data_11110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11110 _Entry.Title ; The solution structure of the 33rd fibronectin type III domain of human Tenascin-X ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11110 2 S. Koshiba . . . 11110 3 M. Inoue . . . 11110 4 T. Kigawa . . . 11110 5 S. Yokoyama . . . 11110 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 11110 '15N chemical shifts' 95 11110 '1H chemical shifts' 674 11110 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-02-18 2010-02-19 original author . 11110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CUM 'BMRB Entry Tracking System' 11110 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11110 _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 ; The solution structure of the 33rd fibronectin type III domain of human Tenascin-X ; _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 . . . 11110 1 2 S. Koshiba . . . 11110 1 3 M. Inoue . . . 11110 1 4 T. Kigawa . . . 11110 1 5 S. Yokoyama . . . 11110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11110 _Assembly.ID 1 _Assembly.Name Tenascin-X _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11110 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2cum . . . . . . 11110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fn3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLEAPRDLEAKEVT PRTALLTWTEPPVRPAGYLL SFHTPGGQTQEILLPGGITS HQLLGLFPSTSYNARLQAMW GQSLLPPVSTSFTTGGLRIS GPSSG ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2CUM . "The Solution Structure Of The 33rd Fibronectin Type Iii Domain Of Human Tenascin-X" . . . . . 100.00 105 100.00 100.00 2.45e-65 . . . . 11110 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11110 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 . 11110 1 2 . SER . 11110 1 3 . SER . 11110 1 4 . GLY . 11110 1 5 . SER . 11110 1 6 . SER . 11110 1 7 . GLY . 11110 1 8 . LEU . 11110 1 9 . GLU . 11110 1 10 . ALA . 11110 1 11 . PRO . 11110 1 12 . ARG . 11110 1 13 . ASP . 11110 1 14 . LEU . 11110 1 15 . GLU . 11110 1 16 . ALA . 11110 1 17 . LYS . 11110 1 18 . GLU . 11110 1 19 . VAL . 11110 1 20 . THR . 11110 1 21 . PRO . 11110 1 22 . ARG . 11110 1 23 . THR . 11110 1 24 . ALA . 11110 1 25 . LEU . 11110 1 26 . LEU . 11110 1 27 . THR . 11110 1 28 . TRP . 11110 1 29 . THR . 11110 1 30 . GLU . 11110 1 31 . PRO . 11110 1 32 . PRO . 11110 1 33 . VAL . 11110 1 34 . ARG . 11110 1 35 . PRO . 11110 1 36 . ALA . 11110 1 37 . GLY . 11110 1 38 . TYR . 11110 1 39 . LEU . 11110 1 40 . LEU . 11110 1 41 . SER . 11110 1 42 . PHE . 11110 1 43 . HIS . 11110 1 44 . THR . 11110 1 45 . PRO . 11110 1 46 . GLY . 11110 1 47 . GLY . 11110 1 48 . GLN . 11110 1 49 . THR . 11110 1 50 . GLN . 11110 1 51 . GLU . 11110 1 52 . ILE . 11110 1 53 . LEU . 11110 1 54 . LEU . 11110 1 55 . PRO . 11110 1 56 . GLY . 11110 1 57 . GLY . 11110 1 58 . ILE . 11110 1 59 . THR . 11110 1 60 . SER . 11110 1 61 . HIS . 11110 1 62 . GLN . 11110 1 63 . LEU . 11110 1 64 . LEU . 11110 1 65 . GLY . 11110 1 66 . LEU . 11110 1 67 . PHE . 11110 1 68 . PRO . 11110 1 69 . SER . 11110 1 70 . THR . 11110 1 71 . SER . 11110 1 72 . TYR . 11110 1 73 . ASN . 11110 1 74 . ALA . 11110 1 75 . ARG . 11110 1 76 . LEU . 11110 1 77 . GLN . 11110 1 78 . ALA . 11110 1 79 . MET . 11110 1 80 . TRP . 11110 1 81 . GLY . 11110 1 82 . GLN . 11110 1 83 . SER . 11110 1 84 . LEU . 11110 1 85 . LEU . 11110 1 86 . PRO . 11110 1 87 . PRO . 11110 1 88 . VAL . 11110 1 89 . SER . 11110 1 90 . THR . 