data_10087 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10087 _Entry.Title ; Solution structure of C-terminal ubiquitin like domain of human 2'-5'-oligoadenylate synthetase-like protain (p59 OASL) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _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 N. Tochio . . . 10087 2 T. Tomizawa . . . 10087 3 S. Koshiba . . . 10087 4 M. Inoue . . . 10087 5 T. Kigawa . . . 10087 6 S. Yokoyama . . . 10087 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' . 10087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 10087 '15N chemical shifts' 87 10087 '1H chemical shifts' 550 10087 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 . . 2008-08-14 2007-01-24 original author . 10087 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH3 'BMRB Entry Tracking System' 10087 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10087 _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 C-terminal ubiquitin like domain of human 2'-5'-oligoadenylate synthetase-like protain (p59 OASL) ; _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 N. Tochio . . . 10087 1 2 T. Tomizawa . . . 10087 1 3 S. Koshiba . . . 10087 1 4 M. Inoue . . . 10087 1 5 T. Kigawa . . . 10087 1 6 S. Yokoyama . . . 10087 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10087 _Assembly.ID 1 _Assembly.Name '59 kDa 2'-5'-oligoadenylate synthetase like protein' _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' 10087 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 '59 kDa 2'-5'-oligoadenylate synthetase like protein' 1 $entity_1 . . yes native no no . . . 10087 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 1WH3 . . . . . . 10087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin like 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 ; GSSGSSGIQVFVKNPDGGSY AYAINPNSFILGLKQQIEDQ QGLPKKQQQLEFQGQVLQDW LGLGIYGIQDSDTLILSKKK GSGPSSG ; _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 87 _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 1WH3 . "Solution Structure Of C-Terminal Ubiquitin Like Domain Of Human 2'-5'-Oligoadenylate Synthetase-Like Protain (P59 Oasl)" . . . . . 100.00 87 100.00 100.00 5.42e-51 . . . . 10087 1 2 no DBJ BAK62869 . "59 kDa 2'-5'-oligoadenylate synthetase-like protein [Pan troglodytes]" . . . . . 83.91 514 100.00 100.00 7.83e-42 . . . . 10087 1 3 no REF NP_001267398 . "2'-5'-oligoadenylate synthase-like protein [Pan troglodytes]" . . . . . 83.91 514 100.00 100.00 7.83e-42 . . . . 10087 1 4 no REF XP_003907322 . "PREDICTED: 2'-5'-oligoadenylate synthase-like protein [Papio anubis]" . . . . . 83.91 515 97.26 98.63 2.43e-38 . . . . 10087 1 5 no REF XP_004054078 . "PREDICTED: 2'-5'-oligoadenylate synthase-like protein isoform 1 [Gorilla gorilla gorilla]" . . . . . 87.36 514 97.37 97.37 6.76e-41 . . . . 10087 1 6 no REF XP_004054079 . "PREDICTED: 2'-5'-oligoadenylate synthase-like protein isoform 2 [Gorilla gorilla gorilla]" . . . . . 87.36 384 97.37 97.37 2.07e-41 . . . . 10087 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin like domain' . 10087 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 . 10087 1 2 . SER . 10087 1 3 . SER . 10087 1 4 . GLY . 10087 1 5 . SER . 10087 1 6 . SER . 10087 1 7 . GLY . 10087 1 8 . ILE . 10087 1 9 . GLN . 10087 1 10 . VAL . 10087 1 11 . PHE . 10087 1 12 . VAL . 10087 1 13 . LYS . 10087 1 14 . ASN . 10087 1 15 . PRO . 10087 1 16 . ASP . 10087 1 17 . GLY . 10087 1 18 . GLY . 10087 1 19 . SER . 10087 1 20 . TYR . 10087 1 21 . ALA . 10087 1 22 . TYR . 10087 1 23 . ALA . 10087 1 24 . ILE . 10087 1 25 . ASN . 10087 1 26 . PRO . 10087 1 27 . ASN . 10087 1 28 . SER . 10087 1 29 . PHE . 10087 1 30 . ILE . 10087 1 31 . LEU . 10087 1 32 . GLY . 10087 1 33 . LEU . 10087 1 34 . LYS . 10087 1 35 . GLN . 10087 1 36 . GLN . 10087 1 37 . ILE . 10087 1 38 . GLU . 10087 1 39 . ASP . 10087 1 40 . GLN . 10087 1 41 . GLN . 10087 1 42 . GLY . 10087 1 43 . LEU . 10087 1 44 . PRO . 10087 1 45 . LYS . 10087 1 46 . LYS . 10087 1 47 . GLN . 10087 1 48 . GLN . 10087 1 49 . GLN . 10087 1 50 . LEU . 10087 1 51 . GLU . 10087 1 52 . PHE . 10087 1 53 . GLN . 10087 1 54 . GLY . 10087 1 55 . GLN . 10087 1 56 . VAL . 10087 1 57 . LEU . 10087 1 58 . GLN . 10087 1 59 . ASP . 10087 1 60 . TRP . 10087 1 61 . LEU . 10087 1 62 . GLY . 10087 1 63 . LEU . 10087 1 64 . GLY . 10087 1 65 . ILE . 10087 1 66 . TYR . 10087 1 67 . GLY . 10087 1 68 . ILE . 10087 1 69 . GLN . 10087 1 70 . ASP . 10087 1 71 . SER . 10087 1 72 . ASP . 10087 1 73 . THR . 10087 1 74 . LEU . 10087 1 75 . ILE . 10087 1 76 . LEU . 10087 1 77 . SER . 10087 1 78 . LYS . 10087 1 79 . LYS . 10087 1 80 . LYS . 10087 1 81 . GLY . 10087 1 82 . SER . 10087 1 83 . GLY . 10087 1 84 . PRO . 10087 1 85 . SER . 10087 1 86 . SER . 10087 1 87 . GLY . 10087 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 10087 1 . SER 2 2 10087 1 . SER 3 3 10087 1 . GLY 4 4 10087 1 . SER 5 5 10087 1 . SER 6 6 10087 1 . GLY 7 7 10087 1 . ILE 8 8 10087 1 . GLN 9 9 10087 1 . VAL 10 10 10087 1 . PHE 11 11 10087 1 . VAL 12 12 10087 1 . LYS 13 13 10087 1 . ASN 14 14 10087 1 . PRO 15 15 10087 1 . ASP 16 16 10087 1 . GLY 17 17 10087 1 . GLY 18 18 10087 1 . SER 19 19 10087 1 . TYR 20 20 10087 1 . ALA 21 21 10087 1 . TYR 22 22 10087 1 . ALA 23 23 10087 1 . ILE 24 24 10087 1 . ASN 25 25 10087 1 . PRO 26 26 10087 1 . ASN 27 27 10087 1 . SER 28 28 10087 1 . PHE 29 29 10087 1 . ILE 30 30 10087 1 . LEU 31 31 10087 1 . GLY 32 32 10087 1 . LEU 33 33 10087 1 . LYS 34 34 10087 1 . GLN 35 35 10087 1 . GLN 36 36 10087 1 . ILE 37 37 10087 1 . GLU 38 38 10087 1 . ASP 39 39 10087 1 . GLN 40 40 10087 1 . GLN 41 41 10087 1 . GLY 42 42 10087 1 . LEU 43 43 10087 1 . PRO 44 44 10087 1 . LYS 45 45 10087 1 . LYS 46 46 10087 1 . GLN 47 47 10087 1 . GLN 48 48 10087 1 . GLN 49 49 10087 1 . LEU 50 50 10087 1 . GLU 51 51 10087 1 . PHE 52 52 10087 1 . GLN 53 53 10087 1 . GLY 54 54 10087 1 . GLN 55 55 10087 1 . VAL 56 56 10087 1 . LEU 57 57 10087 1 . GLN 58 58 10087 1 . ASP 59 59 10087 1 . TRP 60 60 10087 1 . LEU 61 61 10087 1 . GLY 62 62 10087 1 . LEU 63 63 10087 1 . GLY 64 64 10087 1 . ILE 65 65 10087 1 . TYR 66 66 10087 1 . GLY 67 67 10087 1 . ILE 68 68 10087 1 . GLN 69 69 10087 1 . ASP 70 70 10087 1 . SER 71 71 10087 1 . ASP 72 72 10087 1 . THR 73 73 10087 1 . LEU 74 74 10087 1 . ILE 75 75 10087 1 . LEU 76 76 10087 1 . SER 77 77 10087 1 . LYS 78 78 10087 1 . LYS 79 79 10087 1 . LYS 80 80 10087 1 . GLY 81 81 10087 1 . SER 82 82 10087 1 . GLY 83 83 10087 1 . PRO 84 84 10087 1 . SER 85 85 10087 1 . SER 86 86 10087 1 . GLY 87 87 10087 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 10087 _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 . . . . . . . . . . . . . . . . . . . . . 10087 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 10087 _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 . . P040301-13 . . . . . . 10087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10087 _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 'ubiquitin like domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 10087 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10087 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10087 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10087 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10087 1 6 H2O . . . . . . solvent 90 . . % . . . . 10087 1 7 D2O . . . . . . solvent 10 . . % . . . . 10087 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 10087 _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 10087 1 pH 7.5 0.05 pH 10087 1 pressure 1 0.001 atm 10087 1 temperature 296 0.1 K 10087 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10087 _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 . . 10087 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10087 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10087 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10087 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10087 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10087 _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.' . . 10087 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10087 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10087 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8994 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10087 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10087 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10087 _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.' . . 10087 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10087 5 'structure solution' 10087 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 10087 _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 10087 _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 . . . . . . . . . . . . . . . . 10087 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10087 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 10087 _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 10087 _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 10087 _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 . . . . . . . . . 10087 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10087 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10087 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 10087 _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 10087 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10087 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 4.482 0.030 . 1 . . . . 6 SER HA . 10087 1 2 . 1 1 6 6 SER HB2 H 1 3.846 0.030 . 2 . . . . 6 SER HB2 . 10087 1 3 . 1 1 6 6 SER C C 13 174.264 0.300 . 1 . . . . 6 SER C . 10087 1 4 . 1 1 6 6 SER CA C 13 58.407 0.300 . 1 . . . . 6 SER CA . 10087 1 5 . 1 1 6 6 SER CB C 13 63.880 0.300 . 1 . . . . 6 SER CB . 10087 1 6 . 1 1 7 7 GLY H H 1 8.152 0.030 . 1 . . . . 7 GLY H . 10087 1 7 . 1 1 7 7 GLY HA2 H 1 4.041 0.030 . 2 . . . . 7 GLY HA2 . 10087 1 8 . 1 1 7 7 GLY HA3 H 1 3.887 0.030 . 2 . . . . 7 GLY HA3 . 10087 1 9 . 1 1 7 7 GLY C C 13 173.289 0.300 . 1 . . . . 7 GLY C . 10087 1 10 . 1 1 7 7 GLY CA C 13 45.216 0.300 . 1 . . . . 7 GLY CA . 10087 1 11 . 