data_10048 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10048 _Entry.Title ; Solution Structure of the UBA Domain of Human Tudor Domain Containing Protein 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-09 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Y. Kamatari . . . 10048 2 N. Tochio . . . 10048 3 T. Nakanishi . . . 10048 4 K. Miyamoto . . . 10048 5 H. Li . . . 10048 6 N. Kobayashi . . . 10048 7 T. Tomizawa . . . 10048 8 S. Koshiba . . . 10048 9 M. Inoue . . . 10048 10 T. Kigawa . . . 10048 11 S. Yokoyama . . . 10048 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10048 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10048 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 10048 '15N chemical shifts' 59 10048 '1H chemical shifts' 379 10048 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 . . 2008-08-13 2006-11-09 original author . 10048 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJI 'BMRB Entry Tracking System' 10048 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10048 _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 the UBA Domain of Human Tudor Domain Containing Protein 3' _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 Y. Kamatari . . . 10048 1 2 N. Tochio . . . 10048 1 3 T. Nakanishi . . . 10048 1 4 K. Miyamoto . . . 10048 1 5 H. Li . . . 10048 1 6 N. Kobayashi . . . 10048 1 7 T. Tomizawa . . . 10048 1 8 S. Koshiba . . . 10048 1 9 M. Inoue . . . 10048 1 10 T. Kigawa . . . 10048 1 11 S. Yokoyama . . . 10048 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10048 _Assembly.ID 1 _Assembly.Name 'Tudor domain containing protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10048 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Tudor domain containing protein 3' 1 $entity_1 . . yes native no no . . . 10048 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WJI . . . . . . 10048 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10048 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVDEKALKHITEMG FSKEASRQALMDNGNNLEAA LNVLLTSNKQKPVMGPPSGP 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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WJI . "Solution Structure Of The Uba Domain Of Human Tudor Domain Containing Protein 3" . . . . . 100.00 63 100.00 100.00 2.31e-35 . . . . 10048 1 2 no DBJ BAB14950 . "unnamed protein product [Homo sapiens]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 3 no DBJ BAJ17879 . "tudor domain containing 3 [synthetic construct]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 4 no DBJ BAK63800 . "tudor domain-containing protein 3 [Pan troglodytes]" . . . . . 79.37 533 100.00 100.00 2.34e-24 . . . . 10048 1 5 no EMBL CAD97894 . "hypothetical protein [Homo sapiens]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 6 no EMBL CAL37786 . "hypothetical protein [synthetic construct]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 7 no GB AAH30514 . "Tudor domain containing 3 [Homo sapiens]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 8 no GB AAH60876 . "Tudor domain containing 3 [Homo sapiens]" . . . . . 79.37 650 100.00 100.00 5.16e-24 . . . . 10048 1 9 no GB ACC94142 . "tudor domain-containing protein 3 [Homo sapiens]" . . . . . 79.37 744 100.00 100.00 7.24e-24 . . . . 10048 1 10 no GB AIC52422 . "TDRD3, partial [synthetic construct]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 11 no GB EAW52079 . "tudor domain containing 3, isoform CRA_a [Homo sapiens]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 12 no REF NP_001139542 . "tudor domain-containing protein 3 isoform 1 [Homo sapiens]" . . . . . 79.37 744 100.00 100.00 7.24e-24 . . . . 10048 1 13 no REF NP_001139543 . "tudor domain-containing protein 3 isoform 2 [Homo sapiens]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 14 no REF NP_110421 . "tudor domain-containing protein 3 isoform 2 [Homo sapiens]" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 15 no REF XP_002808194 . "PREDICTED: LOW QUALITY PROTEIN: tudor domain-containing protein 3-like [Macaca mulatta]" . . . . . 79.37 651 100.00 100.00 5.44e-24 . . . . 10048 1 16 no REF XP_003257452 . "PREDICTED: tudor domain-containing protein 3 isoform X2 [Nomascus leucogenys]" . . . . . 79.37 651 100.00 100.00 5.18e-24 . . . . 10048 1 17 no SP Q9H7E2 . "RecName: Full=Tudor domain-containing protein 3" . . . . . 79.37 651 100.00 100.00 5.34e-24 . . . . 10048 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBA domain' . 10048 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 . 10048 1 2 . SER . 10048 1 3 . SER . 10048 1 4 . GLY . 10048 1 5 . SER . 10048 1 6 . SER . 10048 1 7 . GLY . 10048 1 8 . VAL . 10048 1 9 . ASP . 10048 1 10 . GLU . 10048 1 11 . LYS . 10048 1 12 . ALA . 10048 1 13 . LEU . 10048 1 14 . LYS . 10048 1 15 . HIS . 10048 1 16 . ILE . 10048 1 17 . THR . 10048 1 18 . GLU . 10048 1 19 . MET . 10048 1 20 . GLY . 10048 1 21 . PHE . 10048 1 22 . SER . 10048 1 23 . LYS . 10048 1 24 . GLU . 10048 1 25 . ALA . 10048 1 26 . SER . 10048 1 27 . ARG . 10048 1 28 . GLN . 10048 1 29 . ALA . 10048 1 30 . LEU . 10048 1 31 . MET . 10048 1 32 . ASP . 10048 1 33 . ASN . 10048 1 34 . GLY . 10048 1 35 . ASN . 10048 1 36 . ASN . 10048 1 37 . LEU . 10048 1 38 . GLU . 10048 1 39 . ALA . 10048 1 40 . ALA . 10048 1 41 . LEU . 10048 1 42 . ASN . 10048 1 43 . VAL . 10048 1 44 . LEU . 10048 1 45 . LEU . 10048 1 46 . THR . 10048 1 47 . SER . 10048 1 48 . ASN . 10048 1 49 . LYS . 10048 1 50 . GLN . 10048 1 51 . LYS . 10048 1 52 . PRO . 10048 1 53 . VAL . 10048 1 54 . MET . 10048 1 55 . GLY . 10048 1 56 . PRO . 10048 1 57 . PRO . 10048 1 58 . SER . 10048 1 59 . GLY . 10048 1 60 . PRO . 10048 1 61 . SER . 10048 1 62 . SER . 10048 1 63 . GLY . 10048 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 10048 1 . SER 2 2 10048 1 . SER 3 3 10048 1 . GLY 4 4 10048 1 . SER 5 5 10048 1 . SER 6 6 10048 1 . GLY 7 7 10048 1 . VAL 8 8 10048 1 . ASP 9 9 10048 1 . GLU 10 10 10048 1 . LYS 11 11 10048 1 . ALA 12 12 10048 1 . LEU 13 13 10048 1 . LYS 14 14 10048 1 . HIS 15 15 10048 1 . ILE 16 16 10048 1 . THR 17 17 10048 1 . GLU 18 18 10048 1 . MET 19 19 10048 1 . GLY 20 20 10048 1 . PHE 21 21 10048 1 . SER 22 22 10048 1 . LYS 23 23 10048 1 . GLU 24 24 10048 1 . ALA 25 25 10048 1 . SER 26 26 10048 1 . ARG 27 27 10048 1 . GLN 28 28 10048 1 . ALA 29 29 10048 1 . LEU 30 30 10048 1 . MET 31 31 10048 1 . ASP 32 32 10048 1 . ASN 33 33 10048 1 . GLY 34 34 10048 1 . ASN 35 35 10048 1 . ASN 36 36 10048 1 . LEU 37 37 10048 1 . GLU 38 38 10048 1 . ALA 39 39 10048 1 . ALA 40 40 10048 1 . LEU 41 41 10048 1 . ASN 42 42 10048 1 . VAL 43 43 10048 1 . LEU 44 44 10048 1 . LEU 45 45 10048 1 . THR 46 46 10048 1 . SER 47 47 10048 1 . ASN 48 48 10048 1 . LYS 49 49 10048 1 . GLN 50 50 10048 1 . LYS 51 51 10048 1 . PRO 52 52 10048 1 . VAL 53 53 10048 1 . MET 54 54 10048 1 . GLY 55 55 10048 1 . PRO 56 56 10048 1 . PRO 57 57 10048 1 . SER 58 58 10048 1 . GLY 59 59 10048 1 . PRO 60 60 10048 1 . SER 61 61 10048 1 . SER 62 62 10048 1 . GLY 63 63 10048 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 10048 _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 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10048 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 10048 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P040301-26 . . . . . . 