11110 1 91 . SER . 11110 1 92 . PHE . 11110 1 93 . THR . 11110 1 94 . THR . 11110 1 95 . GLY . 11110 1 96 . GLY . 11110 1 97 . LEU . 11110 1 98 . ARG . 11110 1 99 . ILE . 11110 1 100 . SER . 11110 1 101 . GLY . 11110 1 102 . PRO . 11110 1 103 . SER . 11110 1 104 . SER . 11110 1 105 . GLY . 11110 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 11110 1 . SER 2 2 11110 1 . SER 3 3 11110 1 . GLY 4 4 11110 1 . SER 5 5 11110 1 . SER 6 6 11110 1 . GLY 7 7 11110 1 . LEU 8 8 11110 1 . GLU 9 9 11110 1 . ALA 10 10 11110 1 . PRO 11 11 11110 1 . ARG 12 12 11110 1 . ASP 13 13 11110 1 . LEU 14 14 11110 1 . GLU 15 15 11110 1 . ALA 16 16 11110 1 . LYS 17 17 11110 1 . GLU 18 18 11110 1 . VAL 19 19 11110 1 . THR 20 20 11110 1 . PRO 21 21 11110 1 . ARG 22 22 11110 1 . THR 23 23 11110 1 . ALA 24 24 11110 1 . LEU 25 25 11110 1 . LEU 26 26 11110 1 . THR 27 27 11110 1 . TRP 28 28 11110 1 . THR 29 29 11110 1 . GLU 30 30 11110 1 . PRO 31 31 11110 1 . PRO 32 32 11110 1 . VAL 33 33 11110 1 . ARG 34 34 11110 1 . PRO 35 35 11110 1 . ALA 36 36 11110 1 . GLY 37 37 11110 1 . TYR 38 38 11110 1 . LEU 39 39 11110 1 . LEU 40 40 11110 1 . SER 41 41 11110 1 . PHE 42 42 11110 1 . HIS 43 43 11110 1 . THR 44 44 11110 1 . PRO 45 45 11110 1 . GLY 46 46 11110 1 . GLY 47 47 11110 1 . GLN 48 48 11110 1 . THR 49 49 11110 1 . GLN 50 50 11110 1 . GLU 51 51 11110 1 . ILE 52 52 11110 1 . LEU 53 53 11110 1 . LEU 54 54 11110 1 . PRO 55 55 11110 1 . GLY 56 56 11110 1 . GLY 57 57 11110 1 . ILE 58 58 11110 1 . THR 59 59 11110 1 . SER 60 60 11110 1 . HIS 61 61 11110 1 . GLN 62 62 11110 1 . LEU 63 63 11110 1 . LEU 64 64 11110 1 . GLY 65 65 11110 1 . LEU 66 66 11110 1 . PHE 67 67 11110 1 . PRO 68 68 11110 1 . SER 69 69 11110 1 . THR 70 70 11110 1 . SER 71 71 11110 1 . TYR 72 72 11110 1 . ASN 73 73 11110 1 . ALA 74 74 11110 1 . ARG 75 75 11110 1 . LEU 76 76 11110 1 . GLN 77 77 11110 1 . ALA 78 78 11110 1 . MET 79 79 11110 1 . TRP 80 80 11110 1 . GLY 81 81 11110 1 . GLN 82 82 11110 1 . SER 83 83 11110 1 . LEU 84 84 11110 1 . LEU 85 85 11110 1 . PRO 86 86 11110 1 . PRO 87 87 11110 1 . VAL 88 88 11110 1 . SER 89 89 11110 1 . THR 90 90 11110 1 . SER 91 91 11110 1 . PHE 92 92 11110 1 . THR 93 93 11110 1 . THR 94 94 11110 1 . GLY 95 95 11110 1 . GLY 96 96 11110 1 . LEU 97 97 11110 1 . ARG 98 98 11110 1 . ILE 99 99 11110 1 . SER 100 100 11110 1 . GLY 101 101 11110 1 . PRO 102 102 11110 1 . SER 103 103 11110 1 . SER 104 104 11110 1 . GLY 105 105 11110 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 11110 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11110 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 11110 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050207-05 . . . . . . 11110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11110 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM FN3 domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11110 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11110 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11110 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11110 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11110 1 6 H2O . . . . . . solvent 90 . . % . . . . 11110 1 7 D2O . . . . . . solvent 10 . . % . . . . 