1 1 7 7 GLY N N 15 109.587 0.300 . 1 . . . . 7 GLY N . 10087 1 12 . 1 1 8 8 ILE H H 1 8.443 0.030 . 1 . . . . 8 ILE H . 10087 1 13 . 1 1 8 8 ILE HA H 1 4.695 0.030 . 1 . . . . 8 ILE HA . 10087 1 14 . 1 1 8 8 ILE HB H 1 1.802 0.030 . 1 . . . . 8 ILE HB . 10087 1 15 . 1 1 8 8 ILE HG12 H 1 1.177 0.030 . 2 . . . . 8 ILE HG12 . 10087 1 16 . 1 1 8 8 ILE HG13 H 1 0.836 0.030 . 2 . . . . 8 ILE HG13 . 10087 1 17 . 1 1 8 8 ILE HG21 H 1 0.923 0.030 . 1 . . . . 8 ILE HG2 . 10087 1 18 . 1 1 8 8 ILE HG22 H 1 0.923 0.030 . 1 . . . . 8 ILE HG2 . 10087 1 19 . 1 1 8 8 ILE HG23 H 1 0.923 0.030 . 1 . . . . 8 ILE HG2 . 10087 1 20 . 1 1 8 8 ILE HD11 H 1 0.509 0.030 . 1 . . . . 8 ILE HD1 . 10087 1 21 . 1 1 8 8 ILE HD12 H 1 0.509 0.030 . 1 . . . . 8 ILE HD1 . 10087 1 22 . 1 1 8 8 ILE HD13 H 1 0.509 0.030 . 1 . . . . 8 ILE HD1 . 10087 1 23 . 1 1 8 8 ILE C C 13 174.240 0.300 . 1 . . . . 8 ILE C . 10087 1 24 . 1 1 8 8 ILE CA C 13 59.847 0.300 . 1 . . . . 8 ILE CA . 10087 1 25 . 1 1 8 8 ILE CB C 13 41.984 0.300 . 1 . . . . 8 ILE CB . 10087 1 26 . 1 1 8 8 ILE CG1 C 13 25.797 0.300 . 1 . . . . 8 ILE CG1 . 10087 1 27 . 1 1 8 8 ILE CG2 C 13 18.215 0.300 . 1 . . . . 8 ILE CG2 . 10087 1 28 . 1 1 8 8 ILE CD1 C 13 13.418 0.300 . 1 . . . . 8 ILE CD1 . 10087 1 29 . 1 1 8 8 ILE N N 15 115.361 0.300 . 1 . . . . 8 ILE N . 10087 1 30 . 1 1 9 9 GLN H H 1 8.771 0.030 . 1 . . . . 9 GLN H . 10087 1 31 . 1 1 9 9 GLN HA H 1 5.259 0.030 . 1 . . . . 9 GLN HA . 10087 1 32 . 1 1 9 9 GLN HB2 H 1 1.770 0.030 . 2 . . . . 9 GLN HB2 . 10087 1 33 . 1 1 9 9 GLN HB3 H 1 1.721 0.030 . 2 . . . . 9 GLN HB3 . 10087 1 34 . 1 1 9 9 GLN HG2 H 1 1.872 0.030 . 2 . . . . 9 GLN HG2 . 10087 1 35 . 1 1 9 9 GLN HG3 H 1 1.754 0.030 . 2 . . . . 9 GLN HG3 . 10087 1 36 . 1 1 9 9 GLN HE21 H 1 7.153 0.030 . 2 . . . . 9 GLN HE21 . 10087 1 37 . 1 1 9 9 GLN HE22 H 1 6.612 0.030 . 2 . . . . 9 GLN HE22 . 10087 1 38 . 1 1 9 9 GLN C C 13 175.109 0.300 . 1 . . . . 9 GLN C . 10087 1 39 . 1 1 9 9 GLN CA C 13 54.157 0.300 . 1 . . . . 9 GLN CA . 10087 1 40 . 1 1 9 9 GLN CB C 13 31.238 0.300 . 1 . . . . 9 GLN CB . 10087 1 41 . 1 1 9 9 GLN CG C 13 34.473 0.300 . 1 . . . . 9 GLN CG . 10087 1 42 . 1 1 9 9 GLN N N 15 121.507 0.300 . 1 . . . . 9 GLN N . 10087 1 43 . 1 1 9 9 GLN NE2 N 15 110.837 0.300 . 1 . . . . 9 GLN NE2 . 10087 1 44 . 1 1 10 10 VAL H H 1 8.719 0.030 . 1 . . . . 10 VAL H . 10087 1 45 . 1 1 10 10 VAL HA H 1 4.612 0.030 . 1 . . . . 10 VAL HA . 10087 1 46 . 1 1 10 10 VAL HB H 1 1.921 0.030 . 1 . . . . 10 VAL HB . 10087 1 47 . 1 1 10 10 VAL HG11 H 1 0.644 0.030 . 1 . . . . 10 VAL HG1 . 10087 1 48 . 1 1 10 10 VAL HG12 H 1 0.644 0.030 . 1 . . . . 10 VAL HG1 . 10087 1 49 . 1 1 10 10 VAL HG13 H 1 0.644 0.030 . 1 . . . . 10 VAL HG1 . 10087 1 50 . 1 1 10 10 VAL HG21 H 1 0.635 0.030 . 1 . . . . 10 VAL HG2 . 10087 1 51 . 1 1 10 10 VAL HG22 H 1 0.635 0.030 . 1 . . . . 10 VAL HG2 . 10087 1 52 . 1 1 10 10 VAL HG23 H 1 0.635 0.030 . 1 . . . . 10 VAL HG2 . 10087 1 53 . 1 1 10 10 VAL C C 13 173.976 0.300 . 1 . . . . 10 VAL C . 10087 1 54 . 1 1 10 10 VAL CA C 13 58.973 0.300 . 1 . . . . 10 VAL CA . 10087 1 55 . 1 1 10 10 VAL CB C 13 34.913 0.300 . 1 . . . . 10 VAL CB . 10087 1 56 . 1 1 10 10 VAL CG1 C 13 21.905 0.300 . 2 . . . . 10 VAL CG1 . 10087 1 57 . 1 1 10 10 VAL CG2 C 13 19.243 0.300 . 2 . . . . 10 VAL CG2 . 10087 1 58 . 1 1 10 10 VAL N N 15 117.931 0.300 . 1 . . . . 10 VAL N . 10087 1 59 . 1 1 11 11 PHE H H 1 8.907 0.030 . 1 . . . . 11 PHE H . 10087 1 60 . 1 1 11 11 PHE HA H 1 5.381 0.030 . 1 . . . . 11 PHE HA . 10087 1 61 . 1 1 11 11 PHE HB2 H 1 3.169 0.030 . 2 . . . . 11 PHE HB2 . 10087 1 62 . 1 1 11 11 PHE HB3 H 1 2.810 0.030 . 2 . . . . 11 PHE HB3 . 10087 1 63 . 1 1 11 11 PHE HD1 H 1 6.948 0.030 . 1 . . . . 11 PHE HD1 . 10087 1 64 . 1 1 11 11 PHE HD2 H 1 6.948 0.030 . 1 . . . . 11 PHE HD2 . 10087 1 65 . 1 1 11 11 PHE HE1 H 1 7.229 0.030 . 1 . . . . 11 PHE HE1 . 10087 1 66 . 1 1 11 11 PHE HE2 H 1 7.229 0.030 . 1 . . . . 11 PHE HE2 . 10087 1 67 . 1 1 11 11 PHE HZ H 1 7.181 0.030 . 1 . . . . 11 PHE HZ . 10087 1 68 . 1 1 11 11 PHE C C 13 175.437 0.300 . 1 . . . . 11 PHE C . 10087 1 69 . 1 1 11 11 PHE CA C 13 56.500 0.300 . 1 . . . . 11 PHE CA . 10087 1 70 . 1 1 11 11 PHE CB C 13 40.919 0.300 . 1 . . . . 11 PHE CB . 10087 1 71 . 1 1 11 11 PHE CD1 C 13 131.492 0.300 . 1 . . . . 11 PHE CD1 . 10087 1 72 . 1 1 11 11 PHE CD2 C 13 131.492 0.300 . 1 . . . . 11 PHE CD2 . 10087 1 73 . 1 1 11 11 PHE CE1 C 13 131.092 0.300 . 1 . . . . 11 PHE CE1 . 10087 1 74 . 1 1 11 11 PHE CE2 C 13 131.092 0.300 . 1 . . . . 11 PHE CE2 . 10087 1 75 . 1 1 11 11 PHE CZ C 13 129.627 0.300 . 1 . . . . 11 PHE CZ . 10087 1 76 . 1 1 11 11 PHE N N 15 120.682 0.300 . 1 . . . . 11 PHE N . 10087 1 77 . 1 1 12 12 VAL H H 1 9.416 0.030 . 1 . . . . 12 VAL H . 10087 1 78 . 1 1 12 12 VAL HA H 1 4.832 0.030 . 1 . . . . 12 VAL HA . 10087 1 79 . 1 1 12 12 VAL HB H 1 2.292 0.030 . 1 . . . . 12 VAL HB . 10087 1 80 . 1 1 12 12 VAL HG11 H 1 0.848 0.030 . 1 . . . . 12 VAL HG1 . 10087 1 81 . 1 1 12 12 VAL HG12 H 1 0.848 0.030 . 1 . . . . 12 VAL HG1 . 10087 1 82 . 1 1 12 12 VAL HG13 H 1 0.848 0.030 . 1 . . . . 12 VAL HG1 . 10087 1 83 . 1 1 12 12 VAL HG21 H 1 0.862 0.030 . 1 . . . . 12 VAL HG2 . 10087 1 84 . 1 1 12 12 VAL HG22 H 1 0.862 0.030 . 1 . . . . 12 VAL HG2 . 10087 1 85 . 1 1 12 12 VAL HG23 H 1 0.862 0.030 . 1 . . . . 12 VAL HG2 . 10087 1 86 . 1 1 12 12 VAL C C 13 175.726 0.300 . 1 . . . . 12 VAL C . 10087 1 87 . 1 1 12 12 VAL CA C 13 61.139 0.300 . 1 . . . . 12 VAL CA . 10087 1 88 . 1 1 12 12 VAL CB C 13 34.120 0.300 . 1 . . . . 12 VAL CB . 10087 1 89 . 1 1 12 12 VAL CG1 C 13 23.267 0.300 . 2 . . . . 12 VAL CG1 . 10087 1 90 . 1 1 12 12 VAL CG2 C 13 21.883 0.300 . 2 . . . . 12 VAL CG2 . 10087 1 91 . 1 1 12 12 VAL N N 15 122.021 0.300 . 1 . . . . 12 VAL N . 10087 1 92 . 1 1 13 13 LYS H H 1 9.253 0.030 . 1 . . . . 13 LYS H . 10087 1 93 . 1 1 13 13 LYS HA H 1 4.994 0.030 . 1 . . . . 13 LYS HA . 10087 1 94 . 1 1 13 13 LYS HB2 H 1 1.884 0.030 . 2 . . . . 13 LYS HB2 . 10087 1 95 . 1 1 13 13 LYS HB3 H 1 1.594 0.030 . 2 . . . . 13 LYS HB3 . 10087 1 96 . 1 1 13 13 LYS HG2 H 1 1.425 0.030 . 2 . . . . 13 LYS HG2 . 10087 1 97 . 1 1 13 13 LYS HG3 H 1 1.324 0.030 . 2 . . . . 13 LYS HG3 . 10087 1 98 . 1 1 13 13 LYS HD2 H 1 1.610 0.030 . 2 . . . . 13 LYS HD2 . 10087 1 99 . 1 1 13 13 LYS HE2 H 1 2.920 0.030 . 1 . . . . 13 LYS HE2 . 10087 1 100 . 1 1 13 13 LYS HE3 H 1 2.920 0.030 . 1 . . . . 13 LYS HE3 . 10087 1 101 . 1 1 13 13 LYS C C 13 175.079 0.300 . 1 . . . . 13 LYS C . 10087 1 102 . 1 1 13 13 LYS CA C 13 55.372 0.300 . 1 . . . . 13 LYS CA . 10087 1 103 . 1 1 13 13 LYS CB C 13 34.400 0.300 . 1 . . . . 13 LYS CB . 10087 1 104 . 1 1 13 13 LYS CG C 13 24.736 0.300 . 1 . . . . 13 LYS CG . 10087 1 105 . 1 1 13 13 LYS CD C 13 29.535 0.300 . 1 . . . . 13 LYS CD . 10087 1 106 . 1 1 13 13 LYS CE C 13 42.060 0.300 . 1 . . . . 13 LYS CE . 10087 1 107 . 1 1 13 13 LYS N N 15 130.777 0.300 . 1 . . . . 13 LYS N . 10087 1 108 . 1 1 14 14 ASN H H 1 8.866 0.030 . 1 . . . . 14 ASN H . 10087 1 109 . 1 1 14 14 ASN HA H 1 5.235 0.030 . 1 . . . . 14 ASN HA . 10087 1 110 . 1 1 14 14 ASN HB2 H 1 2.998 0.030 . 2 . . . . 14 ASN HB2 . 10087 1 111 . 1 1 14 14 ASN HB3 H 1 2.950 0.030 . 2 . . . . 14 ASN HB3 . 10087 1 112 . 1 1 14 14 ASN HD21 H 1 7.691 0.030 . 2 . . . . 14 ASN HD21 . 10087 1 113 . 1 1 14 14 ASN HD22 H 1 6.758 0.030 . 2 . . . . 14 ASN HD22 . 10087 1 114 . 1 1 14 14 ASN C C 13 176.034 0.300 . 1 . . . . 14 ASN C . 10087 1 115 . 1 1 14 14 ASN CA C 13 51.643 0.300 . 1 . . . . 14 ASN CA . 10087 1 116 . 1 1 14 14 ASN CB C 13 39.195 0.300 . 1 . . . . 14 ASN CB . 10087 1 117 . 1 1 14 14 ASN N N 15 125.495 0.300 . 1 . . . . 14 ASN N . 10087 1 118 . 1 1 14 14 ASN ND2 N 15 111.508 0.300 . 1 . . . . 14 ASN ND2 . 10087 1 119 . 1 1 15 15 PRO HA H 1 4.425 0.030 . 1 . . . . 15 PRO HA . 10087 1 120 . 1 1 15 15 PRO HB2 H 1 2.470 0.030 . 2 . . . . 15 PRO HB2 . 10087 1 121 . 1 1 15 15 PRO HB3 H 1 1.967 0.030 . 2 . . . . 15 PRO HB3 . 10087 1 122 . 1 1 15 15 PRO HG2 H 1 2.062 0.030 . 2 . . . . 15 PRO HG2 . 10087 1 123 . 1 1 15 15 PRO HD2 H 1 3.896 0.030 . 2 . . . . 15 PRO HD2 . 10087 1 124 . 1 1 15 15 PRO HD3 H 1 3.782 0.030 . 2 . . . . 15 PRO HD3 . 10087 1 125 . 1 1 15 15 PRO C C 13 177.015 0.300 . 1 . . . . 15 PRO C . 10087 1 126 . 1 1 15 15 PRO CA C 13 65.296 0.300 . 1 . . . . 15 PRO CA . 10087 1 127 . 1 1 15 15 PRO CB C 13 32.039 0.300 . 1 . . . . 15 PRO CB . 10087 1 128 . 1 1 15 15 PRO CG C 13 27.800 0.300 . 1 . . . . 15 PRO CG . 10087 1 129 . 1 1 15 15 PRO CD C 13 50.794 0.300 . 1 . . . . 15 PRO CD . 10087 1 130 . 1 1 16 16 ASP H H 1 7.962 0.030 . 1 . . . . 16 ASP H . 10087 1 131 . 1 1 16 16 ASP HA H 1 4.606 0.030 . 1 . . . . 16 ASP HA . 10087 1 132 . 1 1 16 16 ASP HB2 H 1 2.863 0.030 . 2 . . . . 16 ASP HB2 . 10087 1 133 . 1 1 16 16 ASP HB3 H 1 2.745 0.030 . 2 . . . . 16 ASP HB3 . 10087 1 134 . 1 1 16 16 ASP C C 13 176.726 0.300 . 1 . . . . 16 ASP C . 10087 1 135 . 1 1 16 16 ASP CA C 13 54.046 0.300 . 1 . . . . 16 ASP CA . 10087 1 136 . 1 1 16 16 ASP CB C 13 40.404 0.300 . 1 . . . . 16 ASP CB . 10087 1 137 . 1 1 16 16 ASP N N 15 114.456 0.300 . 1 . . . . 16 ASP N . 10087 1 138 . 1 1 17 17 GLY H H 1 8.229 0.030 . 1 . . . . 17 GLY H . 10087 1 139 . 1 1 17 17 GLY HA2 H 1 4.398 0.030 . 2 . . . . 17 GLY HA2 . 10087 1 140 . 1 1 17 17 GLY HA3 H 1 3.652 0.030 . 2 . . . . 17 GLY HA3 . 10087 1 141 . 1 1 17 17 GLY C C 13 174.765 0.300 . 1 . . . . 17 GLY C . 10087 1 142 . 1 1 17 17 GLY CA C 13 45.216 0.300 . 1 . . . . 17 GLY CA . 10087 1 143 . 1 1 17 17 GLY N N 15 108.972 0.300 . 1 . . . . 17 GLY N . 10087 1 144 . 1 1 18 18 GLY H H 1 8.420 0.030 . 1 . . . . 18 GLY H . 10087 1 145 . 1 1 18 18 GLY HA2 H 1 4.110 0.030 . 2 . . . . 18 GLY HA2 . 10087 1 146 . 1 1 18 18 GLY HA3 H 1 3.855 0.030 . 2 . . . . 18 GLY HA3 . 10087 1 147 . 1 1 18 18 GLY C C 13 172.349 0.300 . 1 . . . . 18 GLY C . 10087 1 148 . 1 1 18 18 GLY CA C 13 44.987 0.300 . 1 . . . . 18 GLY CA . 10087 1 149 . 1 1 18 18 GLY N N 15 110.975 0.300 . 1 . . . . 18 GLY N . 10087 1 150 . 1 1 19 19 SER H H 1 8.137 0.030 . 1 . . . . 19 SER H . 10087 1 151 . 1 1 19 19 SER HA H 1 5.446 0.030 . 1 . . . . 19 SER HA . 10087 1 152 . 1 1 19 19 SER HB2 H 1 3.605 0.030 . 2 . . . . 