10048 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10048 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBA domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.04 . . mM . . . . 10048 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10048 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10048 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10048 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10048 1 6 H2O . . . . . . solvent 90 . . % . . . . 10048 1 7 D2O . . . . . . solvent 10 . . % . . . . 10048 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 10048 _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' 120 0.1 mM 10048 1 pH 7.0 0.05 pH 10048 1 pressure 1 0.001 atm 10048 1 temperature 298 0.1 K 10048 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10048 _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 . . 10048 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10048 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10048 _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.' . . 10048 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10048 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10048 _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.' . . 10048 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10048 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10048 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8998 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10048 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10048 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10048 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10048 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10048 5 'structure solution' 10048 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 10048 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10048 _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 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10048 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10048 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10048 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10048 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10048 _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 . . . . . . . . . 10048 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10048 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10048 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 10048 _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 10048 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10048 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 4.504 0.030 . 1 . . . . 6 SER HA . 10048 1 2 . 1 1 6 6 SER HB2 H 1 3.921 0.030 . 2 . . . . 6 SER HB2 . 10048 1 3 . 1 1 6 6 SER C C 13 174.869 0.300 . 1 . . . . 6 SER C . 10048 1 4 . 1 1 6 6 SER CA C 13 58.718 0.300 . 1 . . . . 6 SER CA . 10048 1 5 . 1 1 6 6 SER CB C 13 64.038 0.300 . 1 . . . . 6 SER CB . 10048 1 6 . 1 1 7 7 GLY H H 1 8.302 0.030 . 1 . . . . 7 GLY H . 10048 1 7 . 1 1 7 7 GLY HA2 H 1 3.995 0.030 . 1 . . . . 7 GLY HA2 . 10048 1 8 . 1 1 7 7 GLY HA3 H 1 3.995 0.030 . 1 . . . . 7 GLY HA3 . 10048 1 9 . 1 1 7 7 GLY C C 13 173.647 0.300 . 1 . . . . 7 GLY C . 10048 1 10 . 1 1 7 7 GLY CA C 13 45.131 0.300 . 1 . . . . 7 GLY CA . 10048 1 11 . 1 1 7 7 GLY N N 15 110.186 0.300 . 1 . . . . 7 GLY N . 10048 1 12 . 1 1 8 8 VAL H H 1 7.969 0.030 . 1 . . . . 8 VAL H . 10048 1 13 . 1 1 8 8 VAL HA H 1 4.406 0.030 . 1 . . . . 8 VAL HA . 10048 1 14 . 1 1 8 8 VAL HB H 1 2.041 0.030 . 1 . . . . 8 VAL HB . 10048 1 15 . 1 1 8 8 VAL HG11 H 1 0.940 0.030 . 1 . . . . 8 VAL HG1 . 10048 1 16 . 1 1 8 8 VAL HG12 H 1 0.940 0.030 . 1 . . . . 8 VAL HG1 . 10048 1 17 . 1 1 8 8 VAL HG13 H 1 0.940 0.030 . 1 . . . . 8 VAL HG1 . 10048 1 18 . 1 1 8 8 VAL HG21 H 1 0.878 0.030 . 1 . . . . 8 VAL HG2 . 10048 1 19 . 1 1 8 8 VAL HG22 H 1 0.878 0.030 . 1 . . . . 8 VAL HG2 . 10048 1 20 . 1 1 8 8 VAL HG23 H 1 0.878 0.030 . 1 . . . . 8 VAL HG2 . 10048 1 21 . 1 1 8 8 VAL C C 13 174.964 0.300 . 1 . . . . 8 VAL C . 10048 1 22 . 1 1 8 8 VAL CA C 13 60.935 0.300 . 1 . . . . 8 VAL CA . 10048 1 23 . 1 1 8 8 VAL CB C 13 33.680 0.300 . 1 . . . . 8 VAL CB . 10048 1 24 . 1 1 8 8 VAL CG1 C 13 22.344 0.300 . 2 . . . . 8 VAL CG1 . 10048 1 25 . 1 1 8 8 VAL CG2 C 13 21.795 0.300 . 2 . . . . 8 VAL CG2 . 10048 1 26 . 1 1 8 8 VAL N N 15 118.958 0.300 . 1 . . . . 8 VAL N . 10048 1 27 . 1 1 9 9 ASP H H 1 8.190 0.030 . 1 . . . . 9 ASP H . 10048 1 28 . 1 1 9 9 ASP HA H 1 4.560 0.030 . 1 . . . . 9 ASP HA . 10048 1 29 . 1 1 9 9 ASP HB2 H 1 2.735 0.030 . 2 . . . . 9 ASP HB2 . 10048 1 30 . 1 1 9 9 ASP HB3 H 1 2.599 0.030 . 2 . . . . 9 ASP HB3 . 10048 1 31 . 1 1 9 9 ASP C C 13 176.419 0.300 . 1 . . . . 9 ASP C . 10048 1 32 . 1 1 9 9 ASP CA C 13 53.834 0.300 . 1 . . . . 9 ASP CA . 10048 1 33 . 1 1 9 9 ASP CB C 13 41.244 0.300 . 1 . . . . 9 ASP CB . 10048 1 34 . 1 1 9 9 ASP N N 15 125.037 0.300 . 1 . . . . 9 ASP N . 10048 1 35 . 1 1 10 10 GLU H H 1 8.832 0.030 . 1 . . . . 10 GLU H . 10048 1 36 . 1 1 10 10 GLU HA H 1 3.936 0.030 . 1 . . . . 10 GLU HA . 10048 1 37 . 1 1 10 10 GLU HB2 H 1 2.137 0.030 . 2 . . . . 10 GLU HB2 . 10048 1 38 . 1 1 10 10 GLU HB3 H 1 2.017 0.030 . 2 . . . . 10 GLU HB3 . 10048 1 39 . 1 1 10 10 GLU HG2 H 1 2.297 0.030 . 2 . . . . 10 GLU HG2 . 10048 1 40 . 1 1 10 10 GLU HG3 H 1 2.447 0.030 . 2 . . . . 10 GLU HG3 . 10048 1 41 . 1 1 10 10 GLU C C 13 179.046 0.300 . 1 . . . . 10 GLU C . 10048 1 42 . 1 1 10 10 GLU CA C 13 59.325 0.300 . 1 . . . . 10 GLU CA . 10048 1 43 . 1 1 10 10 GLU CB C 13 29.610 0.300 . 1 . . . . 10 GLU CB . 10048 1 44 . 1 1 10 10 GLU CG C 13 36.393 0.300 . 1 . . . . 10 GLU CG . 10048 1 45 . 1 1 10 10 GLU N N 15 127.601 0.300 . 1 . . . . 10 GLU N . 10048 1 46 . 1 1 11 11 LYS H H 1 8.240 0.030 . 1 . . . . 11 LYS H . 10048 1 47 . 1 1 11 11 LYS HA H 1 4.098 0.030 . 1 . . . . 11 LYS HA . 10048 1 48 . 1 1 11 11 LYS HB2 H 1 2.012 0.030 . 2 . . . . 11 LYS HB2 . 10048 1 49 . 1 1 11 11 LYS HB3 H 1 1.927 0.030 . 2 . . . . 11 LYS HB3 . 10048 1 50 . 1 1 11 11 LYS HG2 H 1 1.570 0.030 . 2 . . . . 11 LYS HG2 . 10048 1 51 . 1 1 11 11 LYS HG3 H 1 1.420 0.030 . 2 . . . . 11 LYS HG3 . 10048 1 52 . 1 1 11 11 LYS HD2 H 1 1.741 0.030 . 1 . . . . 11 LYS HD2 . 10048 1 53 . 1 1 11 11 LYS HD3 H 1 1.741 0.030 . 1 . . . . 11 LYS HD3 . 10048 1 54 . 1 1 11 11 LYS HE2 H 1 3.036 0.030 . 1 . . . . 11 LYS HE2 . 10048 1 55 . 1 1 11 11 LYS HE3 H 1 3.036 0.030 . 1 . . . . 11 LYS HE3 . 10048 1 56 . 1 1 11 11 LYS C C 13 179.327 0.300 . 1 . . . . 11 LYS C . 10048 1 57 . 1 1 11 11 LYS CA C 13 59.435 0.300 . 1 . . . . 11 LYS CA . 10048 1 58 . 1 1 11 11 LYS CB C 13 31.712 0.300 . 1 . . . . 11 LYS CB . 10048 1 59 . 1 1 11 11 LYS CG C 13 25.341 0.300 . 1 . . . . 11 LYS CG . 10048 1 60 . 1 1 11 11 LYS CD C 13 29.177 0.300 . 1 . . . . 11 LYS CD . 10048 1 61 . 1 1 11 11 LYS CE C 13 42.020 0.300 . 1 . . . . 11 LYS CE . 10048 1 62 . 1 1 11 11 LYS N N 15 121.507 0.300 . 1 . . . . 11 LYS N . 10048 1 63 . 1 1 12 12 ALA H H 1 7.943 0.030 . 1 . . . . 12 ALA H . 10048 1 64 . 1 1 12 12 ALA HA H 1 4.131 0.030 . 1 . . . . 12 ALA HA . 10048 1 65 . 1 1 12 12 ALA HB1 H 1 1.456 0.030 . 1 . . . . 12 ALA HB . 10048 1 66 . 1 1 12 12 ALA HB2 H 1 1.456 0.030 . 1 . . . . 12 ALA HB . 10048 1 67 . 1 1 12 12 ALA HB3 H 1 1.456 0.030 . 1 . . . . 12 ALA HB . 10048 1 68 . 1 1 12 12 ALA C C 13 178.894 0.300 . 1 . . . . 12 ALA C . 10048 1 69 . 