . 1 1 46 46 ALA HA H 1 4.056 0.02 . 1 . . . . 45 ALA HA . 17550 1 224 . 1 1 46 46 ALA HB1 H 1 1.195 0.02 . 1 . . . . 45 ALA HB1 . 17550 1 225 . 1 1 46 46 ALA HB2 H 1 1.195 0.02 . 1 . . . . 45 ALA HB2 . 17550 1 226 . 1 1 46 46 ALA HB3 H 1 1.195 0.02 . 1 . . . . 45 ALA HB3 . 17550 1 227 . 1 1 46 46 ALA C C 13 179.228 0.2 . 1 . . . . 45 ALA C . 17550 1 228 . 1 1 46 46 ALA CA C 13 55.165 0.2 . 1 . . . . 45 ALA CA . 17550 1 229 . 1 1 46 46 ALA CB C 13 20.074 0.2 . 1 . . . . 45 ALA CB . 17550 1 230 . 1 1 46 46 ALA N N 15 120.264 0.2 . 1 . . . . 45 ALA N . 17550 1 231 . 1 1 47 47 ALA H H 1 7.559 0.02 . 1 . . . . 46 ALA H . 17550 1 232 . 1 1 47 47 ALA HA H 1 4.054 0.02 . 1 . . . . 46 ALA HA . 17550 1 233 . 1 1 47 47 ALA HB1 H 1 1.496 0.02 . 1 . . . . 46 ALA HB1 . 17550 1 234 . 1 1 47 47 ALA HB2 H 1 1.496 0.02 . 1 . . . . 46 ALA HB2 . 17550 1 235 . 1 1 47 47 ALA HB3 H 1 1.496 0.02 . 1 . . . . 46 ALA HB3 . 17550 1 236 . 1 1 47 47 ALA C C 13 178.229 0.2 . 1 . . . . 46 ALA C . 17550 1 237 . 1 1 47 47 ALA CA C 13 54.016 0.2 . 1 . . . . 46 ALA CA . 17550 1 238 . 1 1 47 47 ALA CB C 13 18.735 0.2 . 1 . . . . 46 ALA CB . 17550 1 239 . 1 1 47 47 ALA N N 15 115.072 0.2 . 1 . . . . 46 ALA N . 17550 1 240 . 1 1 48 48 GLN H H 1 7.286 0.02 . 1 . . . . 47 GLN H . 17550 1 241 . 1 1 48 48 GLN C C 13 175.944 0.2 . 1 . . . . 47 GLN C . 17550 1 242 . 1 1 48 48 GLN CA C 13 55.164 0.2 . 1 . . . . 47 GLN CA . 17550 1 243 . 1 1 48 48 GLN CB C 13 29.640 0.2 . 1 . . . . 47 GLN CB . 17550 1 244 . 1 1 48 48 GLN N N 15 112.556 0.2 . 1 . . . . 47 GLN N . 17550 1 245 . 1 1 49 49 LEU H H 1 7.246 0.02 . 1 . . . . 48 LEU H . 17550 1 246 . 1 1 49 49 LEU C C 13 175.829 0.2 . 1 . . . . 48 LEU C . 17550 1 247 . 1 1 49 49 LEU CA C 13 54.548 0.2 . 1 . . . . 48 LEU CA . 17550 1 248 . 1 1 49 49 LEU CB C 13 42.888 0.2 . 1 . . . . 48 LEU CB . 17550 1 249 . 1 1 49 49 LEU N N 15 120.340 0.2 . 1 . . . . 48 LEU N . 17550 1 250 . 1 1 50 50 GLN H H 1 8.494 0.02 . 1 . . . . 49 GLN H . 17550 1 251 . 1 1 50 50 GLN C C 13 176.183 0.2 . 1 . . . . 49 GLN C . 17550 1 252 . 1 1 50 50 GLN CA C 13 56.175 0.2 . 1 . . . . 49 GLN CA . 17550 1 253 . 1 1 50 50 GLN CB C 13 29.631 0.2 . 1 . . . . 49 GLN CB . 17550 1 254 . 1 1 50 50 GLN N N 15 118.937 0.2 . 1 . . . . 49 GLN N . 17550 1 255 . 1 1 51 51 SER H H 1 7.293 0.02 . 