11110 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 11110 _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 11110 1 pH 7.0 0.05 pH 11110 1 pressure 1 0.001 atm 11110 1 temperature 296 0.1 K 11110 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11110 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11110 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11110 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11110 _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.' . . 11110 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11110 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11110 _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.' . . 11110 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11110 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11110 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11110 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11110 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11110 _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.' . . 11110 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11110 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 11110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11110 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11110 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11110 _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 15N-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11110 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11110 _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 . . . . . . . . . 11110 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11110 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11110 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 11110 _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 15N-SEPARATED NOESY' 1 $sample_1 isotropic 11110 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11110 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11110 1 2 $NMRPipe . . 11110 1 3 $NMRVIEW . . 11110 1 4 $KUJIRA . . 11110 1 5 $CYANA . . 11110 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 4.367 0.030 . 1 . . . . 6 SER HA . 11110 1 2 . 1 1 6 6 SER HB2 H 1 3.821 0.030 . 2 . . . . 6 SER HB2 . 11110 1 3 . 1 1 6 6 SER C C 13 174.925 0.300 . 1 . . . . 6 SER C . 11110 1 4 . 1 1 6 6 SER CA C 13 58.832 0.300 . 1 . . . . 6 SER CA . 11110 1 5 . 1 1 6 6 SER CB C 13 63.792 0.300 . 1 . . . . 6 SER CB . 11110 1 6 . 1 1 7 7 GLY H H 1 8.368 0.030 . 1 . . . . 7 GLY H . 11110 1 7 . 1 1 7 7 GLY HA2 H 1 3.862 0.030 . 2 . . . . 7 GLY HA2 . 11110 1 8 . 1 1 7 7 GLY HA3 H 1 3.809 0.030 . 2 . . . . 7 GLY HA3 . 11110 1 9 . 1 1 7 7 GLY C C 13 173.784 0.300 . 1 . . . . 7 GLY C . 11110 1 10 . 1 1 7 7 GLY CA C 13 45.384 0.300 . 1 . . . . 7 GLY CA . 11110 1 11 . 1 1 7 7 GLY N N 15 110.594 0.300 . 1 . . . . 7 GLY N . 11110 1 12 . 1 1 8 8 LEU H H 1 7.705 0.030 . 1 . . . . 8 LEU H . 11110 1 13 . 1 1 8 8 LEU HA H 1 3.970 0.030 . 1 . . . . 8 LEU HA . 11110 1 14 . 1 1 8 8 LEU HB2 H 1 1.347 0.030 . 2 . . . . 8 LEU HB2 . 11110 1 15 . 1 1 8 8 LEU HB3 H 1 0.971 0.030 . 2 . . . . 8 LEU HB3 . 11110 1 16 . 1 1 8 8 LEU HD11 H 1 0.517 0.030 . 1 . . . . 8 LEU HD1 . 11110 1 17 . 1 1 8 8 LEU HD12 H 1 0.517 0.030 . 1 . . . . 8 LEU HD1 . 11110 1 18 . 1 1 8 8 LEU HD13 H 1 0.517 0.030 . 1 . . . . 8 LEU HD1 . 11110 1 19 . 1 1 8 8 LEU HD21 H 1 0.325 0.030 . 1 . . . . 8 LEU HD2 . 11110 1 20 . 1 1 8 8 LEU HD22 H 1 0.325 0.030 . 1 . . . . 8 LEU HD2 . 11110 1 21 . 1 1 8 8 LEU HD23 H 1 0.325 0.030 . 1 . . . . 8 LEU HD2 . 11110 1 22 . 1 1 8 8 LEU HG H 1 1.222 0.030 . 1 . . . . 8 LEU HG . 11110 1 23 . 1 1 8 8 LEU C C 13 176.228 0.300 . 1 . . . . 8 LEU C . 11110 1 24 . 