data_11260 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11260 _Entry.Title ; Solution Structure of UBA domain of Human Ubiquitin Associated Protein 1 (UBAP1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 C. Zhao . . . 11260 2 T. Tomizawa . . . 11260 3 S. Koshiba . . . 11260 4 M. Inoue . . . 11260 5 T. Kigawa . . . 11260 6 S. Yokoyama . . . 11260 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11260 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11260 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 11260 '15N chemical shifts' 57 11260 '1H chemical shifts' 387 11260 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 . . 2011-08-17 2010-08-09 original author . 11260 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGN 'BMRB Entry Tracking System' 11260 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11260 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of UBA domain of Human Ubiquitin Associated Protein 1 (UBAP1)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 C. Zhao . . . 11260 1 2 T. Tomizawa . . . 11260 1 3 S. Koshiba . . . 11260 1 4 M. Inoue . . . 11260 1 5 T. Kigawa . . . 11260 1 6 S. Yokoyama . . . 11260 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11260 _Assembly.ID 1 _Assembly.Name 'ubiquitin associated protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UBA domain' 1 $entity_1 A . yes native no no . . . 11260 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 1wgn . . . . . . 11260 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11260 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBA domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAYSELQMLSPSER QCVETVVNMGYSYECVLRAM KKKGENIEQILDYLFAHSGP SSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WGN . "Solution Structure Of Uba Domain Of Human Ubiquitin Associated Protein 1 (Ubap1)" . . . . . 100.00 63 100.00 100.00 1.03e-36 . . . . 11260 1 2 no DBJ BAC11162 . "unnamed protein product [Homo sapiens]" . . . . . 79.37 401 100.00 100.00 1.13e-26 . . . . 11260 1 3 no DBJ BAC11176 . "unnamed protein product [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.11e-26 . . . . 11260 1 4 no DBJ BAC11224 . "unnamed protein product [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 5 no DBJ BAC11323 . "unnamed protein product [Homo sapiens]" . . . . . 79.37 502 98.00 98.00 5.08e-25 . . . . 11260 1 6 no DBJ BAC11342 . "unnamed protein product [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 7 no EMBL CAB66667 . "hypothetical protein [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 8 no EMBL CAG38582 . "UBAP1 [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 2.73e-26 . . . . 11260 1 9 no EMBL CAL38740 . "hypothetical protein [synthetic construct]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 10 no GB AAF37827 . "ubiquitin-associated protein [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 11 no GB AAH20950 . "Ubiquitin associated protein 1 [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 12 no GB AAH98141 . "Ubiquitin associated protein 1 [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 13 no GB AAH98316 . "Ubiquitin associated protein 1 [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 14 no GB AAH99726 . "Ubiquitin associated protein 1 [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 15 no REF NP_001164672 . "ubiquitin-associated protein 1 isoform 2 [Homo sapiens]" . . . . . 79.37 566 100.00 100.00 9.43e-26 . . . . 11260 1 16 no REF NP_001164673 . "ubiquitin-associated protein 1 isoform 3 [Homo sapiens]" . . . . . 79.37 538 100.00 100.00 6.69e-26 . . . . 11260 1 17 no REF NP_001164674 . "ubiquitin-associated protein 1 isoform 1 [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 18 no REF NP_001164675 . "ubiquitin-associated protein 1 isoform 1 [Homo sapiens]" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 19 no REF NP_001253443 . "ubiquitin-associated protein 1 [Macaca mulatta]" . . . . . 79.37 502 100.00 100.00 3.15e-26 . . . . 11260 1 20 no SP Q9NZ09 . "RecName: Full=Ubiquitin-associated protein 1; Short=UBAP-1; AltName: Full=Nasopharyngeal carcinoma-associated gene 20 protein" . . . . . 79.37 502 100.00 100.00 3.05e-26 . . . . 11260 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBA domain' . 11260 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 . GLY . 11260 1 2 . SER . 11260 1 3 . SER . 11260 1 4 . GLY . 11260 1 5 . SER . 11260 1 6 . SER . 11260 1 7 . GLY . 11260 1 8 . ALA . 11260 1 9 . TYR . 11260 1 10 . SER . 11260 1 11 . GLU . 11260 1 12 . LEU . 11260 1 13 . GLN . 11260 1 14 . MET . 11260 1 15 . LEU . 11260 1 16 . SER . 11260 1 17 . PRO . 11260 1 18 . SER . 11260 1 19 . GLU . 11260 1 20 . ARG . 11260 1 21 . GLN . 11260 1 22 . CYS . 11260 1 23 . VAL . 11260 1 24 . GLU . 11260 1 25 . THR . 11260 1 26 . VAL . 11260 1 27 . VAL . 11260 1 28 . ASN . 11260 1 29 . MET . 11260 1 30 . GLY . 11260 1 31 . TYR . 11260 1 32 . SER . 11260 1 33 . TYR . 11260 1 34 . GLU . 11260 1 35 . CYS . 11260 1 36 . VAL . 11260 1 37 . LEU . 11260 1 38 . ARG . 11260 1 39 . ALA . 11260 1 40 . MET . 11260 1 41 . LYS . 11260 1 42 . LYS . 11260 1 43 . LYS . 11260 1 44 . GLY . 11260 1 45 . GLU . 11260 1 46 . ASN . 11260 1 47 . ILE . 11260 1 48 . GLU . 11260 1 49 . GLN . 11260 1 50 . ILE . 11260 1 51 . LEU . 11260 1 52 . ASP . 11260 1 53 . TYR . 11260 1 54 . LEU . 11260 1 55 . PHE . 11260 1 56 . ALA . 11260 1 57 . HIS . 11260 1 58 . SER . 11260 1 59 . GLY . 11260 1 60 . PRO . 11260 1 61 . SER . 11260 1 62 . SER . 11260 1 63 . GLY . 11260 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 11260 1 . SER 2 2 11260 1 . SER 3 3 11260 1 . GLY 4 4 11260 1 . SER 5 5 11260 1 . SER 6 6 11260 1 . GLY 7 7 11260 1 . ALA 8 8 11260 1 . TYR 9 9 11260 1 . SER 10 10 11260 1 . GLU 11 11 11260 1 . LEU 12 12 11260 1 . GLN 13 13 11260 1 . MET 14 14 11260 1 . LEU 15 15 11260 1 . SER 16 16 11260 1 . PRO 17 17 11260 1 . SER 18 18 11260 1 . GLU 19 19 11260 1 . ARG 20 20 11260 1 . GLN 21 21 11260 1 . CYS 22 22 11260 1 . VAL 23 23 11260 1 . GLU 24 24 11260 1 . THR 25 25 11260 1 . VAL 26 26 11260 1 . VAL 27 27 11260 1 . ASN 28 28 11260 1 . MET 29 29 11260 1 . GLY 30 30 11260 1 . TYR 31 31 11260 1 . SER 32 32 11260 1 . TYR 33 33 11260 1 . GLU 34 34 11260 1 . CYS 35 35 11260 1 . VAL 36 36 11260 1 . LEU 37 37 11260 1 . ARG 38 38 11260 1 . ALA 39 39 11260 1 . MET 40 40 11260 1 . LYS 41 41 11260 1 . LYS 42 42 11260 1 . LYS 43 43 11260 1 . GLY 44 44 11260 1 . GLU 45 45 11260 1 . ASN 46 46 11260 1 . ILE 47 47 11260 1 . GLU 48 48 11260 1 . GLN 49 49 11260 1 . ILE 50 50 11260 1 . LEU 51 51 11260 1 . ASP 52 52 11260 1 . TYR 53 53 11260 1 . LEU 54 54 11260 1 . PHE 55 55 11260 1 . ALA 56 56 11260 1 . HIS 57 57 11260 1 . SER 58 58 11260 1 . GLY 59 59 11260 1 . PRO 60 60 11260 1 . SER 61 61 11260 1 . SER 62 62 11260 1 . GLY 63 63 11260 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 11260 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11260 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 11260 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040301-63 . . . . . . 11260 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11260 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O' _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 'UBA domain' . . . 1 $entity_1 . protein . . . mM . . . . 11260 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11260 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11260 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11260 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11260 1 6 H2O . . . . . . solvent 90 . . % . . . . 