1 . . . . 50 SER H . 17550 1 256 . 1 1 51 51 SER C C 13 172.012 0.2 . 1 . . . . 50 SER C . 17550 1 257 . 1 1 51 51 SER CA C 13 56.039 0.2 . 1 . . . . 50 SER CA . 17550 1 258 . 1 1 51 51 SER CB C 13 65.168 0.2 . 1 . . . . 50 SER CB . 17550 1 259 . 1 1 51 51 SER N N 15 113.234 0.2 . 1 . . . . 50 SER N . 17550 1 260 . 1 1 52 52 CYS H H 1 8.570 0.02 . 1 . . . . 51 CYS H . 17550 1 261 . 1 1 52 52 CYS CA C 13 56.037 0.2 . 1 . . . . 51 CYS CA . 17550 1 262 . 1 1 52 52 CYS CB C 13 31.315 0.2 . 1 . . . . 51 CYS CB . 17550 1 263 . 1 1 52 52 CYS N N 15 127.183 0.2 . 1 . . . . 51 CYS N . 17550 1 264 . 1 1 53 53 PRO C C 13 176.297 0.2 . 1 . . . . 52 PRO C . 17550 1 265 . 1 1 53 53 PRO CA C 13 64.161 0.2 . 1 . . . . 52 PRO CA . 17550 1 266 . 1 1 53 53 PRO CB C 13 31.991 0.2 . 1 . . . . 52 PRO CB . 17550 1 267 . 1 1 54 54 VAL H H 1 9.075 0.02 . 1 . . . . 53 VAL H . 17550 1 268 . 1 1 54 54 VAL C C 13 176.788 0.2 . 1 . . . . 53 VAL C . 17550 1 269 . 1 1 54 54 VAL CA C 13 64.963 0.2 . 1 . . . . 53 VAL CA . 17550 1 270 . 1 1 54 54 VAL CB C 13 32.857 0.2 . 1 . . . . 53 VAL CB . 17550 1 271 . 1 1 54 54 VAL N N 15 121.380 0.2 . 1 . . . . 53 VAL N . 17550 1 272 . 1 1 55 55 CYS H H 1 8.206 0.02 . 1 . . . . 54 CYS H . 17550 1 273 . 1 1 55 55 CYS C C 13 175.837 0.2 . 1 . . . . 54 CYS C . 17550 1 274 . 1 1 55 55 CYS CA C 13 58.020 0.2 . 1 . . . . 54 CYS CA . 17550 1 275 . 1 1 55 55 CYS CB C 13 32.934 0.2 . 1 . . . . 54 CYS CB . 17550 1 276 . 1 1 55 55 CYS N N 15 117.844 0.2 . 1 . . . . 54 CYS N . 17550 1 277 . 1 1 56 56 ARG H H 1 7.975 0.02 . 1 . . . . 55 ARG H . 17550 1 278 . 1 1 56 56 ARG C C 13 175.233 0.2 . 1 . . . . 55 ARG C . 17550 1 279 . 1 1 56 56 ARG CA C 13 58.035 0.2 . 1 . . . . 55 ARG CA . 17550 1 280 . 1 1 56 56 ARG CB C 13 26.475 0.2 . 1 . . . . 55 ARG CB . 17550 1 281 . 1 1 56 56 ARG N N 15 117.503 0.2 . 1 . . . . 55 ARG N . 17550 1 282 . 1 1 57 57 SER H H 1 8.297 0.02 . 1 . . . . 56 SER H . 17550 1 283 . 1 1 57 57 SER C C 13 174.107 0.2 . 1 . . . . 56 SER C . 17550 1 284 . 1 1 57 57 SER CA C 13 59.812 0.2 . 1 . . . . 56 SER CA . 17550 1 285 . 1 1 57 57 SER CB C 13 63.673 0.2 . 1 . . . . 56 SER CB . 17550 1 286 . 1 1 57 57 SER N N 15 117.508 0.2 . 1 . . . . 56 SER N . 17550 1 287 . 1 1 58 58 ARG H H 1 8.639 0.02 . 1 . . . . 57 ARG H . 