1 1 8 8 LEU CA C 13 54.952 0.300 . 1 . . . . 8 LEU CA . 11110 1 25 . 1 1 8 8 LEU CB C 13 41.523 0.300 . 1 . . . . 8 LEU CB . 11110 1 26 . 1 1 8 8 LEU CD1 C 13 24.623 0.300 . 2 . . . . 8 LEU CD1 . 11110 1 27 . 1 1 8 8 LEU CD2 C 13 22.529 0.300 . 2 . . . . 8 LEU CD2 . 11110 1 28 . 1 1 8 8 LEU CG C 13 26.546 0.300 . 1 . . . . 8 LEU CG . 11110 1 29 . 1 1 8 8 LEU N N 15 121.049 0.300 . 1 . . . . 8 LEU N . 11110 1 30 . 1 1 9 9 GLU H H 1 7.899 0.030 . 1 . . . . 9 GLU H . 11110 1 31 . 1 1 9 9 GLU HA H 1 4.420 0.030 . 1 . . . . 9 GLU HA . 11110 1 32 . 1 1 9 9 GLU HB2 H 1 2.054 0.030 . 2 . . . . 9 GLU HB2 . 11110 1 33 . 1 1 9 9 GLU HB3 H 1 1.861 0.030 . 2 . . . . 9 GLU HB3 . 11110 1 34 . 1 1 9 9 GLU HG2 H 1 2.135 0.030 . 1 . . . . 9 GLU HG2 . 11110 1 35 . 1 1 9 9 GLU HG3 H 1 2.135 0.030 . 1 . . . . 9 GLU HG3 . 11110 1 36 . 1 1 9 9 GLU C C 13 174.481 0.300 . 1 . . . . 9 GLU C . 11110 1 37 . 1 1 9 9 GLU CA C 13 55.676 0.300 . 1 . . . . 9 GLU CA . 11110 1 38 . 1 1 9 9 GLU CB C 13 31.965 0.300 . 1 . . . . 9 GLU CB . 11110 1 39 . 1 1 9 9 GLU CG C 13 36.241 0.300 . 1 . . . . 9 GLU CG . 11110 1 40 . 1 1 9 9 GLU N N 15 120.360 0.300 . 1 . . . . 9 GLU N . 11110 1 41 . 1 1 10 10 ALA H H 1 8.088 0.030 . 1 . . . . 10 ALA H . 11110 1 42 . 1 1 10 10 ALA HA H 1 4.631 0.030 . 1 . . . . 10 ALA HA . 11110 1 43 . 1 1 10 10 ALA HB1 H 1 1.494 0.030 . 1 . . . . 10 ALA HB . 11110 1 44 . 1 1 10 10 ALA HB2 H 1 1.494 0.030 . 1 . . . . 10 ALA HB . 11110 1 45 . 1 1 10 10 ALA HB3 H 1 1.494 0.030 . 1 . . . . 10 ALA HB . 11110 1 46 . 1 1 10 10 ALA C C 13 175.713 0.300 . 1 . . . . 10 ALA C . 11110 1 47 . 1 1 10 10 ALA CA C 13 50.249 0.300 . 1 . . . . 10 ALA CA . 11110 1 48 . 1 1 10 10 ALA CB C 13 19.118 0.300 . 1 . . . . 10 ALA CB . 11110 1 49 . 1 1 10 10 ALA N N 15 122.148 0.300 . 1 . . . . 10 ALA N . 11110 1 50 . 1 1 11 11 PRO HA H 1 4.641 0.030 . 1 . . . . 11 PRO HA . 11110 1 51 . 1 1 11 11 PRO HB2 H 1 2.389 0.030 . 2 . . . . 11 PRO HB2 . 11110 1 52 . 1 1 11 11 PRO HB3 H 1 1.788 0.030 . 2 . . . . 11 PRO HB3 . 11110 1 53 . 1 1 11 11 PRO HD2 H 1 3.962 0.030 . 2 . . . . 11 PRO HD2 . 11110 1 54 . 1 1 11 11 PRO HD3 H 1 3.727 0.030 . 2 . . . . 11 PRO HD3 . 11110 1 55 . 1 1 11 11 PRO HG2 H 1 1.845 0.030 . 2 . . . . 11 PRO HG2 . 11110 1 56 . 1 1 11 11 PRO HG3 H 1 1.778 0.030 . 2 . . . . 11 PRO HG3 . 11110 1 57 . 1 1 11 11 PRO C C 13 174.097 0.300 . 1 . . . . 11 PRO C . 11110 1 58 . 1 1 11 11 PRO CA C 13 62.733 0.300 . 1 . . . . 11 PRO CA . 11110 1 59 . 1 1 11 11 PRO CB C 13 33.022 0.300 . 1 . . . . 11 PRO CB . 11110 1 60 . 1 1 11 11 PRO CD C 13 50.253 0.300 . 1 . . . . 11 PRO CD . 11110 1 61 . 1 1 11 11 PRO CG C 13 27.826 0.300 . 1 . . . . 11 PRO CG . 11110 1 62 . 1 1 12 12 ARG H H 1 8.268 0.030 . 1 . . . . 12 ARG H . 11110 1 63 . 1 1 12 12 ARG HA H 1 4.771 0.030 . 1 . . . . 12 ARG HA . 11110 1 64 . 1 1 12 12 ARG HB2 H 1 1.889 0.030 . 2 . . . . 12 ARG HB2 . 11110 1 65 . 1 1 12 12 ARG HB3 H 1 1.655 0.030 . 2 . . . . 12 ARG HB3 . 11110 1 66 . 1 1 12 12 ARG HD2 H 1 3.224 0.030 . 1 . . . . 12 ARG HD2 . 11110 1 67 . 1 1 12 12 ARG HD3 H 1 3.224 0.030 . 1 . . . . 12 ARG HD3 . 11110 1 68 . 1 1 12 12 ARG HE H 1 7.330 0.030 . 1 . . . . 12 ARG HE . 11110 1 69 . 1 1 12 12 ARG HG2 H 1 1.639 0.030 . 1 . . . . 12 ARG HG2 . 11110 1 70 . 1 1 12 12 ARG HG3 H 1 1.639 0.030 . 1 . . . . 12 ARG HG3 . 11110 1 71 . 1 1 12 12 ARG C C 13 174.774 0.300 . 1 . . . . 12 ARG C . 11110 1 72 . 1 1 12 12 ARG CA C 13 54.630 0.300 . 1 . . . . 12 ARG CA . 11110 1 73 . 