11260 1 7 D2O . . . . . . solvent 10 . . % . . . . 11260 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11260 _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 11260 1 pH 7.0 0.05 pH 11260 1 pressure 1 0.001 atm 11260 1 temperature 298.0 0.1 K 11260 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11260 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11260 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11260 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11260 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11260 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11260 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11260 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11260 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11260 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11260 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11260 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11260 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11260 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11260 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11260 5 'structure solution' 11260 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11260 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11260 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11260 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 11260 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11260 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11260 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11260 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11260 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11260 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11260 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11260 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11260 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11260 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11260 1 2 $NMRPipe . . 11260 1 3 $NMRview . . 11260 1 4 $Kujira . . 11260 1 5 $CYANA . . 11260 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 6 6 SER HA H 1 4.442 0.030 . 1 . . . . 6 SER HA . 11260 1 2 . 1 1 6 6 SER HB2 H 1 3.905 0.030 . 1 . . . . 6 SER HB2 . 11260 1 3 . 1 1 6 6 SER HB3 H 1 3.905 0.030 . 1 . . . . 6 SER HB3 . 11260 1 4 . 1 1 6 6 SER C C 13 175.294 0.300 . 1 . . . . 6 SER C . 11260 1 5 . 1 1 6 6 SER CA C 13 58.861 0.300 . 1 . . . . 6 SER CA . 11260 1 6 . 1 1 6 6 SER CB C 13 63.839 0.300 . 1 . . . . 6 SER CB . 11260 1 7 . 1 1 7 7 GLY H H 1 8.428 0.030 . 1 . . . . 7 GLY H . 11260 1 8 . 1 1 7 7 GLY HA2 H 1 3.932 0.030 . 1 . . . . 7 GLY HA2 . 11260 1 9 . 1 1 7 7 GLY HA3 H 1 3.932 0.030 . 1 . . . . 7 GLY HA3 . 11260 1 10 . 1 1 7 7 GLY C C 13 174.254 0.300 . 1 . . . . 7 GLY C . 11260 1 11 . 1 1 7 7 GLY CA C 13 45.539 0.300 . 1 . . . . 7 GLY CA . 11260 1 12 . 1 1 7 7 GLY N N 15 110.872 0.300 . 1 . . . . 7 GLY N . 11260 1 13 . 1 1 8 8 ALA H H 1 8.133 0.030 . 1 . . . . 8 ALA H . 11260 1 14 . 1 1 8 8 ALA HA H 1 4.197 0.030 . 1 . . . . 8 ALA HA . 11260 1 15 . 1 1 8 8 ALA HB1 H 1 1.220 0.030 . 1 . . . . 8 ALA HB . 11260 1 16 . 1 1 8 8 ALA HB2 H 1 1.220 0.030 . 1 . . . . 8 ALA HB . 11260 1 17 . 1 1 8 8 ALA HB3 H 1 1.220 0.030 . 1 . . . . 8 ALA HB . 11260 1 18 . 1 1 8 8 ALA C C 13 177.681 0.300 . 1 . . . . 8 ALA C . 11260 1 19 . 1 1 8 8 ALA CA C 13 53.055 0.300 . 1 . . . . 8 ALA CA . 11260 1 20 . 1 1 8 8 ALA CB C 13 18.950 0.300 . 1 . . . . 8 ALA CB . 11260 1 21 . 1 1 8 8 ALA N N 15 123.635 0.300 . 1 . . . . 8 ALA N . 11260 1 22 . 1 1 9 9 TYR H H 1 8.054 0.030 . 1 . . . . 9 TYR H . 11260 1 23 . 1 1 9 9 TYR HA H 1 4.275 0.030 . 1 . . . . 9 TYR HA . 11260 1 24 . 1 1 9 9 TYR HB2 H 1 2.945 0.030 . 1 . . . . 9 TYR HB2 . 11260 1 25 . 1 1 9 9 TYR HB3 H 1 2.945 0.030 . 1 . . . . 9 TYR HB3 . 11260 1 26 . 1 1 9 9 TYR HD1 H 1 6.976 0.030 . 1 . . . . 9 TYR HD1 . 11260 1 27 . 1 1 9 9 TYR HD2 H 1 6.976 0.030 . 1 . . . . 9 TYR HD2 . 11260 1 28 . 1 1 9 9 TYR HE1 H 1 6.750 0.030 . 1 . . . . 9 TYR HE1 . 11260 1 29 . 1 1 9 9 TYR HE2 H 1 6.750 0.030 . 1 . . . . 9 TYR HE2 . 11260 1 30 . 1 1 9 9 TYR C C 13 176.954 0.300 . 1 . . . . 9 TYR C . 11260 1 31 . 1 1 9 9 TYR CA C 13 59.372 0.300 . 1 . . . . 9 TYR CA . 11260 1 32 . 1 1 9 9 TYR CB C 13 38.177 0.300 . 1 . . . . 9 TYR CB . 11260 1 33 . 1 1 9 9 TYR CD1 C 13 133.002 0.300 . 1 . . . . 9 TYR CD1 . 11260 1 34 . 1 1 9 9 TYR CD2 C 13 133.002 0.300 . 1 . . . . 9 TYR CD2 . 11260 1 35 . 1 1 9 9 TYR CE1 C 13 118.194 0.300 . 1 . . . . 9 TYR CE1 . 11260 1 36 . 1 1 9 9 TYR CE2 C 13 118.194 0.300 . 1 . . . . 9 TYR CE2 . 11260 1 37 . 1 1 9 9 TYR N N 15 118.475 0.300 . 1 . . . . 9 TYR N . 11260 1 38 . 1 1 10 10 SER H H 1 8.151 0.030 . 1 . . . . 10 SER H . 11260 1 39 . 1 1 10 10 SER HA H 1 4.187 0.030 . 1 . . . . 10 SER HA . 11260 1 40 . 1 1 10 10 SER HB2 H 1 3.822 0.030 . 2 . . . . 10 SER HB2 . 11260 1 41 . 1 1 10 10 SER HB3 H 1 3.888 0.030 . 2 . . . . 10 SER HB3 . 11260 1 42 . 1 1 10 10 SER C C 13 175.784 0.300 . 1 . . . . 10 SER C . 11260 1 43 . 1 1 10 10 SER CA C 13 60.135 0.300 . 1 . . . . 10 SER CA . 11260 1 44 . 1 1 10 10 SER CB C 13 63.304 0.300 . 1 . . . . 10 SER CB . 11260 1 45 . 1 1 10 10 SER N N 15 116.708 0.300 . 1 . . . . 10 SER N . 11260 1 46 . 1 1 11 11 GLU H H 1 8.269 0.030 . 1 . . . . 11 GLU H . 11260 1 47 . 1 1 11 11 GLU HA H 1 4.092 0.030 . 1 . . . . 11 GLU HA . 11260 1 48 . 1 1 11 11 GLU HB2 H 1 1.956 0.030 . 2 . . . . 11 GLU HB2 . 11260 1 49 . 1 1 11 11 GLU HB3 H 1 2.031 0.030 . 2 . . . . 11 GLU HB3 . 11260 1 50 . 1 1 11 11 GLU HG2 H 1 2.291 0.030 . 2 . . . . 11 GLU HG2 . 11260 1 51 . 1 1 11 11 GLU HG3 H 1 2.207 0.030 . 2 . . . . 11 GLU HG3 . 11260 1 52 . 1 1 11 11 GLU C C 13 178.504 0.300 . 1 . . . . 11 GLU C . 11260 1 53 . 1 1 11 11 GLU CA C 13 58.439 0.300 . 1 . . . . 11 GLU CA . 11260 1 54 . 1 1 11 11 GLU CB C 13 29.659 0.300 . 1 . . . . 11 GLU CB . 11260 1 55 . 1 1 11 11 GLU CG C 13 36.616 0.300 . 1 . . . . 11 GLU CG . 11260 1 56 . 1 1 11 11 GLU N N 15 121.752 0.300 . 1 . . . . 11 GLU N . 11260 1 57 . 1 1 12 12 LEU H H 1 7.979 0.030 . 1 . . . . 12 LEU H . 11260 1 58 . 1 1 12 12 LEU HA H 1 4.024 0.030 . 1 . . . . 12 LEU HA . 11260 1 59 . 1 1 12 12 LEU HB2 H 1 1.475 0.030 . 2 . . . . 12 LEU HB2 . 11260 1 60 . 1 1 12 12 LEU HB3 H 1 1.651 0.030 . 2 . . . . 12 LEU HB3 . 11260 1 61 . 1 1 12 12 LEU HD11 H 1 0.762 0.030 . 1 . . . . 12 LEU HD1 . 11260 1 62 . 1 1 12 12 LEU HD12 H 1 0.762 0.030 . 1 . . . . 12 LEU HD1 . 11260 1 63 . 1 1 12 12 LEU HD13 H 1 0.762 0.030 . 1 . . . . 12 LEU HD1 . 11260 1 64 . 1 1 12 12 LEU HD21 H 1 0.811 0.030 . 1 . . . . 12 LEU HD2 . 11260 1 65 . 1 1 12 12 LEU HD22 H 1 0.811 0.030 . 1 . . . . 12 LEU HD2 . 11260 1 66 . 1 1 12 12 LEU HD23 H 1 0.811 0.030 . 1 . . . . 12 LEU HD2 . 11260 1 67 . 1 1 12 12 LEU HG H 1 1.623 0.030 . 1 . . . . 12 LEU HG . 11260 1 68 . 1 1 12 12 LEU C C 13 178.667 0.300 . 1 . . . . 12 LEU C . 11260 1 69 . 1 1 12 12 LEU CA C 13 56.953 0.300 . 1 . . . . 12 LEU CA . 11260 1 70 . 1 1 12 12 LEU CB C 13 41.915 0.300 . 1 . . . . 12 LEU CB . 11260 1 71 . 1 1 12 12 LEU CD1 C 13 25.125 0.300 . 2 . . . . 12 LEU CD1 . 11260 1 72 . 1 1 12 12 LEU CD2 C 13 23.944 0.300 . 2 . . . . 12 LEU CD2 . 11260 1 73 . 1 1 12 12 LEU CG C 13 26.926 0.300 . 1 . . . . 12 LEU CG . 11260 1 74 . 1 1 12 12 LEU N N 15 119.330 0.300 . 1 . . . . 12 LEU N . 11260 1 75 . 