17550 1 288 . 1 1 58 58 ARG C C 13 176.762 0.2 . 1 . . . . 57 ARG C . 17550 1 289 . 1 1 58 58 ARG CA C 13 57.308 0.2 . 1 . . . . 57 ARG CA . 17550 1 290 . 1 1 58 58 ARG CB C 13 29.838 0.2 . 1 . . . . 57 ARG CB . 17550 1 291 . 1 1 58 58 ARG N N 15 125.269 0.2 . 1 . . . . 57 ARG N . 17550 1 292 . 1 1 59 59 VAL H H 1 7.846 0.02 . 1 . . . . 58 VAL H . 17550 1 293 . 1 1 59 59 VAL C C 13 175.932 0.2 . 1 . . . . 58 VAL C . 17550 1 294 . 1 1 59 59 VAL CA C 13 62.530 0.2 . 1 . . . . 58 VAL CA . 17550 1 295 . 1 1 59 59 VAL CB C 13 32.574 0.2 . 1 . . . . 58 VAL CB . 17550 1 296 . 1 1 59 59 VAL N N 15 127.159 0.2 . 1 . . . . 58 VAL N . 17550 1 297 . 1 1 60 60 GLU H H 1 9.268 0.02 . 1 . . . . 59 GLU H . 17550 1 298 . 1 1 60 60 GLU C C 13 177.007 0.2 . 1 . . . . 59 GLU C . 17550 1 299 . 1 1 60 60 GLU CA C 13 57.955 0.2 . 1 . . . . 59 GLU CA . 17550 1 300 . 1 1 60 60 GLU CB C 13 30.231 0.2 . 1 . . . . 59 GLU CB . 17550 1 301 . 1 1 60 60 GLU N N 15 129.373 0.2 . 1 . . . . 59 GLU N . 17550 1 302 . 1 1 61 61 HIS H H 1 7.810 0.02 . 1 . . . . 60 HIS H . 17550 1 303 . 1 1 61 61 HIS C C 13 171.661 0.2 . 1 . . . . 60 HIS C . 17550 1 304 . 1 1 61 61 HIS CA C 13 55.433 0.2 . 1 . . . . 60 HIS CA . 17550 1 305 . 1 1 61 61 HIS CB C 13 31.482 0.2 . 1 . . . . 60 HIS CB . 17550 1 306 . 1 1 61 61 HIS N N 15 112.895 0.2 . 1 . . . . 60 HIS N . 17550 1 307 . 1 1 62 62 VAL H H 1 8.463 0.02 . 1 . . . . 61 VAL H . 17550 1 308 . 1 1 62 62 VAL C C 13 174.342 0.2 . 1 . . . . 61 VAL C . 17550 1 309 . 1 1 62 62 VAL CA C 13 61.718 0.2 . 1 . . . . 61 VAL CA . 17550 1 310 . 1 1 62 62 VAL CB C 13 32.828 0.2 . 1 . . . . 61 VAL CB . 17550 1 311 . 1 1 62 62 VAL N N 15 123.654 0.2 . 1 . . . . 61 VAL N . 17550 1 312 . 1 1 63 63 GLN H H 1 8.568 0.02 . 1 . . . . 62 GLN H . 17550 1 313 . 1 1 63 63 GLN C C 13 174.312 0.2 . 1 . . . . 62 GLN C . 17550 1 314 . 1 1 63 63 GLN CA C 13 52.164 0.2 . 1 . . . . 62 GLN CA . 17550 1 315 . 1 1 63 63 GLN CB C 13 31.601 0.2 . 1 . . . . 62 GLN CB . 17550 1 316 . 1 1 63 63 GLN N N 15 128.515 0.2 . 1 . . . . 62 GLN N . 17550 1 317 . 1 1 64 64 HIS H H 1 9.196 0.02 . 1 . . . . 63 HIS H . 17550 1 318 . 1 1 64 64 HIS C C 13 174.090 0.2 . 1 . . . . 63 HIS C . 17550 1 319 . 1 1 64 64 HIS CA C 13 57.019 0.2 . 1 . . . . 63 HIS CA . 17550 1 320 . 1 1 64 64 HIS CB C 13 28.179 0.2 . 