1 1 12 12 ALA CA C 13 54.578 0.300 . 1 . . . . 12 ALA CA . 10048 1 70 . 1 1 12 12 ALA CB C 13 18.610 0.300 . 1 . . . . 12 ALA CB . 10048 1 71 . 1 1 12 12 ALA N N 15 124.456 0.300 . 1 . . . . 12 ALA N . 10048 1 72 . 1 1 13 13 LEU H H 1 8.246 0.030 . 1 . . . . 13 LEU H . 10048 1 73 . 1 1 13 13 LEU HA H 1 3.809 0.030 . 1 . . . . 13 LEU HA . 10048 1 74 . 1 1 13 13 LEU HB2 H 1 1.903 0.030 . 2 . . . . 13 LEU HB2 . 10048 1 75 . 1 1 13 13 LEU HB3 H 1 1.346 0.030 . 2 . . . . 13 LEU HB3 . 10048 1 76 . 1 1 13 13 LEU HG H 1 1.608 0.030 . 1 . . . . 13 LEU HG . 10048 1 77 . 1 1 13 13 LEU HD11 H 1 0.873 0.030 . 1 . . . . 13 LEU HD1 . 10048 1 78 . 1 1 13 13 LEU HD12 H 1 0.873 0.030 . 1 . . . . 13 LEU HD1 . 10048 1 79 . 1 1 13 13 LEU HD13 H 1 0.873 0.030 . 1 . . . . 13 LEU HD1 . 10048 1 80 . 1 1 13 13 LEU HD21 H 1 0.898 0.030 . 1 . . . . 13 LEU HD2 . 10048 1 81 . 1 1 13 13 LEU HD22 H 1 0.898 0.030 . 1 . . . . 13 LEU HD2 . 10048 1 82 . 1 1 13 13 LEU HD23 H 1 0.898 0.030 . 1 . . . . 13 LEU HD2 . 10048 1 83 . 1 1 13 13 LEU C C 13 178.704 0.300 . 1 . . . . 13 LEU C . 10048 1 84 . 1 1 13 13 LEU CA C 13 58.265 0.300 . 1 . . . . 13 LEU CA . 10048 1 85 . 1 1 13 13 LEU CB C 13 42.019 0.300 . 1 . . . . 13 LEU CB . 10048 1 86 . 1 1 13 13 LEU CG C 13 26.804 0.300 . 1 . . . . 13 LEU CG . 10048 1 87 . 1 1 13 13 LEU CD1 C 13 25.013 0.300 . 2 . . . . 13 LEU CD1 . 10048 1 88 . 1 1 13 13 LEU CD2 C 13 25.983 0.300 . 2 . . . . 13 LEU CD2 . 10048 1 89 . 1 1 13 13 LEU N N 15 118.143 0.300 . 1 . . . . 13 LEU N . 10048 1 90 . 1 1 14 14 LYS H H 1 7.827 0.030 . 1 . . . . 14 LYS H . 10048 1 91 . 1 1 14 14 LYS HA H 1 4.074 0.030 . 1 . . . . 14 LYS HA . 10048 1 92 . 1 1 14 14 LYS HB2 H 1 1.936 0.030 . 1 . . . . 14 LYS HB2 . 10048 1 93 . 1 1 14 14 LYS HB3 H 1 1.936 0.030 . 1 . . . . 14 LYS HB3 . 10048 1 94 . 1 1 14 14 LYS HG2 H 1 1.485 0.030 . 2 . . . . 14 LYS HG2 . 10048 1 95 . 1 1 14 14 LYS HG3 H 1 1.401 0.030 . 2 . . . . 14 LYS HG3 . 10048 1 96 . 1 1 14 14 LYS HD2 H 1 1.733 0.030 . 2 . . . . 14 LYS HD2 . 10048 1 97 . 1 1 14 14 LYS HD3 H 1 1.670 0.030 . 2 . . . . 14 LYS HD3 . 10048 1 98 . 1 1 14 14 LYS HE2 H 1 2.998 0.030 . 1 . . . . 14 LYS HE2 . 10048 1 99 . 1 1 14 14 LYS HE3 H 1 2.998 0.030 . 1 . . . . 14 LYS HE3 . 10048 1 100 . 1 1 14 14 LYS C C 13 177.539 0.300 . 1 . . . . 14 LYS C . 10048 1 101 . 1 1 14 14 LYS CA C 13 59.031 0.300 . 1 . . . . 14 LYS CA . 10048 1 102 . 1 1 14 14 LYS CB C 13 32.444 0.300 . 1 . . . . 14 LYS CB . 10048 1 103 . 1 1 14 14 LYS CG C 13 24.794 0.300 . 1 . . . . 14 LYS CG . 10048 1 104 . 1 1 14 14 LYS CD C 13 29.324 0.300 . 1 . . . . 14 LYS CD . 10048 1 105 . 1 1 14 14 LYS CE C 13 42.242 0.300 . 1 . . . . 14 LYS CE . 10048 1 106 . 1 1 14 14 LYS N N 15 119.978 0.300 . 1 . . . . 14 LYS N . 10048 1 107 . 1 1 15 15 HIS H H 1 7.744 0.030 . 1 . . . . 15 HIS H . 10048 1 108 . 1 1 15 15 HIS HA H 1 4.268 0.030 . 1 . . . . 15 HIS HA . 10048 1 109 . 1 1 15 15 HIS HB2 H 1 3.400 0.030 . 2 . . . . 15 HIS HB2 . 10048 1 110 . 1 1 15 15 HIS HB3 H 1 3.218 0.030 . 2 . . . . 15 HIS HB3 . 10048 1 111 . 1 1 15 15 HIS HD2 H 1 6.802 0.030 . 1 . . . . 15 HIS HD2 . 10048 1 112 . 1 1 15 15 HIS HE1 H 1 7.978 0.030 . 1 . . . . 15 HIS HE1 . 10048 1 113 . 1 1 15 15 HIS C C 13 177.519 0.300 . 1 . . . . 15 HIS C . 10048 1 114 . 1 1 15 15 HIS CA C 13 59.235 0.300 . 1 . . . . 15 HIS CA . 10048 1 115 . 1 1 15 15 HIS CB C 13 30.314 0.300 . 1 . . . . 15 HIS CB . 10048 1 116 . 1 1 15 15 HIS CD2 C 13 119.638 0.300 . 1 . . . . 15 HIS CD2 . 10048 1 117 . 1 1 15 15 HIS CE1 C 13 138.267 0.300 . 1 . . . . 15 HIS CE1 . 10048 1 118 . 1 1 15 15 HIS N N 15 117.630 0.300 . 1 . . . . 15 HIS N . 10048 1 119 . 1 1 16 16 ILE H H 1 8.156 0.030 . 1 . . . . 16 ILE H . 10048 1 120 . 1 1 16 16 ILE HA H 1 3.870 0.030 . 1 . . . . 16 ILE HA . 10048 1 121 . 1 1 16 16 ILE HB H 1 1.839 0.030 . 1 . . . . 16 ILE HB . 10048 1 122 . 1 1 16 16 ILE HG12 H 1 2.041 0.030 . 2 . . . . 16 ILE HG12 . 10048 1 123 . 1 1 16 16 ILE HG13 H 1 0.861 0.030 . 2 . . . . 16 ILE HG13 . 10048 1 124 . 1 1 16 16 ILE HG21 H 1 0.931 0.030 . 1 . . . . 16 ILE HG2 . 10048 1 125 . 1 1 16 16 ILE HG22 H 1 0.931 0.030 . 1 . . . . 16 ILE HG2 . 10048 1 126 . 1 1 16 16 ILE HG23 H 1 0.931 0.030 . 1 . . . . 16 ILE HG2 . 10048 1 127 . 1 1 16 16 ILE HD11 H 1 0.749 0.030 . 1 . . . . 16 ILE HD1 . 10048 1 128 . 1 1 16 16 ILE HD12 H 1 0.749 0.030 . 1 . . . . 16 ILE HD1 . 10048 1 129 . 1 1 16 16 ILE HD13 H 1 0.749 0.030 . 1 . . . . 16 ILE HD1 . 10048 1 130 . 1 1 16 16 ILE C C 13 179.434 0.300 . 1 . . . . 16 ILE C . 10048 1 131 . 1 1 16 16 ILE CA C 13 65.930 0.300 . 1 . . . . 16 ILE CA . 10048 1 132 . 1 1 16 16 ILE CB C 13 38.841 0.300 . 1 . . . . 16 ILE CB . 10048 1 133 . 1 1 16 16 ILE CG1 C 13 29.077 0.300 . 1 . . . . 16 ILE CG1 . 10048 1 134 . 1 1 16 16 ILE CG2 C 13 19.443 0.300 . 1 . . . . 16 ILE CG2 . 10048 1 135 . 1 1 16 16 ILE CD1 C 13 13.856 0.300 . 1 . . . . 16 ILE CD1 . 10048 1 136 . 1 1 16 16 ILE N N 15 116.860 0.300 . 1 . . . . 16 ILE N . 10048 1 137 . 1 1 17 17 THR H H 1 8.630 0.030 . 1 . . . . 17 THR H . 10048 1 138 . 1 1 17 17 THR HA H 1 4.597 0.030 . 1 . . . . 17 THR HA . 10048 1 139 . 1 1 17 17 THR HB H 1 4.337 0.030 . 1 . . . . 17 THR HB . 10048 1 140 . 1 1 17 17 THR HG21 H 1 1.302 0.030 . 1 . . . . 17 THR HG2 . 10048 1 141 . 1 1 17 17 THR HG22 H 1 1.302 0.030 . 1 . . . . 17 THR HG2 . 10048 1 142 . 1 1 17 17 THR HG23 H 1 1.302 0.030 . 1 . . . . 17 THR HG2 . 10048 1 143 . 1 1 17 17 THR C C 13 179.910 0.300 . 1 . . . . 17 THR C . 10048 1 144 . 1 1 17 17 THR CA C 13 65.251 0.300 . 1 . . . . 17 THR CA . 10048 1 145 . 1 1 17 17 THR CB C 13 69.108 0.300 . 1 . . . . 17 THR CB . 10048 1 146 . 1 1 17 17 THR CG2 C 13 21.904 0.300 . 1 . . . . 17 THR CG2 . 10048 1 147 . 1 1 17 17 THR N N 15 113.477 0.300 . 1 . . . . 17 THR N . 10048 1 148 . 1 1 18 18 GLU H H 1 8.220 0.030 . 1 . . . . 18 GLU H . 10048 1 149 . 1 1 18 18 GLU HA H 1 4.135 0.030 . 1 . . . . 18 GLU HA . 10048 1 150 . 1 1 18 18 GLU HB2 H 1 2.194 0.030 . 2 . . . . 18 GLU HB2 . 10048 1 151 . 1 1 18 18 GLU HB3 H 1 2.069 0.030 . 2 . . . . 18 GLU HB3 . 10048 1 152 . 1 1 18 18 GLU HG2 H 1 2.339 0.030 . 2 . . . . 18 GLU HG2 . 10048 1 153 . 1 1 18 18 GLU HG3 H 1 2.555 0.030 . 2 . . . . 18 GLU HG3 . 10048 1 154 . 1 1 18 18 GLU C C 13 178.005 0.300 . 1 . . . . 18 GLU C . 10048 1 155 . 1 1 18 18 GLU CA C 13 58.718 0.300 . 1 . . . . 18 GLU CA . 10048 1 156 . 1 1 18 18 GLU CB C 13 29.053 0.300 . 1 . . . . 18 GLU CB . 10048 1 157 . 1 1 18 18 GLU CG C 13 37.324 0.300 . 1 . . . . 18 GLU CG . 10048 1 158 . 1 1 18 18 GLU N N 15 123.193 0.300 . 1 . . . . 18 GLU N . 10048 1 159 . 1 1 19 19 MET H H 1 7.636 0.030 . 1 . . . . 19 MET H . 10048 1 160 . 1 1 19 19 MET HA H 1 4.353 0.030 . 1 . . . . 19 MET HA . 10048 1 161 . 1 1 19 19 MET HB2 H 1 2.370 0.030 . 2 . . . . 19 MET HB2 . 10048 1 162 . 1 1 19 19 MET HB3 H 1 2.511 0.030 . 2 . . . . 19 MET HB3 . 10048 1 163 . 1 1 19 19 MET HG2 H 1 2.848 0.030 . 2 . . . . 19 MET HG2 . 10048 1 164 . 1 1 19 19 MET HG3 H 1 2.569 0.030 . 2 . . . . 19 MET HG3 . 10048 1 165 . 1 1 19 19 MET HE1 H 1 2.148 0.030 . 1 . . . . 19 MET HE . 10048 1 166 . 1 1 19 19 MET HE2 H 1 2.148 0.030 . 1 . . . . 19 MET HE . 10048 1 167 . 1 1 19 19 MET HE3 H 1 2.148 0.030 . 1 . . . . 19 MET HE . 10048 1 168 . 1 1 19 19 MET C C 13 176.300 0.300 . 1 . . . . 19 MET C . 10048 1 169 . 1 1 19 19 MET CA C 13 56.501 0.300 . 1 . . . . 19 MET CA . 10048 1 170 . 1 1 19 19 MET CB C 13 33.048 0.300 . 