1 1 13 13 GLN H H 1 7.741 0.030 . 1 . . . . 13 GLN H . 11260 1 76 . 1 1 13 13 GLN HA H 1 4.039 0.030 . 1 . . . . 13 GLN HA . 11260 1 77 . 1 1 13 13 GLN HB2 H 1 2.058 0.030 . 1 . . . . 13 GLN HB2 . 11260 1 78 . 1 1 13 13 GLN HB3 H 1 2.058 0.030 . 1 . . . . 13 GLN HB3 . 11260 1 79 . 1 1 13 13 GLN HE21 H 1 6.811 0.030 . 2 . . . . 13 GLN HE21 . 11260 1 80 . 1 1 13 13 GLN HE22 H 1 7.305 0.030 . 2 . . . . 13 GLN HE22 . 11260 1 81 . 1 1 13 13 GLN HG2 H 1 2.333 0.030 . 1 . . . . 13 GLN HG2 . 11260 1 82 . 1 1 13 13 GLN HG3 H 1 2.333 0.030 . 1 . . . . 13 GLN HG3 . 11260 1 83 . 1 1 13 13 GLN C C 13 176.397 0.300 . 1 . . . . 13 GLN C . 11260 1 84 . 1 1 13 13 GLN CA C 13 57.220 0.300 . 1 . . . . 13 GLN CA . 11260 1 85 . 1 1 13 13 GLN CB C 13 28.595 0.300 . 1 . . . . 13 GLN CB . 11260 1 86 . 1 1 13 13 GLN CG C 13 33.817 0.300 . 1 . . . . 13 GLN CG . 11260 1 87 . 1 1 13 13 GLN N N 15 115.888 0.300 . 1 . . . . 13 GLN N . 11260 1 88 . 1 1 13 13 GLN NE2 N 15 112.286 0.300 . 1 . . . . 13 GLN NE2 . 11260 1 89 . 1 1 14 14 MET H H 1 7.602 0.030 . 1 . . . . 14 MET H . 11260 1 90 . 1 1 14 14 MET HA H 1 4.481 0.030 . 1 . . . . 14 MET HA . 11260 1 91 . 1 1 14 14 MET HB2 H 1 2.045 0.030 . 2 . . . . 14 MET HB2 . 11260 1 92 . 1 1 14 14 MET HB3 H 1 2.228 0.030 . 2 . . . . 14 MET HB3 . 11260 1 93 . 1 1 14 14 MET HE1 H 1 2.075 0.030 . 1 . . . . 14 MET HE . 11260 1 94 . 1 1 14 14 MET HE2 H 1 2.075 0.030 . 1 . . . . 14 MET HE . 11260 1 95 . 1 1 14 14 MET HE3 H 1 2.075 0.030 . 1 . . . . 14 MET HE . 11260 1 96 . 1 1 14 14 MET HG2 H 1 2.540 0.030 . 2 . . . . 14 MET HG2 . 11260 1 97 . 1 1 14 14 MET HG3 H 1 2.675 0.030 . 2 . . . . 14 MET HG3 . 11260 1 98 . 1 1 14 14 MET C C 13 176.352 0.300 . 1 . . . . 14 MET C . 11260 1 99 . 1 1 14 14 MET CA C 13 55.194 0.300 . 1 . . . . 14 MET CA . 11260 1 100 . 1 1 14 14 MET CB C 13 32.456 0.300 . 1 . . . . 14 MET CB . 11260 1 101 . 1 1 14 14 MET CE C 13 16.857 0.300 . 1 . . . . 14 MET CE . 11260 1 102 . 1 1 14 14 MET CG C 13 32.392 0.300 . 1 . . . . 14 MET CG . 11260 1 103 . 1 1 14 14 MET N N 15 116.220 0.300 . 1 . . . . 14 MET N . 11260 1 104 . 1 1 15 15 LEU H H 1 7.243 0.030 . 1 . . . . 15 LEU H . 11260 1 105 . 1 1 15 15 LEU HA H 1 4.475 0.030 . 1 . . . . 15 LEU HA . 11260 1 106 . 1 1 15 15 LEU HB2 H 1 1.710 0.030 . 2 . . . . 15 LEU HB2 . 11260 1 107 . 1 1 15 15 LEU HB3 H 1 1.776 0.030 . 2 . . . . 15 LEU HB3 . 11260 1 108 . 1 1 15 15 LEU HD11 H 1 0.856 0.030 . 1 . . . . 15 LEU HD1 . 11260 1 109 . 1 1 15 15 LEU HD12 H 1 0.856 0.030 . 1 . . . . 15 LEU HD1 . 11260 1 110 . 1 1 15 15 LEU HD13 H 1 0.856 0.030 . 1 . . . . 15 LEU HD1 . 11260 1 111 . 1 1 15 15 LEU HD21 H 1 0.757 0.030 . 1 . . . . 15 LEU HD2 . 11260 1 112 . 1 1 15 15 LEU HD22 H 1 0.757 0.030 . 1 . . . . 15 LEU HD2 . 11260 1 113 . 1 1 15 15 LEU HD23 H 1 0.757 0.030 . 1 . . . . 15 LEU HD2 . 11260 1 114 . 1 1 15 15 LEU HG H 1 1.957 0.030 . 1 . . . . 15 LEU HG . 11260 1 115 . 1 1 15 15 LEU C C 13 177.334 0.300 . 1 . . . . 15 LEU C . 11260 1 116 . 1 1 15 15 LEU CA C 13 54.361 0.300 . 1 . . . . 15 LEU CA . 11260 1 117 . 1 1 15 15 LEU CB C 13 42.586 0.300 . 1 . . . . 15 LEU CB . 11260 1 118 . 1 1 15 15 LEU CD1 C 13 26.889 0.300 . 2 . . . . 15 LEU CD1 . 11260 1 119 . 1 1 15 15 LEU CD2 C 13 22.150 0.300 . 2 . . . . 15 LEU CD2 . 11260 1 120 . 1 1 15 15 LEU CG C 13 26.508 0.300 . 1 . . . . 15 LEU CG . 11260 1 121 . 1 1 15 15 LEU N N 15 120.092 0.300 . 1 . . . . 15 LEU N . 11260 1 122 . 1 1 16 16 SER H H 1 9.471 0.030 . 1 . . . . 16 SER H . 11260 1 123 . 1 1 16 16 SER HA H 1 4.772 0.030 . 1 . . . . 16 SER HA . 11260 1 124 . 1 1 16 16 SER HB2 H 1 3.971 0.030 . 2 . . . . 16 SER HB2 . 11260 1 125 . 1 1 16 16 SER HB3 H 1 4.405 0.030 . 2 . . . . 16 SER HB3 . 11260 1 126 . 1 1 16 16 SER C C 13 172.837 0.300 . 1 . . . . 16 SER C . 11260 1 127 . 1 1 16 16 SER CA C 13 56.990 0.300 . 1 . . . . 16 SER CA . 11260 1 128 . 1 1 16 16 SER CB C 13 62.563 0.300 . 1 . . . . 16 SER CB . 11260 1 129 . 1 1 16 16 SER N N 15 120.833 0.300 . 1 . . . . 16 SER N . 11260 1 130 . 1 1 17 17 PRO HA H 1 4.236 0.030 . 1 . . . . 17 PRO HA . 11260 1 131 . 1 1 17 17 PRO HB2 H 1 2.407 0.030 . 2 . . . . 17 PRO HB2 . 11260 1 132 . 1 1 17 17 PRO HB3 H 1 1.980 0.030 . 2 . . . . 17 PRO HB3 . 11260 1 133 . 1 1 17 17 PRO HD2 H 1 3.927 0.030 . 1 . . . . 17 PRO HD2 . 11260 1 134 . 1 1 17 17 PRO HD3 H 1 3.927 0.030 . 1 . . . . 17 PRO HD3 . 11260 1 135 . 1 1 17 17 PRO HG2 H 1 2.045 0.030 . 2 . . . . 17 PRO HG2 . 11260 1 136 . 1 1 17 17 PRO HG3 H 1 2.249 0.030 . 2 . . . . 17 PRO HG3 . 11260 1 137 . 1 1 17 17 PRO C C 13 179.863 0.300 . 1 . . . . 17 PRO C . 11260 1 138 . 1 1 17 17 PRO CA C 13 66.378 0.300 . 1 . . . . 17 PRO CA . 11260 1 139 . 1 1 17 17 PRO CB C 13 31.792 0.300 . 1 . . . . 17 PRO CB . 11260 1 140 . 1 1 17 17 PRO CD C 13 49.938 0.300 . 1 . . . . 17 PRO CD . 11260 1 141 . 1 1 17 17 PRO CG C 13 28.168 0.300 . 1 . . . . 17 PRO CG . 11260 1 142 . 1 1 18 18 SER H H 1 8.317 0.030 . 1 . . . . 18 SER H . 11260 1 143 . 1 1 18 18 SER HA H 1 4.197 0.030 . 1 . . . . 18 SER HA . 11260 1 144 . 1 1 18 18 SER HB2 H 1 4.028 0.030 . 2 . . . . 18 SER HB2 . 11260 1 145 . 1 1 18 18 SER HB3 H 1 3.782 0.030 . 2 . . . . 18 SER HB3 . 11260 1 146 . 1 1 18 18 SER C C 13 177.895 0.300 . 1 . . . . 18 SER C . 11260 1 147 . 1 1 18 18 SER CA C 13 61.619 0.300 . 1 . . . . 18 SER CA . 11260 1 148 . 1 1 18 18 SER CB C 13 61.536 0.300 . 1 . . . . 18 SER CB . 11260 1 149 . 1 1 18 18 SER N N 15 113.302 0.300 . 1 . . . . 18 SER N . 11260 1 150 . 1 1 19 19 GLU H H 1 7.707 0.030 . 1 . . . . 19 GLU H . 11260 1 151 . 1 1 19 19 GLU HA H 1 3.791 0.030 . 1 . . . . 19 GLU HA . 11260 1 152 . 1 1 19 19 GLU HB2 H 1 2.491 0.030 . 2 . . . . 19 GLU HB2 . 11260 1 153 . 1 1 19 19 GLU HB3 H 1 1.779 0.030 . 2 . . . . 19 GLU HB3 . 11260 1 154 . 1 1 19 19 GLU HG2 H 1 2.382 0.030 . 2 . . . . 19 GLU HG2 . 11260 1 155 . 1 1 19 19 GLU HG3 H 1 2.195 0.030 . 2 . . . . 19 GLU HG3 . 11260 1 156 . 1 1 19 19 GLU C C 13 178.659 0.300 . 1 . . . . 19 GLU C . 11260 1 157 . 1 1 19 19 GLU CA C 13 59.475 0.300 . 1 . . . . 19 GLU CA . 11260 1 158 . 1 1 19 19 GLU CB C 13 31.417 0.300 . 1 . . . . 19 GLU CB . 11260 1 159 . 1 1 19 19 GLU CG C 13 37.609 0.300 . 1 . . . . 19 GLU CG . 11260 1 160 . 1 1 19 19 GLU N N 15 126.321 0.300 . 1 . . . . 19 GLU N . 11260 1 161 . 1 1 20 20 ARG H H 1 8.885 0.030 . 1 . . . . 20 ARG H . 11260 1 162 . 1 1 20 20 ARG HA H 1 3.824 0.030 . 1 . . . . 20 ARG HA . 11260 1 163 . 1 1 20 20 ARG HB2 H 1 1.854 0.030 . 2 . . . . 20 ARG HB2 . 11260 1 164 . 1 1 20 20 ARG HB3 H 1 1.976 0.030 . 2 . . . . 20 ARG HB3 . 11260 1 165 . 1 1 20 20 ARG HD2 H 1 3.197 0.030 . 1 . . . . 20 ARG HD2 . 11260 1 166 . 1 1 20 20 ARG HD3 H 1 3.197 0.030 . 1 . . . . 20 ARG HD3 . 11260 1 167 . 1 1 20 20 ARG HG2 H 1 1.678 0.030 . 1 . . . . 20 ARG HG2 . 11260 1 168 . 1 1 20 20 ARG HG3 H 1 1.678 0.030 . 1 . . . . 20 ARG HG3 . 11260 1 169 . 1 1 20 20 ARG C C 13 178.011 0.300 . 1 . . . . 20 ARG C . 11260 1 170 . 1 1 20 20 ARG CA C 13 59.461 0.300 . 1 . . . . 20 ARG CA . 11260 1 171 . 1 1 20 20 ARG CB C 13 29.659 0.300 . 1 . . . . 20 ARG CB . 11260 1 172 . 1 1 20 20 ARG CD C 13 43.249 0.300 . 1 . . . . 20 ARG CD . 11260 1 173 . 1 1 20 20 ARG CG C 13 27.895 0.300 . 1 . . . . 20 ARG CG . 11260 1 174 . 1 1 20 20 ARG N N 15 118.614 0.300 . 1 . . . . 20 ARG N . 11260 1 175 . 1 1 21 21 GLN H H 1 7.861 0.030 . 1 . . . . 21 GLN H . 11260 1 176 . 1 1 21 21 GLN HA H 1 4.128 0.030 . 1 . . . . 21 GLN HA . 11260 1 177 . 1 1 21 21 GLN HB2 H 1 2.162 0.030 . 1 . . . . 21 GLN HB2 . 11260 1 178 . 