19 SER HB2 . 10087 1 153 . 1 1 19 19 SER HB3 H 1 3.556 0.030 . 2 . . . . 19 SER HB3 . 10087 1 154 . 1 1 19 19 SER C C 13 173.360 0.300 . 1 . . . . 19 SER C . 10087 1 155 . 1 1 19 19 SER CA C 13 57.244 0.300 . 1 . . . . 19 SER CA . 10087 1 156 . 1 1 19 19 SER CB C 13 65.517 0.300 . 1 . . . . 19 SER CB . 10087 1 157 . 1 1 19 19 SER N N 15 115.044 0.300 . 1 . . . . 19 SER N . 10087 1 158 . 1 1 20 20 TYR H H 1 8.455 0.030 . 1 . . . . 20 TYR H . 10087 1 159 . 1 1 20 20 TYR HA H 1 4.639 0.030 . 1 . . . . 20 TYR HA . 10087 1 160 . 1 1 20 20 TYR HB2 H 1 2.859 0.030 . 2 . . . . 20 TYR HB2 . 10087 1 161 . 1 1 20 20 TYR HB3 H 1 2.786 0.030 . 2 . . . . 20 TYR HB3 . 10087 1 162 . 1 1 20 20 TYR HD1 H 1 7.002 0.030 . 1 . . . . 20 TYR HD1 . 10087 1 163 . 1 1 20 20 TYR HD2 H 1 7.002 0.030 . 1 . . . . 20 TYR HD2 . 10087 1 164 . 1 1 20 20 TYR HE1 H 1 6.713 0.030 . 1 . . . . 20 TYR HE1 . 10087 1 165 . 1 1 20 20 TYR HE2 H 1 6.713 0.030 . 1 . . . . 20 TYR HE2 . 10087 1 166 . 1 1 20 20 TYR C C 13 173.542 0.300 . 1 . . . . 20 TYR C . 10087 1 167 . 1 1 20 20 TYR CA C 13 57.100 0.300 . 1 . . . . 20 TYR CA . 10087 1 168 . 1 1 20 20 TYR CB C 13 42.283 0.300 . 1 . . . . 20 TYR CB . 10087 1 169 . 1 1 20 20 TYR CD1 C 13 133.414 0.300 . 1 . . . . 20 TYR CD1 . 10087 1 170 . 1 1 20 20 TYR CD2 C 13 133.414 0.300 . 1 . . . . 20 TYR CD2 . 10087 1 171 . 1 1 20 20 TYR CE1 C 13 117.778 0.300 . 1 . . . . 20 TYR CE1 . 10087 1 172 . 1 1 20 20 TYR CE2 C 13 117.778 0.300 . 1 . . . . 20 TYR CE2 . 10087 1 173 . 1 1 20 20 TYR N N 15 124.314 0.300 . 1 . . . . 20 TYR N . 10087 1 174 . 1 1 21 21 ALA H H 1 8.189 0.030 . 1 . . . . 21 ALA H . 10087 1 175 . 1 1 21 21 ALA HA H 1 4.871 0.030 . 1 . . . . 21 ALA HA . 10087 1 176 . 1 1 21 21 ALA HB1 H 1 0.983 0.030 . 1 . . . . 21 ALA HB . 10087 1 177 . 1 1 21 21 ALA HB2 H 1 0.983 0.030 . 1 . . . . 21 ALA HB . 10087 1 178 . 1 1 21 21 ALA HB3 H 1 0.983 0.030 . 1 . . . . 21 ALA HB . 10087 1 179 . 1 1 21 21 ALA C C 13 176.706 0.300 . 1 . . . . 21 ALA C . 10087 1 180 . 1 1 21 21 ALA CA C 13 50.899 0.300 . 1 . . . . 21 ALA CA . 10087 1 181 . 1 1 21 21 ALA CB C 13 20.662 0.300 . 1 . . . . 21 ALA CB . 10087 1 182 . 1 1 21 21 ALA N N 15 125.277 0.300 . 1 . . . . 21 ALA N . 10087 1 183 . 1 1 22 22 TYR H H 1 8.950 0.030 . 1 . . . . 22 TYR H . 10087 1 184 . 1 1 22 22 TYR HA H 1 4.451 0.030 . 1 . . . . 22 TYR HA . 10087 1 185 . 1 1 22 22 TYR HB2 H 1 2.619 0.030 . 2 . . . . 22 TYR HB2 . 10087 1 186 . 1 1 22 22 TYR HB3 H 1 2.301 0.030 . 2 . . . . 22 TYR HB3 . 10087 1 187 . 1 1 22 22 TYR HD1 H 1 7.010 0.030 . 1 . . . . 22 TYR HD1 . 10087 1 188 . 1 1 22 22 TYR HD2 H 1 7.010 0.030 . 1 . . . . 22 TYR HD2 . 10087 1 189 . 1 1 22 22 TYR HE1 H 1 6.492 0.030 . 1 . . . . 22 TYR HE1 . 10087 1 190 . 1 1 22 22 TYR HE2 H 1 6.492 0.030 . 1 . . . . 22 TYR HE2 . 10087 1 191 . 1 1 22 22 TYR C C 13 173.613 0.300 . 1 . . . . 22 TYR C . 10087 1 192 . 1 1 22 22 TYR CA C 13 57.776 0.300 . 1 . . . . 22 TYR CA . 10087 1 193 . 1 1 22 22 TYR CB C 13 42.004 0.300 . 1 . . . . 22 TYR CB . 10087 1 194 . 1 1 22 22 TYR CD1 C 13 133.340 0.300 . 1 . . . . 22 TYR CD1 . 10087 1 195 . 1 1 22 22 TYR CD2 C 13 133.340 0.300 . 1 . . . . 22 TYR CD2 . 10087 1 196 . 1 1 22 22 TYR CE1 C 13 118.249 0.300 . 1 . . . . 22 TYR CE1 . 10087 1 197 . 1 1 22 22 TYR CE2 C 13 118.249 0.300 . 1 . . . . 22 TYR CE2 . 10087 1 198 . 1 1 22 22 TYR N N 15 120.457 0.300 . 1 . . . . 22 TYR N . 10087 1 199 . 1 1 23 23 ALA H H 1 8.772 0.030 . 1 . . . . 23 ALA H . 10087 1 200 . 1 1 23 23 ALA HA H 1 5.100 0.030 . 1 . . . . 23 ALA HA . 10087 1 201 . 1 1 23 23 ALA HB1 H 1 1.277 0.030 . 1 . . . . 23 ALA HB . 10087 1 202 . 1 1 23 23 ALA HB2 H 1 1.277 0.030 . 1 . . . . 23 ALA HB . 10087 1 203 . 1 1 23 23 ALA HB3 H 1 1.277 0.030 . 1 . . . . 23 ALA HB . 10087 1 204 . 1 1 23 23 ALA C C 13 177.221 0.300 . 1 . . . . 23 ALA C . 10087 1 205 . 1 1 23 23 ALA CA C 13 50.680 0.300 . 1 . . . . 23 ALA CA . 10087 1 206 . 1 1 23 23 ALA CB C 13 19.430 0.300 . 1 . . . . 23 ALA CB . 10087 1 207 . 1 1 23 23 ALA N N 15 125.907 0.300 . 1 . . . . 23 ALA N . 10087 1 208 . 1 1 24 24 ILE H H 1 8.970 0.030 . 1 . . . . 24 ILE H . 10087 1 209 . 1 1 24 24 ILE HA H 1 4.560 0.030 . 1 . . . . 24 ILE HA . 10087 1 210 . 1 1 24 24 ILE HB H 1 1.639 0.030 . 1 . . . . 24 ILE HB . 10087 1 211 . 1 1 24 24 ILE HG12 H 1 1.215 0.030 . 2 . . . . 24 ILE HG12 . 10087 1 212 . 1 1 24 24 ILE HG13 H 1 1.390 0.030 . 2 . . . . 24 ILE HG13 . 10087 1 213 . 1 1 24 24 ILE HG21 H 1 0.641 0.030 . 1 . . . . 24 ILE HG2 . 10087 1 214 . 1 1 24 24 ILE HG22 H 1 0.641 0.030 . 1 . . . . 24 ILE HG2 . 10087 1 215 . 1 1 24 24 ILE HG23 H 1 0.641 0.030 . 1 . . . . 24 ILE HG2 . 10087 1 216 . 1 1 24 24 ILE HD11 H 1 0.702 0.030 . 1 . . . . 24 ILE HD1 . 10087 1 217 . 1 1 24 24 ILE HD12 H 1 0.702 0.030 . 1 . . . . 24 ILE HD1 . 10087 1 218 . 1 1 24 24 ILE HD13 H 1 0.702 0.030 . 1 . . . . 24 ILE HD1 . 10087 1 219 . 1 1 24 24 ILE C C 13 173.198 0.300 . 1 . . . . 24 ILE C . 10087 1 220 . 1 1 24 24 ILE CA C 13 58.950 0.300 . 1 . . . . 24 ILE CA . 10087 1 221 . 1 1 24 24 ILE CB C 13 41.978 0.300 . 1 . . . . 24 ILE CB . 10087 1 222 . 1 1 24 24 ILE CG1 C 13 27.560 0.300 . 1 . . . . 24 ILE CG1 . 10087 1 223 . 1 1 24 24 ILE CG2 C 13 16.847 0.300 . 1 . . . . 24 ILE CG2 . 10087 1 224 . 1 1 24 24 ILE CD1 C 13 14.859 0.300 . 1 . . . . 24 ILE CD1 . 10087 1 225 . 1 1 24 24 ILE N N 15 121.782 0.300 . 1 . . . . 24 ILE N . 10087 1 226 . 1 1 25 25 ASN H H 1 8.509 0.030 . 1 . . . . 25 ASN H . 10087 1 227 . 1 1 25 25 ASN HA H 1 4.862 0.030 . 1 . . . . 25 ASN HA . 10087 1 228 . 1 1 25 25 ASN HB2 H 1 2.823 0.030 . 2 . . . . 25 ASN HB2 . 10087 1 229 . 1 1 25 25 ASN HB3 H 1 2.794 0.030 . 2 . . . . 25 ASN HB3 . 10087 1 230 . 1 1 25 25 ASN HD21 H 1 7.755 0.030 . 2 . . . . 25 ASN HD21 . 10087 1 231 . 1 1 25 25 ASN HD22 H 1 7.079 0.030 . 2 . . . . 25 ASN HD22 . 10087 1 232 . 1 1 25 25 ASN C C 13 175.508 0.300 . 1 . . . . 25 ASN C . 10087 1 233 . 1 1 25 25 ASN CA C 13 51.484 0.300 . 1 . . . . 25 ASN CA . 10087 1 234 . 1 1 25 25 ASN CB C 13 38.963 0.300 . 1 . . . . 25 ASN CB . 10087 1 235 . 1 1 25 25 ASN N N 15 125.255 0.300 . 1 . . . . 25 ASN N . 10087 1 236 . 1 1 25 25 ASN ND2 N 15 113.925 0.300 . 1 . . . . 25 ASN ND2 . 10087 1 237 . 1 1 26 26 PRO HA H 1 4.143 0.030 . 1 . . . . 26 PRO HA . 10087 1 238 . 1 1 26 26 PRO HB2 H 1 2.157 0.030 . 2 . . . . 26 PRO HB2 . 10087 1 239 . 1 1 26 26 PRO HB3 H 1 1.981 0.030 . 2 . . . . 26 PRO HB3 . 10087 1 240 . 1 1 26 26 PRO HG2 H 1 1.985 0.030 . 1 . . . . 26 PRO HG2 . 10087 1 241 . 1 1 26 26 PRO HG3 H 1 1.985 0.030 . 1 . . . . 26 PRO HG3 . 10087 1 242 . 1 1 26 26 PRO HD2 H 1 3.873 0.030 . 2 . . . . 26 PRO HD2 . 10087 1 243 . 1 1 26 26 PRO HD3 H 1 3.702 0.030 . 2 . . . . 26 PRO HD3 . 10087 1 244 . 1 1 26 26 PRO C C 13 175.862 0.300 . 1 . . . . 26 PRO C . 10087 1 245 . 1 1 26 26 PRO CA C 13 64.675 0.300 . 1 . . . . 26 PRO CA . 10087 1 246 . 1 1 26 26 PRO CB C 13 31.832 0.300 . 1 . . . . 26 PRO CB . 10087 1 247 . 1 1 26 26 PRO CG C 13 27.340 0.300 . 1 . . . . 26 PRO CG . 10087 1 248 . 1 1 26 26 PRO CD C 13 51.135 0.300 . 1 . . . . 26 PRO CD . 10087 1 249 . 1 1 27 27 ASN H H 1 8.526 0.030 . 1 . . . . 27 ASN H . 10087 1 250 . 1 1 27 27 ASN HA H 1 4.747 0.030 . 1 . . . . 27 ASN HA . 10087 1 251 . 1 1 27 27 ASN HB2 H 1 2.808 0.030 . 2 . . . . 27 ASN HB2 . 10087 1 252 . 1 1 27 27 ASN HB3 H 1 2.636 0.030 . 2 . . . . 27 ASN HB3 . 10087 1 253 . 1 1 27 27 ASN HD21 H 1 7.586 0.030 . 2 . . . . 27 ASN HD21 . 10087 1 254 . 1 1 27 27 ASN HD22 H 1 6.945 0.030 . 2 . . . . 27 ASN HD22 . 10087 1 255 . 1 1 27 27 ASN C C 13 175.311 0.300 . 1 . . . . 27 ASN C . 10087 1 256 . 1 1 27 27 ASN CA C 13 52.988 0.300 . 1 . . . . 27 ASN CA . 10087 1 257 . 1 1 27 27 ASN CB C 13 38.442 0.300 . 1 . . . . 27 ASN CB . 10087 1 258 . 1 1 27 27 ASN N N 15 115.181 0.300 . 1 . . . . 27 ASN N . 10087 1 259 . 1 1 27 27 ASN ND2 N 15 113.635 0.300 . 1 . . . . 27 ASN ND2 . 10087 1 260 . 1 1 28 28 SER H H 1 7.688 0.030 . 1 . . . . 28 SER H . 10087 1 261 . 1 1 28 28 SER HA H 1 4.192 0.030 . 1 . . . . 28 SER HA . 10087 1 262 . 1 1 28 28 SER HB2 H 1 3.929 0.030 . 2 . . . . 28 SER HB2 . 10087 1 263 . 1 1 28 28 SER HB3 H 1 3.893 0.030 . 2 . . . . 28 SER HB3 . 10087 1 264 . 1 1 28 28 SER C C 13 173.467 0.300 . 1 . . . . 28 SER C . 10087 1 265 . 1 1 28 28 SER CA C 13 58.870 0.300 . 1 . . . . 28 SER CA . 10087 1 266 . 1 1 28 28 SER CB C 13 64.539 0.300 . 1 . . . . 28 SER CB . 10087 1 267 . 1 1 28 28 SER N N 15 115.319 0.300 . 1 . . . . 28 SER N . 10087 1 268 . 1 1 29 29 PHE H H 1 8.427 0.030 . 1 . . . . 29 PHE H . 10087 1 269 . 1 1 29 29 PHE HA H 1 4.998 0.030 . 1 . . . . 29 PHE HA . 10087 1 270 . 1 1 29 29 PHE HB2 H 1 3.615 0.030 . 2 . . . . 29 PHE HB2 . 10087 1 271 . 1 1 29 29 PHE HB3 H 1 2.946 0.030 . 2 . . . . 29 PHE HB3 . 10087 1 272 . 1 1 29 29 PHE HD1 H 1 7.183 0.030 . 1 . . . . 29 PHE HD1 . 10087 1 273 . 1 1 29 29 PHE HD2 H 1 7.183 0.030 . 1 . . . . 29 PHE HD2 . 10087 1 274 . 1 1 29 29 PHE HE1 H 1 7.459 0.030 . 1 . . . . 29 PHE HE1 . 10087 1 275 . 1 1 29 29 PHE HE2 H 1 7.459 0.030 . 1 . . . . 29 PHE HE2 . 10087 1 276 . 1 1 29 29 PHE HZ H 1 7.396 0.030 . 1 . . . . 29 PHE HZ . 10087 1 277 . 1 1 29 29 PHE C C 13 178.896 0.300 . 1 . . . . 29 PHE C . 10087 1 278 . 1 1 29 29 PHE CA C 13 57.137 0.300 . 1 . . . . 29 PHE CA . 10087 1 279 . 1 1 29 29 PHE CB C 13 39.306 0.300 . 1 . . . . 29 PHE CB . 10087 1 280 . 1 1 29 29 PHE CD1 C 13 131.088 0.300 . 1 . . . . 29 PHE CD1 . 10087 1 281 . 1 1 29 29 PHE CD2 C 13 131.088 0.300 . 1 . . . . 29 PHE CD2 . 10087 1 282 . 1 1 29 29 PHE CE1 C 13 131.768 0.300 . 1 . . . . 29 PHE CE1 . 10087 1 283 . 1 1 29 29 PHE CE2 C 13 131.768 0.300 . 1 . . . . 29 PHE CE2 . 10087 1 284 . 1 1 29 29 PHE CZ C 13 129.961 0.300 . 1 . . . . 29 PHE CZ . 10087 1 285 . 1 1 29 29 PHE N N 15 119.599 0.300 . 1 . . . . 29 PHE N . 10087 1 286 . 1 1 30 30 ILE H H 1 8.821 0.030 . 1 . . . . 30 ILE H . 10087 1 287 . 1 1 30 30 ILE HA H 1 3.596 0.030 . 1 . . . . 30 ILE HA . 10087 1 288 . 1 1 30 30 ILE HB H 1 2.549 0.030 . 1 . . . . 30 ILE HB . 10087 1 289 . 1 1 30 30 ILE HG12 H 1 1.730 0.030 . 2 . . . . 30 ILE HG12 . 10087 1 290 . 1 1 30 30 ILE HG13 H 1 1.378 0.030 . 2 . . . . 30 ILE HG13 . 10087 1 291 . 1 1 30 30 ILE HG21 H 1 0.602 0.030 . 1 . . . . 