1 . . . . 63 HIS CB . 17550 1 321 . 1 1 64 64 HIS N N 15 130.053 0.2 . 1 . . . . 63 HIS N . 17550 1 322 . 1 1 65 65 VAL H H 1 7.467 0.02 . 1 . . . . 64 VAL H . 17550 1 323 . 1 1 65 65 VAL C C 13 173.949 0.2 . 1 . . . . 64 VAL C . 17550 1 324 . 1 1 65 65 VAL CA C 13 59.318 0.2 . 1 . . . . 64 VAL CA . 17550 1 325 . 1 1 65 65 VAL CB C 13 35.336 0.2 . 1 . . . . 64 VAL CB . 17550 1 326 . 1 1 65 65 VAL N N 15 120.821 0.2 . 1 . . . . 64 VAL N . 17550 1 327 . 1 1 66 66 TYR H H 1 7.568 0.02 . 1 . . . . 65 TYR H . 17550 1 328 . 1 1 66 66 TYR C C 13 176.112 0.2 . 1 . . . . 65 TYR C . 17550 1 329 . 1 1 66 66 TYR CA C 13 56.645 0.2 . 1 . . . . 65 TYR CA . 17550 1 330 . 1 1 66 66 TYR CB C 13 38.449 0.2 . 1 . . . . 65 TYR CB . 17550 1 331 . 1 1 66 66 TYR N N 15 121.836 0.2 . 1 . . . . 65 TYR N . 17550 1 332 . 1 1 67 67 LEU H H 1 8.570 0.02 . 1 . . . . 66 LEU H . 17550 1 333 . 1 1 67 67 LEU CA C 13 53.109 0.2 . 1 . . . . 66 LEU CA . 17550 1 334 . 1 1 67 67 LEU CB C 13 41.775 0.2 . 1 . . . . 66 LEU CB . 17550 1 335 . 1 1 67 67 LEU N N 15 124.738 0.2 . 1 . . . . 66 LEU N . 17550 1 336 . 1 1 70 70 HIS H H 1 7.726 0.02 . 1 . . . . 69 HIS H . 17550 1 337 . 1 1 70 70 HIS N N 15 120.249 0.2 . 1 . . . . 69 HIS N . 17550 1 338 . 1 1 72 72 SER C C 13 175.702 0.2 . 1 . . . . 71 SER C . 17550 1 339 . 1 1 72 72 SER CA C 13 63.367 0.2 . 1 . . . . 71 SER CA . 17550 1 340 . 1 1 73 73 LEU H H 1 7.923 0.02 . 1 . . . . 72 LEU H . 17550 1 341 . 1 1 73 73 LEU C C 13 177.988 0.2 . 1 . . . . 72 LEU C . 17550 1 342 . 1 1 73 73 LEU CA C 13 56.426 0.2 . 1 . . . . 72 LEU CA . 17550 1 343 . 1 1 73 73 LEU CB C 13 42.002 0.2 . 1 . . . . 72 LEU CB . 17550 1 344 . 1 1 73 73 LEU N N 15 121.759 0.2 . 1 . . . . 72 LEU N . 17550 1 345 . 1 1 74 74 LEU H H 1 7.587 0.02 . 1 . . . . 73 LEU H . 17550 1 346 . 1 1 74 74 LEU C C 13 177.341 0.2 . 1 . . . . 73 LEU C . 17550 1 347 . 1 1 74 74 LEU CA C 13 56.203 0.2 . 1 . . . . 73 LEU CA . 17550 1 348 . 1 1 74 74 LEU CB C 13 41.943 0.2 . 1 . . . . 73 LEU CB . 17550 1 349 . 1 1 74 74 LEU N N 15 119.005 0.2 . 1 . . . . 73 LEU N . 17550 1 350 . 1 1 75 75 ASN H H 1 7.824 0.02 . 1 . . . . 74 ASN H . 17550 1 351 . 1 1 75 75 ASN HA H 1 4.615 0.02 . 1 . . . . 74 ASN HA . 17550 1 352 . 1 1 75 75 ASN HB2 H 1 2.815 0.02 . 1 . . . . 74 ASN HB2 . 