1 1 21 21 GLN HB3 H 1 2.162 0.030 . 1 . . . . 21 GLN HB3 . 11260 1 179 . 1 1 21 21 GLN HE21 H 1 6.885 0.030 . 2 . . . . 21 GLN HE21 . 11260 1 180 . 1 1 21 21 GLN HE22 H 1 7.520 0.030 . 2 . . . . 21 GLN HE22 . 11260 1 181 . 1 1 21 21 GLN HG2 H 1 2.448 0.030 . 2 . . . . 21 GLN HG2 . 11260 1 182 . 1 1 21 21 GLN HG3 H 1 2.390 0.030 . 2 . . . . 21 GLN HG3 . 11260 1 183 . 1 1 21 21 GLN C C 13 178.337 0.300 . 1 . . . . 21 GLN C . 11260 1 184 . 1 1 21 21 GLN CA C 13 58.754 0.300 . 1 . . . . 21 GLN CA . 11260 1 185 . 1 1 21 21 GLN CB C 13 28.417 0.300 . 1 . . . . 21 GLN CB . 11260 1 186 . 1 1 21 21 GLN CG C 13 33.883 0.300 . 1 . . . . 21 GLN CG . 11260 1 187 . 1 1 21 21 GLN N N 15 118.055 0.300 . 1 . . . . 21 GLN N . 11260 1 188 . 1 1 21 21 GLN NE2 N 15 112.557 0.300 . 1 . . . . 21 GLN NE2 . 11260 1 189 . 1 1 22 22 CYS H H 1 7.901 0.030 . 1 . . . . 22 CYS H . 11260 1 190 . 1 1 22 22 CYS HA H 1 4.026 0.030 . 1 . . . . 22 CYS HA . 11260 1 191 . 1 1 22 22 CYS HB2 H 1 3.098 0.030 . 2 . . . . 22 CYS HB2 . 11260 1 192 . 1 1 22 22 CYS HB3 H 1 3.060 0.030 . 2 . . . . 22 CYS HB3 . 11260 1 193 . 1 1 22 22 CYS C C 13 175.487 0.300 . 1 . . . . 22 CYS C . 11260 1 194 . 1 1 22 22 CYS CA C 13 63.016 0.300 . 1 . . . . 22 CYS CA . 11260 1 195 . 1 1 22 22 CYS CB C 13 26.292 0.300 . 1 . . . . 22 CYS CB . 11260 1 196 . 1 1 22 22 CYS N N 15 121.666 0.300 . 1 . . . . 22 CYS N . 11260 1 197 . 1 1 23 23 VAL H H 1 8.166 0.030 . 1 . . . . 23 VAL H . 11260 1 198 . 1 1 23 23 VAL HA H 1 3.509 0.030 . 1 . . . . 23 VAL HA . 11260 1 199 . 1 1 23 23 VAL HB H 1 2.181 0.030 . 1 . . . . 23 VAL HB . 11260 1 200 . 1 1 23 23 VAL HG11 H 1 0.926 0.030 . 1 . . . . 23 VAL HG1 . 11260 1 201 . 1 1 23 23 VAL HG12 H 1 0.926 0.030 . 1 . . . . 23 VAL HG1 . 11260 1 202 . 1 1 23 23 VAL HG13 H 1 0.926 0.030 . 1 . . . . 23 VAL HG1 . 11260 1 203 . 1 1 23 23 VAL HG21 H 1 1.005 0.030 . 1 . . . . 23 VAL HG2 . 11260 1 204 . 1 1 23 23 VAL HG22 H 1 1.005 0.030 . 1 . . . . 23 VAL HG2 . 11260 1 205 . 1 1 23 23 VAL HG23 H 1 1.005 0.030 . 1 . . . . 23 VAL HG2 . 11260 1 206 . 1 1 23 23 VAL C C 13 177.754 0.300 . 1 . . . . 23 VAL C . 11260 1 207 . 1 1 23 23 VAL CA C 13 66.308 0.300 . 1 . . . . 23 VAL CA . 11260 1 208 . 1 1 23 23 VAL CB C 13 31.926 0.300 . 1 . . . . 23 VAL CB . 11260 1 209 . 1 1 23 23 VAL CG1 C 13 21.880 0.300 . 2 . . . . 23 VAL CG1 . 11260 1 210 . 1 1 23 23 VAL CG2 C 13 24.217 0.300 . 2 . . . . 23 VAL CG2 . 11260 1 211 . 1 1 23 23 VAL N N 15 117.098 0.300 . 1 . . . . 23 VAL N . 11260 1 212 . 1 1 24 24 GLU H H 1 8.493 0.030 . 1 . . . . 24 GLU H . 11260 1 213 . 1 1 24 24 GLU HA H 1 3.955 0.030 . 1 . . . . 24 GLU HA . 11260 1 214 . 1 1 24 24 GLU HB2 H 1 2.087 0.030 . 1 . . . . 24 GLU HB2 . 11260 1 215 . 1 1 24 24 GLU HB3 H 1 2.087 0.030 . 1 . . . . 24 GLU HB3 . 11260 1 216 . 1 1 24 24 GLU HG2 H 1 2.426 0.030 . 2 . . . . 24 GLU HG2 . 11260 1 217 . 1 1 24 24 GLU HG3 H 1 2.470 0.030 . 2 . . . . 24 GLU HG3 . 11260 1 218 . 1 1 24 24 GLU C C 13 178.909 0.300 . 1 . . . . 24 GLU C . 11260 1 219 . 1 1 24 24 GLU CA C 13 59.514 0.300 . 1 . . . . 24 GLU CA . 11260 1 220 . 1 1 24 24 GLU CB C 13 29.499 0.300 . 1 . . . . 24 GLU CB . 11260 1 221 . 1 1 24 24 GLU CG C 13 36.368 0.300 . 1 . . . . 24 GLU CG . 11260 1 222 . 1 1 24 24 GLU N N 15 117.347 0.300 . 1 . . . . 24 GLU N . 11260 1 223 . 1 1 25 25 THR H H 1 8.091 0.030 . 1 . . . . 25 THR H . 11260 1 224 . 1 1 25 25 THR HA H 1 3.901 0.030 . 1 . . . . 25 THR HA . 11260 1 225 . 1 1 25 25 THR HB H 1 4.465 0.030 . 1 . . . . 25 THR HB . 11260 1 226 . 1 1 25 25 THR HG21 H 1 1.245 0.030 . 1 . . . . 25 THR HG2 . 11260 1 227 . 1 1 25 25 THR HG22 H 1 1.245 0.030 . 1 . . . . 25 THR HG2 . 11260 1 228 . 1 1 25 25 THR HG23 H 1 1.245 0.030 . 1 . . . . 25 THR HG2 . 11260 1 229 . 1 1 25 25 THR C C 13 176.101 0.300 . 1 . . . . 25 THR C . 11260 1 230 . 1 1 25 25 THR CA C 13 67.123 0.300 . 1 . . . . 25 THR CA . 11260 1 231 . 1 1 25 25 THR CB C 13 68.931 0.300 . 1 . . . . 25 THR CB . 11260 1 232 . 1 1 25 25 THR CG2 C 13 21.456 0.300 . 1 . . . . 25 THR CG2 . 11260 1 233 . 1 1 25 25 THR N N 15 115.377 0.300 . 1 . . . . 25 THR N . 11260 1 234 . 1 1 26 26 VAL H H 1 7.761 0.030 . 1 . . . . 26 VAL H . 11260 1 235 . 1 1 26 26 VAL HA H 1 3.925 0.030 . 1 . . . . 26 VAL HA . 11260 1 236 . 1 1 26 26 VAL HB H 1 2.051 0.030 . 1 . . . . 26 VAL HB . 11260 1 237 . 1 1 26 26 VAL HG11 H 1 0.799 0.030 . 1 . . . . 26 VAL HG1 . 11260 1 238 . 1 1 26 26 VAL HG12 H 1 0.799 0.030 . 1 . . . . 26 VAL HG1 . 11260 1 239 . 1 1 26 26 VAL HG13 H 1 0.799 0.030 . 1 . . . . 26 VAL HG1 . 11260 1 240 . 1 1 26 26 VAL HG21 H 1 1.009 0.030 . 1 . . . . 26 VAL HG2 . 11260 1 241 . 1 1 26 26 VAL HG22 H 1 1.009 0.030 . 1 . . . . 26 VAL HG2 . 11260 1 242 . 1 1 26 26 VAL HG23 H 1 1.009 0.030 . 1 . . . . 26 VAL HG2 . 11260 1 243 . 1 1 26 26 VAL C C 13 179.530 0.300 . 1 . . . . 26 VAL C . 11260 1 244 . 1 1 26 26 VAL CA C 13 66.281 0.300 . 1 . . . . 26 VAL CA . 11260 1 245 . 1 1 26 26 VAL CB C 13 31.473 0.300 . 1 . . . . 26 VAL CB . 11260 1 246 . 1 1 26 26 VAL CG1 C 13 24.414 0.300 . 2 . . . . 26 VAL CG1 . 11260 1 247 . 1 1 26 26 VAL CG2 C 13 23.189 0.300 . 2 . . . . 26 VAL CG2 . 11260 1 248 . 1 1 26 26 VAL N N 15 121.068 0.300 . 1 . . . . 26 VAL N . 11260 1 249 . 1 1 27 27 VAL H H 1 9.105 0.030 . 1 . . . . 27 VAL H . 11260 1 250 . 1 1 27 27 VAL HA H 1 4.239 0.030 . 1 . . . . 27 VAL HA . 11260 1 251 . 1 1 27 27 VAL HB H 1 1.969 0.030 . 1 . . . . 27 VAL HB . 11260 1 252 . 1 1 27 27 VAL HG11 H 1 0.722 0.030 . 1 . . . . 27 VAL HG1 . 11260 1 253 . 1 1 27 27 VAL HG12 H 1 0.722 0.030 . 1 . . . . 27 VAL HG1 . 11260 1 254 . 1 1 27 27 VAL HG13 H 1 0.722 0.030 . 1 . . . . 27 VAL HG1 . 11260 1 255 . 1 1 27 27 VAL HG21 H 1 0.594 0.030 . 1 . . . . 27 VAL HG2 . 11260 1 256 . 1 1 27 27 VAL HG22 H 1 0.594 0.030 . 1 . . . . 27 VAL HG2 . 11260 1 257 . 1 1 27 27 VAL HG23 H 1 0.594 0.030 . 1 . . . . 27 VAL HG2 . 11260 1 258 . 1 1 27 27 VAL C C 13 181.046 0.300 . 1 . . . . 27 VAL C . 11260 1 259 . 1 1 27 27 VAL CA C 13 65.835 0.300 . 1 . . . . 27 VAL CA . 11260 1 260 . 1 1 27 27 VAL CB C 13 31.350 0.300 . 1 . . . . 27 VAL CB . 11260 1 261 . 1 1 27 27 VAL CG1 C 13 20.230 0.300 . 2 . . . . 27 VAL CG1 . 11260 1 262 . 1 1 27 27 VAL CG2 C 13 22.981 0.300 . 2 . . . . 27 VAL CG2 . 11260 1 263 . 1 1 27 27 VAL N N 15 124.023 0.300 . 1 . . . . 27 VAL N . 11260 1 264 . 1 1 28 28 ASN H H 1 7.917 0.030 . 1 . . . . 28 ASN H . 11260 1 265 . 1 1 28 28 ASN HA H 1 4.615 0.030 . 1 . . . . 28 ASN HA . 11260 1 266 . 1 1 28 28 ASN HB2 H 1 2.931 0.030 . 1 . . . . 28 ASN HB2 . 11260 1 267 . 1 1 28 28 ASN HB3 H 1 2.931 0.030 . 1 . . . . 28 ASN HB3 . 11260 1 268 . 1 1 28 28 ASN HD21 H 1 7.019 0.030 . 2 . . . . 28 ASN HD21 . 11260 1 269 . 1 1 28 28 ASN HD22 H 1 7.659 0.030 . 2 . . . . 28 ASN HD22 . 11260 1 270 . 1 1 28 28 ASN C C 13 176.364 0.300 . 1 . . . . 28 ASN C . 11260 1 271 . 1 1 28 28 ASN CA C 13 55.176 0.300 . 1 . . . . 28 ASN CA . 11260 1 272 . 1 1 28 28 ASN CB C 13 38.341 0.300 . 1 . . . . 28 ASN CB . 11260 1 273 . 1 1 28 28 ASN N N 15 117.520 0.300 . 1 . . . . 28 ASN N . 11260 1 274 . 1 1 28 28 ASN ND2 N 15 112.527 0.300 . 1 . . . . 28 ASN ND2 . 11260 1 275 . 1 1 29 29 MET H H 1 7.897 0.030 . 1 . . . . 29 MET H . 11260 1 276 . 1 1 29 29 MET HA H 1 4.432 0.030 . 1 . . . . 29 MET HA . 11260 1 277 . 1 1 29 29 MET HB2 H 1 2.517 0.030 . 2 . . . . 29 MET HB2 . 11260 1 278 . 1 1 29 29 MET HB3 H 1 2.589 0.030 . 2 . . . . 29 MET HB3 . 11260 1 279 . 1 1 29 29 MET HE1 H 1 2.177 0.030 . 1 . . . . 29 MET HE . 11260 1 280 . 1 1 29 29 MET HE2 H 1 2.177 0.030 . 