30 ILE HG2 . 10087 1 292 . 1 1 30 30 ILE HG22 H 1 0.602 0.030 . 1 . . . . 30 ILE HG2 . 10087 1 293 . 1 1 30 30 ILE HG23 H 1 0.602 0.030 . 1 . . . . 30 ILE HG2 . 10087 1 294 . 1 1 30 30 ILE HD11 H 1 0.592 0.030 . 1 . . . . 30 ILE HD1 . 10087 1 295 . 1 1 30 30 ILE HD12 H 1 0.592 0.030 . 1 . . . . 30 ILE HD1 . 10087 1 296 . 1 1 30 30 ILE HD13 H 1 0.592 0.030 . 1 . . . . 30 ILE HD1 . 10087 1 297 . 1 1 30 30 ILE C C 13 178.610 0.300 . 1 . . . . 30 ILE C . 10087 1 298 . 1 1 30 30 ILE CA C 13 62.834 0.300 . 1 . . . . 30 ILE CA . 10087 1 299 . 1 1 30 30 ILE CB C 13 34.842 0.300 . 1 . . . . 30 ILE CB . 10087 1 300 . 1 1 30 30 ILE CG1 C 13 28.026 0.300 . 1 . . . . 30 ILE CG1 . 10087 1 301 . 1 1 30 30 ILE CG2 C 13 17.601 0.300 . 1 . . . . 30 ILE CG2 . 10087 1 302 . 1 1 30 30 ILE CD1 C 13 10.744 0.300 . 1 . . . . 30 ILE CD1 . 10087 1 303 . 1 1 30 30 ILE N N 15 125.277 0.300 . 1 . . . . 30 ILE N . 10087 1 304 . 1 1 31 31 LEU H H 1 8.572 0.030 . 1 . . . . 31 LEU H . 10087 1 305 . 1 1 31 31 LEU HA H 1 3.789 0.030 . 1 . . . . 31 LEU HA . 10087 1 306 . 1 1 31 31 LEU HB2 H 1 1.622 0.030 . 2 . . . . 31 LEU HB2 . 10087 1 307 . 1 1 31 31 LEU HB3 H 1 1.354 0.030 . 2 . . . . 31 LEU HB3 . 10087 1 308 . 1 1 31 31 LEU HG H 1 1.633 0.030 . 1 . . . . 31 LEU HG . 10087 1 309 . 1 1 31 31 LEU HD11 H 1 0.793 0.030 . 1 . . . . 31 LEU HD1 . 10087 1 310 . 1 1 31 31 LEU HD12 H 1 0.793 0.030 . 1 . . . . 31 LEU HD1 . 10087 1 311 . 1 1 31 31 LEU HD13 H 1 0.793 0.030 . 1 . . . . 31 LEU HD1 . 10087 1 312 . 1 1 31 31 LEU HD21 H 1 0.803 0.030 . 1 . . . . 31 LEU HD2 . 10087 1 313 . 1 1 31 31 LEU HD22 H 1 0.803 0.030 . 1 . . . . 31 LEU HD2 . 10087 1 314 . 1 1 31 31 LEU HD23 H 1 0.803 0.030 . 1 . . . . 31 LEU HD2 . 10087 1 315 . 1 1 31 31 LEU C C 13 177.656 0.300 . 1 . . . . 31 LEU C . 10087 1 316 . 1 1 31 31 LEU CA C 13 58.064 0.300 . 1 . . . . 31 LEU CA . 10087 1 317 . 1 1 31 31 LEU CB C 13 42.258 0.300 . 1 . . . . 31 LEU CB . 10087 1 318 . 1 1 31 31 LEU CG C 13 26.379 0.300 . 1 . . . . 31 LEU CG . 10087 1 319 . 1 1 31 31 LEU CD1 C 13 25.626 0.300 . 2 . . . . 31 LEU CD1 . 10087 1 320 . 1 1 31 31 LEU CD2 C 13 23.431 0.300 . 2 . . . . 31 LEU CD2 . 10087 1 321 . 1 1 31 31 LEU N N 15 119.812 0.300 . 1 . . . . 31 LEU N . 10087 1 322 . 1 1 32 32 GLY H H 1 7.529 0.030 . 1 . . . . 32 GLY H . 10087 1 323 . 1 1 32 32 GLY HA2 H 1 3.941 0.030 . 1 . . . . 32 GLY HA2 . 10087 1 324 . 1 1 32 32 GLY HA3 H 1 3.941 0.030 . 1 . . . . 32 GLY HA3 . 10087 1 325 . 1 1 32 32 GLY C C 13 176.928 0.300 . 1 . . . . 32 GLY C . 10087 1 326 . 1 1 32 32 GLY CA C 13 46.756 0.300 . 1 . . . . 32 GLY CA . 10087 1 327 . 1 1 32 32 GLY N N 15 103.817 0.300 . 1 . . . . 32 GLY N . 10087 1 328 . 1 1 33 33 LEU H H 1 7.220 0.030 . 1 . . . . 33 LEU H . 10087 1 329 . 1 1 33 33 LEU HA H 1 4.118 0.030 . 1 . . . . 33 LEU HA . 10087 1 330 . 1 1 33 33 LEU HB2 H 1 1.892 0.030 . 2 . . . . 33 LEU HB2 . 10087 1 331 . 1 1 33 33 LEU HB3 H 1 1.223 0.030 . 2 . . . . 33 LEU HB3 . 10087 1 332 . 1 1 33 33 LEU HG H 1 1.221 0.030 . 1 . . . . 33 LEU HG . 10087 1 333 . 1 1 33 33 LEU HD11 H 1 0.412 0.030 . 1 . . . . 33 LEU HD1 . 10087 1 334 . 1 1 33 33 LEU HD12 H 1 0.412 0.030 . 1 . . . . 33 LEU HD1 . 10087 1 335 . 1 1 33 33 LEU HD13 H 1 0.412 0.030 . 1 . . . . 33 LEU HD1 . 10087 1 336 . 1 1 33 33 LEU HD21 H 1 0.535 0.030 . 1 . . . . 33 LEU HD2 . 10087 1 337 . 1 1 33 33 LEU HD22 H 1 0.535 0.030 . 1 . . . . 33 LEU HD2 . 10087 1 338 . 1 1 33 33 LEU HD23 H 1 0.535 0.030 . 1 . . . . 33 LEU HD2 . 10087 1 339 . 1 1 33 33 LEU C C 13 177.990 0.300 . 1 . . . . 33 LEU C . 10087 1 340 . 1 1 33 33 LEU CA C 13 57.378 0.300 . 1 . . . . 33 LEU CA . 10087 1 341 . 1 1 33 33 LEU CB C 13 40.782 0.300 . 1 . . . . 33 LEU CB . 10087 1 342 . 1 1 33 33 LEU CG C 13 26.905 0.300 . 1 . . . . 33 LEU CG . 10087 1 343 . 1 1 33 33 LEU CD1 C 13 21.991 0.300 . 2 . . . . 33 LEU CD1 . 10087 1 344 . 1 1 33 33 LEU CD2 C 13 27.237 0.300 . 2 . . . . 33 LEU CD2 . 10087 1 345 . 1 1 33 33 LEU N N 15 124.018 0.300 . 1 . . . . 33 LEU N . 10087 1 346 . 1 1 34 34 LYS H H 1 7.901 0.030 . 1 . . . . 34 LYS H . 10087 1 347 . 1 1 34 34 LYS HA H 1 4.556 0.030 . 1 . . . . 34 LYS HA . 10087 1 348 . 1 1 34 34 LYS HB2 H 1 1.889 0.030 . 2 . . . . 34 LYS HB2 . 10087 1 349 . 1 1 34 34 LYS HB3 H 1 1.431 0.030 . 2 . . . . 34 LYS HB3 . 10087 1 350 . 1 1 34 34 LYS HG2 H 1 1.410 0.030 . 2 . . . . 34 LYS HG2 . 10087 1 351 . 1 1 34 34 LYS HG3 H 1 1.269 0.030 . 2 . . . . 34 LYS HG3 . 10087 1 352 . 1 1 34 34 LYS HD2 H 1 1.635 0.030 . 2 . . . . 34 LYS HD2 . 10087 1 353 . 1 1 34 34 LYS HD3 H 1 1.505 0.030 . 2 . . . . 34 LYS HD3 . 10087 1 354 . 1 1 34 34 LYS HE2 H 1 2.468 0.030 . 2 . . . . 34 LYS HE2 . 10087 1 355 . 1 1 34 34 LYS HE3 H 1 2.379 0.030 . 2 . . . . 34 LYS HE3 . 10087 1 356 . 1 1 34 34 LYS C C 13 180.102 0.300 . 1 . . . . 34 LYS C . 10087 1 357 . 1 1 34 34 LYS CA C 13 59.374 0.300 . 1 . . . . 34 LYS CA . 10087 1 358 . 1 1 34 34 LYS CB C 13 32.997 0.300 . 1 . . . . 34 LYS CB . 10087 1 359 . 1 1 34 34 LYS CG C 13 26.687 0.300 . 1 . . . . 34 LYS CG . 10087 1 360 . 1 1 34 34 LYS CD C 13 30.201 0.300 . 1 . . . . 34 LYS CD . 10087 1 361 . 1 1 34 34 LYS CE C 13 42.565 0.300 . 1 . . . . 34 LYS CE . 10087 1 362 . 1 1 34 34 LYS N N 15 117.519 0.300 . 1 . . . . 34 LYS N . 10087 1 363 . 1 1 35 35 GLN H H 1 8.447 0.030 . 1 . . . . 35 GLN H . 10087 1 364 . 1 1 35 35 GLN HA H 1 3.744 0.030 . 1 . . . . 35 GLN HA . 10087 1 365 . 1 1 35 35 GLN HB2 H 1 2.325 0.030 . 2 . . . . 35 GLN HB2 . 10087 1 366 . 1 1 35 35 GLN HB3 H 1 2.198 0.030 . 2 . . . . 35 GLN HB3 . 10087 1 367 . 1 1 35 35 GLN HG2 H 1 2.403 0.030 . 2 . . . . 35 GLN HG2 . 10087 1 368 . 1 1 35 35 GLN HG3 H 1 2.303 0.030 . 2 . . . . 35 GLN HG3 . 10087 1 369 . 1 1 35 35 GLN HE21 H 1 7.972 0.030 . 2 . . . . 35 GLN HE21 . 10087 1 370 . 1 1 35 35 GLN HE22 H 1 7.096 0.030 . 2 . . . . 35 GLN HE22 . 10087 1 371 . 1 1 35 35 GLN C C 13 177.090 0.300 . 1 . . . . 35 GLN C . 10087 1 372 . 1 1 35 35 GLN CA C 13 58.480 0.300 . 1 . . . . 35 GLN CA . 10087 1 373 . 1 1 35 35 GLN CB C 13 28.411 0.300 . 1 . . . . 35 GLN CB . 10087 1 374 . 1 1 35 35 GLN CG C 13 33.481 0.300 . 1 . . . . 35 GLN CG . 10087 1 375 . 1 1 35 35 GLN N N 15 119.674 0.300 . 1 . . . . 35 GLN N . 10087 1 376 . 1 1 35 35 GLN NE2 N 15 119.388 0.300 . 1 . . . . 35 GLN NE2 . 10087 1 377 . 1 1 36 36 GLN H H 1 7.426 0.030 . 1 . . . . 36 GLN H . 10087 1 378 . 1 1 36 36 GLN HA H 1 4.262 0.030 . 1 . . . . 36 GLN HA . 10087 1 379 . 1 1 36 36 GLN HB2 H 1 2.394 0.030 . 2 . . . . 36 GLN HB2 . 10087 1 380 . 1 1 36 36 GLN HB3 H 1 2.108 0.030 . 2 . . . . 36 GLN HB3 . 10087 1 381 . 1 1 36 36 GLN HG2 H 1 2.709 0.030 . 2 . . . . 36 GLN HG2 . 10087 1 382 . 1 1 36 36 GLN HG3 H 1 2.416 0.030 . 2 . . . . 36 GLN HG3 . 10087 1 383 . 1 1 36 36 GLN HE21 H 1 7.361 0.030 . 2 . . . . 36 GLN HE21 . 10087 1 384 . 1 1 36 36 GLN HE22 H 1 7.126 0.030 . 2 . . . . 36 GLN HE22 . 10087 1 385 . 1 1 36 36 GLN C C 13 179.102 0.300 . 1 . . . . 36 GLN C . 10087 1 386 . 1 1 36 36 GLN CA C 13 60.467 0.300 . 1 . . . . 36 GLN CA . 10087 1 387 . 1 1 36 36 GLN CB C 13 29.628 0.300 . 1 . . . . 36 GLN CB . 10087 1 388 . 1 1 36 36 GLN CG C 13 35.375 0.300 . 1 . . . . 36 GLN CG . 10087 1 389 . 1 1 36 36 GLN N N 15 118.728 0.300 . 1 . . . . 36 GLN N . 10087 1 390 . 1 1 36 36 GLN NE2 N 15 109.616 0.300 . 1 . . . . 36 GLN NE2 . 10087 1 391 . 1 1 37 37 ILE H H 1 8.081 0.030 . 1 . . . . 37 ILE H . 10087 1 392 . 1 1 37 37 ILE HA H 1 3.889 0.030 . 1 . . . . 37 ILE HA . 10087 1 393 . 1 1 37 37 ILE HB H 1 1.966 0.030 . 1 . . . . 37 ILE HB . 10087 1 394 . 1 1 37 37 ILE HG12 H 1 0.530 0.030 . 2 . . . . 37 ILE HG12 . 10087 1 395 . 1 1 37 37 ILE HG13 H 1 1.096 0.030 . 2 . . . . 37 ILE HG13 . 10087 1 396 . 1 1 37 37 ILE HG21 H 1 0.658 0.030 . 1 . . . . 37 ILE HG2 . 10087 1 397 . 1 1 37 37 ILE HG22 H 1 0.658 0.030 . 1 . . . . 37 ILE HG2 . 10087 1 398 . 1 1 37 37 ILE HG23 H 1 0.658 0.030 . 1 . . . . 37 ILE HG2 . 10087 1 399 . 1 1 37 37 ILE HD11 H 1 0.602 0.030 . 1 . . . . 37 ILE HD1 . 10087 1 400 . 1 1 37 37 ILE HD12 H 1 0.602 0.030 . 1 . . . . 37 ILE HD1 . 10087 1 401 . 1 1 37 37 ILE HD13 H 1 0.602 0.030 . 1 . . . . 37 ILE HD1 . 10087 1 402 . 1 1 37 37 ILE C C 13 178.819 0.300 . 1 . . . . 37 ILE C . 10087 1 403 . 1 1 37 37 ILE CA C 13 64.865 0.300 . 1 . . . . 37 ILE CA . 10087 1 404 . 1 1 37 37 ILE CB C 13 37.419 0.300 . 1 . . . . 37 ILE CB . 10087 1 405 . 1 1 37 37 ILE CG1 C 13 28.486 0.300 . 1 . . . . 37 ILE CG1 . 10087 1 406 . 1 1 37 37 ILE CG2 C 13 17.214 0.300 . 1 . . . . 37 ILE CG2 . 10087 1 407 . 1 1 37 37 ILE CD1 C 13 15.544 0.300 . 1 . . . . 37 ILE CD1 . 10087 1 408 . 1 1 37 37 ILE N N 15 121.507 0.300 . 1 . . . . 37 ILE N . 10087 1 409 . 1 1 38 38 GLU H H 1 8.500 0.030 . 1 . . . . 38 GLU H . 10087 1 410 . 1 1 38 38 GLU HA H 1 3.828 0.030 . 1 . . . . 38 GLU HA . 10087 1 411 . 1 1 38 38 GLU HB2 H 1 2.120 0.030 . 2 . . . . 38 GLU HB2 . 10087 1 412 . 1 1 38 38 GLU HB3 H 1 1.974 0.030 . 2 . . . . 38 GLU HB3 . 10087 1 413 . 1 1 38 38 GLU HG2 H 1 1.967 0.030 . 2 . . . . 38 GLU HG2 . 10087 1 414 . 1 1 38 38 GLU HG3 H 1 1.928 0.030 . 2 . . . . 38 GLU HG3 . 10087 1 415 . 1 1 38 38 GLU C C 13 179.618 0.300 . 1 . . . . 38 GLU C . 10087 1 416 . 1 1 38 38 GLU CA C 13 59.963 0.300 . 1 . . . . 38 GLU CA . 10087 1 417 . 1 1 38 38 GLU CB C 13 29.642 0.300 . 1 . . . . 38 GLU CB . 10087 1 418 . 1 1 38 38 GLU CG C 13 36.705 0.300 . 1 . . . . 38 GLU CG . 10087 1 419 . 1 1 38 38 GLU N N 15 123.707 0.300 . 1 . . . . 38 GLU N . 10087 1 420 . 1 1 39 39 ASP H H 1 8.532 0.030 . 1 . . . . 39 ASP H . 10087 1 421 . 1 1 39 39 ASP HA H 1 4.319 0.030 . 1 . . . . 39 ASP HA . 10087 1 422 . 1 1 39 39 ASP HB2 H 1 2.887 0.030 . 2 . . . . 39 ASP HB2 . 10087 1 423 . 1 1 39 39 ASP HB3 H 1 2.722 0.030 . 2 . . . . 39 ASP HB3 . 10087 1 424 . 1 1 39 39 ASP C C 13 177.818 0.300 . 1 . . . . 39 ASP C . 10087 1 425 . 1 1 39 39 ASP CA C 13 57.449 0.300 . 1 . . . . 39 ASP CA . 10087 1 426 . 1 1 39 39 ASP CB C 13 40.567 0.300 . 1 . . . . 39 ASP CB . 10087 1 427 . 1 1 39 39 ASP N N 15 119.655 0.300 . 1 . . . . 39 ASP N . 10087 1 428 . 1 1 40 40 GLN H H 1 8.234 0.030 . 1 . . . . 40 GLN H . 10087 1 429 . 1 1 40 40 GLN HA H 1 4.329 0.030 . 1 . . . . 40 GLN HA . 10087 1 430 . 1 1 40 40 GLN HB2 H 1 2.292 0.030 . 