1 . . . . 19 MET CB . 10048 1 171 . 1 1 19 19 MET CG C 13 32.530 0.300 . 1 . . . . 19 MET CG . 10048 1 172 . 1 1 19 19 MET CE C 13 17.259 0.300 . 1 . . . . 19 MET CE . 10048 1 173 . 1 1 19 19 MET N N 15 117.209 0.300 . 1 . . . . 19 MET N . 10048 1 174 . 1 1 20 20 GLY H H 1 7.883 0.030 . 1 . . . . 20 GLY H . 10048 1 175 . 1 1 20 20 GLY HA2 H 1 4.116 0.030 . 2 . . . . 20 GLY HA2 . 10048 1 176 . 1 1 20 20 GLY HA3 H 1 3.575 0.030 . 2 . . . . 20 GLY HA3 . 10048 1 177 . 1 1 20 20 GLY C C 13 173.870 0.300 . 1 . . . . 20 GLY C . 10048 1 178 . 1 1 20 20 GLY CA C 13 44.907 0.300 . 1 . . . . 20 GLY CA . 10048 1 179 . 1 1 20 20 GLY N N 15 105.116 0.300 . 1 . . . . 20 GLY N . 10048 1 180 . 1 1 21 21 PHE H H 1 6.760 0.030 . 1 . . . . 21 PHE H . 10048 1 181 . 1 1 21 21 PHE HA H 1 4.598 0.030 . 1 . . . . 21 PHE HA . 10048 1 182 . 1 1 21 21 PHE HB2 H 1 2.998 0.030 . 2 . . . . 21 PHE HB2 . 10048 1 183 . 1 1 21 21 PHE HB3 H 1 2.678 0.030 . 2 . . . . 21 PHE HB3 . 10048 1 184 . 1 1 21 21 PHE HD1 H 1 7.364 0.030 . 1 . . . . 21 PHE HD1 . 10048 1 185 . 1 1 21 21 PHE HD2 H 1 7.364 0.030 . 1 . . . . 21 PHE HD2 . 10048 1 186 . 1 1 21 21 PHE HE1 H 1 7.196 0.030 . 1 . . . . 21 PHE HE1 . 10048 1 187 . 1 1 21 21 PHE HE2 H 1 7.196 0.030 . 1 . . . . 21 PHE HE2 . 10048 1 188 . 1 1 21 21 PHE HZ H 1 7.125 0.030 . 1 . . . . 21 PHE HZ . 10048 1 189 . 1 1 21 21 PHE C C 13 175.521 0.300 . 1 . . . . 21 PHE C . 10048 1 190 . 1 1 21 21 PHE CA C 13 57.845 0.300 . 1 . . . . 21 PHE CA . 10048 1 191 . 1 1 21 21 PHE CB C 13 40.686 0.300 . 1 . . . . 21 PHE CB . 10048 1 192 . 1 1 21 21 PHE CD1 C 13 132.259 0.300 . 1 . . . . 21 PHE CD1 . 10048 1 193 . 1 1 21 21 PHE CD2 C 13 132.259 0.300 . 1 . . . . 21 PHE CD2 . 10048 1 194 . 1 1 21 21 PHE CE1 C 13 131.361 0.300 . 1 . . . . 21 PHE CE1 . 10048 1 195 . 1 1 21 21 PHE CE2 C 13 131.361 0.300 . 1 . . . . 21 PHE CE2 . 10048 1 196 . 1 1 21 21 PHE CZ C 13 129.425 0.300 . 1 . . . . 21 PHE CZ . 10048 1 197 . 1 1 21 21 PHE N N 15 118.757 0.300 . 1 . . . . 21 PHE N . 10048 1 198 . 1 1 22 22 SER H H 1 9.025 0.030 . 1 . . . . 22 SER H . 10048 1 199 . 1 1 22 22 SER HA H 1 4.419 0.030 . 1 . . . . 22 SER HA . 10048 1 200 . 1 1 22 22 SER HB2 H 1 4.129 0.030 . 2 . . . . 22 SER HB2 . 10048 1 201 . 1 1 22 22 SER HB3 H 1 4.376 0.030 . 2 . . . . 22 SER HB3 . 10048 1 202 . 1 1 22 22 SER C C 13 176.620 0.300 . 1 . . . . 22 SER C . 10048 1 203 . 1 1 22 22 SER CA C 13 57.917 0.300 . 1 . . . . 22 SER CA . 10048 1 204 . 1 1 22 22 SER CB C 13 64.502 0.300 . 1 . . . . 22 SER CB . 10048 1 205 . 1 1 22 22 SER N N 15 117.237 0.300 . 1 . . . . 22 SER N . 10048 1 206 . 1 1 23 23 LYS H H 1 9.356 0.030 . 1 . . . . 23 LYS H . 10048 1 207 . 1 1 23 23 LYS HA H 1 3.854 0.030 . 1 . . . . 23 LYS HA . 10048 1 208 . 1 1 23 23 LYS HB2 H 1 1.957 0.030 . 2 . . . . 23 LYS HB2 . 10048 1 209 . 1 1 23 23 LYS HB3 H 1 1.883 0.030 . 2 . . . . 23 LYS HB3 . 10048 1 210 . 1 1 23 23 LYS HG2 H 1 1.477 0.030 . 1 . . . . 23 LYS HG2 . 10048 1 211 . 1 1 23 23 LYS HG3 H 1 1.477 0.030 . 1 . . . . 23 LYS HG3 . 10048 1 212 . 1 1 23 23 LYS HD2 H 1 1.759 0.030 . 1 . . . . 23 LYS HD2 . 10048 1 213 . 1 1 23 23 LYS HD3 H 1 1.759 0.030 . 1 . . . . 23 LYS HD3 . 10048 1 214 . 1 1 23 23 LYS HE2 H 1 3.011 0.030 . 1 . . . . 23 LYS HE2 . 10048 1 215 . 1 1 23 23 LYS HE3 H 1 3.011 0.030 . 1 . . . . 23 LYS HE3 . 10048 1 216 . 1 1 23 23 LYS C C 13 178.238 0.300 . 1 . . . . 23 LYS C . 10048 1 217 . 1 1 23 23 LYS CA C 13 60.763 0.300 . 1 . . . . 23 LYS CA . 10048 1 218 . 1 1 23 23 LYS CB C 13 32.182 0.300 . 1 . . . . 23 LYS CB . 10048 1 219 . 1 1 23 23 LYS CG C 13 25.392 0.300 . 1 . . . . 23 LYS CG . 10048 1 220 . 1 1 23 23 LYS CD C 13 29.573 0.300 . 1 . . . . 23 LYS CD . 10048 1 221 . 1 1 23 23 LYS CE C 13 42.020 0.300 . 1 . . . . 23 LYS CE . 10048 1 222 . 1 1 23 23 LYS N N 15 126.756 0.300 . 1 . . . . 23 LYS N . 10048 1 223 . 1 1 24 24 GLU H H 1 8.895 0.030 . 1 . . . . 24 GLU H . 10048 1 224 . 1 1 24 24 GLU HA H 1 4.071 0.030 . 1 . . . . 24 GLU HA . 10048 1 225 . 1 1 24 24 GLU HB2 H 1 2.080 0.030 . 2 . . . . 24 GLU HB2 . 10048 1 226 . 1 1 24 24 GLU HB3 H 1 1.983 0.030 . 2 . . . . 24 GLU HB3 . 10048 1 227 . 1 1 24 24 GLU HG2 H 1 2.303 0.030 . 2 . . . . 24 GLU HG2 . 10048 1 228 . 1 1 24 24 GLU HG3 H 1 2.447 0.030 . 2 . . . . 24 GLU HG3 . 10048 1 229 . 1 1 24 24 GLU C C 13 179.110 0.300 . 1 . . . . 24 GLU C . 10048 1 230 . 1 1 24 24 GLU CA C 13 60.012 0.300 . 1 . . . . 24 GLU CA . 10048 1 231 . 1 1 24 24 GLU CB C 13 28.853 0.300 . 1 . . . . 24 GLU CB . 10048 1 232 . 1 1 24 24 GLU CG C 13 36.554 0.300 . 1 . . . . 24 GLU CG . 10048 1 233 . 1 1 24 24 GLU N N 15 118.325 0.300 . 1 . . . . 24 GLU N . 10048 1 234 . 1 1 25 25 ALA H H 1 7.979 0.030 . 1 . . . . 25 ALA H . 10048 1 235 . 1 1 25 25 ALA HA H 1 4.130 0.030 . 1 . . . . 25 ALA HA . 10048 1 236 . 1 1 25 25 ALA HB1 H 1 1.450 0.030 . 1 . . . . 25 ALA HB . 10048 1 237 . 1 1 25 25 ALA HB2 H 1 1.450 0.030 . 1 . . . . 25 ALA HB . 10048 1 238 . 1 1 25 25 ALA HB3 H 1 1.450 0.030 . 1 . . . . 25 ALA HB . 10048 1 239 . 1 1 25 25 ALA C C 13 181.140 0.300 . 1 . . . . 25 ALA C . 10048 1 240 . 1 1 25 25 ALA CA C 13 54.837 0.300 . 1 . . . . 25 ALA CA . 10048 1 241 . 1 1 25 25 ALA CB C 13 18.364 0.300 . 1 . . . . 25 ALA CB . 10048 1 242 . 1 1 25 25 ALA N N 15 122.597 0.300 . 1 . . . . 25 ALA N . 10048 1 243 . 1 1 26 26 SER H H 1 8.265 0.030 . 1 . . . . 26 SER H . 10048 1 244 . 1 1 26 26 SER HA H 1 3.976 0.030 . 1 . . . . 26 SER HA . 10048 1 245 . 1 1 26 26 SER HB2 H 1 3.912 0.030 . 2 . . . . 26 SER HB2 . 10048 1 246 . 1 1 26 26 SER HB3 H 1 3.494 0.030 . 2 . . . . 26 SER HB3 . 10048 1 247 . 1 1 26 26 SER C C 13 174.972 0.300 . 1 . . . . 26 SER C . 10048 1 248 . 1 1 26 26 SER CA C 13 62.955 0.300 . 1 . . . . 26 SER CA . 10048 1 249 . 1 1 26 26 SER CB C 13 63.137 0.300 . 1 . . . . 26 SER CB . 10048 1 250 . 1 1 26 26 SER N N 15 115.953 0.300 . 1 . . . . 26 SER N . 10048 1 251 . 1 1 27 27 ARG H H 1 8.408 0.030 . 1 . . . . 27 ARG H . 10048 1 252 . 1 1 27 27 ARG HA H 1 3.768 0.030 . 1 . . . . 27 ARG HA . 10048 1 253 . 1 1 27 27 ARG HB2 H 1 1.892 0.030 . 1 . . . . 27 ARG HB2 . 10048 1 254 . 1 1 27 27 ARG HB3 H 1 1.892 0.030 . 1 . . . . 27 ARG HB3 . 10048 1 255 . 1 1 27 27 ARG HG2 H 1 1.637 0.030 . 2 . . . . 27 ARG HG2 . 10048 1 256 . 1 1 27 27 ARG HG3 H 1 1.552 0.030 . 2 . . . . 27 ARG HG3 . 10048 1 257 . 1 1 27 27 ARG HD2 H 1 3.225 0.030 . 1 . . . . 27 ARG HD2 . 10048 1 258 . 1 1 27 27 ARG HD3 H 1 3.225 0.030 . 1 . . . . 27 ARG HD3 . 10048 1 259 . 1 1 27 27 ARG HE H 1 7.545 0.030 . 1 . . . . 27 ARG HE . 10048 1 260 . 1 1 27 27 ARG C C 13 177.737 0.300 . 1 . . . . 27 ARG C . 10048 1 261 . 1 1 27 27 ARG CA C 13 60.012 0.300 . 1 . . . . 27 ARG CA . 10048 1 262 . 1 1 27 27 ARG CB C 13 30.291 0.300 . 1 . . . . 27 ARG CB . 10048 1 263 . 1 1 27 27 ARG CG C 13 27.970 0.300 . 1 . . . . 27 ARG CG . 10048 1 264 . 1 1 27 27 ARG CD C 13 43.348 0.300 . 1 . . . . 27 ARG CD . 10048 1 265 . 1 1 27 27 ARG N N 15 121.644 0.300 . 1 . . . . 27 ARG N . 10048 1 266 . 1 1 27 27 ARG NE N 15 83.705 0.300 . 1 . . . . 27 ARG NE . 10048 1 267 . 1 1 28 28 GLN H H 1 7.751 0.030 . 1 . . . . 28 GLN H . 10048 1 268 . 1 1 28 28 GLN HA H 1 3.848 0.030 . 1 . . . . 28 GLN HA . 10048 1 269 . 1 1 28 28 GLN HB2 H 1 2.157 0.030 . 2 . . . . 28 GLN HB2 . 10048 1 270 . 1 1 28 28 GLN HB3 H 1 2.064 0.030 . 2 . . . . 28 GLN HB3 . 10048 1 271 . 1 1 28 28 GLN HG2 H 1 2.414 0.030 . 2 . . . . 28 GLN HG2 . 10048 1 272 . 