1 . . . . 29 MET HE . 11260 1 281 . 1 1 29 29 MET HE3 H 1 2.177 0.030 . 1 . . . . 29 MET HE . 11260 1 282 . 1 1 29 29 MET HG2 H 1 2.672 0.030 . 2 . . . . 29 MET HG2 . 11260 1 283 . 1 1 29 29 MET HG3 H 1 3.107 0.030 . 2 . . . . 29 MET HG3 . 11260 1 284 . 1 1 29 29 MET C C 13 175.656 0.300 . 1 . . . . 29 MET C . 11260 1 285 . 1 1 29 29 MET CA C 13 56.970 0.300 . 1 . . . . 29 MET CA . 11260 1 286 . 1 1 29 29 MET CB C 13 32.574 0.300 . 1 . . . . 29 MET CB . 11260 1 287 . 1 1 29 29 MET CE C 13 17.450 0.300 . 1 . . . . 29 MET CE . 11260 1 288 . 1 1 29 29 MET CG C 13 32.761 0.300 . 1 . . . . 29 MET CG . 11260 1 289 . 1 1 29 29 MET N N 15 118.249 0.300 . 1 . . . . 29 MET N . 11260 1 290 . 1 1 30 30 GLY H H 1 8.213 0.030 . 1 . . . . 30 GLY H . 11260 1 291 . 1 1 30 30 GLY HA2 H 1 4.166 0.030 . 2 . . . . 30 GLY HA2 . 11260 1 292 . 1 1 30 30 GLY HA3 H 1 3.629 0.030 . 2 . . . . 30 GLY HA3 . 11260 1 293 . 1 1 30 30 GLY C C 13 173.195 0.300 . 1 . . . . 30 GLY C . 11260 1 294 . 1 1 30 30 GLY CA C 13 45.237 0.300 . 1 . . . . 30 GLY CA . 11260 1 295 . 1 1 30 30 GLY N N 15 106.183 0.300 . 1 . . . . 30 GLY N . 11260 1 296 . 1 1 31 31 TYR H H 1 7.115 0.030 . 1 . . . . 31 TYR H . 11260 1 297 . 1 1 31 31 TYR HA H 1 4.691 0.030 . 1 . . . . 31 TYR HA . 11260 1 298 . 1 1 31 31 TYR HB2 H 1 2.875 0.030 . 2 . . . . 31 TYR HB2 . 11260 1 299 . 1 1 31 31 TYR HB3 H 1 2.226 0.030 . 2 . . . . 31 TYR HB3 . 11260 1 300 . 1 1 31 31 TYR HD1 H 1 7.156 0.030 . 1 . . . . 31 TYR HD1 . 11260 1 301 . 1 1 31 31 TYR HD2 H 1 7.156 0.030 . 1 . . . . 31 TYR HD2 . 11260 1 302 . 1 1 31 31 TYR HE1 H 1 6.663 0.030 . 1 . . . . 31 TYR HE1 . 11260 1 303 . 1 1 31 31 TYR HE2 H 1 6.663 0.030 . 1 . . . . 31 TYR HE2 . 11260 1 304 . 1 1 31 31 TYR C C 13 174.422 0.300 . 1 . . . . 31 TYR C . 11260 1 305 . 1 1 31 31 TYR CA C 13 57.515 0.300 . 1 . . . . 31 TYR CA . 11260 1 306 . 1 1 31 31 TYR CB C 13 42.289 0.300 . 1 . . . . 31 TYR CB . 11260 1 307 . 1 1 31 31 TYR CD1 C 13 133.543 0.300 . 1 . . . . 31 TYR CD1 . 11260 1 308 . 1 1 31 31 TYR CD2 C 13 133.543 0.300 . 1 . . . . 31 TYR CD2 . 11260 1 309 . 1 1 31 31 TYR CE1 C 13 117.938 0.300 . 1 . . . . 31 TYR CE1 . 11260 1 310 . 1 1 31 31 TYR CE2 C 13 117.938 0.300 . 1 . . . . 31 TYR CE2 . 11260 1 311 . 1 1 31 31 TYR N N 15 119.101 0.300 . 1 . . . . 31 TYR N . 11260 1 312 . 1 1 32 32 SER H H 1 8.768 0.030 . 1 . . . . 32 SER H . 11260 1 313 . 1 1 32 32 SER HA H 1 4.549 0.030 . 1 . . . . 32 SER HA . 11260 1 314 . 1 1 32 32 SER HB2 H 1 4.122 0.030 . 2 . . . . 32 SER HB2 . 11260 1 315 . 1 1 32 32 SER HB3 H 1 4.394 0.030 . 2 . . . . 32 SER HB3 . 11260 1 316 . 1 1 32 32 SER C C 13 175.335 0.300 . 1 . . . . 32 SER C . 11260 1 317 . 1 1 32 32 SER CA C 13 57.294 0.300 . 1 . . . . 32 SER CA . 11260 1 318 . 1 1 32 32 SER CB C 13 65.114 0.300 . 1 . . . . 32 SER CB . 11260 1 319 . 1 1 32 32 SER N N 15 115.998 0.300 . 1 . . . . 32 SER N . 11260 1 320 . 1 1 33 33 TYR H H 1 8.746 0.030 . 1 . . . . 33 TYR H . 11260 1 321 . 1 1 33 33 TYR HA H 1 3.752 0.030 . 1 . . . . 33 TYR HA . 11260 1 322 . 1 1 33 33 TYR HB2 H 1 2.760 0.030 . 2 . . . . 33 TYR HB2 . 11260 1 323 . 1 1 33 33 TYR HB3 H 1 2.910 0.030 . 2 . . . . 33 TYR HB3 . 11260 1 324 . 1 1 33 33 TYR HD1 H 1 7.026 0.030 . 1 . . . . 33 TYR HD1 . 11260 1 325 . 1 1 33 33 TYR HD2 H 1 7.026 0.030 . 1 . . . . 33 TYR HD2 . 11260 1 326 . 1 1 33 33 TYR HE1 H 1 6.780 0.030 . 1 . . . . 33 TYR HE1 . 11260 1 327 . 1 1 33 33 TYR HE2 H 1 6.780 0.030 . 1 . . . . 33 TYR HE2 . 11260 1 328 . 1 1 33 33 TYR C C 13 177.565 0.300 . 1 . . . . 33 TYR C . 11260 1 329 . 1 1 33 33 TYR CA C 13 63.399 0.300 . 1 . . . . 33 TYR CA . 11260 1 330 . 1 1 33 33 TYR CB C 13 38.714 0.300 . 1 . . . . 33 TYR CB . 11260 1 331 . 1 1 33 33 TYR CD1 C 13 133.071 0.300 . 1 . . . . 33 TYR CD1 . 11260 1 332 . 1 1 33 33 TYR CD2 C 13 133.071 0.300 . 1 . . . . 33 TYR CD2 . 11260 1 333 . 1 1 33 33 TYR CE1 C 13 118.492 0.300 . 1 . . . . 33 TYR CE1 . 11260 1 334 . 1 1 33 33 TYR CE2 C 13 118.492 0.300 . 1 . . . . 33 TYR CE2 . 11260 1 335 . 1 1 33 33 TYR N N 15 120.963 0.300 . 1 . . . . 33 TYR N . 11260 1 336 . 1 1 34 34 GLU H H 1 9.020 0.030 . 1 . . . . 34 GLU H . 11260 1 337 . 1 1 34 34 GLU HA H 1 3.872 0.030 . 1 . . . . 34 GLU HA . 11260 1 338 . 1 1 34 34 GLU HB2 H 1 2.138 0.030 . 2 . . . . 34 GLU HB2 . 11260 1 339 . 1 1 34 34 GLU HB3 H 1 1.991 0.030 . 2 . . . . 34 GLU HB3 . 11260 1 340 . 1 1 34 34 GLU HG2 H 1 2.385 0.030 . 1 . . . . 34 GLU HG2 . 11260 1 341 . 1 1 34 34 GLU HG3 H 1 2.385 0.030 . 1 . . . . 34 GLU HG3 . 11260 1 342 . 1 1 34 34 GLU C C 13 179.305 0.300 . 1 . . . . 34 GLU C . 11260 1 343 . 1 1 34 34 GLU CA C 13 60.500 0.300 . 1 . . . . 34 GLU CA . 11260 1 344 . 1 1 34 34 GLU CB C 13 29.162 0.300 . 1 . . . . 34 GLU CB . 11260 1 345 . 1 1 34 34 GLU CG C 13 36.614 0.300 . 1 . . . . 34 GLU CG . 11260 1 346 . 1 1 34 34 GLU N N 15 116.380 0.300 . 1 . . . . 34 GLU N . 11260 1 347 . 1 1 35 35 CYS H H 1 7.702 0.030 . 1 . . . . 35 CYS H . 11260 1 348 . 1 1 35 35 CYS HA H 1 4.202 0.030 . 1 . . . . 35 CYS HA . 11260 1 349 . 1 1 35 35 CYS HB2 H 1 3.033 0.030 . 1 . . . . 35 CYS HB2 . 11260 1 350 . 1 1 35 35 CYS HB3 H 1 3.033 0.030 . 1 . . . . 35 CYS HB3 . 11260 1 351 . 1 1 35 35 CYS C C 13 177.376 0.300 . 1 . . . . 35 CYS C . 11260 1 352 . 1 1 35 35 CYS CA C 13 62.619 0.300 . 1 . . . . 35 CYS CA . 11260 1 353 . 1 1 35 35 CYS CB C 13 26.926 0.300 . 1 . . . . 35 CYS CB . 11260 1 354 . 1 1 35 35 CYS N N 15 117.351 0.300 . 1 . . . . 35 CYS N . 11260 1 355 . 1 1 36 36 VAL H H 1 8.239 0.030 . 1 . . . . 36 VAL H . 11260 1 356 . 1 1 36 36 VAL HA H 1 3.357 0.030 . 1 . . . . 36 VAL HA . 11260 1 357 . 1 1 36 36 VAL HB H 1 1.958 0.030 . 1 . . . . 36 VAL HB . 11260 1 358 . 1 1 36 36 VAL HG11 H 1 1.030 0.030 . 1 . . . . 36 VAL HG1 . 11260 1 359 . 1 1 36 36 VAL HG12 H 1 1.030 0.030 . 1 . . . . 36 VAL HG1 . 11260 1 360 . 1 1 36 36 VAL HG13 H 1 1.030 0.030 . 1 . . . . 36 VAL HG1 . 11260 1 361 . 1 1 36 36 VAL HG21 H 1 0.908 0.030 . 1 . . . . 36 VAL HG2 . 11260 1 362 . 1 1 36 36 VAL HG22 H 1 0.908 0.030 . 1 . . . . 36 VAL HG2 . 11260 1 363 . 1 1 36 36 VAL HG23 H 1 0.908 0.030 . 1 . . . . 36 VAL HG2 . 11260 1 364 . 1 1 36 36 VAL C C 13 177.362 0.300 . 1 . . . . 36 VAL C . 11260 1 365 . 1 1 36 36 VAL CA C 13 67.288 0.300 . 1 . . . . 36 VAL CA . 11260 1 366 . 1 1 36 36 VAL CB C 13 31.226 0.300 . 1 . . . . 36 VAL CB . 11260 1 367 . 1 1 36 36 VAL CG1 C 13 23.364 0.300 . 2 . . . . 36 VAL CG1 . 11260 1 368 . 1 1 36 36 VAL CG2 C 13 24.974 0.300 . 2 . . . . 36 VAL CG2 . 11260 1 369 . 1 1 36 36 VAL N N 15 122.297 0.300 . 1 . . . . 36 VAL N . 11260 1 370 . 1 1 37 37 LEU H H 1 8.779 0.030 . 1 . . . . 37 LEU H . 11260 1 371 . 1 1 37 37 LEU HA H 1 3.863 0.030 . 1 . . . . 37 LEU HA . 11260 1 372 . 1 1 37 37 LEU HB2 H 1 1.485 0.030 . 2 . . . . 37 LEU HB2 . 11260 1 373 . 1 1 37 37 LEU HB3 H 1 1.680 0.030 . 2 . . . . 37 LEU HB3 . 11260 1 374 . 1 1 37 37 LEU HD11 H 1 0.826 0.030 . 1 . . . . 37 LEU HD1 . 11260 1 375 . 1 1 37 37 LEU HD12 H 1 0.826 0.030 . 1 . . . . 37 LEU HD1 . 11260 1 376 . 1 1 37 37 LEU HD13 H 1 0.826 0.030 . 1 . . . . 37 LEU HD1 . 11260 1 377 . 1 1 37 37 LEU HD21 H 1 0.857 0.030 . 1 . . . . 37 LEU HD2 . 11260 1 378 . 1 1 37 37 LEU HD22 H 1 0.857 0.030 . 1 . . . . 37 LEU HD2 . 11260 1 379 . 1 1 37 37 LEU HD23 H 1 0.857 0.030 . 1 . . . . 37 LEU HD2 . 11260 1 380 . 1 1 37 37 LEU HG H 1 1.674 0.030 . 1 . . . . 37 LEU HG . 11260 1 381 . 1 1 37 37 LEU C C 13 179.495 0.300 . 1 . . . . 37 LEU C . 11260 1 382 . 1 1 37 37 LEU CA C 13 58.558 0.300 . 1 . . . . 37 LEU CA . 