1 . . . . 40 GLN HB2 . 10087 1 431 . 1 1 40 40 GLN HB3 H 1 2.292 0.030 . 1 . . . . 40 GLN HB3 . 10087 1 432 . 1 1 40 40 GLN HG2 H 1 2.424 0.030 . 2 . . . . 40 GLN HG2 . 10087 1 433 . 1 1 40 40 GLN HG3 H 1 2.310 0.030 . 2 . . . . 40 GLN HG3 . 10087 1 434 . 1 1 40 40 GLN HE21 H 1 7.457 0.030 . 2 . . . . 40 GLN HE21 . 10087 1 435 . 1 1 40 40 GLN HE22 H 1 6.678 0.030 . 2 . . . . 40 GLN HE22 . 10087 1 436 . 1 1 40 40 GLN C C 13 177.332 0.300 . 1 . . . . 40 GLN C . 10087 1 437 . 1 1 40 40 GLN CA C 13 57.988 0.300 . 1 . . . . 40 GLN CA . 10087 1 438 . 1 1 40 40 GLN CB C 13 30.089 0.300 . 1 . . . . 40 GLN CB . 10087 1 439 . 1 1 40 40 GLN CG C 13 34.146 0.300 . 1 . . . . 40 GLN CG . 10087 1 440 . 1 1 40 40 GLN N N 15 116.362 0.300 . 1 . . . . 40 GLN N . 10087 1 441 . 1 1 40 40 GLN NE2 N 15 112.083 0.300 . 1 . . . . 40 GLN NE2 . 10087 1 442 . 1 1 41 41 GLN H H 1 8.946 0.030 . 1 . . . . 41 GLN H . 10087 1 443 . 1 1 41 41 GLN HA H 1 4.452 0.030 . 1 . . . . 41 GLN HA . 10087 1 444 . 1 1 41 41 GLN HB2 H 1 2.182 0.030 . 2 . . . . 41 GLN HB2 . 10087 1 445 . 1 1 41 41 GLN HB3 H 1 1.925 0.030 . 2 . . . . 41 GLN HB3 . 10087 1 446 . 1 1 41 41 GLN HG2 H 1 2.047 0.030 . 1 . . . . 41 GLN HG2 . 10087 1 447 . 1 1 41 41 GLN HG3 H 1 2.047 0.030 . 1 . . . . 41 GLN HG3 . 10087 1 448 . 1 1 41 41 GLN HE21 H 1 7.216 0.030 . 2 . . . . 41 GLN HE21 . 10087 1 449 . 1 1 41 41 GLN HE22 H 1 6.148 0.030 . 2 . . . . 41 GLN HE22 . 10087 1 450 . 1 1 41 41 GLN C C 13 177.505 0.300 . 1 . . . . 41 GLN C . 10087 1 451 . 1 1 41 41 GLN CA C 13 55.865 0.300 . 1 . . . . 41 GLN CA . 10087 1 452 . 1 1 41 41 GLN CB C 13 30.412 0.300 . 1 . . . . 41 GLN CB . 10087 1 453 . 1 1 41 41 GLN CG C 13 34.474 0.300 . 1 . . . . 41 GLN CG . 10087 1 454 . 1 1 41 41 GLN N N 15 114.602 0.300 . 1 . . . . 41 GLN N . 10087 1 455 . 1 1 41 41 GLN NE2 N 15 109.571 0.300 . 1 . . . . 41 GLN NE2 . 10087 1 456 . 1 1 42 42 GLY H H 1 7.902 0.030 . 1 . . . . 42 GLY H . 10087 1 457 . 1 1 42 42 GLY HA2 H 1 4.085 0.030 . 2 . . . . 42 GLY HA2 . 10087 1 458 . 1 1 42 42 GLY HA3 H 1 3.889 0.030 . 2 . . . . 42 GLY HA3 . 10087 1 459 . 1 1 42 42 GLY C C 13 173.572 0.300 . 1 . . . . 42 GLY C . 10087 1 460 . 1 1 42 42 GLY CA C 13 46.175 0.300 . 1 . . . . 42 GLY CA . 10087 1 461 . 1 1 42 42 GLY N N 15 108.616 0.300 . 1 . . . . 42 GLY N . 10087 1 462 . 1 1 43 43 LEU H H 1 6.217 0.030 . 1 . . . . 43 LEU H . 10087 1 463 . 1 1 43 43 LEU HA H 1 4.704 0.030 . 1 . . . . 43 LEU HA . 10087 1 464 . 1 1 43 43 LEU HB2 H 1 1.417 0.030 . 2 . . . . 43 LEU HB2 . 10087 1 465 . 1 1 43 43 LEU HB3 H 1 1.323 0.030 . 2 . . . . 43 LEU HB3 . 10087 1 466 . 1 1 43 43 LEU HG H 1 1.427 0.030 . 1 . . . . 43 LEU HG . 10087 1 467 . 1 1 43 43 LEU HD11 H 1 0.761 0.030 . 1 . . . . 43 LEU HD1 . 10087 1 468 . 1 1 43 43 LEU HD12 H 1 0.761 0.030 . 1 . . . . 43 LEU HD1 . 10087 1 469 . 1 1 43 43 LEU HD13 H 1 0.761 0.030 . 1 . . . . 43 LEU HD1 . 10087 1 470 . 1 1 43 43 LEU HD21 H 1 0.838 0.030 . 1 . . . . 43 LEU HD2 . 10087 1 471 . 1 1 43 43 LEU HD22 H 1 0.838 0.030 . 1 . . . . 43 LEU HD2 . 10087 1 472 . 1 1 43 43 LEU HD23 H 1 0.838 0.030 . 1 . . . . 43 LEU HD2 . 10087 1 473 . 1 1 43 43 LEU C C 13 173.023 0.300 . 1 . . . . 43 LEU C . 10087 1 474 . 1 1 43 43 LEU CA C 13 51.552 0.300 . 1 . . . . 43 LEU CA . 10087 1 475 . 1 1 43 43 LEU CB C 13 43.149 0.300 . 1 . . . . 43 LEU CB . 10087 1 476 . 1 1 43 43 LEU CG C 13 26.658 0.300 . 1 . . . . 43 LEU CG . 10087 1 477 . 1 1 43 43 LEU CD1 C 13 25.783 0.300 . 2 . . . . 43 LEU CD1 . 10087 1 478 . 1 1 43 43 LEU CD2 C 13 24.570 0.300 . 2 . . . . 43 LEU CD2 . 10087 1 479 . 1 1 43 43 LEU N N 15 122.028 0.300 . 1 . . . . 43 LEU N . 10087 1 480 . 1 1 44 44 PRO HA H 1 4.300 0.030 . 1 . . . . 44 PRO HA . 10087 1 481 . 1 1 44 44 PRO HB2 H 1 2.431 0.030 . 2 . . . . 44 PRO HB2 . 10087 1 482 . 1 1 44 44 PRO HB3 H 1 1.674 0.030 . 2 . . . . 44 PRO HB3 . 10087 1 483 . 1 1 44 44 PRO HG2 H 1 2.057 0.030 . 2 . . . . 44 PRO HG2 . 10087 1 484 . 1 1 44 44 PRO HG3 H 1 1.956 0.030 . 2 . . . . 44 PRO HG3 . 10087 1 485 . 1 1 44 44 PRO HD2 H 1 4.300 0.030 . 2 . . . . 44 PRO HD2 . 10087 1 486 . 1 1 44 44 PRO HD3 H 1 3.528 0.030 . 2 . . . . 44 PRO HD3 . 10087 1 487 . 1 1 44 44 PRO C C 13 178.896 0.300 . 1 . . . . 44 PRO C . 10087 1 488 . 1 1 44 44 PRO CA C 13 63.100 0.300 . 1 . . . . 44 PRO CA . 10087 1 489 . 1 1 44 44 PRO CB C 13 32.855 0.300 . 1 . . . . 44 PRO CB . 10087 1 490 . 1 1 44 44 PRO CG C 13 28.047 0.300 . 1 . . . . 44 PRO CG . 10087 1 491 . 1 1 44 44 PRO CD C 13 51.043 0.300 . 1 . . . . 44 PRO CD . 10087 1 492 . 1 1 45 45 LYS H H 1 8.943 0.030 . 1 . . . . 45 LYS H . 10087 1 493 . 1 1 45 45 LYS HA H 1 3.985 0.030 . 1 . . . . 45 LYS HA . 10087 1 494 . 1 1 45 45 LYS HB2 H 1 1.798 0.030 . 2 . . . . 45 LYS HB2 . 10087 1 495 . 1 1 45 45 LYS HB3 H 1 1.516 0.030 . 2 . . . . 45 LYS HB3 . 10087 1 496 . 1 1 45 45 LYS HG2 H 1 1.723 0.030 . 2 . . . . 45 LYS HG2 . 10087 1 497 . 1 1 45 45 LYS HG3 H 1 1.276 0.030 . 2 . . . . 45 LYS HG3 . 10087 1 498 . 1 1 45 45 LYS HD2 H 1 1.549 0.030 . 2 . . . . 45 LYS HD2 . 10087 1 499 . 1 1 45 45 LYS HE2 H 1 3.087 0.030 . 2 . . . . 45 LYS HE2 . 10087 1 500 . 1 1 45 45 LYS HE3 H 1 2.996 0.030 . 2 . . . . 45 LYS HE3 . 10087 1 501 . 1 1 45 45 LYS C C 13 179.233 0.300 . 1 . . . . 45 LYS C . 10087 1 502 . 1 1 45 45 LYS CA C 13 60.676 0.300 . 1 . . . . 45 LYS CA . 10087 1 503 . 1 1 45 45 LYS CB C 13 31.840 0.300 . 1 . . . . 45 LYS CB . 10087 1 504 . 1 1 45 45 LYS CG C 13 22.858 0.300 . 1 . . . . 45 LYS CG . 10087 1 505 . 1 1 45 45 LYS CD C 13 28.593 0.300 . 1 . . . . 45 LYS CD . 10087 1 506 . 1 1 45 45 LYS CE C 13 40.105 0.300 . 1 . . . . 45 LYS CE . 10087 1 507 . 1 1 45 45 LYS N N 15 123.778 0.300 . 1 . . . . 45 LYS N . 10087 1 508 . 1 1 46 46 LYS H H 1 8.654 0.030 . 1 . . . . 46 LYS H . 10087 1 509 . 1 1 46 46 LYS HA H 1 4.145 0.030 . 1 . . . . 46 LYS HA . 10087 1 510 . 1 1 46 46 LYS HB2 H 1 1.876 0.030 . 2 . . . . 46 LYS HB2 . 10087 1 511 . 1 1 46 46 LYS HB3 H 1 1.821 0.030 . 2 . . . . 46 LYS HB3 . 10087 1 512 . 1 1 46 46 LYS HG2 H 1 1.447 0.030 . 2 . . . . 46 LYS HG2 . 10087 1 513 . 1 1 46 46 LYS HE2 H 1 3.000 0.030 . 2 . . . . 46 LYS HE2 . 10087 1 514 . 1 1 46 46 LYS C C 13 176.888 0.300 . 1 . . . . 46 LYS C . 10087 1 515 . 1 1 46 46 LYS CA C 13 58.451 0.300 . 1 . . . . 46 LYS CA . 10087 1 516 . 1 1 46 46 LYS CB C 13 32.133 0.300 . 1 . . . . 46 LYS CB . 10087 1 517 . 1 1 46 46 LYS CG C 13 25.192 0.300 . 1 . . . . 46 LYS CG . 10087 1 518 . 1 1 46 46 LYS CD C 13 29.329 0.300 . 1 . . . . 46 LYS CD . 10087 1 519 . 1 1 46 46 LYS CE C 13 42.012 0.300 . 1 . . . . 46 LYS CE . 10087 1 520 . 1 1 46 46 LYS N N 15 115.869 0.300 . 1 . . . . 46 LYS N . 10087 1 521 . 1 1 47 47 GLN H H 1 7.961 0.030 . 1 . . . . 47 GLN H . 10087 1 522 . 1 1 47 47 GLN HA H 1 4.412 0.030 . 1 . . . . 47 GLN HA . 10087 1 523 . 1 1 47 47 GLN HB2 H 1 2.456 0.030 . 2 . . . . 47 GLN HB2 . 10087 1 524 . 1 1 47 47 GLN HB3 H 1 1.866 0.030 . 2 . . . . 47 GLN HB3 . 10087 1 525 . 1 1 47 47 GLN HG2 H 1 2.397 0.030 . 2 . . . . 47 GLN HG2 . 10087 1 526 . 1 1 47 47 GLN HG3 H 1 2.254 0.030 . 2 . . . . 47 GLN HG3 . 10087 1 527 . 1 1 47 47 GLN HE21 H 1 7.508 0.030 . 2 . . . . 47 GLN HE21 . 10087 1 528 . 1 1 47 47 GLN HE22 H 1 6.816 0.030 . 2 . . . . 47 GLN HE22 . 10087 1 529 . 1 1 47 47 GLN C C 13 175.250 0.300 . 1 . . . . 47 GLN C . 10087 1 530 . 1 1 47 47 GLN CA C 13 55.518 0.300 . 1 . . . . 47 GLN CA . 10087 1 531 . 1 1 47 47 GLN CB C 13 30.144 0.300 . 1 . . . . 47 GLN CB . 10087 1 532 . 1 1 47 47 GLN CG C 13 34.747 0.300 . 1 . . . . 47 GLN CG . 10087 1 533 . 1 1 47 47 GLN N N 15 115.594 0.300 . 1 . . . . 47 GLN N . 10087 1 534 . 1 1 47 47 GLN NE2 N 15 110.464 0.300 . 1 . . . . 47 GLN NE2 . 10087 1 535 . 1 1 48 48 GLN H H 1 7.355 0.030 . 1 . . . . 48 GLN H . 10087 1 536 . 1 1 48 48 GLN HA H 1 4.176 0.030 . 1 . . . . 48 GLN HA . 10087 1 537 . 1 1 48 48 GLN HB2 H 1 1.910 0.030 . 2 . . . . 48 GLN HB2 . 10087 1 538 . 1 1 48 48 GLN HB3 H 1 1.806 0.030 . 2 . . . . 48 GLN HB3 . 10087 1 539 . 1 1 48 48 GLN HG2 H 1 2.428 0.030 . 2 . . . . 48 GLN HG2 . 10087 1 540 . 1 1 48 48 GLN HG3 H 1 1.755 0.030 . 2 . . . . 48 GLN HG3 . 10087 1 541 . 1 1 48 48 GLN HE21 H 1 6.777 0.030 . 2 . . . . 48 GLN HE21 . 10087 1 542 . 1 1 48 48 GLN HE22 H 1 6.559 0.030 . 2 . . . . 48 GLN HE22 . 10087 1 543 . 1 1 48 48 GLN C C 13 175.402 0.300 . 1 . . . . 48 GLN C . 10087 1 544 . 1 1 48 48 GLN CA C 13 56.421 0.300 . 1 . . . . 48 GLN CA . 10087 1 545 . 1 1 48 48 GLN CB C 13 31.354 0.300 . 1 . . . . 48 GLN CB . 10087 1 546 . 1 1 48 48 GLN CG C 13 32.599 0.300 . 1 . . . . 48 GLN CG . 10087 1 547 . 1 1 48 48 GLN N N 15 119.307 0.300 . 1 . . . . 48 GLN N . 10087 1 548 . 1 1 48 48 GLN NE2 N 15 104.914 0.300 . 1 . . . . 48 GLN NE2 . 10087 1 549 . 1 1 49 49 GLN H H 1 8.791 0.030 . 1 . . . . 49 GLN H . 10087 1 550 . 1 1 49 49 GLN HA H 1 4.565 0.030 . 1 . . . . 49 GLN HA . 10087 1 551 . 1 1 49 49 GLN HB2 H 1 2.088 0.030 . 2 . . . . 49 GLN HB2 . 10087 1 552 . 1 1 49 49 GLN HB3 H 1 1.581 0.030 . 2 . . . . 49 GLN HB3 . 10087 1 553 . 1 1 49 49 GLN HG2 H 1 2.131 0.030 . 2 . . . . 49 GLN HG2 . 10087 1 554 . 1 1 49 49 GLN HG3 H 1 1.948 0.030 . 2 . . . . 49 GLN HG3 . 10087 1 555 . 1 1 49 49 GLN HE21 H 1 7.571 0.030 . 2 . . . . 49 GLN HE21 . 10087 1 556 . 1 1 49 49 GLN HE22 H 1 6.917 0.030 . 2 . . . . 49 GLN HE22 . 10087 1 557 . 1 1 49 49 GLN C C 13 173.785 0.300 . 1 . . . . 49 GLN C . 10087 1 558 . 1 1 49 49 GLN CA C 13 54.698 0.300 . 1 . . . . 49 GLN CA . 10087 1 559 . 1 1 49 49 GLN CB C 13 31.275 0.300 . 1 . . . . 49 GLN CB . 10087 1 560 . 1 1 49 49 GLN CG C 13 34.472 0.300 . 1 . . . . 49 GLN CG . 10087 1 561 . 1 1 49 49 GLN N N 15 123.352 0.300 . 1 . . . . 49 GLN N . 10087 1 562 . 1 1 49 49 GLN NE2 N 15 114.180 0.300 . 1 . . . . 49 GLN NE2 . 10087 1 563 . 1 1 50 50 LEU H H 1 8.627 0.030 . 1 . . . . 50 LEU H . 10087 1 564 . 1 1 50 50 LEU HA H 1 5.453 0.030 . 1 . . . . 50 LEU HA . 10087 1 565 . 1 1 50 50 LEU HB2 H 1 1.385 0.030 . 2 . . . . 50 LEU HB2 . 10087 1 566 . 1 1 50 50 LEU HB3 H 1 1.107 0.030 . 2 . . . . 50 LEU HB3 . 10087 1 567 . 1 1 50 50 LEU HG H 1 1.391 0.030 . 1 . . . . 50 LEU HG . 10087 1 568 . 1 1 50 50 LEU HD11 H 1 0.639 0.030 . 1 . . . . 50 LEU HD1 . 10087 1 569 . 1 1 50 50 LEU HD12 H 1 0.639 0.030 . 