1 1 12 12 ARG CB C 13 33.826 0.300 . 1 . . . . 12 ARG CB . 11110 1 74 . 1 1 12 12 ARG CD C 13 43.564 0.300 . 1 . . . . 12 ARG CD . 11110 1 75 . 1 1 12 12 ARG CG C 13 27.236 0.300 . 1 . . . . 12 ARG CG . 11110 1 76 . 1 1 12 12 ARG N N 15 116.275 0.300 . 1 . . . . 12 ARG N . 11110 1 77 . 1 1 12 12 ARG NE N 15 84.958 0.300 . 1 . . . . 12 ARG NE . 11110 1 78 . 1 1 13 13 ASP H H 1 8.717 0.030 . 1 . . . . 13 ASP H . 11110 1 79 . 1 1 13 13 ASP HA H 1 4.282 0.030 . 1 . . . . 13 ASP HA . 11110 1 80 . 1 1 13 13 ASP HB2 H 1 2.893 0.030 . 2 . . . . 13 ASP HB2 . 11110 1 81 . 1 1 13 13 ASP HB3 H 1 2.775 0.030 . 2 . . . . 13 ASP HB3 . 11110 1 82 . 1 1 13 13 ASP C C 13 174.642 0.300 . 1 . . . . 13 ASP C . 11110 1 83 . 1 1 13 13 ASP CA C 13 54.965 0.300 . 1 . . . . 13 ASP CA . 11110 1 84 . 1 1 13 13 ASP CB C 13 39.498 0.300 . 1 . . . . 13 ASP CB . 11110 1 85 . 1 1 13 13 ASP N N 15 115.618 0.300 . 1 . . . . 13 ASP N . 11110 1 86 . 1 1 14 14 LEU H H 1 7.704 0.030 . 1 . . . . 14 LEU H . 11110 1 87 . 1 1 14 14 LEU HA H 1 5.229 0.030 . 1 . . . . 14 LEU HA . 11110 1 88 . 1 1 14 14 LEU HB2 H 1 1.704 0.030 . 2 . . . . 14 LEU HB2 . 11110 1 89 . 1 1 14 14 LEU HB3 H 1 1.008 0.030 . 2 . . . . 14 LEU HB3 . 11110 1 90 . 1 1 14 14 LEU HD11 H 1 0.933 0.030 . 1 . . . . 14 LEU HD1 . 11110 1 91 . 1 1 14 14 LEU HD12 H 1 0.933 0.030 . 1 . . . . 14 LEU HD1 . 11110 1 92 . 1 1 14 14 LEU HD13 H 1 0.933 0.030 . 1 . . . . 14 LEU HD1 . 11110 1 93 . 1 1 14 14 LEU HD21 H 1 0.607 0.030 . 1 . . . . 14 LEU HD2 . 11110 1 94 . 1 1 14 14 LEU HD22 H 1 0.607 0.030 . 1 . . . . 14 LEU HD2 . 11110 1 95 . 1 1 14 14 LEU HD23 H 1 0.607 0.030 . 1 . . . . 14 LEU HD2 . 11110 1 96 . 1 1 14 14 LEU HG H 1 1.288 0.030 . 1 . . . . 14 LEU HG . 11110 1 97 . 1 1 14 14 LEU C C 13 176.562 0.300 . 1 . . . . 14 LEU C . 11110 1 98 . 1 1 14 14 LEU CA C 13 55.634 0.300 . 1 . . . . 14 LEU CA . 11110 1 99 . 1 1 14 14 LEU CB C 13 42.664 0.300 . 1 . . . . 14 LEU CB . 11110 1 100 . 1 1 14 14 LEU CD1 C 13 24.547 0.300 . 2 . . . . 14 LEU CD1 . 11110 1 101 . 1 1 14 14 LEU CD2 C 13 27.160 0.300 . 2 . . . . 14 LEU CD2 . 11110 1 102 . 1 1 14 14 LEU CG C 13 27.347 0.300 . 1 . . . . 14 LEU CG . 11110 1 103 . 1 1 14 14 LEU N N 15 119.530 0.300 . 1 . . . . 14 LEU N . 11110 1 104 . 1 1 15 15 GLU H H 1 9.204 0.030 . 1 . . . . 15 GLU H . 11110 1 105 . 1 1 15 15 GLU HA H 1 4.744 0.030 . 1 . . . . 15 GLU HA . 11110 1 106 . 1 1 15 15 GLU HB2 H 1 1.871 0.030 . 1 . . . . 15 GLU HB2 . 11110 1 107 . 1 1 15 15 GLU HB3 H 1 1.871 0.030 . 1 . . . . 15 GLU HB3 . 11110 1 108 . 1 1 15 15 GLU HG2 H 1 2.116 0.030 . 1 . . . . 15 GLU HG2 . 11110 1 109 . 1 1 15 15 GLU HG3 H 1 2.116 0.030 . 1 . . . . 15 GLU HG3 . 11110 1 110 . 1 1 15 15 GLU C C 13 173.743 0.300 . 1 . . . . 15 GLU C . 11110 1 111 . 1 1 15 15 GLU CA C 13 55.145 0.300 . 1 . . . . 15 GLU CA . 11110 1 112 . 1 1 15 15 GLU CB C 13 34.186 0.300 . 1 . . . . 15 GLU CB . 11110 1 113 . 1 1 15 15 GLU CG C 13 35.863 0.300 . 1 . . . . 15 GLU CG . 11110 1 114 . 1 1 15 15 GLU N N 15 126.921 0.300 . 1 . . . . 15 GLU N . 11110 1 115 . 1 1 16 16 ALA H H 1 8.812 0.030 . 1 . . . . 16 ALA H . 11110 1 116 . 1 1 16 16 ALA HA H 1 4.883 0.030 . 1 . . . . 16 ALA HA . 11110 1 117 . 1 1 16 16 ALA HB1 H 1 0.648 0.030 . 1 . . . . 16 ALA HB . 11110 1 118 . 1 1 16 16 ALA HB2 H 1 0.648 0.030 . 1 . . . . 16 ALA HB . 11110 1 119 . 1 1 16 16 ALA HB3 H 1 0.648 0.030 . 1 . . . . 16 ALA HB . 11110 1 120 . 1 1 16 16 ALA C C 13 175.824 0.300 . 1 . . . . 16 ALA C . 11110 1 121 . 