11260 1 383 . 1 1 37 37 LEU CB C 13 41.376 0.300 . 1 . . . . 37 LEU CB . 11260 1 384 . 1 1 37 37 LEU CD1 C 13 25.337 0.300 . 2 . . . . 37 LEU CD1 . 11260 1 385 . 1 1 37 37 LEU CD2 C 13 24.370 0.300 . 2 . . . . 37 LEU CD2 . 11260 1 386 . 1 1 37 37 LEU CG C 13 27.649 0.300 . 1 . . . . 37 LEU CG . 11260 1 387 . 1 1 37 37 LEU N N 15 120.482 0.300 . 1 . . . . 37 LEU N . 11260 1 388 . 1 1 38 38 ARG H H 1 7.378 0.030 . 1 . . . . 38 ARG H . 11260 1 389 . 1 1 38 38 ARG HA H 1 3.904 0.030 . 1 . . . . 38 ARG HA . 11260 1 390 . 1 1 38 38 ARG HB2 H 1 1.866 0.030 . 2 . . . . 38 ARG HB2 . 11260 1 391 . 1 1 38 38 ARG HB3 H 1 1.914 0.030 . 2 . . . . 38 ARG HB3 . 11260 1 392 . 1 1 38 38 ARG HD2 H 1 3.256 0.030 . 1 . . . . 38 ARG HD2 . 11260 1 393 . 1 1 38 38 ARG HD3 H 1 3.256 0.030 . 1 . . . . 38 ARG HD3 . 11260 1 394 . 1 1 38 38 ARG HG2 H 1 1.565 0.030 . 2 . . . . 38 ARG HG2 . 11260 1 395 . 1 1 38 38 ARG HG3 H 1 1.800 0.030 . 2 . . . . 38 ARG HG3 . 11260 1 396 . 1 1 38 38 ARG C C 13 178.613 0.300 . 1 . . . . 38 ARG C . 11260 1 397 . 1 1 38 38 ARG CA C 13 59.641 0.300 . 1 . . . . 38 ARG CA . 11260 1 398 . 1 1 38 38 ARG CB C 13 30.281 0.300 . 1 . . . . 38 ARG CB . 11260 1 399 . 1 1 38 38 ARG CD C 13 43.770 0.300 . 1 . . . . 38 ARG CD . 11260 1 400 . 1 1 38 38 ARG CG C 13 27.862 0.300 . 1 . . . . 38 ARG CG . 11260 1 401 . 1 1 38 38 ARG N N 15 117.461 0.300 . 1 . . . . 38 ARG N . 11260 1 402 . 1 1 39 39 ALA H H 1 7.711 0.030 . 1 . . . . 39 ALA H . 11260 1 403 . 1 1 39 39 ALA HA H 1 3.296 0.030 . 1 . . . . 39 ALA HA . 11260 1 404 . 1 1 39 39 ALA HB1 H 1 1.458 0.030 . 1 . . . . 39 ALA HB . 11260 1 405 . 1 1 39 39 ALA HB2 H 1 1.458 0.030 . 1 . . . . 39 ALA HB . 11260 1 406 . 1 1 39 39 ALA HB3 H 1 1.458 0.030 . 1 . . . . 39 ALA HB . 11260 1 407 . 1 1 39 39 ALA C C 13 178.950 0.300 . 1 . . . . 39 ALA C . 11260 1 408 . 1 1 39 39 ALA CA C 13 54.711 0.300 . 1 . . . . 39 ALA CA . 11260 1 409 . 1 1 39 39 ALA CB C 13 20.376 0.300 . 1 . . . . 39 ALA CB . 11260 1 410 . 1 1 39 39 ALA N N 15 121.121 0.300 . 1 . . . . 39 ALA N . 11260 1 411 . 1 1 40 40 MET H H 1 8.809 0.030 . 1 . . . . 40 MET H . 11260 1 412 . 1 1 40 40 MET HA H 1 4.013 0.030 . 1 . . . . 40 MET HA . 11260 1 413 . 1 1 40 40 MET HB2 H 1 2.141 0.030 . 2 . . . . 40 MET HB2 . 11260 1 414 . 1 1 40 40 MET HB3 H 1 1.823 0.030 . 2 . . . . 40 MET HB3 . 11260 1 415 . 1 1 40 40 MET HE1 H 1 1.960 0.030 . 1 . . . . 40 MET HE . 11260 1 416 . 1 1 40 40 MET HE2 H 1 1.960 0.030 . 1 . . . . 40 MET HE . 11260 1 417 . 1 1 40 40 MET HE3 H 1 1.960 0.030 . 1 . . . . 40 MET HE . 11260 1 418 . 1 1 40 40 MET HG2 H 1 2.362 0.030 . 1 . . . . 40 MET HG2 . 11260 1 419 . 1 1 40 40 MET HG3 H 1 2.362 0.030 . 1 . . . . 40 MET HG3 . 11260 1 420 . 1 1 40 40 MET C C 13 179.221 0.300 . 1 . . . . 40 MET C . 11260 1 421 . 1 1 40 40 MET CA C 13 58.140 0.300 . 1 . . . . 40 MET CA . 11260 1 422 . 1 1 40 40 MET CB C 13 33.077 0.300 . 1 . . . . 40 MET CB . 11260 1 423 . 1 1 40 40 MET CE C 13 17.245 0.300 . 1 . . . . 40 MET CE . 11260 1 424 . 1 1 40 40 MET CG C 13 31.077 0.300 . 1 . . . . 40 MET CG . 11260 1 425 . 1 1 40 40 MET N N 15 119.318 0.300 . 1 . . . . 40 MET N . 11260 1 426 . 1 1 41 41 LYS H H 1 7.951 0.030 . 1 . . . . 41 LYS H . 11260 1 427 . 1 1 41 41 LYS HA H 1 3.973 0.030 . 1 . . . . 41 LYS HA . 11260 1 428 . 1 1 41 41 LYS HB2 H 1 1.841 0.030 . 2 . . . . 41 LYS HB2 . 11260 1 429 . 1 1 41 41 LYS HB3 H 1 1.895 0.030 . 2 . . . . 41 LYS HB3 . 11260 1 430 . 1 1 41 41 LYS HD2 H 1 1.629 0.030 . 1 . . . . 41 LYS HD2 . 11260 1 431 . 1 1 41 41 LYS HD3 H 1 1.629 0.030 . 1 . . . . 41 LYS HD3 . 11260 1 432 . 1 1 41 41 LYS HE2 H 1 2.842 0.030 . 1 . . . . 41 LYS HE2 . 11260 1 433 . 1 1 41 41 LYS HE3 H 1 2.842 0.030 . 1 . . . . 41 LYS HE3 . 11260 1 434 . 1 1 41 41 LYS HG2 H 1 1.462 0.030 . 2 . . . . 41 LYS HG2 . 11260 1 435 . 1 1 41 41 LYS HG3 H 1 1.542 0.030 . 2 . . . . 41 LYS HG3 . 11260 1 436 . 1 1 41 41 LYS C C 13 178.120 0.300 . 1 . . . . 41 LYS C . 11260 1 437 . 1 1 41 41 LYS CA C 13 58.795 0.300 . 1 . . . . 41 LYS CA . 11260 1 438 . 1 1 41 41 LYS CB C 13 31.679 0.300 . 1 . . . . 41 LYS CB . 11260 1 439 . 1 1 41 41 LYS CD C 13 28.815 0.300 . 1 . . . . 41 LYS CD . 11260 1 440 . 1 1 41 41 LYS CE C 13 42.125 0.300 . 1 . . . . 41 LYS CE . 11260 1 441 . 1 1 41 41 LYS CG C 13 25.099 0.300 . 1 . . . . 41 LYS CG . 11260 1 442 . 1 1 41 41 LYS N N 15 119.682 0.300 . 1 . . . . 41 LYS N . 11260 1 443 . 1 1 42 42 LYS H H 1 7.093 0.030 . 1 . . . . 42 LYS H . 11260 1 444 . 1 1 42 42 LYS HA H 1 4.196 0.030 . 1 . . . . 42 LYS HA . 11260 1 445 . 1 1 42 42 LYS HB2 H 1 1.491 0.030 . 2 . . . . 42 LYS HB2 . 11260 1 446 . 1 1 42 42 LYS HB3 H 1 1.536 0.030 . 2 . . . . 42 LYS HB3 . 11260 1 447 . 1 1 42 42 LYS HD2 H 1 1.473 0.030 . 2 . . . . 42 LYS HD2 . 11260 1 448 . 1 1 42 42 LYS HD3 H 1 1.510 0.030 . 2 . . . . 42 LYS HD3 . 11260 1 449 . 1 1 42 42 LYS HE2 H 1 2.967 0.030 . 2 . . . . 42 LYS HE2 . 11260 1 450 . 1 1 42 42 LYS HE3 H 1 2.933 0.030 . 2 . . . . 42 LYS HE3 . 11260 1 451 . 1 1 42 42 LYS HG2 H 1 1.300 0.030 . 1 . . . . 42 LYS HG2 . 11260 1 452 . 1 1 42 42 LYS HG3 H 1 1.300 0.030 . 1 . . . . 42 LYS HG3 . 11260 1 453 . 1 1 42 42 LYS C C 13 178.151 0.300 . 1 . . . . 42 LYS C . 11260 1 454 . 1 1 42 42 LYS CA C 13 57.405 0.300 . 1 . . . . 42 LYS CA . 11260 1 455 . 1 1 42 42 LYS CB C 13 33.323 0.300 . 1 . . . . 42 LYS CB . 11260 1 456 . 1 1 42 42 LYS CD C 13 28.665 0.300 . 1 . . . . 42 LYS CD . 11260 1 457 . 1 1 42 42 LYS CE C 13 42.101 0.300 . 1 . . . . 42 LYS CE . 11260 1 458 . 1 1 42 42 LYS CG C 13 24.523 0.300 . 1 . . . . 42 LYS CG . 11260 1 459 . 1 1 42 42 LYS N N 15 115.463 0.300 . 1 . . . . 42 LYS N . 11260 1 460 . 1 1 43 43 LYS H H 1 8.324 0.030 . 1 . . . . 43 LYS H . 11260 1 461 . 1 1 43 43 LYS HA H 1 4.411 0.030 . 1 . . . . 43 LYS HA . 11260 1 462 . 1 1 43 43 LYS HB2 H 1 1.648 0.030 . 2 . . . . 43 LYS HB2 . 11260 1 463 . 1 1 43 43 LYS HB3 H 1 1.796 0.030 . 2 . . . . 43 LYS HB3 . 11260 1 464 . 1 1 43 43 LYS HD2 H 1 1.544 0.030 . 2 . . . . 43 LYS HD2 . 11260 1 465 . 1 1 43 43 LYS HD3 H 1 1.622 0.030 . 2 . . . . 43 LYS HD3 . 11260 1 466 . 1 1 43 43 LYS HE2 H 1 3.115 0.030 . 2 . . . . 43 LYS HE2 . 11260 1 467 . 1 1 43 43 LYS HE3 H 1 2.831 0.030 . 2 . . . . 43 LYS HE3 . 11260 1 468 . 1 1 43 43 LYS HG2 H 1 1.154 0.030 . 2 . . . . 43 LYS HG2 . 11260 1 469 . 1 1 43 43 LYS HG3 H 1 1.261 0.030 . 2 . . . . 43 LYS HG3 . 11260 1 470 . 1 1 43 43 LYS C C 13 177.136 0.300 . 1 . . . . 43 LYS C . 11260 1 471 . 1 1 43 43 LYS CA C 13 53.995 0.300 . 1 . . . . 43 LYS CA . 11260 1 472 . 1 1 43 43 LYS CB C 13 32.738 0.300 . 1 . . . . 43 LYS CB . 11260 1 473 . 1 1 43 43 LYS CD C 13 27.099 0.300 . 1 . . . . 43 LYS CD . 11260 1 474 . 1 1 43 43 LYS CE C 13 42.013 0.300 . 1 . . . . 43 LYS CE . 11260 1 475 . 1 1 43 43 LYS CG C 13 22.934 0.300 . 1 . . . . 43 LYS CG . 11260 1 476 . 1 1 43 43 LYS N N 15 114.588 0.300 . 1 . . . . 43 LYS N . 11260 1 477 . 1 1 44 44 GLY H H 1 8.464 0.030 . 1 . . . . 44 GLY H . 11260 1 478 . 1 1 44 44 GLY HA2 H 1 4.131 0.030 . 2 . . . . 44 GLY HA2 . 11260 1 479 . 1 1 44 44 GLY HA3 H 1 3.807 0.030 . 2 . . . . 44 GLY HA3 . 11260 1 480 . 1 1 44 44 GLY C C 13 172.805 0.300 . 1 . . . . 44 GLY C . 11260 1 481 . 1 1 44 44 GLY CA C 13 44.302 0.300 . 1 . . . . 44 GLY CA . 11260 1 482 . 1 1 44 44 GLY N N 15 110.276 0.300 . 1 . . . . 44 GLY N . 11260 1 483 . 1 1 45 45 GLU H H 1 8.130 0.030 . 1 . . . . 45 GLU H . 11260 1 484 . 1 1 45 45 GLU HA H 1 4.340 0.030 . 1 . . . . 45 GLU HA . 11260 1 485 . 1 1 45 45 GLU HB2 H 1 2.092 0.030 . 2 . . . . 