1 . . . . 50 LEU HD1 . 10087 1 570 . 1 1 50 50 LEU HD13 H 1 0.639 0.030 . 1 . . . . 50 LEU HD1 . 10087 1 571 . 1 1 50 50 LEU HD21 H 1 0.770 0.030 . 1 . . . . 50 LEU HD2 . 10087 1 572 . 1 1 50 50 LEU HD22 H 1 0.770 0.030 . 1 . . . . 50 LEU HD2 . 10087 1 573 . 1 1 50 50 LEU HD23 H 1 0.770 0.030 . 1 . . . . 50 LEU HD2 . 10087 1 574 . 1 1 50 50 LEU C C 13 175.392 0.300 . 1 . . . . 50 LEU C . 10087 1 575 . 1 1 50 50 LEU CA C 13 52.612 0.300 . 1 . . . . 50 LEU CA . 10087 1 576 . 1 1 50 50 LEU CB C 13 47.235 0.300 . 1 . . . . 50 LEU CB . 10087 1 577 . 1 1 50 50 LEU CG C 13 26.912 0.300 . 1 . . . . 50 LEU CG . 10087 1 578 . 1 1 50 50 LEU CD1 C 13 26.586 0.300 . 2 . . . . 50 LEU CD1 . 10087 1 579 . 1 1 50 50 LEU CD2 C 13 24.391 0.300 . 2 . . . . 50 LEU CD2 . 10087 1 580 . 1 1 50 50 LEU N N 15 126.232 0.300 . 1 . . . . 50 LEU N . 10087 1 581 . 1 1 51 51 GLU H H 1 8.813 0.030 . 1 . . . . 51 GLU H . 10087 1 582 . 1 1 51 51 GLU HA H 1 5.374 0.030 . 1 . . . . 51 GLU HA . 10087 1 583 . 1 1 51 51 GLU HB2 H 1 1.767 0.030 . 1 . . . . 51 GLU HB2 . 10087 1 584 . 1 1 51 51 GLU HB3 H 1 1.767 0.030 . 1 . . . . 51 GLU HB3 . 10087 1 585 . 1 1 51 51 GLU HG2 H 1 1.990 0.030 . 2 . . . . 51 GLU HG2 . 10087 1 586 . 1 1 51 51 GLU HG3 H 1 1.928 0.030 . 2 . . . . 51 GLU HG3 . 10087 1 587 . 1 1 51 51 GLU C C 13 175.392 0.300 . 1 . . . . 51 GLU C . 10087 1 588 . 1 1 51 51 GLU CA C 13 53.981 0.300 . 1 . . . . 51 GLU CA . 10087 1 589 . 1 1 51 51 GLU CB C 13 35.556 0.300 . 1 . . . . 51 GLU CB . 10087 1 590 . 1 1 51 51 GLU CG C 13 37.371 0.300 . 1 . . . . 51 GLU CG . 10087 1 591 . 1 1 51 51 GLU N N 15 119.994 0.300 . 1 . . . . 51 GLU N . 10087 1 592 . 1 1 52 52 PHE H H 1 8.564 0.030 . 1 . . . . 52 PHE H . 10087 1 593 . 1 1 52 52 PHE HA H 1 5.022 0.030 . 1 . . . . 52 PHE HA . 10087 1 594 . 1 1 52 52 PHE HB2 H 1 3.009 0.030 . 2 . . . . 52 PHE HB2 . 10087 1 595 . 1 1 52 52 PHE HB3 H 1 2.690 0.030 . 2 . . . . 52 PHE HB3 . 10087 1 596 . 1 1 52 52 PHE HD1 H 1 7.309 0.030 . 1 . . . . 52 PHE HD1 . 10087 1 597 . 1 1 52 52 PHE HD2 H 1 7.309 0.030 . 1 . . . . 52 PHE HD2 . 10087 1 598 . 1 1 52 52 PHE HE1 H 1 7.353 0.030 . 1 . . . . 52 PHE HE1 . 10087 1 599 . 1 1 52 52 PHE HE2 H 1 7.353 0.030 . 1 . . . . 52 PHE HE2 . 10087 1 600 . 1 1 52 52 PHE C C 13 174.963 0.300 . 1 . . . . 52 PHE C . 10087 1 601 . 1 1 52 52 PHE CA C 13 56.947 0.300 . 1 . . . . 52 PHE CA . 10087 1 602 . 1 1 52 52 PHE CB C 13 43.715 0.300 . 1 . . . . 52 PHE CB . 10087 1 603 . 1 1 52 52 PHE CD1 C 13 131.931 0.300 . 1 . . . . 52 PHE CD1 . 10087 1 604 . 1 1 52 52 PHE CD2 C 13 131.931 0.300 . 1 . . . . 52 PHE CD2 . 10087 1 605 . 1 1 52 52 PHE CE1 C 13 131.969 0.300 . 1 . . . . 52 PHE CE1 . 10087 1 606 . 1 1 52 52 PHE CE2 C 13 131.969 0.300 . 1 . . . . 52 PHE CE2 . 10087 1 607 . 1 1 52 52 PHE N N 15 119.719 0.300 . 1 . . . . 52 PHE N . 10087 1 608 . 1 1 53 53 GLN H H 1 9.205 0.030 . 1 . . . . 53 GLN H . 10087 1 609 . 1 1 53 53 GLN HA H 1 3.602 0.030 . 1 . . . . 53 GLN HA . 10087 1 610 . 1 1 53 53 GLN HB2 H 1 1.896 0.030 . 2 . . . . 53 GLN HB2 . 10087 1 611 . 1 1 53 53 GLN HB3 H 1 1.494 0.030 . 2 . . . . 53 GLN HB3 . 10087 1 612 . 1 1 53 53 GLN HG2 H 1 1.388 0.030 . 2 . . . . 53 GLN HG2 . 10087 1 613 . 1 1 53 53 GLN HG3 H 1 1.061 0.030 . 2 . . . . 53 GLN HG3 . 10087 1 614 . 1 1 53 53 GLN HE21 H 1 6.950 0.030 . 2 . . . . 53 GLN HE21 . 10087 1 615 . 1 1 53 53 GLN HE22 H 1 6.796 0.030 . 2 . . . . 53 GLN HE22 . 10087 1 616 . 1 1 53 53 GLN C C 13 175.988 0.300 . 1 . . . . 53 GLN C . 10087 1 617 . 1 1 53 53 GLN CA C 13 56.455 0.300 . 1 . . . . 53 GLN CA . 10087 1 618 . 1 1 53 53 GLN CB C 13 25.990 0.300 . 1 . . . . 53 GLN CB . 10087 1 619 . 1 1 53 53 GLN CG C 13 33.004 0.300 . 1 . . . . 53 GLN CG . 10087 1 620 . 1 1 53 53 GLN N N 15 127.282 0.300 . 1 . . . . 53 GLN N . 10087 1 621 . 1 1 53 53 GLN NE2 N 15 111.772 0.300 . 1 . . . . 53 GLN NE2 . 10087 1 622 . 1 1 54 54 GLY H H 1 8.825 0.030 . 1 . . . . 54 GLY H . 10087 1 623 . 1 1 54 54 GLY HA2 H 1 4.073 0.030 . 2 . . . . 54 GLY HA2 . 10087 1 624 . 1 1 54 54 GLY HA3 H 1 3.596 0.030 . 2 . . . . 54 GLY HA3 . 10087 1 625 . 1 1 54 54 GLY C C 13 173.855 0.300 . 1 . . . . 54 GLY C . 10087 1 626 . 1 1 54 54 GLY CA C 13 45.387 0.300 . 1 . . . . 54 GLY CA . 10087 1 627 . 1 1 54 54 GLY N N 15 104.208 0.300 . 1 . . . . 54 GLY N . 10087 1 628 . 1 1 55 55 GLN H H 1 7.833 0.030 . 1 . . . . 55 GLN H . 10087 1 629 . 1 1 55 55 GLN HA H 1 4.612 0.030 . 1 . . . . 55 GLN HA . 10087 1 630 . 1 1 55 55 GLN HB2 H 1 2.132 0.030 . 1 . . . . 55 GLN HB2 . 10087 1 631 . 1 1 55 55 GLN HB3 H 1 2.132 0.030 . 1 . . . . 55 GLN HB3 . 10087 1 632 . 1 1 55 55 GLN HG2 H 1 2.420 0.030 . 2 . . . . 55 GLN HG2 . 10087 1 633 . 1 1 55 55 GLN HG3 H 1 2.357 0.030 . 2 . . . . 55 GLN HG3 . 10087 1 634 . 1 1 55 55 GLN HE21 H 1 7.588 0.030 . 2 . . . . 55 GLN HE21 . 10087 1 635 . 1 1 55 55 GLN HE22 H 1 7.294 0.030 . 2 . . . . 55 GLN HE22 . 10087 1 636 . 1 1 55 55 GLN C C 13 174.765 0.300 . 1 . . . . 55 GLN C . 10087 1 637 . 1 1 55 55 GLN CA C 13 54.031 0.300 . 1 . . . . 55 GLN CA . 10087 1 638 . 1 1 55 55 GLN CB C 13 31.340 0.300 . 1 . . . . 55 GLN CB . 10087 1 639 . 1 1 55 55 GLN CG C 13 34.175 0.300 . 1 . . . . 55 GLN CG . 10087 1 640 . 1 1 55 55 GLN N N 15 119.857 0.300 . 1 . . . . 55 GLN N . 10087 1 641 . 1 1 55 55 GLN NE2 N 15 111.593 0.300 . 1 . . . . 55 GLN NE2 . 10087 1 642 . 1 1 56 56 VAL H H 1 8.589 0.030 . 1 . . . . 56 VAL H . 10087 1 643 . 1 1 56 56 VAL HA H 1 4.031 0.030 . 1 . . . . 56 VAL HA . 10087 1 644 . 1 1 56 56 VAL HB H 1 1.868 0.030 . 1 . . . . 56 VAL HB . 10087 1 645 . 1 1 56 56 VAL HG11 H 1 0.802 0.030 . 1 . . . . 56 VAL HG1 . 10087 1 646 . 1 1 56 56 VAL HG12 H 1 0.802 0.030 . 1 . . . . 56 VAL HG1 . 10087 1 647 . 1 1 56 56 VAL HG13 H 1 0.802 0.030 . 1 . . . . 56 VAL HG1 . 10087 1 648 . 1 1 56 56 VAL HG21 H 1 0.885 0.030 . 1 . . . . 56 VAL HG2 . 10087 1 649 . 1 1 56 56 VAL HG22 H 1 0.885 0.030 . 1 . . . . 56 VAL HG2 . 10087 1 650 . 1 1 56 56 VAL HG23 H 1 0.885 0.030 . 1 . . . . 56 VAL HG2 . 10087 1 651 . 1 1 56 56 VAL C C 13 176.059 0.300 . 1 . . . . 56 VAL C . 10087 1 652 . 1 1 56 56 VAL CA C 13 63.187 0.300 . 1 . . . . 56 VAL CA . 10087 1 653 . 1 1 56 56 VAL CB C 13 31.524 0.300 . 1 . . . . 56 VAL CB . 10087 1 654 . 1 1 56 56 VAL CG1 C 13 21.822 0.300 . 2 . . . . 56 VAL CG1 . 10087 1 655 . 1 1 56 56 VAL CG2 C 13 22.043 0.300 . 2 . . . . 56 VAL CG2 . 10087 1 656 . 1 1 56 56 VAL N N 15 124.279 0.300 . 1 . . . . 56 VAL N . 10087 1 657 . 1 1 57 57 LEU H H 1 8.411 0.030 . 1 . . . . 57 LEU H . 10087 1 658 . 1 1 57 57 LEU HA H 1 3.931 0.030 . 1 . . . . 57 LEU HA . 10087 1 659 . 1 1 57 57 LEU HB2 H 1 1.324 0.030 . 2 . . . . 57 LEU HB2 . 10087 1 660 . 1 1 57 57 LEU HB3 H 1 0.888 0.030 . 2 . . . . 57 LEU HB3 . 10087 1 661 . 1 1 57 57 LEU HG H 1 1.248 0.030 . 1 . . . . 57 LEU HG . 10087 1 662 . 1 1 57 57 LEU HD11 H 1 0.438 0.030 . 1 . . . . 57 LEU HD1 . 10087 1 663 . 1 1 57 57 LEU HD12 H 1 0.438 0.030 . 1 . . . . 57 LEU HD1 . 10087 1 664 . 1 1 57 57 LEU HD13 H 1 0.438 0.030 . 1 . . . . 57 LEU HD1 . 10087 1 665 . 1 1 57 57 LEU HD21 H 1 -0.249 0.030 . 1 . . . . 57 LEU HD2 . 10087 1 666 . 1 1 57 57 LEU HD22 H 1 -0.249 0.030 . 1 . . . . 57 LEU HD2 . 10087 1 667 . 1 1 57 57 LEU HD23 H 1 -0.249 0.030 . 1 . . . . 57 LEU HD2 . 10087 1 668 . 1 1 57 57 LEU C C 13 176.362 0.300 . 1 . . . . 57 LEU C . 10087 1 669 . 1 1 57 57 LEU CA C 13 54.074 0.300 . 1 . . . . 57 LEU CA . 10087 1 670 . 1 1 57 57 LEU CB C 13 40.980 0.300 . 1 . . . . 57 LEU CB . 10087 1 671 . 1 1 57 57 LEU CG C 13 26.077 0.300 . 1 . . . . 57 LEU CG . 10087 1 672 . 1 1 57 57 LEU CD1 C 13 26.257 0.300 . 2 . . . . 57 LEU CD1 . 10087 1 673 . 1 1 57 57 LEU CD2 C 13 20.208 0.300 . 2 . . . . 57 LEU CD2 . 10087 1 674 . 1 1 57 57 LEU N N 15 127.336 0.300 . 1 . . . . 57 LEU N . 10087 1 675 . 1 1 58 58 GLN H H 1 8.114 0.030 . 1 . . . . 58 GLN H . 10087 1 676 . 1 1 58 58 GLN HA H 1 4.249 0.030 . 1 . . . . 58 GLN HA . 10087 1 677 . 1 1 58 58 GLN HB2 H 1 1.264 0.030 . 2 . . . . 58 GLN HB2 . 10087 1 678 . 1 1 58 58 GLN HB3 H 1 0.993 0.030 . 2 . . . . 58 GLN HB3 . 10087 1 679 . 1 1 58 58 GLN HG2 H 1 2.270 0.030 . 1 . . . . 58 GLN HG2 . 10087 1 680 . 1 1 58 58 GLN HG3 H 1 2.270 0.030 . 1 . . . . 58 GLN HG3 . 10087 1 681 . 1 1 58 58 GLN HE21 H 1 7.363 0.030 . 2 . . . . 58 GLN HE21 . 10087 1 682 . 1 1 58 58 GLN HE22 H 1 6.915 0.030 . 2 . . . . 58 GLN HE22 . 10087 1 683 . 1 1 58 58 GLN C C 13 176.746 0.300 . 1 . . . . 58 GLN C . 10087 1 684 . 1 1 58 58 GLN CA C 13 54.598 0.300 . 1 . . . . 58 GLN CA . 10087 1 685 . 1 1 58 58 GLN CB C 13 28.619 0.300 . 1 . . . . 58 GLN CB . 10087 1 686 . 1 1 58 58 GLN CG C 13 33.101 0.300 . 1 . . . . 58 GLN CG . 10087 1 687 . 1 1 58 58 GLN N N 15 121.196 0.300 . 1 . . . . 58 GLN N . 10087 1 688 . 1 1 58 58 GLN NE2 N 15 112.587 0.300 . 1 . . . . 58 GLN NE2 . 10087 1 689 . 1 1 59 59 ASP H H 1 8.037 0.030 . 1 . . . . 59 ASP H . 10087 1 690 . 1 1 59 59 ASP HA H 1 4.014 0.030 . 1 . . . . 59 ASP HA . 10087 1 691 . 1 1 59 59 ASP HB2 H 1 2.534 0.030 . 2 . . . . 59 ASP HB2 . 10087 1 692 . 1 1 59 59 ASP HB3 H 1 2.390 0.030 . 2 . . . . 59 ASP HB3 . 10087 1 693 . 1 1 59 59 ASP C C 13 176.554 0.300 . 1 . . . . 59 ASP C . 10087 1 694 . 1 1 59 59 ASP CA C 13 57.714 0.300 . 1 . . . . 59 ASP CA . 10087 1 695 . 1 1 59 59 ASP CB C 13 41.816 0.300 . 1 . . . . 59 ASP CB . 10087 1 696 . 1 1 59 59 ASP N N 15 118.707 0.300 . 1 . . . . 59 ASP N . 10087 1 697 . 1 1 60 60 TRP H H 1 6.981 0.030 . 1 . . . . 60 TRP H . 10087 1 698 . 1 1 60 60 TRP HA H 1 4.586 0.030 . 1 . . . . 60 TRP HA . 10087 1 699 . 1 1 60 60 TRP HB2 H 1 3.354 0.030 . 2 . . . . 60 TRP HB2 . 10087 1 700 . 1 1 60 60 TRP HB3 H 1 3.188 0.030 . 2 . . . . 60 TRP HB3 . 10087 1 701 . 1 1 60 60 TRP HD1 H 1 7.147 0.030 . 1 . . . . 60 TRP HD1 . 10087 1 702 . 1 1 60 60 TRP HE1 H 1 10.370 0.030 . 1 . . . . 60 TRP HE1 . 10087 1 703 . 1 1 60 60 TRP HE3 H 1 7.432 0.030 . 1 . . . . 60 TRP HE3 . 10087 1 704 . 1 1 60 60 TRP HZ2 H 1 7.466 0.030 . 1 . . . . 60 TRP HZ2 . 10087 1 705 . 1 1 60 60 TRP HH2 H 1 7.212 0.030 . 1 . . . . 60 TRP HH2 . 10087 1 706 . 1 1 60 60 TRP C C 13 174.300 0.300 . 1 . . . . 60 TRP C . 10087 1 707 . 1 1 60 60 TRP CA C 13 56.515 0.300 . 1 . . . . 60 TRP CA . 10087 1 708 . 1 1 60 60 TRP CB C 13 27.516 0.300 . 