1 1 16 16 ALA CA C 13 50.302 0.300 . 1 . . . . 16 ALA CA . 11110 1 122 . 1 1 16 16 ALA CB C 13 19.101 0.300 . 1 . . . . 16 ALA CB . 11110 1 123 . 1 1 16 16 ALA N N 15 124.610 0.300 . 1 . . . . 16 ALA N . 11110 1 124 . 1 1 17 17 LYS H H 1 9.182 0.030 . 1 . . . . 17 LYS H . 11110 1 125 . 1 1 17 17 LYS HA H 1 4.439 0.030 . 1 . . . . 17 LYS HA . 11110 1 126 . 1 1 17 17 LYS HB2 H 1 1.788 0.030 . 2 . . . . 17 LYS HB2 . 11110 1 127 . 1 1 17 17 LYS HB3 H 1 1.683 0.030 . 2 . . . . 17 LYS HB3 . 11110 1 128 . 1 1 17 17 LYS HD2 H 1 1.579 0.030 . 1 . . . . 17 LYS HD2 . 11110 1 129 . 1 1 17 17 LYS HD3 H 1 1.579 0.030 . 1 . . . . 17 LYS HD3 . 11110 1 130 . 1 1 17 17 LYS HE2 H 1 2.850 0.030 . 2 . . . . 17 LYS HE2 . 11110 1 131 . 1 1 17 17 LYS HE3 H 1 2.833 0.030 . 2 . . . . 17 LYS HE3 . 11110 1 132 . 1 1 17 17 LYS HG2 H 1 1.306 0.030 . 1 . . . . 17 LYS HG2 . 11110 1 133 . 1 1 17 17 LYS HG3 H 1 1.306 0.030 . 1 . . . . 17 LYS HG3 . 11110 1 134 . 1 1 17 17 LYS C C 13 174.289 0.300 . 1 . . . . 17 LYS C . 11110 1 135 . 1 1 17 17 LYS CA C 13 54.838 0.300 . 1 . . . . 17 LYS CA . 11110 1 136 . 1 1 17 17 LYS CB C 13 35.395 0.300 . 1 . . . . 17 LYS CB . 11110 1 137 . 1 1 17 17 LYS CD C 13 28.913 0.300 . 1 . . . . 17 LYS CD . 11110 1 138 . 1 1 17 17 LYS CE C 13 42.022 0.300 . 1 . . . . 17 LYS CE . 11110 1 139 . 1 1 17 17 LYS CG C 13 24.744 0.300 . 1 . . . . 17 LYS CG . 11110 1 140 . 1 1 17 17 LYS N N 15 124.470 0.300 . 1 . . . . 17 LYS N . 11110 1 141 . 1 1 18 18 GLU H H 1 8.319 0.030 . 1 . . . . 18 GLU H . 11110 1 142 . 1 1 18 18 GLU HA H 1 3.925 0.030 . 1 . . . . 18 GLU HA . 11110 1 143 . 1 1 18 18 GLU HB2 H 1 1.933 0.030 . 2 . . . . 18 GLU HB2 . 11110 1 144 . 1 1 18 18 GLU HB3 H 1 1.806 0.030 . 2 . . . . 18 GLU HB3 . 11110 1 145 . 1 1 18 18 GLU HG2 H 1 2.070 0.030 . 1 . . . . 18 GLU HG2 . 11110 1 146 . 1 1 18 18 GLU HG3 H 1 2.070 0.030 . 1 . . . . 18 GLU HG3 . 11110 1 147 . 1 1 18 18 GLU C C 13 175.097 0.300 . 1 . . . . 18 GLU C . 11110 1 148 . 1 1 18 18 GLU CA C 13 55.852 0.300 . 1 . . . . 18 GLU CA . 11110 1 149 . 1 1 18 18 GLU CB C 13 28.599 0.300 . 1 . . . . 18 GLU CB . 11110 1 150 . 1 1 18 18 GLU CG C 13 36.144 0.300 . 1 . . . . 18 GLU CG . 11110 1 151 . 1 1 18 18 GLU N N 15 115.610 0.300 . 1 . . . . 18 GLU N . 11110 1 152 . 1 1 19 19 VAL H H 1 8.310 0.030 . 1 . . . . 19 VAL H . 11110 1 153 . 1 1 19 19 VAL HA H 1 4.155 0.030 . 1 . . . . 19 VAL HA . 11110 1 154 . 1 1 19 19 VAL HB H 1 2.006 0.030 . 1 . . . . 19 VAL HB . 11110 1 155 . 1 1 19 19 VAL HG11 H 1 1.117 0.030 . 1 . . . . 19 VAL HG1 . 11110 1 156 . 1 1 19 19 VAL HG12 H 1 1.117 0.030 . 1 . . . . 19 VAL HG1 . 11110 1 157 . 1 1 19 19 VAL HG13 H 1 1.117 0.030 . 1 . . . . 19 VAL HG1 . 11110 1 158 . 1 1 19 19 VAL HG21 H 1 0.578 0.030 . 1 . . . . 19 VAL HG2 . 11110 1 159 . 1 1 19 19 VAL HG22 H 1 0.578 0.030 . 1 . . . . 19 VAL HG2 . 11110 1 160 . 1 1 19 19 VAL HG23 H 1 0.578 0.030 . 1 . . . . 19 VAL HG2 . 11110 1 161 . 1 1 19 19 VAL C C 13 176.955 0.300 . 1 . . . . 19 VAL C . 11110 1 162 . 1 1 19 19 VAL CA C 13 63.576 0.300 . 1 . . . . 19 VAL CA . 11110 1 163 . 1 1 19 19 VAL CB C 13 32.357 0.300 . 1 . . . . 19 VAL CB . 11110 1 164 . 1 1 19 19 VAL CG1 C 13 23.163 0.300 . 2 . . . . 19 VAL CG1 . 11110 1 165 . 1 1 19 19 VAL CG2 C 13 21.537 0.300 . 2 . . . . 19 VAL CG2 . 11110 1 166 . 1 1 19 19 VAL N N 15 120.167 0.300 . 1 . . . . 19 VAL N . 11110 1 167 . 1 1 20 20 THR H H 1 9.056 0.030 . 1 . . . . 20 THR H . 11110 1 168 . 1 1 20 20 THR HA H 1 5.011 0.030 . 1 . . . . 20 THR HA . 