45 GLU HB2 . 11260 1 486 . 1 1 45 45 GLU HB3 H 1 1.857 0.030 . 2 . . . . 45 GLU HB3 . 11260 1 487 . 1 1 45 45 GLU HG2 H 1 2.163 0.030 . 1 . . . . 45 GLU HG2 . 11260 1 488 . 1 1 45 45 GLU HG3 H 1 2.163 0.030 . 1 . . . . 45 GLU HG3 . 11260 1 489 . 1 1 45 45 GLU C C 13 175.459 0.300 . 1 . . . . 45 GLU C . 11260 1 490 . 1 1 45 45 GLU CA C 13 55.400 0.300 . 1 . . . . 45 GLU CA . 11260 1 491 . 1 1 45 45 GLU CB C 13 29.003 0.300 . 1 . . . . 45 GLU CB . 11260 1 492 . 1 1 45 45 GLU CG C 13 36.532 0.300 . 1 . . . . 45 GLU CG . 11260 1 493 . 1 1 45 45 GLU N N 15 117.350 0.300 . 1 . . . . 45 GLU N . 11260 1 494 . 1 1 46 46 ASN H H 1 7.714 0.030 . 1 . . . . 46 ASN H . 11260 1 495 . 1 1 46 46 ASN HA H 1 4.777 0.030 . 1 . . . . 46 ASN HA . 11260 1 496 . 1 1 46 46 ASN HB2 H 1 2.579 0.030 . 2 . . . . 46 ASN HB2 . 11260 1 497 . 1 1 46 46 ASN HB3 H 1 2.684 0.030 . 2 . . . . 46 ASN HB3 . 11260 1 498 . 1 1 46 46 ASN HD21 H 1 7.055 0.030 . 2 . . . . 46 ASN HD21 . 11260 1 499 . 1 1 46 46 ASN HD22 H 1 7.739 0.030 . 2 . . . . 46 ASN HD22 . 11260 1 500 . 1 1 46 46 ASN C C 13 174.968 0.300 . 1 . . . . 46 ASN C . 11260 1 501 . 1 1 46 46 ASN CA C 13 52.684 0.300 . 1 . . . . 46 ASN CA . 11260 1 502 . 1 1 46 46 ASN CB C 13 39.776 0.300 . 1 . . . . 46 ASN CB . 11260 1 503 . 1 1 46 46 ASN N N 15 121.660 0.300 . 1 . . . . 46 ASN N . 11260 1 504 . 1 1 46 46 ASN ND2 N 15 113.674 0.300 . 1 . . . . 46 ASN ND2 . 11260 1 505 . 1 1 47 47 ILE H H 1 8.816 0.030 . 1 . . . . 47 ILE H . 11260 1 506 . 1 1 47 47 ILE HA H 1 3.413 0.030 . 1 . . . . 47 ILE HA . 11260 1 507 . 1 1 47 47 ILE HB H 1 1.819 0.030 . 1 . . . . 47 ILE HB . 11260 1 508 . 1 1 47 47 ILE HD11 H 1 0.931 0.030 . 1 . . . . 47 ILE HD1 . 11260 1 509 . 1 1 47 47 ILE HD12 H 1 0.931 0.030 . 1 . . . . 47 ILE HD1 . 11260 1 510 . 1 1 47 47 ILE HD13 H 1 0.931 0.030 . 1 . . . . 47 ILE HD1 . 11260 1 511 . 1 1 47 47 ILE HG12 H 1 1.123 0.030 . 2 . . . . 47 ILE HG12 . 11260 1 512 . 1 1 47 47 ILE HG13 H 1 1.681 0.030 . 2 . . . . 47 ILE HG13 . 11260 1 513 . 1 1 47 47 ILE HG21 H 1 0.849 0.030 . 1 . . . . 47 ILE HG2 . 11260 1 514 . 1 1 47 47 ILE HG22 H 1 0.849 0.030 . 1 . . . . 47 ILE HG2 . 11260 1 515 . 1 1 47 47 ILE HG23 H 1 0.849 0.030 . 1 . . . . 47 ILE HG2 . 11260 1 516 . 1 1 47 47 ILE C C 13 176.275 0.300 . 1 . . . . 47 ILE C . 11260 1 517 . 1 1 47 47 ILE CA C 13 65.978 0.300 . 1 . . . . 47 ILE CA . 11260 1 518 . 1 1 47 47 ILE CB C 13 37.737 0.300 . 1 . . . . 47 ILE CB . 11260 1 519 . 1 1 47 47 ILE CD1 C 13 13.268 0.300 . 1 . . . . 47 ILE CD1 . 11260 1 520 . 1 1 47 47 ILE CG1 C 13 29.909 0.300 . 1 . . . . 47 ILE CG1 . 11260 1 521 . 1 1 47 47 ILE CG2 C 13 16.872 0.300 . 1 . . . . 47 ILE CG2 . 11260 1 522 . 1 1 47 47 ILE N N 15 126.781 0.300 . 1 . . . . 47 ILE N . 11260 1 523 . 1 1 48 48 GLU H H 1 8.336 0.030 . 1 . . . . 48 GLU H . 11260 1 524 . 1 1 48 48 GLU HA H 1 3.894 0.030 . 1 . . . . 48 GLU HA . 11260 1 525 . 1 1 48 48 GLU HB2 H 1 2.063 0.030 . 2 . . . . 48 GLU HB2 . 11260 1 526 . 1 1 48 48 GLU HB3 H 1 2.120 0.030 . 2 . . . . 48 GLU HB3 . 11260 1 527 . 1 1 48 48 GLU HG2 H 1 2.301 0.030 . 1 . . . . 48 GLU HG2 . 11260 1 528 . 1 1 48 48 GLU HG3 H 1 2.301 0.030 . 1 . . . . 48 GLU HG3 . 11260 1 529 . 1 1 48 48 GLU C C 13 179.507 0.300 . 1 . . . . 48 GLU C . 11260 1 530 . 1 1 48 48 GLU CA C 13 60.518 0.300 . 1 . . . . 48 GLU CA . 11260 1 531 . 1 1 48 48 GLU CB C 13 28.883 0.300 . 1 . . . . 48 GLU CB . 11260 1 532 . 1 1 48 48 GLU CG C 13 36.865 0.300 . 1 . . . . 48 GLU CG . 11260 1 533 . 1 1 48 48 GLU N N 15 118.918 0.300 . 1 . . . . 48 GLU N . 11260 1 534 . 1 1 49 49 GLN H H 1 7.815 0.030 . 1 . . . . 49 GLN H . 11260 1 535 . 1 1 49 49 GLN HA H 1 4.121 0.030 . 1 . . . . 49 GLN HA . 11260 1 536 . 1 1 49 49 GLN HB2 H 1 1.912 0.030 . 1 . . . . 49 GLN HB2 . 11260 1 537 . 1 1 49 49 GLN HB3 H 1 1.912 0.030 . 1 . . . . 49 GLN HB3 . 11260 1 538 . 1 1 49 49 GLN HE21 H 1 7.457 0.030 . 2 . . . . 49 GLN HE21 . 11260 1 539 . 1 1 49 49 GLN HE22 H 1 6.844 0.030 . 2 . . . . 49 GLN HE22 . 11260 1 540 . 1 1 49 49 GLN HG2 H 1 2.491 0.030 . 2 . . . . 49 GLN HG2 . 11260 1 541 . 1 1 49 49 GLN HG3 H 1 2.404 0.030 . 2 . . . . 49 GLN HG3 . 11260 1 542 . 1 1 49 49 GLN C C 13 179.526 0.300 . 1 . . . . 49 GLN C . 11260 1 543 . 1 1 49 49 GLN CA C 13 58.561 0.300 . 1 . . . . 49 GLN CA . 11260 1 544 . 1 1 49 49 GLN CB C 13 28.914 0.300 . 1 . . . . 49 GLN CB . 11260 1 545 . 1 1 49 49 GLN CG C 13 34.380 0.300 . 1 . . . . 49 GLN CG . 11260 1 546 . 1 1 49 49 GLN N N 15 117.186 0.300 . 1 . . . . 49 GLN N . 11260 1 547 . 1 1 49 49 GLN NE2 N 15 112.196 0.300 . 1 . . . . 49 GLN NE2 . 11260 1 548 . 1 1 50 50 ILE H H 1 8.393 0.030 . 1 . . . . 50 ILE H . 11260 1 549 . 1 1 50 50 ILE HA H 1 3.357 0.030 . 1 . . . . 50 ILE HA . 11260 1 550 . 1 1 50 50 ILE HB H 1 1.933 0.030 . 1 . . . . 50 ILE HB . 11260 1 551 . 1 1 50 50 ILE HD11 H 1 0.725 0.030 . 1 . . . . 50 ILE HD1 . 11260 1 552 . 1 1 50 50 ILE HD12 H 1 0.725 0.030 . 1 . . . . 50 ILE HD1 . 11260 1 553 . 1 1 50 50 ILE HD13 H 1 0.725 0.030 . 1 . . . . 50 ILE HD1 . 11260 1 554 . 1 1 50 50 ILE HG12 H 1 1.795 0.030 . 2 . . . . 50 ILE HG12 . 11260 1 555 . 1 1 50 50 ILE HG13 H 1 0.478 0.030 . 2 . . . . 50 ILE HG13 . 11260 1 556 . 1 1 50 50 ILE HG21 H 1 0.764 0.030 . 1 . . . . 50 ILE HG2 . 11260 1 557 . 1 1 50 50 ILE HG22 H 1 0.764 0.030 . 1 . . . . 50 ILE HG2 . 11260 1 558 . 1 1 50 50 ILE HG23 H 1 0.764 0.030 . 1 . . . . 50 ILE HG2 . 11260 1 559 . 1 1 50 50 ILE C C 13 177.481 0.300 . 1 . . . . 50 ILE C . 11260 1 560 . 1 1 50 50 ILE CA C 13 66.386 0.300 . 1 . . . . 50 ILE CA . 11260 1 561 . 1 1 50 50 ILE CB C 13 38.080 0.300 . 1 . . . . 50 ILE CB . 11260 1 562 . 1 1 50 50 ILE CD1 C 13 14.289 0.300 . 1 . . . . 50 ILE CD1 . 11260 1 563 . 1 1 50 50 ILE CG1 C 13 29.908 0.300 . 1 . . . . 50 ILE CG1 . 11260 1 564 . 1 1 50 50 ILE CG2 C 13 17.595 0.300 . 1 . . . . 50 ILE CG2 . 11260 1 565 . 1 1 50 50 ILE N N 15 122.755 0.300 . 1 . . . . 50 ILE N . 11260 1 566 . 1 1 51 51 LEU H H 1 8.558 0.030 . 1 . . . . 51 LEU H . 11260 1 567 . 1 1 51 51 LEU HA H 1 3.720 0.030 . 1 . . . . 51 LEU HA . 11260 1 568 . 1 1 51 51 LEU HB2 H 1 1.283 0.030 . 2 . . . . 51 LEU HB2 . 11260 1 569 . 1 1 51 51 LEU HB3 H 1 1.835 0.030 . 2 . . . . 51 LEU HB3 . 11260 1 570 . 1 1 51 51 LEU HD11 H 1 0.864 0.030 . 1 . . . . 51 LEU HD1 . 11260 1 571 . 1 1 51 51 LEU HD12 H 1 0.864 0.030 . 1 . . . . 51 LEU HD1 . 11260 1 572 . 1 1 51 51 LEU HD13 H 1 0.864 0.030 . 1 . . . . 51 LEU HD1 . 11260 1 573 . 1 1 51 51 LEU HD21 H 1 0.861 0.030 . 1 . . . . 51 LEU HD2 . 11260 1 574 . 1 1 51 51 LEU HD22 H 1 0.861 0.030 . 1 . . . . 51 LEU HD2 . 11260 1 575 . 1 1 51 51 LEU HD23 H 1 0.861 0.030 . 1 . . . . 51 LEU HD2 . 11260 1 576 . 1 1 51 51 LEU HG H 1 1.729 0.030 . 1 . . . . 51 LEU HG . 11260 1 577 . 1 1 51 51 LEU C C 13 179.029 0.300 . 1 . . . . 51 LEU C . 11260 1 578 . 1 1 51 51 LEU CA C 13 58.261 0.300 . 1 . . . . 51 LEU CA . 11260 1 579 . 1 1 51 51 LEU CB C 13 41.062 0.300 . 1 . . . . 51 LEU CB . 11260 1 580 . 1 1 51 51 LEU CD1 C 13 25.943 0.300 . 2 . . . . 51 LEU CD1 . 11260 1 581 . 1 1 51 51 LEU CD2 C 13 23.207 0.300 . 2 . . . . 51 LEU CD2 . 11260 1 582 . 1 1 51 51 LEU CG C 13 27.112 0.300 . 1 . . . . 51 LEU CG . 11260 1 583 . 1 1 51 51 LEU N N 15 119.550 0.300 . 1 . . . . 51 LEU N . 11260 1 584 . 1 1 52 52 ASP H H 1 7.857 0.030 . 1 . . . . 52 ASP H . 11260 1 585 . 1 1 52 52 ASP HA H 1 4.386 0.030 . 1 . . . . 52 ASP HA . 11260 1 586 . 1 1 52 52 ASP HB2 H 1 2.716 0.030 . 2 . . . . 52 ASP HB2 . 11260 1 587 . 1 1 52 52 ASP HB3 H 1 2.764 0.030 . 2 . . . . 52 ASP HB3 . 