1 1 28 28 GLN HG3 H 1 2.358 0.030 . 2 . . . . 28 GLN HG3 . 10048 1 273 . 1 1 28 28 GLN HE21 H 1 6.784 0.030 . 2 . . . . 28 GLN HE21 . 10048 1 274 . 1 1 28 28 GLN HE22 H 1 7.998 0.030 . 2 . . . . 28 GLN HE22 . 10048 1 275 . 1 1 28 28 GLN C C 13 177.158 0.300 . 1 . . . . 28 GLN C . 10048 1 276 . 1 1 28 28 GLN CA C 13 58.588 0.300 . 1 . . . . 28 GLN CA . 10048 1 277 . 1 1 28 28 GLN CB C 13 28.550 0.300 . 1 . . . . 28 GLN CB . 10048 1 278 . 1 1 28 28 GLN CG C 13 33.390 0.300 . 1 . . . . 28 GLN CG . 10048 1 279 . 1 1 28 28 GLN N N 15 118.002 0.300 . 1 . . . . 28 GLN N . 10048 1 280 . 1 1 28 28 GLN NE2 N 15 115.559 0.300 . 1 . . . . 28 GLN NE2 . 10048 1 281 . 1 1 29 29 ALA H H 1 7.910 0.030 . 1 . . . . 29 ALA H . 10048 1 282 . 1 1 29 29 ALA HA H 1 4.188 0.030 . 1 . . . . 29 ALA HA . 10048 1 283 . 1 1 29 29 ALA HB1 H 1 1.391 0.030 . 1 . . . . 29 ALA HB . 10048 1 284 . 1 1 29 29 ALA HB2 H 1 1.391 0.030 . 1 . . . . 29 ALA HB . 10048 1 285 . 1 1 29 29 ALA HB3 H 1 1.391 0.030 . 1 . . . . 29 ALA HB . 10048 1 286 . 1 1 29 29 ALA C C 13 181.022 0.300 . 1 . . . . 29 ALA C . 10048 1 287 . 1 1 29 29 ALA CA C 13 55.031 0.300 . 1 . . . . 29 ALA CA . 10048 1 288 . 1 1 29 29 ALA CB C 13 17.881 0.300 . 1 . . . . 29 ALA CB . 10048 1 289 . 1 1 29 29 ALA N N 15 119.542 0.300 . 1 . . . . 29 ALA N . 10048 1 290 . 1 1 30 30 LEU H H 1 7.979 0.030 . 1 . . . . 30 LEU H . 10048 1 291 . 1 1 30 30 LEU HA H 1 3.841 0.030 . 1 . . . . 30 LEU HA . 10048 1 292 . 1 1 30 30 LEU HB2 H 1 1.909 0.030 . 2 . . . . 30 LEU HB2 . 10048 1 293 . 1 1 30 30 LEU HB3 H 1 1.674 0.030 . 2 . . . . 30 LEU HB3 . 10048 1 294 . 1 1 30 30 LEU HG H 1 1.502 0.030 . 1 . . . . 30 LEU HG . 10048 1 295 . 1 1 30 30 LEU HD11 H 1 0.752 0.030 . 1 . . . . 30 LEU HD1 . 10048 1 296 . 1 1 30 30 LEU HD12 H 1 0.752 0.030 . 1 . . . . 30 LEU HD1 . 10048 1 297 . 1 1 30 30 LEU HD13 H 1 0.752 0.030 . 1 . . . . 30 LEU HD1 . 10048 1 298 . 1 1 30 30 LEU HD21 H 1 0.647 0.030 . 1 . . . . 30 LEU HD2 . 10048 1 299 . 1 1 30 30 LEU HD22 H 1 0.647 0.030 . 1 . . . . 30 LEU HD2 . 10048 1 300 . 1 1 30 30 LEU HD23 H 1 0.647 0.030 . 1 . . . . 30 LEU HD2 . 10048 1 301 . 1 1 30 30 LEU C C 13 179.480 0.300 . 1 . . . . 30 LEU C . 10048 1 302 . 1 1 30 30 LEU CA C 13 58.588 0.300 . 1 . . . . 30 LEU CA . 10048 1 303 . 1 1 30 30 LEU CB C 13 41.603 0.300 . 1 . . . . 30 LEU CB . 10048 1 304 . 1 1 30 30 LEU CG C 13 27.714 0.300 . 1 . . . . 30 LEU CG . 10048 1 305 . 1 1 30 30 LEU CD1 C 13 25.740 0.300 . 2 . . . . 30 LEU CD1 . 10048 1 306 . 1 1 30 30 LEU CD2 C 13 23.312 0.300 . 2 . . . . 30 LEU CD2 . 10048 1 307 . 1 1 30 30 LEU N N 15 118.602 0.300 . 1 . . . . 30 LEU N . 10048 1 308 . 1 1 31 31 MET H H 1 8.488 0.030 . 1 . . . . 31 MET H . 10048 1 309 . 1 1 31 31 MET HA H 1 4.109 0.030 . 1 . . . . 31 MET HA . 10048 1 310 . 1 1 31 31 MET HB2 H 1 2.121 0.030 . 1 . . . . 31 MET HB2 . 10048 1 311 . 1 1 31 31 MET HB3 H 1 2.121 0.030 . 1 . . . . 31 MET HB3 . 10048 1 312 . 1 1 31 31 MET HG2 H 1 2.641 0.030 . 2 . . . . 31 MET HG2 . 10048 1 313 . 1 1 31 31 MET HG3 H 1 2.509 0.030 . 2 . . . . 31 MET HG3 . 10048 1 314 . 1 1 31 31 MET HE1 H 1 2.040 0.030 . 1 . . . . 31 MET HE . 10048 1 315 . 1 1 31 31 MET HE2 H 1 2.040 0.030 . 1 . . . . 31 MET HE . 10048 1 316 . 1 1 31 31 MET HE3 H 1 2.040 0.030 . 1 . . . . 31 MET HE . 10048 1 317 . 1 1 31 31 MET C C 13 179.379 0.300 . 1 . . . . 31 MET C . 10048 1 318 . 1 1 31 31 MET CA C 13 58.792 0.300 . 1 . . . . 31 MET CA . 10048 1 319 . 1 1 31 31 MET CB C 13 32.204 0.300 . 1 . . . . 31 MET CB . 10048 1 320 . 1 1 31 31 MET CG C 13 32.043 0.300 . 1 . . . . 31 MET CG . 10048 1 321 . 1 1 31 31 MET CE C 13 16.474 0.300 . 1 . . . . 31 MET CE . 10048 1 322 . 1 1 31 31 MET N N 15 120.248 0.300 . 1 . . . . 31 MET N . 10048 1 323 . 1 1 32 32 ASP H H 1 8.476 0.030 . 1 . . . . 32 ASP H . 10048 1 324 . 1 1 32 32 ASP HA H 1 4.566 0.030 . 1 . . . . 32 ASP HA . 10048 1 325 . 1 1 32 32 ASP HB2 H 1 2.666 0.030 . 2 . . . . 32 ASP HB2 . 10048 1 326 . 1 1 32 32 ASP HB3 H 1 2.713 0.030 . 2 . . . . 32 ASP HB3 . 10048 1 327 . 1 1 32 32 ASP C C 13 176.738 0.300 . 1 . . . . 32 ASP C . 10048 1 328 . 1 1 32 32 ASP CA C 13 55.945 0.300 . 1 . . . . 32 ASP CA . 10048 1 329 . 1 1 32 32 ASP CB C 13 41.039 0.300 . 1 . . . . 32 ASP CB . 10048 1 330 . 1 1 32 32 ASP N N 15 118.066 0.300 . 1 . . . . 32 ASP N . 10048 1 331 . 1 1 33 33 ASN H H 1 7.356 0.030 . 1 . . . . 33 ASN H . 10048 1 332 . 1 1 33 33 ASN HA H 1 5.033 0.030 . 1 . . . . 33 ASN HA . 10048 1 333 . 1 1 33 33 ASN HB2 H 1 2.908 0.030 . 2 . . . . 33 ASN HB2 . 10048 1 334 . 1 1 33 33 ASN HB3 H 1 2.559 0.030 . 2 . . . . 33 ASN HB3 . 10048 1 335 . 1 1 33 33 ASN HD21 H 1 6.942 0.030 . 2 . . . . 33 ASN HD21 . 10048 1 336 . 1 1 33 33 ASN HD22 H 1 8.561 0.030 . 2 . . . . 33 ASN HD22 . 10048 1 337 . 1 1 33 33 ASN C C 13 176.034 0.300 . 1 . . . . 33 ASN C . 10048 1 338 . 1 1 33 33 ASN CA C 13 53.155 0.300 . 1 . . . . 33 ASN CA . 10048 1 339 . 1 1 33 33 ASN CB C 13 39.484 0.300 . 1 . . . . 33 ASN CB . 10048 1 340 . 1 1 33 33 ASN N N 15 115.755 0.300 . 1 . . . . 33 ASN N . 10048 1 341 . 1 1 33 33 ASN ND2 N 15 115.343 0.300 . 1 . . . . 33 ASN ND2 . 10048 1 342 . 1 1 34 34 GLY H H 1 8.011 0.030 . 1 . . . . 34 GLY H . 10048 1 343 . 1 1 34 34 GLY HA2 H 1 3.791 0.030 . 2 . . . . 34 GLY HA2 . 10048 1 344 . 1 1 34 34 GLY HA3 H 1 4.027 0.030 . 2 . . . . 34 GLY HA3 . 10048 1 345 . 1 1 34 34 GLY C C 13 174.951 0.300 . 1 . . . . 34 GLY C . 10048 1 346 . 1 1 34 34 GLY CA C 13 48.086 0.300 . 1 . . . . 34 GLY CA . 10048 1 347 . 1 1 34 34 GLY N N 15 109.492 0.300 . 1 . . . . 34 GLY N . 10048 1 348 . 1 1 35 35 ASN H H 1 9.010 0.030 . 1 . . . . 35 ASN H . 10048 1 349 . 1 1 35 35 ASN HA H 1 4.046 0.030 . 1 . . . . 35 ASN HA . 10048 1 350 . 1 1 35 35 ASN HB2 H 1 3.039 0.030 . 2 . . . . 35 ASN HB2 . 10048 1 351 . 1 1 35 35 ASN HB3 H 1 2.961 0.030 . 2 . . . . 35 ASN HB3 . 10048 1 352 . 1 1 35 35 ASN HD21 H 1 6.775 0.030 . 2 . . . . 35 ASN HD21 . 10048 1 353 . 1 1 35 35 ASN HD22 H 1 7.469 0.030 . 2 . . . . 35 ASN HD22 . 10048 1 354 . 1 1 35 35 ASN C C 13 172.836 0.300 . 1 . . . . 35 ASN C . 10048 1 355 . 1 1 35 35 ASN CA C 13 54.807 0.300 . 1 . . . . 35 ASN CA . 10048 1 356 . 1 1 35 35 ASN CB C 13 38.084 0.300 . 1 . . . . 35 ASN CB . 10048 1 357 . 1 1 35 35 ASN N N 15 111.570 0.300 . 1 . . . . 35 ASN N . 10048 1 358 . 1 1 35 35 ASN ND2 N 15 112.369 0.300 . 1 . . . . 35 ASN ND2 . 10048 1 359 . 1 1 36 36 ASN H H 1 7.405 0.030 . 1 . . . . 36 ASN H . 10048 1 360 . 1 1 36 36 ASN HA H 1 4.715 0.030 . 1 . . . . 36 ASN HA . 10048 1 361 . 1 1 36 36 ASN HB2 H 1 3.077 0.030 . 2 . . . . 36 ASN HB2 . 10048 1 362 . 1 1 36 36 ASN HB3 H 1 2.768 0.030 . 2 . . . . 36 ASN HB3 . 10048 1 363 . 1 1 36 36 ASN HD21 H 1 7.093 0.030 . 2 . . . . 36 ASN HD21 . 10048 1 364 . 1 1 36 36 ASN HD22 H 1 7.735 0.030 . 2 . . . . 36 ASN HD22 . 10048 1 365 . 1 1 36 36 ASN C C 13 174.346 0.300 . 1 . . . . 36 ASN C . 10048 1 366 . 1 1 36 36 ASN CA C 13 53.349 0.300 . 1 . . . . 36 ASN CA . 10048 1 367 . 1 1 36 36 ASN CB C 13 39.825 0.300 . 1 . . . . 36 ASN CB . 10048 1 368 . 1 1 36 36 ASN N N 15 117.420 0.300 . 1 . . . . 36 ASN N . 10048 1 369 . 1 1 36 36 ASN ND2 N 15 113.171 0.300 . 1 . . . . 36 ASN ND2 . 10048 1 370 . 1 1 37 37 LEU H H 1 8.546 0.030 . 1 . . . . 37 LEU H . 10048 1 371 . 1 1 37 37 LEU HA H 1 3.780 0.030 . 1 . . . . 37 LEU HA . 10048 1 372 . 1 1 37 37 LEU HB2 H 1 1.725 0.030 . 2 . . . . 37 LEU HB2 . 10048 1 373 . 