11110 1 169 . 1 1 20 20 THR HB H 1 4.756 0.030 . 1 . . . . 20 THR HB . 11110 1 170 . 1 1 20 20 THR HG21 H 1 1.105 0.030 . 1 . . . . 20 THR HG2 . 11110 1 171 . 1 1 20 20 THR HG22 H 1 1.105 0.030 . 1 . . . . 20 THR HG2 . 11110 1 172 . 1 1 20 20 THR HG23 H 1 1.105 0.030 . 1 . . . . 20 THR HG2 . 11110 1 173 . 1 1 20 20 THR C C 13 173.572 0.300 . 1 . . . . 20 THR C . 11110 1 174 . 1 1 20 20 THR CA C 13 60.987 0.300 . 1 . . . . 20 THR CA . 11110 1 175 . 1 1 20 20 THR CB C 13 68.583 0.300 . 1 . . . . 20 THR CB . 11110 1 176 . 1 1 20 20 THR CG2 C 13 20.252 0.300 . 1 . . . . 20 THR CG2 . 11110 1 177 . 1 1 20 20 THR N N 15 124.912 0.300 . 1 . . . . 20 THR N . 11110 1 178 . 1 1 21 21 PRO HA H 1 4.776 0.030 . 1 . . . . 21 PRO HA . 11110 1 179 . 1 1 21 21 PRO HB2 H 1 2.159 0.030 . 2 . . . . 21 PRO HB2 . 11110 1 180 . 1 1 21 21 PRO HB3 H 1 1.740 0.030 . 2 . . . . 21 PRO HB3 . 11110 1 181 . 1 1 21 21 PRO HD2 H 1 3.679 0.030 . 2 . . . . 21 PRO HD2 . 11110 1 182 . 1 1 21 21 PRO HD3 H 1 3.949 0.030 . 2 . . . . 21 PRO HD3 . 11110 1 183 . 1 1 21 21 PRO HG2 H 1 2.092 0.030 . 2 . . . . 21 PRO HG2 . 11110 1 184 . 1 1 21 21 PRO HG3 H 1 1.597 0.030 . 2 . . . . 21 PRO HG3 . 11110 1 185 . 1 1 21 21 PRO C C 13 174.501 0.300 . 1 . . . . 21 PRO C . 11110 1 186 . 1 1 21 21 PRO CA C 13 65.801 0.300 . 1 . . . . 21 PRO CA . 11110 1 187 . 1 1 21 21 PRO CB C 13 32.422 0.300 . 1 . . . . 21 PRO CB . 11110 1 188 . 1 1 21 21 PRO CD C 13 51.347 0.300 . 1 . . . . 21 PRO CD . 11110 1 189 . 1 1 21 21 PRO CG C 13 29.143 0.300 . 1 . . . . 21 PRO CG . 11110 1 190 . 1 1 22 22 ARG H H 1 6.758 0.030 . 1 . . . . 22 ARG H . 11110 1 191 . 1 1 22 22 ARG HA H 1 4.712 0.030 . 1 . . . . 22 ARG HA . 11110 1 192 . 1 1 22 22 ARG HB2 H 1 2.126 0.030 . 2 . . . . 22 ARG HB2 . 11110 1 193 . 1 1 22 22 ARG HB3 H 1 1.510 0.030 . 2 . . . . 22 ARG HB3 . 11110 1 194 . 1 1 22 22 ARG HD2 H 1 3.248 0.030 . 2 . . . . 22 ARG HD2 . 11110 1 195 . 1 1 22 22 ARG HD3 H 1 3.102 0.030 . 2 . . . . 22 ARG HD3 . 11110 1 196 . 1 1 22 22 ARG HG2 H 1 1.464 0.030 . 2 . . . . 22 ARG HG2 . 11110 1 197 . 1 1 22 22 ARG HG3 H 1 1.609 0.030 . 2 . . . . 22 ARG HG3 . 11110 1 198 . 1 1 22 22 ARG C C 13 176.057 0.300 . 1 . . . . 22 ARG C . 11110 1 199 . 1 1 22 22 ARG CA C 13 54.115 0.300 . 1 . . . . 22 ARG CA . 11110 1 200 . 1 1 22 22 ARG CB C 13 34.069 0.300 . 1 . . . . 22 ARG CB . 11110 1 201 . 1 1 22 22 ARG CD C 13 43.432 0.300 . 1 . . . . 22 ARG CD . 11110 1 202 . 1 1 22 22 ARG CG C 13 27.864 0.300 . 1 . . . . 22 ARG CG . 11110 1 203 . 1 1 22 22 ARG N N 15 102.782 0.300 . 1 . . . . 22 ARG N . 11110 1 204 . 1 1 23 23 THR H H 1 7.397 0.030 . 1 . . . . 23 THR H . 11110 1 205 . 1 1 23 23 THR HA H 1 5.006 0.030 . 1 . . . . 23 THR HA . 11110 1 206 . 1 1 23 23 THR HB H 1 4.135 0.030 . 1 . . . . 23 THR HB . 11110 1 207 . 1 1 23 23 THR HG21 H 1 1.052 0.030 . 1 . . . . 23 THR HG2 . 11110 1 208 . 1 1 23 23 THR HG22 H 1 1.052 0.030 . 1 . . . . 23 THR HG2 . 11110 1 209 . 1 1 23 23 THR HG23 H 1 1.052 0.030 . 1 . . . . 23 THR HG2 . 11110 1 210 . 1 1 23 23 THR C C 13 171.491 0.300 . 1 . . . . 23 THR C . 11110 1 211 . 1 1 23 23 THR CA C 13 59.253 0.300 . 1 . . . . 23 THR CA . 11110 1 212 . 1 1 23 23 THR CB C 13 73.001 0.300 . 1 . . . . 23 THR CB . 11110 1 213 . 1 1 23 23 THR CG2 C 13 22.139 0.300 . 1 . . . . 23 THR CG2 . 11110 1 214 . 1 1 23 23 THR N N 15 109.608 0.300 . 1 . . . . 23 THR N . 11110 1 215 . 1 1 24 24 ALA H H 1 7.803 0.030 . 1 . . . . 24 ALA H . 11110 1 216 . 1 1 24 24 ALA HA H 1 4.335 0.030 . 