1 . . . . 60 TRP CB . 10087 1 709 . 1 1 60 60 TRP CD1 C 13 127.246 0.300 . 1 . . . . 60 TRP CD1 . 10087 1 710 . 1 1 60 60 TRP CE3 C 13 120.243 0.300 . 1 . . . . 60 TRP CE3 . 10087 1 711 . 1 1 60 60 TRP CZ2 C 13 114.904 0.300 . 1 . . . . 60 TRP CZ2 . 10087 1 712 . 1 1 60 60 TRP CZ3 C 13 122.724 0.300 . 1 . . . . 60 TRP CZ3 . 10087 1 713 . 1 1 60 60 TRP CH2 C 13 125.079 0.300 . 1 . . . . 60 TRP CH2 . 10087 1 714 . 1 1 60 60 TRP N N 15 112.293 0.300 . 1 . . . . 60 TRP N . 10087 1 715 . 1 1 60 60 TRP NE1 N 15 130.641 0.300 . 1 . . . . 60 TRP NE1 . 10087 1 716 . 1 1 61 61 LEU H H 1 7.187 0.030 . 1 . . . . 61 LEU H . 10087 1 717 . 1 1 61 61 LEU HA H 1 4.812 0.030 . 1 . . . . 61 LEU HA . 10087 1 718 . 1 1 61 61 LEU HB2 H 1 1.797 0.030 . 2 . . . . 61 LEU HB2 . 10087 1 719 . 1 1 61 61 LEU HB3 H 1 1.418 0.030 . 2 . . . . 61 LEU HB3 . 10087 1 720 . 1 1 61 61 LEU HG H 1 0.990 0.030 . 1 . . . . 61 LEU HG . 10087 1 721 . 1 1 61 61 LEU HD11 H 1 0.785 0.030 . 1 . . . . 61 LEU HD1 . 10087 1 722 . 1 1 61 61 LEU HD12 H 1 0.785 0.030 . 1 . . . . 61 LEU HD1 . 10087 1 723 . 1 1 61 61 LEU HD13 H 1 0.785 0.030 . 1 . . . . 61 LEU HD1 . 10087 1 724 . 1 1 61 61 LEU HD21 H 1 0.929 0.030 . 1 . . . . 61 LEU HD2 . 10087 1 725 . 1 1 61 61 LEU HD22 H 1 0.929 0.030 . 1 . . . . 61 LEU HD2 . 10087 1 726 . 1 1 61 61 LEU HD23 H 1 0.929 0.030 . 1 . . . . 61 LEU HD2 . 10087 1 727 . 1 1 61 61 LEU C C 13 176.261 0.300 . 1 . . . . 61 LEU C . 10087 1 728 . 1 1 61 61 LEU CA C 13 53.297 0.300 . 1 . . . . 61 LEU CA . 10087 1 729 . 1 1 61 61 LEU CB C 13 44.224 0.300 . 1 . . . . 61 LEU CB . 10087 1 730 . 1 1 61 61 LEU CG C 13 26.997 0.300 . 1 . . . . 61 LEU CG . 10087 1 731 . 1 1 61 61 LEU CD1 C 13 24.802 0.300 . 2 . . . . 61 LEU CD1 . 10087 1 732 . 1 1 61 61 LEU CD2 C 13 23.502 0.300 . 2 . . . . 61 LEU CD2 . 10087 1 733 . 1 1 61 61 LEU N N 15 121.535 0.300 . 1 . . . . 61 LEU N . 10087 1 734 . 1 1 62 62 GLY H H 1 8.056 0.030 . 1 . . . . 62 GLY H . 10087 1 735 . 1 1 62 62 GLY HA2 H 1 4.598 0.030 . 2 . . . . 62 GLY HA2 . 10087 1 736 . 1 1 62 62 GLY HA3 H 1 3.598 0.030 . 2 . . . . 62 GLY HA3 . 10087 1 737 . 1 1 62 62 GLY C C 13 174.259 0.300 . 1 . . . . 62 GLY C . 10087 1 738 . 1 1 62 62 GLY CA C 13 44.393 0.300 . 1 . . . . 62 GLY CA . 10087 1 739 . 1 1 62 62 GLY N N 15 106.062 0.300 . 1 . . . . 62 GLY N . 10087 1 740 . 1 1 63 63 LEU H H 1 8.027 0.030 . 1 . . . . 63 LEU H . 10087 1 741 . 1 1 63 63 LEU HA H 1 3.941 0.030 . 1 . . . . 63 LEU HA . 10087 1 742 . 1 1 63 63 LEU HB2 H 1 1.660 0.030 . 2 . . . . 63 LEU HB2 . 10087 1 743 . 1 1 63 63 LEU HB3 H 1 1.375 0.030 . 2 . . . . 63 LEU HB3 . 10087 1 744 . 1 1 63 63 LEU HG H 1 1.660 0.030 . 1 . . . . 63 LEU HG . 10087 1 745 . 1 1 63 63 LEU HD11 H 1 0.731 0.030 . 1 . . . . 63 LEU HD1 . 10087 1 746 . 1 1 63 63 LEU HD12 H 1 0.731 0.030 . 1 . . . . 63 LEU HD1 . 10087 1 747 . 1 1 63 63 LEU HD13 H 1 0.731 0.030 . 1 . . . . 63 LEU HD1 . 10087 1 748 . 1 1 63 63 LEU HD21 H 1 0.623 0.030 . 1 . . . . 63 LEU HD2 . 10087 1 749 . 1 1 63 63 LEU HD22 H 1 0.623 0.030 . 1 . . . . 63 LEU HD2 . 10087 1 750 . 1 1 63 63 LEU HD23 H 1 0.623 0.030 . 1 . . . . 63 LEU HD2 . 10087 1 751 . 1 1 63 63 LEU C C 13 179.880 0.300 . 1 . . . . 63 LEU C . 10087 1 752 . 1 1 63 63 LEU CA C 13 59.093 0.300 . 1 . . . . 63 LEU CA . 10087 1 753 . 1 1 63 63 LEU CB C 13 41.811 0.300 . 1 . . . . 63 LEU CB . 10087 1 754 . 1 1 63 63 LEU CG C 13 28.167 0.300 . 1 . . . . 63 LEU CG . 10087 1 755 . 1 1 63 63 LEU CD1 C 13 26.334 0.300 . 2 . . . . 63 LEU CD1 . 10087 1 756 . 1 1 63 63 LEU CD2 C 13 25.008 0.300 . 2 . . . . 63 LEU CD2 . 10087 1 757 . 1 1 63 63 LEU N N 15 118.699 0.300 . 1 . . . . 63 LEU N . 10087 1 758 . 1 1 64 64 GLY H H 1 8.663 0.030 . 1 . . . . 64 GLY H . 10087 1 759 . 1 1 64 64 GLY HA2 H 1 3.909 0.030 . 2 . . . . 64 GLY HA2 . 10087 1 760 . 1 1 64 64 GLY HA3 H 1 3.872 0.030 . 2 . . . . 64 GLY HA3 . 10087 1 761 . 1 1 64 64 GLY C C 13 177.818 0.300 . 1 . . . . 64 GLY C . 10087 1 762 . 1 1 64 64 GLY CA C 13 46.928 0.300 . 1 . . . . 64 GLY CA . 10087 1 763 . 1 1 64 64 GLY N N 15 103.739 0.300 . 1 . . . . 64 GLY N . 10087 1 764 . 1 1 65 65 ILE H H 1 7.523 0.030 . 1 . . . . 65 ILE H . 10087 1 765 . 1 1 65 65 ILE HA H 1 3.907 0.030 . 1 . . . . 65 ILE HA . 10087 1 766 . 1 1 65 65 ILE HB H 1 1.891 0.030 . 1 . . . . 65 ILE HB . 10087 1 767 . 1 1 65 65 ILE HG12 H 1 1.391 0.030 . 1 . . . . 65 ILE HG12 . 10087 1 768 . 1 1 65 65 ILE HG13 H 1 1.391 0.030 . 1 . . . . 65 ILE HG13 . 10087 1 769 . 1 1 65 65 ILE HG21 H 1 0.522 0.030 . 1 . . . . 65 ILE HG2 . 10087 1 770 . 1 1 65 65 ILE HG22 H 1 0.522 0.030 . 1 . . . . 65 ILE HG2 . 10087 1 771 . 1 1 65 65 ILE HG23 H 1 0.522 0.030 . 1 . . . . 65 ILE HG2 . 10087 1 772 . 1 1 65 65 ILE HD11 H 1 0.748 0.030 . 1 . . . . 65 ILE HD1 . 10087 1 773 . 1 1 65 65 ILE HD12 H 1 0.748 0.030 . 1 . . . . 65 ILE HD1 . 10087 1 774 . 1 1 65 65 ILE HD13 H 1 0.748 0.030 . 1 . . . . 65 ILE HD1 . 10087 1 775 . 1 1 65 65 ILE C C 13 177.384 0.300 . 1 . . . . 65 ILE C . 10087 1 776 . 1 1 65 65 ILE CA C 13 61.652 0.300 . 1 . . . . 65 ILE CA . 10087 1 777 . 1 1 65 65 ILE CB C 13 36.560 0.300 . 1 . . . . 65 ILE CB . 10087 1 778 . 1 1 65 65 ILE CG1 C 13 28.619 0.300 . 1 . . . . 65 ILE CG1 . 10087 1 779 . 1 1 65 65 ILE CG2 C 13 17.479 0.300 . 1 . . . . 65 ILE CG2 . 10087 1 780 . 1 1 65 65 ILE CD1 C 13 11.567 0.300 . 1 . . . . 65 ILE CD1 . 10087 1 781 . 1 1 65 65 ILE N N 15 122.512 0.300 . 1 . . . . 65 ILE N . 10087 1 782 . 1 1 66 66 TYR H H 1 7.068 0.030 . 1 . . . . 66 TYR H . 10087 1 783 . 1 1 66 66 TYR HA H 1 4.519 0.030 . 1 . . . . 66 TYR HA . 10087 1 784 . 1 1 66 66 TYR HB2 H 1 3.330 0.030 . 2 . . . . 66 TYR HB2 . 10087 1 785 . 1 1 66 66 TYR HB3 H 1 2.672 0.030 . 2 . . . . 66 TYR HB3 . 10087 1 786 . 1 1 66 66 TYR HD1 H 1 7.164 0.030 . 1 . . . . 66 TYR HD1 . 10087 1 787 . 1 1 66 66 TYR HD2 H 1 7.164 0.030 . 1 . . . . 66 TYR HD2 . 10087 1 788 . 1 1 66 66 TYR HE1 H 1 6.735 0.030 . 1 . . . . 66 TYR HE1 . 10087 1 789 . 1 1 66 66 TYR HE2 H 1 6.735 0.030 . 1 . . . . 66 TYR HE2 . 10087 1 790 . 1 1 66 66 TYR C C 13 175.867 0.300 . 1 . . . . 66 TYR C . 10087 1 791 . 1 1 66 66 TYR CA C 13 58.909 0.300 . 1 . . . . 66 TYR CA . 10087 1 792 . 1 1 66 66 TYR CB C 13 39.786 0.300 . 1 . . . . 66 TYR CB . 10087 1 793 . 1 1 66 66 TYR CD1 C 13 133.430 0.300 . 1 . . . . 66 TYR CD1 . 10087 1 794 . 1 1 66 66 TYR CD2 C 13 133.430 0.300 . 1 . . . . 66 TYR CD2 . 10087 1 795 . 1 1 66 66 TYR CE1 C 13 118.952 0.300 . 1 . . . . 66 TYR CE1 . 10087 1 796 . 1 1 66 66 TYR CE2 C 13 118.952 0.300 . 1 . . . . 66 TYR CE2 . 10087 1 797 . 1 1 66 66 TYR N N 15 117.294 0.300 . 1 . . . . 66 TYR N . 10087 1 798 . 1 1 67 67 GLY H H 1 7.866 0.030 . 1 . . . . 67 GLY H . 10087 1 799 . 1 1 67 67 GLY HA2 H 1 4.090 0.030 . 2 . . . . 67 GLY HA2 . 10087 1 800 . 1 1 67 67 GLY HA3 H 1 3.814 0.030 . 2 . . . . 67 GLY HA3 . 10087 1 801 . 1 1 67 67 GLY C C 13 174.139 0.300 . 1 . . . . 67 GLY C . 10087 1 802 . 1 1 67 67 GLY CA C 13 46.038 0.300 . 1 . . . . 67 GLY CA . 10087 1 803 . 1 1 67 67 GLY N N 15 106.705 0.300 . 1 . . . . 67 GLY N . 10087 1 804 . 1 1 68 68 ILE H H 1 6.649 0.030 . 1 . . . . 68 ILE H . 10087 1 805 . 1 1 68 68 ILE HA H 1 3.460 0.030 . 1 . . . . 68 ILE HA . 10087 1 806 . 1 1 68 68 ILE HB H 1 1.201 0.030 . 1 . . . . 68 ILE HB . 10087 1 807 . 1 1 68 68 ILE HG12 H 1 0.951 0.030 . 2 . . . . 68 ILE HG12 . 10087 1 808 . 1 1 68 68 ILE HG13 H 1 -0.519 0.030 . 2 . . . . 68 ILE HG13 . 10087 1 809 . 1 1 68 68 ILE HG21 H 1 0.517 0.030 . 1 . . . . 68 ILE HG2 . 10087 1 810 . 1 1 68 68 ILE HG22 H 1 0.517 0.030 . 1 . . . . 68 ILE HG2 . 10087 1 811 . 1 1 68 68 ILE HG23 H 1 0.517 0.030 . 1 . . . . 68 ILE HG2 . 10087 1 812 . 1 1 68 68 ILE HD11 H 1 0.477 0.030 . 1 . . . . 68 ILE HD1 . 10087 1 813 . 1 1 68 68 ILE HD12 H 1 0.477 0.030 . 1 . . . . 68 ILE HD1 . 10087 1 814 . 1 1 68 68 ILE HD13 H 1 0.477 0.030 . 1 . . . . 68 ILE HD1 . 10087 1 815 . 1 1 68 68 ILE C C 13 174.199 0.300 . 1 . . . . 68 ILE C . 10087 1 816 . 1 1 68 68 ILE CA C 13 62.130 0.300 . 1 . . . . 68 ILE CA . 10087 1 817 . 1 1 68 68 ILE CB C 13 38.201 0.300 . 1 . . . . 68 ILE CB . 10087 1 818 . 1 1 68 68 ILE CG1 C 13 28.551 0.300 . 1 . . . . 68 ILE CG1 . 10087 1 819 . 1 1 68 68 ILE CG2 C 13 17.935 0.300 . 1 . . . . 68 ILE CG2 . 10087 1 820 . 1 1 68 68 ILE CD1 C 13 14.721 0.300 . 1 . . . . 68 ILE CD1 . 10087 1 821 . 1 1 68 68 ILE N N 15 120.819 0.300 . 1 . . . . 68 ILE N . 10087 1 822 . 1 1 69 69 GLN H H 1 9.655 0.030 . 1 . . . . 69 GLN H . 10087 1 823 . 1 1 69 69 GLN HA H 1 4.483 0.030 . 1 . . . . 69 GLN HA . 10087 1 824 . 1 1 69 69 GLN HB2 H 1 2.113 0.030 . 2 . . . . 69 GLN HB2 . 10087 1 825 . 1 1 69 69 GLN HB3 H 1 1.939 0.030 . 2 . . . . 69 GLN HB3 . 10087 1 826 . 1 1 69 69 GLN HG2 H 1 2.415 0.030 . 2 . . . . 69 GLN HG2 . 10087 1 827 . 1 1 69 69 GLN HG3 H 1 2.306 0.030 . 2 . . . . 69 GLN HG3 . 10087 1 828 . 1 1 69 69 GLN HE21 H 1 7.700 0.030 . 2 . . . . 69 GLN HE21 . 10087 1 829 . 1 1 69 69 GLN HE22 H 1 6.787 0.030 . 2 . . . . 69 GLN HE22 . 10087 1 830 . 1 1 69 69 GLN C C 13 173.977 0.300 . 1 . . . . 69 GLN C . 10087 1 831 . 1 1 69 69 GLN CA C 13 53.365 0.300 . 1 . . . . 69 GLN CA . 10087 1 832 . 1 1 69 69 GLN CB C 13 33.059 0.300 . 1 . . . . 69 GLN CB . 10087 1 833 . 1 1 69 69 GLN CG C 13 33.817 0.300 . 1 . . . . 69 GLN CG . 10087 1 834 . 1 1 69 69 GLN N N 15 128.170 0.300 . 1 . . . . 69 GLN N . 10087 1 835 . 1 1 69 69 GLN NE2 N 15 112.835 0.300 . 1 . . . . 69 GLN NE2 . 10087 1 836 . 1 1 70 70 ASP H H 1 8.289 0.030 . 1 . . . . 70 ASP H . 10087 1 837 . 1 1 70 70 ASP HA H 1 4.424 0.030 . 1 . . . . 70 ASP HA . 10087 1 838 . 1 1 70 70 ASP HB2 H 1 2.617 0.030 . 2 . . . . 70 ASP HB2 . 10087 1 839 . 1 1 70 70 ASP HB3 H 1 2.577 0.030 . 2 . . . . 70 ASP HB3 . 10087 1 840 . 1 1 70 70 ASP C C 13 177.292 0.300 . 1 . . . . 70 ASP C . 10087 1 841 . 1 1 70 70 ASP CA C 13 56.654 0.300 . 1 . . . . 70 ASP CA . 10087 1 842 . 1 1 70 70 ASP CB C 13 43.188 0.300 . 1 . . . . 70 ASP CB . 10087 1 843 . 1 1 70 70 ASP N N 15 116.831 0.300 . 1 . . . . 70 ASP N . 10087 1 844 . 1 1 71 71 SER H H 1 9.750 0.030 . 1 . . . . 71 SER H . 10087 1 845 . 1 1 71 71 SER HA H 1 3.760 0.030 . 1 . . . . 71 SER HA . 10087 1 846 . 1 1 71 71 SER HB2 H 1 4.399 0.030 . 2 . . . . 71 SER HB2 . 