1 1 37 37 LEU HB3 H 1 1.602 0.030 . 2 . . . . 37 LEU HB3 . 10048 1 374 . 1 1 37 37 LEU HG H 1 1.522 0.030 . 1 . . . . 37 LEU HG . 10048 1 375 . 1 1 37 37 LEU HD11 H 1 0.881 0.030 . 1 . . . . 37 LEU HD1 . 10048 1 376 . 1 1 37 37 LEU HD12 H 1 0.881 0.030 . 1 . . . . 37 LEU HD1 . 10048 1 377 . 1 1 37 37 LEU HD13 H 1 0.881 0.030 . 1 . . . . 37 LEU HD1 . 10048 1 378 . 1 1 37 37 LEU HD21 H 1 0.724 0.030 . 1 . . . . 37 LEU HD2 . 10048 1 379 . 1 1 37 37 LEU HD22 H 1 0.724 0.030 . 1 . . . . 37 LEU HD2 . 10048 1 380 . 1 1 37 37 LEU HD23 H 1 0.724 0.030 . 1 . . . . 37 LEU HD2 . 10048 1 381 . 1 1 37 37 LEU C C 13 177.144 0.300 . 1 . . . . 37 LEU C . 10048 1 382 . 1 1 37 37 LEU CA C 13 59.268 0.300 . 1 . . . . 37 LEU CA . 10048 1 383 . 1 1 37 37 LEU CB C 13 42.473 0.300 . 1 . . . . 37 LEU CB . 10048 1 384 . 1 1 37 37 LEU CG C 13 27.281 0.300 . 1 . . . . 37 LEU CG . 10048 1 385 . 1 1 37 37 LEU CD1 C 13 25.009 0.300 . 1 . . . . 37 LEU CD1 . 10048 1 386 . 1 1 37 37 LEU CD2 C 13 25.009 0.300 . 1 . . . . 37 LEU CD2 . 10048 1 387 . 1 1 37 37 LEU N N 15 129.168 0.300 . 1 . . . . 37 LEU N . 10048 1 388 . 1 1 38 38 GLU H H 1 8.286 0.030 . 1 . . . . 38 GLU H . 10048 1 389 . 1 1 38 38 GLU HA H 1 3.854 0.030 . 1 . . . . 38 GLU HA . 10048 1 390 . 1 1 38 38 GLU HB2 H 1 2.096 0.030 . 2 . . . . 38 GLU HB2 . 10048 1 391 . 1 1 38 38 GLU HB3 H 1 2.009 0.030 . 2 . . . . 38 GLU HB3 . 10048 1 392 . 1 1 38 38 GLU HG2 H 1 2.283 0.030 . 1 . . . . 38 GLU HG2 . 10048 1 393 . 1 1 38 38 GLU HG3 H 1 2.283 0.030 . 1 . . . . 38 GLU HG3 . 10048 1 394 . 1 1 38 38 GLU C C 13 179.033 0.300 . 1 . . . . 38 GLU C . 10048 1 395 . 1 1 38 38 GLU CA C 13 60.195 0.300 . 1 . . . . 38 GLU CA . 10048 1 396 . 1 1 38 38 GLU CB C 13 29.080 0.300 . 1 . . . . 38 GLU CB . 10048 1 397 . 1 1 38 38 GLU CG C 13 36.893 0.300 . 1 . . . . 38 GLU CG . 10048 1 398 . 1 1 38 38 GLU N N 15 117.943 0.300 . 1 . . . . 38 GLU N . 10048 1 399 . 1 1 39 39 ALA H H 1 8.208 0.030 . 1 . . . . 39 ALA H . 10048 1 400 . 1 1 39 39 ALA HA H 1 4.132 0.030 . 1 . . . . 39 ALA HA . 10048 1 401 . 1 1 39 39 ALA HB1 H 1 1.459 0.030 . 1 . . . . 39 ALA HB . 10048 1 402 . 1 1 39 39 ALA HB2 H 1 1.459 0.030 . 1 . . . . 39 ALA HB . 10048 1 403 . 1 1 39 39 ALA HB3 H 1 1.459 0.030 . 1 . . . . 39 ALA HB . 10048 1 404 . 1 1 39 39 ALA C C 13 180.275 0.300 . 1 . . . . 39 ALA C . 10048 1 405 . 1 1 39 39 ALA CA C 13 54.578 0.300 . 1 . . . . 39 ALA CA . 10048 1 406 . 1 1 39 39 ALA CB C 13 18.621 0.300 . 1 . . . . 39 ALA CB . 10048 1 407 . 1 1 39 39 ALA N N 15 121.879 0.300 . 1 . . . . 39 ALA N . 10048 1 408 . 1 1 40 40 ALA H H 1 8.284 0.030 . 1 . . . . 40 ALA H . 10048 1 409 . 1 1 40 40 ALA HA H 1 3.863 0.030 . 1 . . . . 40 ALA HA . 10048 1 410 . 1 1 40 40 ALA HB1 H 1 1.242 0.030 . 1 . . . . 40 ALA HB . 10048 1 411 . 1 1 40 40 ALA HB2 H 1 1.242 0.030 . 1 . . . . 40 ALA HB . 10048 1 412 . 1 1 40 40 ALA HB3 H 1 1.242 0.030 . 1 . . . . 40 ALA HB . 10048 1 413 . 1 1 40 40 ALA C C 13 178.880 0.300 . 1 . . . . 40 ALA C . 10048 1 414 . 1 1 40 40 ALA CA C 13 55.063 0.300 . 1 . . . . 40 ALA CA . 10048 1 415 . 1 1 40 40 ALA CB C 13 18.415 0.300 . 1 . . . . 40 ALA CB . 10048 1 416 . 1 1 40 40 ALA N N 15 120.281 0.300 . 1 . . . . 40 ALA N . 10048 1 417 . 1 1 41 41 LEU H H 1 8.542 0.030 . 1 . . . . 41 LEU H . 10048 1 418 . 1 1 41 41 LEU HA H 1 3.809 0.030 . 1 . . . . 41 LEU HA . 10048 1 419 . 1 1 41 41 LEU HB2 H 1 1.742 0.030 . 2 . . . . 41 LEU HB2 . 10048 1 420 . 1 1 41 41 LEU HB3 H 1 1.550 0.030 . 2 . . . . 41 LEU HB3 . 10048 1 421 . 1 1 41 41 LEU HG H 1 1.656 0.030 . 1 . . . . 41 LEU HG . 10048 1 422 . 1 1 41 41 LEU HD11 H 1 0.916 0.030 . 1 . . . . 41 LEU HD1 . 10048 1 423 . 1 1 41 41 LEU HD12 H 1 0.916 0.030 . 1 . . . . 41 LEU HD1 . 10048 1 424 . 1 1 41 41 LEU HD13 H 1 0.916 0.030 . 1 . . . . 41 LEU HD1 . 10048 1 425 . 1 1 41 41 LEU HD21 H 1 0.918 0.030 . 1 . . . . 41 LEU HD2 . 10048 1 426 . 1 1 41 41 LEU HD22 H 1 0.918 0.030 . 1 . . . . 41 LEU HD2 . 10048 1 427 . 1 1 41 41 LEU HD23 H 1 0.918 0.030 . 1 . . . . 41 LEU HD2 . 10048 1 428 . 1 1 41 41 LEU C C 13 178.312 0.300 . 1 . . . . 41 LEU C . 10048 1 429 . 1 1 41 41 LEU CA C 13 57.780 0.300 . 1 . . . . 41 LEU CA . 10048 1 430 . 1 1 41 41 LEU CB C 13 41.786 0.300 . 1 . . . . 41 LEU CB . 10048 1 431 . 1 1 41 41 LEU CG C 13 27.262 0.300 . 1 . . . . 41 LEU CG . 10048 1 432 . 1 1 41 41 LEU CD1 C 13 25.044 0.300 . 1 . . . . 41 LEU CD1 . 10048 1 433 . 1 1 41 41 LEU CD2 C 13 25.044 0.300 . 1 . . . . 41 LEU CD2 . 10048 1 434 . 1 1 41 41 LEU N N 15 117.275 0.300 . 1 . . . . 41 LEU N . 10048 1 435 . 1 1 42 42 ASN H H 1 7.906 0.030 . 1 . . . . 42 ASN H . 10048 1 436 . 1 1 42 42 ASN HA H 1 4.436 0.030 . 1 . . . . 42 ASN HA . 10048 1 437 . 1 1 42 42 ASN HB2 H 1 2.815 0.030 . 2 . . . . 42 ASN HB2 . 10048 1 438 . 1 1 42 42 ASN HB3 H 1 2.855 0.030 . 2 . . . . 42 ASN HB3 . 10048 1 439 . 1 1 42 42 ASN HD21 H 1 7.629 0.030 . 2 . . . . 42 ASN HD21 . 10048 1 440 . 1 1 42 42 ASN HD22 H 1 6.934 0.030 . 2 . . . . 42 ASN HD22 . 10048 1 441 . 1 1 42 42 ASN C C 13 178.331 0.300 . 1 . . . . 42 ASN C . 10048 1 442 . 1 1 42 42 ASN CA C 13 56.680 0.300 . 1 . . . . 42 ASN CA . 10048 1 443 . 1 1 42 42 ASN CB C 13 38.463 0.300 . 1 . . . . 42 ASN CB . 10048 1 444 . 1 1 42 42 ASN N N 15 116.085 0.300 . 1 . . . . 42 ASN N . 10048 1 445 . 1 1 42 42 ASN ND2 N 15 112.870 0.300 . 1 . . . . 42 ASN ND2 . 10048 1 446 . 1 1 43 43 VAL H H 1 7.584 0.030 . 1 . . . . 43 VAL H . 10048 1 447 . 1 1 43 43 VAL HA H 1 3.788 0.030 . 1 . . . . 43 VAL HA . 10048 1 448 . 1 1 43 43 VAL HB H 1 2.208 0.030 . 1 . . . . 43 VAL HB . 10048 1 449 . 1 1 43 43 VAL HG11 H 1 1.097 0.030 . 1 . . . . 43 VAL HG1 . 10048 1 450 . 1 1 43 43 VAL HG12 H 1 1.097 0.030 . 1 . . . . 43 VAL HG1 . 10048 1 451 . 1 1 43 43 VAL HG13 H 1 1.097 0.030 . 1 . . . . 43 VAL HG1 . 10048 1 452 . 1 1 43 43 VAL HG21 H 1 0.957 0.030 . 1 . . . . 43 VAL HG2 . 10048 1 453 . 1 1 43 43 VAL HG22 H 1 0.957 0.030 . 1 . . . . 43 VAL HG2 . 10048 1 454 . 1 1 43 43 VAL HG23 H 1 0.957 0.030 . 1 . . . . 43 VAL HG2 . 10048 1 455 . 1 1 43 43 VAL C C 13 178.514 0.300 . 1 . . . . 43 VAL C . 10048 1 456 . 1 1 43 43 VAL CA C 13 65.833 0.300 . 1 . . . . 43 VAL CA . 10048 1 457 . 1 1 43 43 VAL CB C 13 31.653 0.300 . 1 . . . . 43 VAL CB . 10048 1 458 . 1 1 43 43 VAL CG1 C 13 22.426 0.300 . 2 . . . . 43 VAL CG1 . 10048 1 459 . 1 1 43 43 VAL CG2 C 13 20.836 0.300 . 2 . . . . 43 VAL CG2 . 10048 1 460 . 1 1 43 43 VAL N N 15 118.874 0.300 . 1 . . . . 43 VAL N . 10048 1 461 . 1 1 44 44 LEU H H 1 7.750 0.030 . 1 . . . . 44 LEU H . 10048 1 462 . 1 1 44 44 LEU HA H 1 3.884 0.030 . 1 . . . . 44 LEU HA . 10048 1 463 . 1 1 44 44 LEU HB2 H 1 1.218 0.030 . 2 . . . . 44 LEU HB2 . 10048 1 464 . 1 1 44 44 LEU HB3 H 1 0.468 0.030 . 2 . . . . 44 LEU HB3 . 10048 1 465 . 1 1 44 44 LEU HG H 1 1.380 0.030 . 1 . . . . 44 LEU HG . 10048 1 466 . 1 1 44 44 LEU HD11 H 1 0.260 0.030 . 1 . . . . 44 LEU HD1 . 10048 1 467 . 1 1 44 44 LEU HD12 H 1 0.260 0.030 . 1 . . . . 44 LEU HD1 . 10048 1 468 . 1 1 44 44 LEU HD13 H 1 0.260 0.030 . 1 . . . . 44 LEU HD1 . 10048 1 469 . 1 1 44 44 LEU HD21 H 1 0.556 0.030 . 1 . . . . 44 LEU HD2 . 10048 1 470 . 1 1 44 44 LEU HD22 H 1 0.556 0.030 . 1 . . . . 44 LEU HD2 . 10048 1 471 . 1 1 44 44 LEU HD23 H 1 0.556 0.030 . 1 . . . . 44 LEU HD2 . 10048 1 472 . 1 1 44 44 LEU C C 13 179.343 0.300 . 1 . . . . 44 LEU C . 10048 1 473 . 1 1 44 44 LEU CA C 13 57.424 0.300 . 1 . . . . 44 LEU CA . 10048 1 474 . 