17550 1 353 . 1 1 75 75 ASN HB3 H 1 2.675 0.02 . 1 . . . . 74 ASN HB3 . 17550 1 354 . 1 1 75 75 ASN HD21 H 1 7.546 0.02 . 1 . . . . 74 ASN HD21 . 17550 1 355 . 1 1 75 75 ASN HD22 H 1 6.882 0.02 . 1 . . . . 74 ASN HD22 . 17550 1 356 . 1 1 75 75 ASN C C 13 175.277 0.2 . 1 . . . . 74 ASN C . 17550 1 357 . 1 1 75 75 ASN CA C 13 53.472 0.2 . 1 . . . . 74 ASN CA . 17550 1 358 . 1 1 75 75 ASN CB C 13 38.635 0.2 . 1 . . . . 74 ASN CB . 17550 1 359 . 1 1 75 75 ASN N N 15 116.706 0.2 . 1 . . . . 74 ASN N . 17550 1 360 . 1 1 75 75 ASN ND2 N 15 112.636 0.2 . 1 . . . . 74 ASN ND2 . 17550 1 361 . 1 1 76 76 LEU H H 1 7.837 0.02 . 1 . . . . 75 LEU H . 17550 1 362 . 1 1 76 76 LEU HA H 1 4.270 0.02 . 1 . . . . 75 LEU HA . 17550 1 363 . 1 1 76 76 LEU HB2 H 1 1.639 0.02 . 1 . . . . 75 LEU HB2 . 17550 1 364 . 1 1 76 76 LEU HB3 H 1 1.557 0.02 . 1 . . . . 75 LEU HB3 . 17550 1 365 . 1 1 76 76 LEU HD11 H 1 0.805 0.02 . 1 . . . . 75 LEU HD11 . 17550 1 366 . 1 1 76 76 LEU HD12 H 1 0.805 0.02 . 1 . . . . 75 LEU HD12 . 17550 1 367 . 1 1 76 76 LEU HD13 H 1 0.805 0.02 . 1 . . . . 75 LEU HD13 . 17550 1 368 . 1 1 76 76 LEU C C 13 176.659 0.2 . 1 . . . . 75 LEU C . 17550 1 369 . 1 1 76 76 LEU CA C 13 55.392 0.2 . 1 . . . . 75 LEU CA . 17550 1 370 . 1 1 76 76 LEU CB C 13 42.328 0.2 . 1 . . . . 75 LEU CB . 17550 1 371 . 1 1 76 76 LEU CD1 C 13 25.410 0.2 . 1 . . . . 75 LEU CD1 . 17550 1 372 . 1 1 76 76 LEU N N 15 121.294 0.2 . 1 . . . . 75 LEU N . 17550 1 373 . 1 1 77 77 THR H H 1 7.914 0.02 . 1 . . . . 76 THR H . 17550 1 374 . 1 1 77 77 THR HA H 1 4.217 0.02 . 1 . . . . 76 THR HA . 17550 1 375 . 1 1 77 77 THR HB H 1 4.149 0.02 . 1 . . . . 76 THR HB . 17550 1 376 . 1 1 77 77 THR HG21 H 1 1.111 0.02 . 1 . . . . 76 THR HG21 . 17550 1 377 . 1 1 77 77 THR HG22 H 1 1.111 0.02 . 1 . . . . 76 THR HG22 . 17550 1 378 . 1 1 77 77 THR HG23 H 1 1.111 0.02 . 1 . . . . 76 THR HG23 . 17550 1 379 . 1 1 77 77 THR C C 13 174.112 0.2 . 1 . . . . 76 THR C . 17550 1 380 . 1 1 77 77 THR CA C 13 62.455 0.2 . 1 . . . . 76 THR CA . 17550 1 381 . 1 1 77 77 THR CB C 13 69.688 0.2 . 1 . . . . 76 THR CB . 17550 1 382 . 1 1 77 77 THR CG2 C 13 21.716 0.2 . 1 . . . . 76 THR CG2 . 17550 1 383 . 1 1 77 77 THR N N 15 113.888 0.2 . 1 . . . . 76 THR N . 17550 1 384 . 1 1 78 78 VAL H H 1 7.879 0.02 . 1 . . . . 