11260 1 588 . 1 1 52 52 ASP C C 13 178.677 0.300 . 1 . . . . 52 ASP C . 11260 1 589 . 1 1 52 52 ASP CA C 13 57.731 0.300 . 1 . . . . 52 ASP CA . 11260 1 590 . 1 1 52 52 ASP CB C 13 41.337 0.300 . 1 . . . . 52 ASP CB . 11260 1 591 . 1 1 52 52 ASP N N 15 119.027 0.300 . 1 . . . . 52 ASP N . 11260 1 592 . 1 1 53 53 TYR H H 1 7.888 0.030 . 1 . . . . 53 TYR H . 11260 1 593 . 1 1 53 53 TYR HA H 1 4.269 0.030 . 1 . . . . 53 TYR HA . 11260 1 594 . 1 1 53 53 TYR HB2 H 1 3.269 0.030 . 2 . . . . 53 TYR HB2 . 11260 1 595 . 1 1 53 53 TYR HB3 H 1 3.027 0.030 . 2 . . . . 53 TYR HB3 . 11260 1 596 . 1 1 53 53 TYR HD1 H 1 6.961 0.030 . 1 . . . . 53 TYR HD1 . 11260 1 597 . 1 1 53 53 TYR HD2 H 1 6.961 0.030 . 1 . . . . 53 TYR HD2 . 11260 1 598 . 1 1 53 53 TYR HE1 H 1 6.612 0.030 . 1 . . . . 53 TYR HE1 . 11260 1 599 . 1 1 53 53 TYR HE2 H 1 6.612 0.030 . 1 . . . . 53 TYR HE2 . 11260 1 600 . 1 1 53 53 TYR C C 13 178.466 0.300 . 1 . . . . 53 TYR C . 11260 1 601 . 1 1 53 53 TYR CA C 13 61.773 0.300 . 1 . . . . 53 TYR CA . 11260 1 602 . 1 1 53 53 TYR CB C 13 38.654 0.300 . 1 . . . . 53 TYR CB . 11260 1 603 . 1 1 53 53 TYR CD1 C 13 132.763 0.300 . 1 . . . . 53 TYR CD1 . 11260 1 604 . 1 1 53 53 TYR CD2 C 13 132.763 0.300 . 1 . . . . 53 TYR CD2 . 11260 1 605 . 1 1 53 53 TYR CE1 C 13 117.825 0.300 . 1 . . . . 53 TYR CE1 . 11260 1 606 . 1 1 53 53 TYR CE2 C 13 117.825 0.300 . 1 . . . . 53 TYR CE2 . 11260 1 607 . 1 1 53 53 TYR N N 15 120.629 0.300 . 1 . . . . 53 TYR N . 11260 1 608 . 1 1 54 54 LEU H H 1 8.659 0.030 . 1 . . . . 54 LEU H . 11260 1 609 . 1 1 54 54 LEU HA H 1 3.905 0.030 . 1 . . . . 54 LEU HA . 11260 1 610 . 1 1 54 54 LEU HB2 H 1 1.534 0.030 . 2 . . . . 54 LEU HB2 . 11260 1 611 . 1 1 54 54 LEU HB3 H 1 1.073 0.030 . 2 . . . . 54 LEU HB3 . 11260 1 612 . 1 1 54 54 LEU HD11 H 1 0.015 0.030 . 1 . . . . 54 LEU HD1 . 11260 1 613 . 1 1 54 54 LEU HD12 H 1 0.015 0.030 . 1 . . . . 54 LEU HD1 . 11260 1 614 . 1 1 54 54 LEU HD13 H 1 0.015 0.030 . 1 . . . . 54 LEU HD1 . 11260 1 615 . 1 1 54 54 LEU HD21 H 1 0.708 0.030 . 1 . . . . 54 LEU HD2 . 11260 1 616 . 1 1 54 54 LEU HD22 H 1 0.708 0.030 . 1 . . . . 54 LEU HD2 . 11260 1 617 . 1 1 54 54 LEU HD23 H 1 0.708 0.030 . 1 . . . . 54 LEU HD2 . 11260 1 618 . 1 1 54 54 LEU HG H 1 1.706 0.030 . 1 . . . . 54 LEU HG . 11260 1 619 . 1 1 54 54 LEU C C 13 179.637 0.300 . 1 . . . . 54 LEU C . 11260 1 620 . 1 1 54 54 LEU CA C 13 57.537 0.300 . 1 . . . . 54 LEU CA . 11260 1 621 . 1 1 54 54 LEU CB C 13 40.916 0.300 . 1 . . . . 54 LEU CB . 11260 1 622 . 1 1 54 54 LEU CD1 C 13 26.560 0.300 . 2 . . . . 54 LEU CD1 . 11260 1 623 . 1 1 54 54 LEU CD2 C 13 22.852 0.300 . 2 . . . . 54 LEU CD2 . 11260 1 624 . 1 1 54 54 LEU CG C 13 26.476 0.300 . 1 . . . . 54 LEU CG . 11260 1 625 . 1 1 54 54 LEU N N 15 120.729 0.300 . 1 . . . . 54 LEU N . 11260 1 626 . 1 1 55 55 PHE H H 1 8.574 0.030 . 1 . . . . 55 PHE H . 11260 1 627 . 1 1 55 55 PHE HA H 1 4.384 0.030 . 1 . . . . 55 PHE HA . 11260 1 628 . 1 1 55 55 PHE HB2 H 1 3.327 0.030 . 2 . . . . 55 PHE HB2 . 11260 1 629 . 1 1 55 55 PHE HB3 H 1 3.182 0.030 . 2 . . . . 55 PHE HB3 . 11260 1 630 . 1 1 55 55 PHE HD1 H 1 7.281 0.030 . 1 . . . . 55 PHE HD1 . 11260 1 631 . 1 1 55 55 PHE HD2 H 1 7.281 0.030 . 1 . . . . 55 PHE HD2 . 11260 1 632 . 1 1 55 55 PHE HE1 H 1 7.370 0.030 . 1 . . . . 55 PHE HE1 . 11260 1 633 . 1 1 55 55 PHE HE2 H 1 7.370 0.030 . 1 . . . . 55 PHE HE2 . 11260 1 634 . 1 1 55 55 PHE HZ H 1 7.300 0.030 . 1 . . . . 55 PHE HZ . 11260 1 635 . 1 1 55 55 PHE C C 13 177.775 0.300 . 1 . . . . 55 PHE C . 11260 1 636 . 1 1 55 55 PHE CA C 13 60.096 0.300 . 1 . . . . 55 PHE CA . 11260 1 637 . 1 1 55 55 PHE CB C 13 38.541 0.300 . 1 . . . . 55 PHE CB . 11260 1 638 . 1 1 55 55 PHE CD1 C 13 131.466 0.300 . 1 . . . . 55 PHE CD1 . 11260 1 639 . 1 1 55 55 PHE CD2 C 13 131.466 0.300 . 1 . . . . 55 PHE CD2 . 11260 1 640 . 1 1 55 55 PHE CE1 C 13 131.366 0.300 . 1 . . . . 55 PHE CE1 . 11260 1 641 . 1 1 55 55 PHE CE2 C 13 131.366 0.300 . 1 . . . . 55 PHE CE2 . 11260 1 642 . 1 1 55 55 PHE CZ C 13 129.766 0.300 . 1 . . . . 55 PHE CZ . 11260 1 643 . 1 1 55 55 PHE N N 15 120.116 0.300 . 1 . . . . 55 PHE N . 11260 1 644 . 1 1 56 56 ALA H H 1 7.579 0.030 . 1 . . . . 56 ALA H . 11260 1 645 . 1 1 56 56 ALA HA H 1 4.143 0.030 . 1 . . . . 56 ALA HA . 11260 1 646 . 1 1 56 56 ALA HB1 H 1 1.240 0.030 . 1 . . . . 56 ALA HB . 11260 1 647 . 1 1 56 56 ALA HB2 H 1 1.240 0.030 . 1 . . . . 56 ALA HB . 11260 1 648 . 1 1 56 56 ALA HB3 H 1 1.240 0.030 . 1 . . . . 56 ALA HB . 11260 1 649 . 1 1 56 56 ALA C C 13 178.043 0.300 . 1 . . . . 56 ALA C . 11260 1 650 . 1 1 56 56 ALA CA C 13 53.167 0.300 . 1 . . . . 56 ALA CA . 11260 1 651 . 1 1 56 56 ALA CB C 13 18.950 0.300 . 1 . . . . 56 ALA CB . 11260 1 652 . 1 1 56 56 ALA N N 15 119.560 0.300 . 1 . . . . 56 ALA N . 11260 1 653 . 1 1 57 57 HIS H H 1 7.706 0.030 . 1 . . . . 57 HIS H . 11260 1 654 . 1 1 57 57 HIS HA H 1 4.594 0.030 . 1 . . . . 57 HIS HA . 11260 1 655 . 1 1 57 57 HIS HB2 H 1 3.189 0.030 . 2 . . . . 57 HIS HB2 . 11260 1 656 . 1 1 57 57 HIS HB3 H 1 2.495 0.030 . 2 . . . . 57 HIS HB3 . 11260 1 657 . 1 1 57 57 HIS HD2 H 1 6.725 0.030 . 1 . . . . 57 HIS HD2 . 11260 1 658 . 1 1 57 57 HIS HE1 H 1 7.871 0.030 . 1 . . . . 57 HIS HE1 . 11260 1 659 . 1 1 57 57 HIS C C 13 174.870 0.300 . 1 . . . . 57 HIS C . 11260 1 660 . 1 1 57 57 HIS CA C 13 56.531 0.300 . 1 . . . . 57 HIS CA . 11260 1 661 . 1 1 57 57 HIS CB C 13 29.335 0.300 . 1 . . . . 57 HIS CB . 11260 1 662 . 1 1 57 57 HIS CD2 C 13 121.641 0.300 . 1 . . . . 57 HIS CD2 . 11260 1 663 . 1 1 57 57 HIS CE1 C 13 137.263 0.300 . 1 . . . . 57 HIS CE1 . 11260 1 664 . 1 1 57 57 HIS N N 15 115.740 0.300 . 1 . . . . 57 HIS N . 11260 1 665 . 1 1 58 58 SER H H 1 7.996 0.030 . 1 . . . . 58 SER H . 11260 1 666 . 1 1 58 58 SER HA H 1 4.587 0.030 . 1 . . . . 58 SER HA . 11260 1 667 . 1 1 58 58 SER HB2 H 1 3.983 0.030 . 1 . . . . 58 SER HB2 . 11260 1 668 . 1 1 58 58 SER HB3 H 1 3.983 0.030 . 1 . . . . 58 SER HB3 . 11260 1 669 . 1 1 58 58 SER C C 13 174.584 0.300 . 1 . . . . 58 SER C . 11260 1 670 . 1 1 58 58 SER CA C 13 58.932 0.300 . 1 . . . . 58 SER CA . 11260 1 671 . 1 1 58 58 SER CB C 13 64.373 0.300 . 1 . . . . 58 SER CB . 11260 1 672 . 1 1 58 58 SER N N 15 115.966 0.300 . 1 . . . . 58 SER N . 11260 1 673 . 1 1 59 59 GLY H H 1 8.261 0.030 . 1 . . . . 59 GLY H . 11260 1 674 . 1 1 59 59 GLY HA2 H 1 4.121 0.030 . 1 . . . . 59 GLY HA2 . 11260 1 675 . 1 1 59 59 GLY HA3 H 1 4.121 0.030 . 1 . . . . 59 GLY HA3 . 11260 1 676 . 1 1 59 59 GLY C C 13 171.795 0.300 . 1 . . . . 59 GLY C . 11260 1 677 . 1 1 59 59 GLY CA C 13 44.672 0.300 . 1 . . . . 59 GLY CA . 11260 1 678 . 1 1 59 59 GLY N N 15 110.778 0.300 . 1 . . . . 59 GLY N . 11260 1 679 . 1 1 60 60 PRO HA H 1 4.452 0.030 . 1 . . . . 60 PRO HA . 11260 1 680 . 1 1 60 60 PRO HB2 H 1 1.980 0.030 . 2 . . . . 60 PRO HB2 . 11260 1 681 . 1 1 60 60 PRO HB3 H 1 2.273 0.030 . 2 . . . . 60 PRO HB3 . 11260 1 682 . 1 1 60 60 PRO HD2 H 1 3.619 0.030 . 1 . . . . 60 PRO HD2 . 11260 1 683 . 1 1 60 60 PRO HD3 H 1 3.619 0.030 . 1 . . . . 60 PRO HD3 . 11260 1 684 . 1 1 60 60 PRO HG2 H 1 2.010 0.030 . 1 . . . . 60 PRO HG2 . 11260 1 685 . 1 1 60 60 PRO HG3 H 1 2.010 0.030 . 1 . . . . 60 PRO HG3 . 11260 1 686 . 1 1 60 60 PRO CA C 13 63.281 0.300 . 1 . . . . 60 PRO CA . 11260 1 687 . 1 1 60 60 PRO CB C 13 32.216 0.300 . 1 . . . . 60 PRO CB . 11260 1 688 . 1 1 60 60 PRO CD C 13 49.870 0.300 . 1 . . . . 60 PRO CD . 11260 1 689 . 1 1 60 60 PRO CG C 13 27.128 0.300 . 1 . . . . 60 PRO CG . 11260 1 stop_ save_