1 1 44 44 LEU CB C 13 40.985 0.300 . 1 . . . . 44 LEU CB . 10048 1 475 . 1 1 44 44 LEU CG C 13 26.419 0.300 . 1 . . . . 44 LEU CG . 10048 1 476 . 1 1 44 44 LEU CD1 C 13 26.585 0.300 . 2 . . . . 44 LEU CD1 . 10048 1 477 . 1 1 44 44 LEU CD2 C 13 22.021 0.300 . 2 . . . . 44 LEU CD2 . 10048 1 478 . 1 1 44 44 LEU N N 15 122.451 0.300 . 1 . . . . 44 LEU N . 10048 1 479 . 1 1 45 45 LEU H H 1 8.514 0.030 . 1 . . . . 45 LEU H . 10048 1 480 . 1 1 45 45 LEU HA H 1 4.323 0.030 . 1 . . . . 45 LEU HA . 10048 1 481 . 1 1 45 45 LEU HB2 H 1 1.914 0.030 . 2 . . . . 45 LEU HB2 . 10048 1 482 . 1 1 45 45 LEU HB3 H 1 1.602 0.030 . 2 . . . . 45 LEU HB3 . 10048 1 483 . 1 1 45 45 LEU HG H 1 1.828 0.030 . 1 . . . . 45 LEU HG . 10048 1 484 . 1 1 45 45 LEU HD11 H 1 1.086 0.030 . 1 . . . . 45 LEU HD1 . 10048 1 485 . 1 1 45 45 LEU HD12 H 1 1.086 0.030 . 1 . . . . 45 LEU HD1 . 10048 1 486 . 1 1 45 45 LEU HD13 H 1 1.086 0.030 . 1 . . . . 45 LEU HD1 . 10048 1 487 . 1 1 45 45 LEU HD21 H 1 0.962 0.030 . 1 . . . . 45 LEU HD2 . 10048 1 488 . 1 1 45 45 LEU HD22 H 1 0.962 0.030 . 1 . . . . 45 LEU HD2 . 10048 1 489 . 1 1 45 45 LEU HD23 H 1 0.962 0.030 . 1 . . . . 45 LEU HD2 . 10048 1 490 . 1 1 45 45 LEU C C 13 179.095 0.300 . 1 . . . . 45 LEU C . 10048 1 491 . 1 1 45 45 LEU CA C 13 57.004 0.300 . 1 . . . . 45 LEU CA . 10048 1 492 . 1 1 45 45 LEU CB C 13 42.322 0.300 . 1 . . . . 45 LEU CB . 10048 1 493 . 1 1 45 45 LEU CG C 13 27.284 0.300 . 1 . . . . 45 LEU CG . 10048 1 494 . 1 1 45 45 LEU CD1 C 13 23.332 0.300 . 2 . . . . 45 LEU CD1 . 10048 1 495 . 1 1 45 45 LEU CD2 C 13 25.629 0.300 . 2 . . . . 45 LEU CD2 . 10048 1 496 . 1 1 45 45 LEU N N 15 118.606 0.300 . 1 . . . . 45 LEU N . 10048 1 497 . 1 1 46 46 THR H H 1 7.726 0.030 . 1 . . . . 46 THR H . 10048 1 498 . 1 1 46 46 THR HA H 1 4.309 0.030 . 1 . . . . 46 THR HA . 10048 1 499 . 1 1 46 46 THR HB H 1 4.362 0.030 . 1 . . . . 46 THR HB . 10048 1 500 . 1 1 46 46 THR HG21 H 1 1.269 0.030 . 1 . . . . 46 THR HG2 . 10048 1 501 . 1 1 46 46 THR HG22 H 1 1.269 0.030 . 1 . . . . 46 THR HG2 . 10048 1 502 . 1 1 46 46 THR HG23 H 1 1.269 0.030 . 1 . . . . 46 THR HG2 . 10048 1 503 . 1 1 46 46 THR C C 13 175.623 0.300 . 1 . . . . 46 THR C . 10048 1 504 . 1 1 46 46 THR CA C 13 63.634 0.300 . 1 . . . . 46 THR CA . 10048 1 505 . 1 1 46 46 THR CB C 13 69.690 0.300 . 1 . . . . 46 THR CB . 10048 1 506 . 1 1 46 46 THR CG2 C 13 21.459 0.300 . 1 . . . . 46 THR CG2 . 10048 1 507 . 1 1 46 46 THR N N 15 111.621 0.300 . 1 . . . . 46 THR N . 10048 1 508 . 1 1 47 47 SER H H 1 7.958 0.030 . 1 . . . . 47 SER H . 10048 1 509 . 1 1 47 47 SER HA H 1 4.448 0.030 . 1 . . . . 47 SER HA . 10048 1 510 . 1 1 47 47 SER HB2 H 1 3.988 0.030 . 1 . . . . 47 SER HB2 . 10048 1 511 . 1 1 47 47 SER HB3 H 1 3.988 0.030 . 1 . . . . 47 SER HB3 . 10048 1 512 . 1 1 47 47 SER C C 13 174.729 0.300 . 1 . . . . 47 SER C . 10048 1 513 . 1 1 47 47 SER CA C 13 59.559 0.300 . 1 . . . . 47 SER CA . 10048 1 514 . 1 1 47 47 SER CB C 13 63.752 0.300 . 1 . . . . 47 SER CB . 10048 1 515 . 1 1 47 47 SER N N 15 117.146 0.300 . 1 . . . . 47 SER N . 10048 1 516 . 1 1 48 48 ASN H H 1 8.213 0.030 . 1 . . . . 48 ASN H . 10048 1 517 . 1 1 48 48 ASN HA H 1 4.782 0.030 . 1 . . . . 48 ASN HA . 10048 1 518 . 1 1 48 48 ASN HB2 H 1 2.933 0.030 . 2 . . . . 48 ASN HB2 . 10048 1 519 . 1 1 48 48 ASN HB3 H 1 2.879 0.030 . 2 . . . . 48 ASN HB3 . 10048 1 520 . 1 1 48 48 ASN HD21 H 1 6.965 0.030 . 2 . . . . 48 ASN HD21 . 10048 1 521 . 1 1 48 48 ASN HD22 H 1 7.692 0.030 . 2 . . . . 48 ASN HD22 . 10048 1 522 . 1 1 48 48 ASN C C 13 175.303 0.300 . 1 . . . . 48 ASN C . 10048 1 523 . 1 1 48 48 ASN CA C 13 53.672 0.300 . 1 . . . . 48 ASN CA . 10048 1 524 . 1 1 48 48 ASN CB C 13 38.992 0.300 . 1 . . . . 48 ASN CB . 10048 1 525 . 1 1 48 48 ASN N N 15 120.115 0.300 . 1 . . . . 48 ASN N . 10048 1 526 . 1 1 48 48 ASN ND2 N 15 112.689 0.300 . 1 . . . . 48 ASN ND2 . 10048 1 527 . 1 1 49 49 LYS H H 1 8.106 0.030 . 1 . . . . 49 LYS H . 10048 1 528 . 1 1 49 49 LYS HA H 1 4.302 0.030 . 1 . . . . 49 LYS HA . 10048 1 529 . 1 1 49 49 LYS HB2 H 1 1.906 0.030 . 2 . . . . 49 LYS HB2 . 10048 1 530 . 1 1 49 49 LYS HB3 H 1 1.813 0.030 . 2 . . . . 49 LYS HB3 . 10048 1 531 . 1 1 49 49 LYS HG2 H 1 1.509 0.030 . 2 . . . . 49 LYS HG2 . 10048 1 532 . 1 1 49 49 LYS HG3 H 1 1.449 0.030 . 2 . . . . 49 LYS HG3 . 10048 1 533 . 1 1 49 49 LYS HD2 H 1 1.727 0.030 . 1 . . . . 49 LYS HD2 . 10048 1 534 . 1 1 49 49 LYS HD3 H 1 1.727 0.030 . 1 . . . . 49 LYS HD3 . 10048 1 535 . 1 1 49 49 LYS HE2 H 1 3.043 0.030 . 2 . . . . 49 LYS HE2 . 10048 1 536 . 1 1 49 49 LYS HE3 H 1 2.999 0.030 . 2 . . . . 49 LYS HE3 . 10048 1 537 . 1 1 49 49 LYS C C 13 176.640 0.300 . 1 . . . . 49 LYS C . 10048 1 538 . 1 1 49 49 LYS CA C 13 56.667 0.300 . 1 . . . . 49 LYS CA . 10048 1 539 . 1 1 49 49 LYS CB C 13 32.714 0.300 . 1 . . . . 49 LYS CB . 10048 1 540 . 1 1 49 49 LYS CG C 13 24.926 0.300 . 1 . . . . 49 LYS CG . 10048 1 541 . 1 1 49 49 LYS CD C 13 29.051 0.300 . 1 . . . . 49 LYS CD . 10048 1 542 . 1 1 49 49 LYS CE C 13 42.269 0.300 . 1 . . . . 49 LYS CE . 10048 1 543 . 1 1 49 49 LYS N N 15 120.472 0.300 . 1 . . . . 49 LYS N . 10048 1 544 . 1 1 50 50 GLN H H 1 8.262 0.030 . 1 . . . . 50 GLN H . 10048 1 545 . 1 1 50 50 GLN HA H 1 4.308 0.030 . 1 . . . . 50 GLN HA . 10048 1 546 . 1 1 50 50 GLN HB2 H 1 2.108 0.030 . 2 . . . . 50 GLN HB2 . 10048 1 547 . 1 1 50 50 GLN HB3 H 1 1.993 0.030 . 2 . . . . 50 GLN HB3 . 10048 1 548 . 1 1 50 50 GLN HG2 H 1 2.358 0.030 . 1 . . . . 50 GLN HG2 . 10048 1 549 . 1 1 50 50 GLN HG3 H 1 2.358 0.030 . 1 . . . . 50 GLN HG3 . 10048 1 550 . 1 1 50 50 GLN HE21 H 1 6.858 0.030 . 2 . . . . 50 GLN HE21 . 10048 1 551 . 1 1 50 50 GLN HE22 H 1 7.518 0.030 . 2 . . . . 50 GLN HE22 . 10048 1 552 . 1 1 50 50 GLN C C 13 175.707 0.300 . 1 . . . . 50 GLN C . 10048 1 553 . 1 1 50 50 GLN CA C 13 55.708 0.300 . 1 . . . . 50 GLN CA . 10048 1 554 . 1 1 50 50 GLN CB C 13 29.458 0.300 . 1 . . . . 50 GLN CB . 10048 1 555 . 1 1 50 50 GLN CG C 13 33.891 0.300 . 1 . . . . 50 GLN CG . 10048 1 556 . 1 1 50 50 GLN N N 15 120.369 0.300 . 1 . . . . 50 GLN N . 10048 1 557 . 1 1 50 50 GLN NE2 N 15 112.412 0.300 . 1 . . . . 50 GLN NE2 . 10048 1 558 . 1 1 51 51 LYS H H 1 8.277 0.030 . 1 . . . . 51 LYS H . 10048 1 559 . 1 1 51 51 LYS HA H 1 4.587 0.030 . 1 . . . . 51 LYS HA . 10048 1 560 . 1 1 51 51 LYS HB2 H 1 1.835 0.030 . 2 . . . . 51 LYS HB2 . 10048 1 561 . 1 1 51 51 LYS HB3 H 1 1.729 0.030 . 2 . . . . 51 LYS HB3 . 10048 1 562 . 1 1 51 51 LYS HG2 H 1 1.503 0.030 . 2 . . . . 51 LYS HG2 . 10048 1 563 . 1 1 51 51 LYS HG3 H 1 1.465 0.030 . 2 . . . . 51 LYS HG3 . 10048 1 564 . 1 1 51 51 LYS HD2 H 1 1.713 0.030 . 2 . . . . 51 LYS HD2 . 10048 1 565 . 1 1 51 51 LYS C C 13 174.373 0.300 . 1 . . . . 51 LYS C . 10048 1 566 . 1 1 51 51 LYS CA C 13 54.352 0.300 . 1 . . . . 51 LYS CA . 10048 1 567 . 1 1 51 51 LYS CB C 13 32.495 0.300 . 1 . . . . 51 LYS CB . 10048 1 568 . 1 1 51 51 LYS CG C 13 24.664 0.300 . 1 . . . . 51 LYS CG . 10048 1 569 . 1 1 51 51 LYS CD C 13 29.194 0.300 . 1 . . . . 51 LYS CD . 10048 1 570 . 1 1 51 51 LYS N N 15 123.996 0.300 . 1 . . . . 51 LYS N . 10048 1 571 . 1 1 52 52 PRO HA H 1 4.448 0.030 . 1 . . . . 52 PRO HA . 10048 1 572 . 1 1 52 52 PRO HB2 H 1 2.259 0.030 . 2 . . . . 52 PRO HB2 . 10048 1 573 . 1 1 52 52 PRO HB3 H 1 1.865 0.030 . 2 . . . . 52 PRO HB3 . 10048 1 574 . 1 1 52 52 PRO HG2 H 1 1.998 0.030 . 2 . . . . 52 PRO HG2 . 