10087 1 847 . 1 1 71 71 SER HB3 H 1 4.167 0.030 . 2 . . . . 71 SER HB3 . 10087 1 848 . 1 1 71 71 SER C C 13 173.212 0.300 . 1 . . . . 71 SER C . 10087 1 849 . 1 1 71 71 SER CA C 13 61.516 0.300 . 1 . . . . 71 SER CA . 10087 1 850 . 1 1 71 71 SER CB C 13 61.762 0.300 . 1 . . . . 71 SER CB . 10087 1 851 . 1 1 71 71 SER N N 15 116.122 0.300 . 1 . . . . 71 SER N . 10087 1 852 . 1 1 72 72 ASP H H 1 8.001 0.030 . 1 . . . . 72 ASP H . 10087 1 853 . 1 1 72 72 ASP HA H 1 4.984 0.030 . 1 . . . . 72 ASP HA . 10087 1 854 . 1 1 72 72 ASP HB2 H 1 2.933 0.030 . 2 . . . . 72 ASP HB2 . 10087 1 855 . 1 1 72 72 ASP HB3 H 1 2.532 0.030 . 2 . . . . 72 ASP HB3 . 10087 1 856 . 1 1 72 72 ASP C C 13 174.997 0.300 . 1 . . . . 72 ASP C . 10087 1 857 . 1 1 72 72 ASP CA C 13 55.768 0.300 . 1 . . . . 72 ASP CA . 10087 1 858 . 1 1 72 72 ASP CB C 13 42.498 0.300 . 1 . . . . 72 ASP CB . 10087 1 859 . 1 1 72 72 ASP N N 15 121.369 0.300 . 1 . . . . 72 ASP N . 10087 1 860 . 1 1 73 73 THR H H 1 8.436 0.030 . 1 . . . . 73 THR H . 10087 1 861 . 1 1 73 73 THR HA H 1 5.374 0.030 . 1 . . . . 73 THR HA . 10087 1 862 . 1 1 73 73 THR HB H 1 4.024 0.030 . 1 . . . . 73 THR HB . 10087 1 863 . 1 1 73 73 THR HG21 H 1 1.160 0.030 . 1 . . . . 73 THR HG2 . 10087 1 864 . 1 1 73 73 THR HG22 H 1 1.160 0.030 . 1 . . . . 73 THR HG2 . 10087 1 865 . 1 1 73 73 THR HG23 H 1 1.160 0.030 . 1 . . . . 73 THR HG2 . 10087 1 866 . 1 1 73 73 THR C C 13 173.623 0.300 . 1 . . . . 73 THR C . 10087 1 867 . 1 1 73 73 THR CA C 13 62.449 0.300 . 1 . . . . 73 THR CA . 10087 1 868 . 1 1 73 73 THR CB C 13 70.725 0.300 . 1 . . . . 73 THR CB . 10087 1 869 . 1 1 73 73 THR CG2 C 13 21.967 0.300 . 1 . . . . 73 THR CG2 . 10087 1 870 . 1 1 73 73 THR N N 15 113.856 0.300 . 1 . . . . 73 THR N . 10087 1 871 . 1 1 74 74 LEU H H 1 9.580 0.030 . 1 . . . . 74 LEU H . 10087 1 872 . 1 1 74 74 LEU HA H 1 5.051 0.030 . 1 . . . . 74 LEU HA . 10087 1 873 . 1 1 74 74 LEU HB2 H 1 1.643 0.030 . 2 . . . . 74 LEU HB2 . 10087 1 874 . 1 1 74 74 LEU HB3 H 1 1.525 0.030 . 2 . . . . 74 LEU HB3 . 10087 1 875 . 1 1 74 74 LEU HG H 1 1.673 0.030 . 1 . . . . 74 LEU HG . 10087 1 876 . 1 1 74 74 LEU HD11 H 1 0.622 0.030 . 1 . . . . 74 LEU HD1 . 10087 1 877 . 1 1 74 74 LEU HD12 H 1 0.622 0.030 . 1 . . . . 74 LEU HD1 . 10087 1 878 . 1 1 74 74 LEU HD13 H 1 0.622 0.030 . 1 . . . . 74 LEU HD1 . 10087 1 879 . 1 1 74 74 LEU HD21 H 1 0.565 0.030 . 1 . . . . 74 LEU HD2 . 10087 1 880 . 1 1 74 74 LEU HD22 H 1 0.565 0.030 . 1 . . . . 74 LEU HD2 . 10087 1 881 . 1 1 74 74 LEU HD23 H 1 0.565 0.030 . 1 . . . . 74 LEU HD2 . 10087 1 882 . 1 1 74 74 LEU C C 13 175.109 0.300 . 1 . . . . 74 LEU C . 10087 1 883 . 1 1 74 74 LEU CA C 13 53.434 0.300 . 1 . . . . 74 LEU CA . 10087 1 884 . 1 1 74 74 LEU CB C 13 44.320 0.300 . 1 . . . . 74 LEU CB . 10087 1 885 . 1 1 74 74 LEU CG C 13 29.123 0.300 . 1 . . . . 74 LEU CG . 10087 1 886 . 1 1 74 74 LEU CD1 C 13 24.989 0.300 . 2 . . . . 74 LEU CD1 . 10087 1 887 . 1 1 74 74 LEU CD2 C 13 25.481 0.300 . 2 . . . . 74 LEU CD2 . 10087 1 888 . 1 1 74 74 LEU N N 15 128.171 0.300 . 1 . . . . 74 LEU N . 10087 1 889 . 1 1 75 75 ILE H H 1 8.875 0.030 . 1 . . . . 75 ILE H . 10087 1 890 . 1 1 75 75 ILE HA H 1 4.550 0.030 . 1 . . . . 75 ILE HA . 10087 1 891 . 1 1 75 75 ILE HB H 1 1.913 0.030 . 1 . . . . 75 ILE HB . 10087 1 892 . 1 1 75 75 ILE HG12 H 1 1.496 0.030 . 2 . . . . 75 ILE HG12 . 10087 1 893 . 1 1 75 75 ILE HG13 H 1 1.376 0.030 . 2 . . . . 75 ILE HG13 . 10087 1 894 . 1 1 75 75 ILE HG21 H 1 0.844 0.030 . 1 . . . . 75 ILE HG2 . 10087 1 895 . 1 1 75 75 ILE HG22 H 1 0.844 0.030 . 1 . . . . 75 ILE HG2 . 10087 1 896 . 1 1 75 75 ILE HG23 H 1 0.844 0.030 . 1 . . . . 75 ILE HG2 . 10087 1 897 . 1 1 75 75 ILE HD11 H 1 0.796 0.030 . 1 . . . . 75 ILE HD1 . 10087 1 898 . 1 1 75 75 ILE HD12 H 1 0.796 0.030 . 1 . . . . 75 ILE HD1 . 10087 1 899 . 1 1 75 75 ILE HD13 H 1 0.796 0.030 . 1 . . . . 75 ILE HD1 . 10087 1 900 . 1 1 75 75 ILE C C 13 175.599 0.300 . 1 . . . . 75 ILE C . 10087 1 901 . 1 1 75 75 ILE CA C 13 60.103 0.300 . 1 . . . . 75 ILE CA . 10087 1 902 . 1 1 75 75 ILE CB C 13 38.792 0.300 . 1 . . . . 75 ILE CB . 10087 1 903 . 1 1 75 75 ILE CG1 C 13 27.531 0.300 . 1 . . . . 75 ILE CG1 . 10087 1 904 . 1 1 75 75 ILE CG2 C 13 17.706 0.300 . 1 . . . . 75 ILE CG2 . 10087 1 905 . 1 1 75 75 ILE CD1 C 13 11.562 0.300 . 1 . . . . 75 ILE CD1 . 10087 1 906 . 1 1 75 75 ILE N N 15 120.682 0.300 . 1 . . . . 75 ILE N . 10087 1 907 . 1 1 76 76 LEU H H 1 8.638 0.030 . 1 . . . . 76 LEU H . 10087 1 908 . 1 1 76 76 LEU HA H 1 5.338 0.030 . 1 . . . . 76 LEU HA . 10087 1 909 . 1 1 76 76 LEU HB2 H 1 1.898 0.030 . 2 . . . . 76 LEU HB2 . 10087 1 910 . 1 1 76 76 LEU HB3 H 1 1.159 0.030 . 2 . . . . 76 LEU HB3 . 10087 1 911 . 1 1 76 76 LEU HG H 1 1.261 0.030 . 1 . . . . 76 LEU HG . 10087 1 912 . 1 1 76 76 LEU HD11 H 1 0.847 0.030 . 1 . . . . 76 LEU HD1 . 10087 1 913 . 1 1 76 76 LEU HD12 H 1 0.847 0.030 . 1 . . . . 76 LEU HD1 . 10087 1 914 . 1 1 76 76 LEU HD13 H 1 0.847 0.030 . 1 . . . . 76 LEU HD1 . 10087 1 915 . 1 1 76 76 LEU HD21 H 1 0.796 0.030 . 1 . . . . 76 LEU HD2 . 10087 1 916 . 1 1 76 76 LEU HD22 H 1 0.796 0.030 . 1 . . . . 76 LEU HD2 . 10087 1 917 . 1 1 76 76 LEU HD23 H 1 0.796 0.030 . 1 . . . . 76 LEU HD2 . 10087 1 918 . 1 1 76 76 LEU C C 13 174.659 0.300 . 1 . . . . 76 LEU C . 10087 1 919 . 1 1 76 76 LEU CA C 13 53.677 0.300 . 1 . . . . 76 LEU CA . 10087 1 920 . 1 1 76 76 LEU CB C 13 44.420 0.300 . 1 . . . . 76 LEU CB . 10087 1 921 . 1 1 76 76 LEU CG C 13 27.540 0.300 . 1 . . . . 76 LEU CG . 10087 1 922 . 1 1 76 76 LEU CD1 C 13 23.284 0.300 . 2 . . . . 76 LEU CD1 . 10087 1 923 . 1 1 76 76 LEU CD2 C 13 26.603 0.300 . 2 . . . . 76 LEU CD2 . 10087 1 924 . 1 1 76 76 LEU N N 15 131.408 0.300 . 1 . . . . 76 LEU N . 10087 1 925 . 1 1 77 77 SER H H 1 9.260 0.030 . 1 . . . . 77 SER H . 10087 1 926 . 1 1 77 77 SER HA H 1 4.593 0.030 . 1 . . . . 77 SER HA . 10087 1 927 . 1 1 77 77 SER HB2 H 1 3.767 0.030 . 1 . . . . 77 SER HB2 . 10087 1 928 . 1 1 77 77 SER HB3 H 1 3.767 0.030 . 1 . . . . 77 SER HB3 . 10087 1 929 . 1 1 77 77 SER C C 13 172.288 0.300 . 1 . . . . 77 SER C . 10087 1 930 . 1 1 77 77 SER CA C 13 56.699 0.300 . 1 . . . . 77 SER CA . 10087 1 931 . 1 1 77 77 SER CB C 13 65.839 0.300 . 1 . . . . 77 SER CB . 10087 1 932 . 1 1 77 77 SER N N 15 119.821 0.300 . 1 . . . . 77 SER N . 10087 1 933 . 1 1 78 78 LYS H H 1 8.528 0.030 . 1 . . . . 78 LYS H . 10087 1 934 . 1 1 78 78 LYS HA H 1 4.821 0.030 . 1 . . . . 78 LYS HA . 10087 1 935 . 1 1 78 78 LYS HB2 H 1 1.781 0.030 . 2 . . . . 78 LYS HB2 . 10087 1 936 . 1 1 78 78 LYS HB3 H 1 1.621 0.030 . 2 . . . . 78 LYS HB3 . 10087 1 937 . 1 1 78 78 LYS HG2 H 1 1.409 0.030 . 2 . . . . 78 LYS HG2 . 10087 1 938 . 1 1 78 78 LYS HE2 H 1 2.926 0.030 . 2 . . . . 78 LYS HE2 . 10087 1 939 . 1 1 78 78 LYS C C 13 177.161 0.300 . 1 . . . . 78 LYS C . 10087 1 940 . 1 1 78 78 LYS CA C 13 55.180 0.300 . 1 . . . . 78 LYS CA . 10087 1 941 . 1 1 78 78 LYS CB C 13 33.448 0.300 . 1 . . . . 78 LYS CB . 10087 1 942 . 1 1 78 78 LYS CG C 13 25.557 0.300 . 1 . . . . 78 LYS CG . 10087 1 943 . 1 1 78 78 LYS CD C 13 29.466 0.300 . 1 . . . . 78 LYS CD . 10087 1 944 . 1 1 78 78 LYS CE C 13 42.066 0.300 . 1 . . . . 78 LYS CE . 10087 1 945 . 1 1 78 78 LYS N N 15 120.233 0.300 . 1 . . . . 78 LYS N . 10087 1 946 . 1 1 79 79 LYS H H 1 8.610 0.030 . 1 . . . . 79 LYS H . 10087 1 947 . 1 1 79 79 LYS HA H 1 4.094 0.030 . 1 . . . . 79 LYS HA . 10087 1 948 . 1 1 79 79 LYS HB2 H 1 1.723 0.030 . 2 . . . . 79 LYS HB2 . 10087 1 949 . 1 1 79 79 LYS HB3 H 1 1.474 0.030 . 2 . . . . 79 LYS HB3 . 10087 1 950 . 1 1 79 79 LYS HG2 H 1 1.285 0.030 . 2 . . . . 79 LYS HG2 . 10087 1 951 . 1 1 79 79 LYS HG3 H 1 1.271 0.030 . 2 . . . . 79 LYS HG3 . 10087 1 952 . 1 1 79 79 LYS HD2 H 1 1.633 0.030 . 2 . . . . 79 LYS HD2 . 10087 1 953 . 1 1 79 79 LYS HE2 H 1 2.918 0.030 . 2 . . . . 79 LYS HE2 . 10087 1 954 . 1 1 79 79 LYS C C 13 176.423 0.300 . 1 . . . . 79 LYS C . 10087 1 955 . 1 1 79 79 LYS CA C 13 56.584 0.300 . 1 . . . . 79 LYS CA . 10087 1 956 . 1 1 79 79 LYS CB C 13 33.746 0.300 . 1 . . . . 79 LYS CB . 10087 1 957 . 1 1 79 79 LYS CG C 13 25.423 0.300 . 1 . . . . 79 LYS CG . 10087 1 958 . 1 1 79 79 LYS CD C 13 29.329 0.300 . 1 . . . . 79 LYS CD . 10087 1 959 . 1 1 79 79 LYS CE C 13 42.085 0.300 . 1 . . . . 79 LYS CE . 10087 1 960 . 1 1 79 79 LYS N N 15 126.732 0.300 . 1 . . . . 79 LYS N . 10087 1 961 . 1 1 80 80 LYS H H 1 8.607 0.030 . 1 . . . . 80 LYS H . 10087 1 962 . 1 1 80 80 LYS HA H 1 4.266 0.030 . 1 . . . . 80 LYS HA . 10087 1 963 . 1 1 80 80 LYS HB2 H 1 1.825 0.030 . 2 . . . . 80 LYS HB2 . 10087 1 964 . 1 1 80 80 LYS HB3 H 1 1.762 0.030 . 2 . . . . 80 LYS HB3 . 10087 1 965 . 1 1 80 80 LYS HG2 H 1 1.448 0.030 . 2 . . . . 80 LYS HG2 . 10087 1 966 . 1 1 80 80 LYS HD2 H 1 1.681 0.030 . 2 . . . . 80 LYS HD2 . 10087 1 967 . 1 1 80 80 LYS HE2 H 1 2.991 0.030 . 2 . . . . 80 LYS HE2 . 10087 1 968 . 1 1 80 80 LYS C C 13 177.246 0.300 . 1 . . . . 80 LYS C . 10087 1 969 . 1 1 80 80 LYS CA C 13 56.680 0.300 . 1 . . . . 80 LYS CA . 10087 1 970 . 1 1 80 80 LYS CB C 13 33.142 0.300 . 1 . . . . 80 LYS CB . 10087 1 971 . 1 1 80 80 LYS CG C 13 24.833 0.300 . 1 . . . . 80 LYS CG . 10087 1 972 . 1 1 80 80 LYS CD C 13 29.219 0.300 . 1 . . . . 80 LYS CD . 10087 1 973 . 1 1 80 80 LYS CE C 13 42.149 0.300 . 1 . . . . 80 LYS CE . 10087 1 974 . 1 1 80 80 LYS N N 15 124.532 0.300 . 1 . . . . 80 LYS N . 10087 1 975 . 1 1 83 83 GLY HA2 H 1 4.129 0.030 . 2 . . . . 83 GLY HA2 . 10087 1 976 . 1 1 83 83 GLY CA C 13 44.636 0.300 . 1 . . . . 83 GLY CA . 10087 1 977 . 1 1 84 84 PRO HA H 1 4.461 0.030 . 1 . . . . 84 PRO HA . 10087 1 978 . 1 1 84 84 PRO HB2 H 1 2.303 0.030 . 2 . . . . 84 PRO HB2 . 10087 1 979 . 1 1 84 84 PRO HB3 H 1 1.970 0.030 . 2 . . . . 84 PRO HB3 . 10087 1 980 . 1 1 84 84 PRO HG2 H 1 2.016 0.030 . 2 . . . . 84 PRO HG2 . 10087 1 981 . 1 1 84 84 PRO HD2 H 1 3.620 0.030 . 2 . . . . 84 PRO HD2 . 10087 1 982 . 1 1 84 84 PRO CA C 13 63.320 0.300 . 1 . . . . 84 PRO CA . 10087 1 983 . 1 1 84 84 PRO CB C 13 32.194 0.300 . 1 . . . . 84 PRO CB . 10087 1 984 . 1 1 84 84 PRO CG C 13 27.102 0.300 . 1 . . . . 84 PRO CG . 10087 1 985 . 1 1 84 84 PRO CD C 13 49.861 0.300 . 1 . . . . 84 PRO CD . 10087 1 stop_ save_