77 VAL H . 17550 1 385 . 1 1 78 78 VAL HA H 1 4.093 0.02 . 1 . . . . 77 VAL HA . 17550 1 386 . 1 1 78 78 VAL HB H 1 2.015 0.02 . 1 . . . . 77 VAL HB . 17550 1 387 . 1 1 78 78 VAL HG11 H 1 0.827 0.02 . 1 . . . . 77 VAL HG11 . 17550 1 388 . 1 1 78 78 VAL HG12 H 1 0.827 0.02 . 1 . . . . 77 VAL HG12 . 17550 1 389 . 1 1 78 78 VAL HG13 H 1 0.827 0.02 . 1 . . . . 77 VAL HG13 . 17550 1 390 . 1 1 78 78 VAL HG21 H 1 0.826 0.02 . 1 . . . . 77 VAL HG21 . 17550 1 391 . 1 1 78 78 VAL HG22 H 1 0.826 0.02 . 1 . . . . 77 VAL HG22 . 17550 1 392 . 1 1 78 78 VAL HG23 H 1 0.826 0.02 . 1 . . . . 77 VAL HG23 . 17550 1 393 . 1 1 78 78 VAL C C 13 174.701 0.2 . 1 . . . . 77 VAL C . 17550 1 394 . 1 1 78 78 VAL CA C 13 62.239 0.2 . 1 . . . . 77 VAL CA . 17550 1 395 . 1 1 78 78 VAL CB C 13 32.728 0.2 . 1 . . . . 77 VAL CB . 17550 1 396 . 1 1 78 78 VAL CG1 C 13 21.323 0.2 . 1 . . . . 77 VAL CG1 . 17550 1 397 . 1 1 78 78 VAL CG2 C 13 20.520 0.2 . 1 . . . . 77 VAL CG2 . 17550 1 398 . 1 1 78 78 VAL N N 15 121.717 0.2 . 1 . . . . 77 VAL N . 17550 1 399 . 1 1 79 79 ILE H H 1 7.592 0.02 . 1 . . . . 78 ILE H . 17550 1 400 . 1 1 79 79 ILE HA H 1 3.967 0.02 . 1 . . . . 78 ILE HA . 17550 1 401 . 1 1 79 79 ILE HB H 1 1.714 0.02 . 1 . . . . 78 ILE HB . 17550 1 402 . 1 1 79 79 ILE HG12 H 1 1.347 0.02 . 1 . . . . 78 ILE HG12 . 17550 1 403 . 1 1 79 79 ILE HG13 H 1 1.026 0.02 . 1 . . . . 78 ILE HG13 . 17550 1 404 . 1 1 79 79 ILE HG21 H 1 0.798 0.02 . 1 . . . . 78 ILE HG21 . 17550 1 405 . 1 1 79 79 ILE HG22 H 1 0.798 0.02 . 1 . . . . 78 ILE HG22 . 17550 1 406 . 1 1 79 79 ILE HG23 H 1 0.798 0.02 . 1 . . . . 78 ILE HG23 . 17550 1 407 . 1 1 79 79 ILE HD11 H 1 0.763 0.02 . 1 . . . . 78 ILE HD11 . 17550 1 408 . 1 1 79 79 ILE HD12 H 1 0.763 0.02 . 1 . . . . 78 ILE HD12 . 17550 1 409 . 1 1 79 79 ILE HD13 H 1 0.763 0.02 . 1 . . . . 78 ILE HD13 . 17550 1 410 . 1 1 79 79 ILE CA C 13 62.868 0.2 . 1 . . . . 78 ILE CA . 17550 1 411 . 1 1 79 79 ILE CB C 13 39.565 0.2 . 1 . . . . 78 ILE CB . 17550 1 412 . 1 1 79 79 ILE CG1 C 13 27.362 0.2 . 1 . . . . 78 ILE CG1 . 17550 1 413 . 1 1 79 79 ILE CG2 C 13 18.197 0.2 . 1 . . . . 78 ILE CG2 . 17550 1 414 . 1 1 79 79 ILE CD1 C 13 13.603 0.2 . 1 . . . . 78 ILE CD1 . 17550 1 415 . 1 1 79 79 ILE N N 15 128.294 0.2 . 1 . . . . 78 ILE N . 17550 1 stop_ save_