10048 1 575 . 1 1 52 52 PRO HG3 H 1 2.037 0.030 . 2 . . . . 52 PRO HG3 . 10048 1 576 . 1 1 52 52 PRO HD2 H 1 3.638 0.030 . 2 . . . . 52 PRO HD2 . 10048 1 577 . 1 1 52 52 PRO HD3 H 1 3.822 0.030 . 2 . . . . 52 PRO HD3 . 10048 1 578 . 1 1 52 52 PRO C C 13 176.771 0.300 . 1 . . . . 52 PRO C . 10048 1 579 . 1 1 52 52 PRO CA C 13 63.031 0.300 . 1 . . . . 52 PRO CA . 10048 1 580 . 1 1 52 52 PRO CB C 13 32.145 0.300 . 1 . . . . 52 PRO CB . 10048 1 581 . 1 1 52 52 PRO CG C 13 27.413 0.300 . 1 . . . . 52 PRO CG . 10048 1 582 . 1 1 52 52 PRO CD C 13 50.650 0.300 . 1 . . . . 52 PRO CD . 10048 1 583 . 1 1 53 53 VAL H H 1 8.278 0.030 . 1 . . . . 53 VAL H . 10048 1 584 . 1 1 53 53 VAL HA H 1 4.066 0.030 . 1 . . . . 53 VAL HA . 10048 1 585 . 1 1 53 53 VAL HB H 1 2.051 0.030 . 1 . . . . 53 VAL HB . 10048 1 586 . 1 1 53 53 VAL HG11 H 1 0.967 0.030 . 1 . . . . 53 VAL HG1 . 10048 1 587 . 1 1 53 53 VAL HG12 H 1 0.967 0.030 . 1 . . . . 53 VAL HG1 . 10048 1 588 . 1 1 53 53 VAL HG13 H 1 0.967 0.030 . 1 . . . . 53 VAL HG1 . 10048 1 589 . 1 1 53 53 VAL HG21 H 1 0.935 0.030 . 1 . . . . 53 VAL HG2 . 10048 1 590 . 1 1 53 53 VAL HG22 H 1 0.935 0.030 . 1 . . . . 53 VAL HG2 . 10048 1 591 . 1 1 53 53 VAL HG23 H 1 0.935 0.030 . 1 . . . . 53 VAL HG2 . 10048 1 592 . 1 1 53 53 VAL C C 13 176.281 0.300 . 1 . . . . 53 VAL C . 10048 1 593 . 1 1 53 53 VAL CA C 13 62.437 0.300 . 1 . . . . 53 VAL CA . 10048 1 594 . 1 1 53 53 VAL CB C 13 32.739 0.300 . 1 . . . . 53 VAL CB . 10048 1 595 . 1 1 53 53 VAL CG1 C 13 20.673 0.300 . 2 . . . . 53 VAL CG1 . 10048 1 596 . 1 1 53 53 VAL CG2 C 13 21.222 0.300 . 2 . . . . 53 VAL CG2 . 10048 1 597 . 1 1 53 53 VAL N N 15 120.945 0.300 . 1 . . . . 53 VAL N . 10048 1 598 . 1 1 54 54 MET H H 1 8.451 0.030 . 1 . . . . 54 MET H . 10048 1 599 . 1 1 54 54 MET HA H 1 4.567 0.030 . 1 . . . . 54 MET HA . 10048 1 600 . 1 1 54 54 MET HB2 H 1 2.107 0.030 . 2 . . . . 54 MET HB2 . 10048 1 601 . 1 1 54 54 MET HB3 H 1 2.012 0.030 . 2 . . . . 54 MET HB3 . 10048 1 602 . 1 1 54 54 MET HG2 H 1 2.509 0.030 . 2 . . . . 54 MET HG2 . 10048 1 603 . 1 1 54 54 MET HG3 H 1 2.642 0.030 . 2 . . . . 54 MET HG3 . 10048 1 604 . 1 1 54 54 MET HE1 H 1 2.092 0.030 . 1 . . . . 54 MET HE . 10048 1 605 . 1 1 54 54 MET HE2 H 1 2.092 0.030 . 1 . . . . 54 MET HE . 10048 1 606 . 1 1 54 54 MET HE3 H 1 2.092 0.030 . 1 . . . . 54 MET HE . 10048 1 607 . 1 1 54 54 MET C C 13 176.195 0.300 . 1 . . . . 54 MET C . 10048 1 608 . 1 1 54 54 MET CA C 13 55.160 0.300 . 1 . . . . 54 MET CA . 10048 1 609 . 1 1 54 54 MET CB C 13 33.173 0.300 . 1 . . . . 54 MET CB . 10048 1 610 . 1 1 54 54 MET CG C 13 32.064 0.300 . 1 . . . . 54 MET CG . 10048 1 611 . 1 1 54 54 MET CE C 13 16.910 0.300 . 1 . . . . 54 MET CE . 10048 1 612 . 1 1 54 54 MET N N 15 124.530 0.300 . 1 . . . . 54 MET N . 10048 1 613 . 1 1 55 55 GLY H H 1 8.234 0.030 . 1 . . . . 55 GLY H . 10048 1 614 . 1 1 55 55 GLY HA2 H 1 4.182 0.030 . 2 . . . . 55 GLY HA2 . 10048 1 615 . 1 1 55 55 GLY HA3 H 1 3.995 0.030 . 2 . . . . 55 GLY HA3 . 10048 1 616 . 1 1 55 55 GLY C C 13 170.991 0.300 . 1 . . . . 55 GLY C . 10048 1 617 . 1 1 55 55 GLY CA C 13 44.532 0.300 . 1 . . . . 55 GLY CA . 10048 1 618 . 1 1 55 55 GLY N N 15 110.573 0.300 . 1 . . . . 55 GLY N . 10048 1 619 . 1 1 56 56 PRO HA H 1 4.724 0.030 . 1 . . . . 56 PRO HA . 10048 1 620 . 1 1 56 56 PRO HB2 H 1 2.339 0.030 . 2 . . . . 56 PRO HB2 . 10048 1 621 . 1 1 56 56 PRO HB3 H 1 1.941 0.030 . 2 . . . . 56 PRO HB3 . 10048 1 622 . 1 1 56 56 PRO HG2 H 1 2.035 0.030 . 1 . . . . 56 PRO HG2 . 10048 1 623 . 1 1 56 56 PRO HG3 H 1 2.035 0.030 . 1 . . . . 56 PRO HG3 . 10048 1 624 . 1 1 56 56 PRO HD2 H 1 3.639 0.030 . 2 . . . . 56 PRO HD2 . 10048 1 625 . 1 1 56 56 PRO HD3 H 1 3.599 0.030 . 2 . . . . 56 PRO HD3 . 10048 1 626 . 1 1 56 56 PRO CA C 13 61.507 0.300 . 1 . . . . 56 PRO CA . 10048 1 627 . 1 1 56 56 PRO CB C 13 30.879 0.300 . 1 . . . . 56 PRO CB . 10048 1 628 . 1 1 56 56 PRO CG C 13 27.201 0.300 . 1 . . . . 56 PRO CG . 10048 1 629 . 1 1 56 56 PRO CD C 13 49.660 0.300 . 1 . . . . 56 PRO CD . 10048 1 630 . 1 1 57 57 PRO HA H 1 4.481 0.030 . 1 . . . . 57 PRO HA . 10048 1 631 . 1 1 57 57 PRO HB2 H 1 2.308 0.030 . 2 . . . . 57 PRO HB2 . 10048 1 632 . 1 1 57 57 PRO HB3 H 1 1.976 0.030 . 2 . . . . 57 PRO HB3 . 10048 1 633 . 1 1 57 57 PRO HG2 H 1 2.049 0.030 . 1 . . . . 57 PRO HG2 . 10048 1 634 . 1 1 57 57 PRO HG3 H 1 2.049 0.030 . 1 . . . . 57 PRO HG3 . 10048 1 635 . 1 1 57 57 PRO HD2 H 1 3.825 0.030 . 2 . . . . 57 PRO HD2 . 10048 1 636 . 1 1 57 57 PRO HD3 H 1 3.669 0.030 . 2 . . . . 57 PRO HD3 . 10048 1 637 . 1 1 57 57 PRO C C 13 177.111 0.300 . 1 . . . . 57 PRO C . 10048 1 638 . 1 1 57 57 PRO CA C 13 63.246 0.300 . 1 . . . . 57 PRO CA . 10048 1 639 . 1 1 57 57 PRO CB C 13 32.155 0.300 . 1 . . . . 57 PRO CB . 10048 1 640 . 1 1 57 57 PRO CG C 13 27.374 0.300 . 1 . . . . 57 PRO CG . 10048 1 641 . 1 1 57 57 PRO CD C 13 50.484 0.300 . 1 . . . . 57 PRO CD . 10048 1 642 . 1 1 58 58 SER H H 1 8.390 0.030 . 1 . . . . 58 SER H . 10048 1 643 . 1 1 58 58 SER HB2 H 1 3.883 0.030 . 1 . . . . 58 SER HB2 . 10048 1 644 . 1 1 58 58 SER HB3 H 1 3.883 0.030 . 1 . . . . 58 SER HB3 . 10048 1 645 . 1 1 58 58 SER C C 13 174.707 0.300 . 1 . . . . 58 SER C . 10048 1 646 . 1 1 58 58 SER CA C 13 58.209 0.300 . 1 . . . . 58 SER CA . 10048 1 647 . 1 1 58 58 SER CB C 13 64.123 0.300 . 1 . . . . 58 SER CB . 10048 1 648 . 1 1 58 58 SER N N 15 115.863 0.300 . 1 . . . . 58 SER N . 10048 1 649 . 1 1 60 60 PRO HA H 1 4.473 0.030 . 1 . . . . 60 PRO HA . 10048 1 650 . 1 1 60 60 PRO HB2 H 1 2.300 0.030 . 2 . . . . 60 PRO HB2 . 10048 1 651 . 1 1 60 60 PRO HB3 H 1 1.982 0.030 . 2 . . . . 60 PRO HB3 . 10048 1 652 . 1 1 60 60 PRO HG2 H 1 2.033 0.030 . 1 . . . . 60 PRO HG2 . 10048 1 653 . 1 1 60 60 PRO HG3 H 1 2.033 0.030 . 1 . . . . 60 PRO HG3 . 10048 1 654 . 1 1 60 60 PRO HD2 H 1 3.640 0.030 . 2 . . . . 60 PRO HD2 . 10048 1 655 . 1 1 60 60 PRO HD3 H 1 3.598 0.030 . 2 . . . . 60 PRO HD3 . 10048 1 656 . 1 1 60 60 PRO C C 13 177.425 0.300 . 1 . . . . 60 PRO C . 10048 1 657 . 1 1 60 60 PRO CA C 13 63.343 0.300 . 1 . . . . 60 PRO CA . 10048 1 658 . 1 1 60 60 PRO CB C 13 32.258 0.300 . 1 . . . . 60 PRO CB . 10048 1 659 . 1 1 60 60 PRO CG C 13 27.142 0.300 . 1 . . . . 60 PRO CG . 10048 1 660 . 1 1 60 60 PRO CD C 13 49.673 0.300 . 1 . . . . 60 PRO CD . 10048 1 661 . 1 1 61 61 SER H H 1 8.522 0.030 . 1 . . . . 61 SER H . 10048 1 662 . 1 1 61 61 SER C C 13 174.707 0.300 . 1 . . . . 61 SER C . 10048 1 663 . 1 1 61 61 SER CA C 13 58.338 0.300 . 1 . . . . 61 SER CA . 10048 1 664 . 1 1 61 61 SER CB C 13 63.972 0.300 . 1 . . . . 61 SER CB . 10048 1 665 . 1 1 61 61 SER N N 15 116.392 0.300 . 1 . . . . 61 SER N . 10048 1 666 . 1 1 62 62 SER HA H 1 4.498 0.030 . 1 . . . . 62 SER HA . 10048 1 667 . 1 1 62 62 SER HB2 H 1 3.924 0.030 . 2 . . . . 62 SER HB2 . 10048 1 668 . 1 1 62 62 SER HB3 H 1 3.882 0.030 . 2 . . . . 62 SER HB3 . 10048 1 669 . 1 1 62 62 SER C C 13 173.960 0.300 . 1 . . . . 62 SER C . 10048 1 670 . 1 1 62 62 SER CA C 13 58.427 0.300 . 1 . . . . 62 SER CA . 10048 1 671 . 1 1 62 62 SER CB C 13 64.114 0.300 . 1 . . . . 62 SER CB . 10048 1 672 . 1 1 63 63 GLY H H 1 8.046 0.030 . 1 . . . . 63 GLY H . 10048 1 673 . 1 1 63 63 GLY C C 13 179.023 0.300 . 1 . . . . 63 GLY C . 10048 1 674 . 1 1 63 63 GLY CA C 13 46.282 0.300 . 1 . . . . 63 GLY CA . 10048 1 675 . 1 1 63 63 GLY N N 15 116.889 0.300 . 1 . . . . 63 GLY N . 10048 1 stop_ save_