1 . . . . 24 ALA HA . 11110 1 217 . 1 1 24 24 ALA HB1 H 1 0.539 0.030 . 1 . . . . 24 ALA HB . 11110 1 218 . 1 1 24 24 ALA HB2 H 1 0.539 0.030 . 1 . . . . 24 ALA HB . 11110 1 219 . 1 1 24 24 ALA HB3 H 1 0.539 0.030 . 1 . . . . 24 ALA HB . 11110 1 220 . 1 1 24 24 ALA C C 13 173.440 0.300 . 1 . . . . 24 ALA C . 11110 1 221 . 1 1 24 24 ALA CA C 13 52.496 0.300 . 1 . . . . 24 ALA CA . 11110 1 222 . 1 1 24 24 ALA CB C 13 23.025 0.300 . 1 . . . . 24 ALA CB . 11110 1 223 . 1 1 24 24 ALA N N 15 117.662 0.300 . 1 . . . . 24 ALA N . 11110 1 224 . 1 1 25 25 LEU H H 1 8.521 0.030 . 1 . . . . 25 LEU H . 11110 1 225 . 1 1 25 25 LEU HA H 1 4.582 0.030 . 1 . . . . 25 LEU HA . 11110 1 226 . 1 1 25 25 LEU HB2 H 1 1.619 0.030 . 2 . . . . 25 LEU HB2 . 11110 1 227 . 1 1 25 25 LEU HB3 H 1 1.111 0.030 . 2 . . . . 25 LEU HB3 . 11110 1 228 . 1 1 25 25 LEU HD11 H 1 0.618 0.030 . 1 . . . . 25 LEU HD1 . 11110 1 229 . 1 1 25 25 LEU HD12 H 1 0.618 0.030 . 1 . . . . 25 LEU HD1 . 11110 1 230 . 1 1 25 25 LEU HD13 H 1 0.618 0.030 . 1 . . . . 25 LEU HD1 . 11110 1 231 . 1 1 25 25 LEU HD21 H 1 0.571 0.030 . 1 . . . . 25 LEU HD2 . 11110 1 232 . 1 1 25 25 LEU HD22 H 1 0.571 0.030 . 1 . . . . 25 LEU HD2 . 11110 1 233 . 1 1 25 25 LEU HD23 H 1 0.571 0.030 . 1 . . . . 25 LEU HD2 . 11110 1 234 . 1 1 25 25 LEU HG H 1 1.065 0.030 . 1 . . . . 25 LEU HG . 11110 1 235 . 1 1 25 25 LEU C C 13 174.814 0.300 . 1 . . . . 25 LEU C . 11110 1 236 . 1 1 25 25 LEU CA C 13 53.584 0.300 . 1 . . . . 25 LEU CA . 11110 1 237 . 1 1 25 25 LEU CB C 13 43.981 0.300 . 1 . . . . 25 LEU CB . 11110 1 238 . 1 1 25 25 LEU CD1 C 13 25.777 0.300 . 2 . . . . 25 LEU CD1 . 11110 1 239 . 1 1 25 25 LEU CD2 C 13 22.731 0.300 . 2 . . . . 25 LEU CD2 . 11110 1 240 . 1 1 25 25 LEU CG C 13 26.917 0.300 . 1 . . . . 25 LEU CG . 11110 1 241 . 1 1 25 25 LEU N N 15 124.425 0.300 . 1 . . . . 25 LEU N . 11110 1 242 . 1 1 26 26 LEU H H 1 8.586 0.030 . 1 . . . . 26 LEU H . 11110 1 243 . 1 1 26 26 LEU HA H 1 5.253 0.030 . 1 . . . . 26 LEU HA . 11110 1 244 . 1 1 26 26 LEU HB2 H 1 1.978 0.030 . 2 . . . . 26 LEU HB2 . 11110 1 245 . 1 1 26 26 LEU HB3 H 1 1.415 0.030 . 2 . . . . 26 LEU HB3 . 11110 1 246 . 1 1 26 26 LEU HD11 H 1 0.726 0.030 . 1 . . . . 26 LEU HD1 . 11110 1 247 . 1 1 26 26 LEU HD12 H 1 0.726 0.030 . 1 . . . . 26 LEU HD1 . 11110 1 248 . 1 1 26 26 LEU HD13 H 1 0.726 0.030 . 1 . . . . 26 LEU HD1 . 11110 1 249 . 1 1 26 26 LEU HD21 H 1 0.527 0.030 . 1 . . . . 26 LEU HD2 . 11110 1 250 . 1 1 26 26 LEU HD22 H 1 0.527 0.030 . 1 . . . . 26 LEU HD2 . 11110 1 251 . 1 1 26 26 LEU HD23 H 1 0.527 0.030 . 1 . . . . 26 LEU HD2 . 11110 1 252 . 1 1 26 26 LEU HG H 1 1.524 0.030 . 1 . . . . 26 LEU HG . 11110 1 253 . 1 1 26 26 LEU C C 13 176.228 0.300 . 1 . . . . 26 LEU C . 11110 1 254 . 1 1 26 26 LEU CA C 13 53.270 0.300 . 1 . . . . 26 LEU CA . 11110 1 255 . 1 1 26 26 LEU CB C 13 43.067 0.300 . 1 . . . . 26 LEU CB . 11110 1 256 . 1 1 26 26 LEU CD1 C 13 26.937 0.300 . 2 . . . . 26 LEU CD1 . 11110 1 257 . 1 1 26 26 LEU CD2 C 13 23.184 0.300 . 2 . . . . 26 LEU CD2 . 11110 1 258 . 1 1 26 26 LEU CG C 13 27.451 0.300 . 1 . . . . 26 LEU CG . 11110 1 259 . 1 1 26 26 LEU N N 15 127.512 0.300 . 1 . . . . 26 LEU N . 11110 1 260 . 1 1 27 27 THR H H 1 8.912 0.030 . 1 . . . . 27 THR H . 11110 1 261 . 1 1 27 27 THR HA H 1 4.862 0.030 . 1 . . . . 27 THR HA . 11110 1 262 . 1 1 27 27 THR HB H 1 4.152 0.030 . 1 . . . . 27 THR HB . 11110 1 263 . 1 1 27 27 THR HG21 H 1 0.904 0.030 . 1 . . . . 27 THR HG2 . 11110 1 264 . 1 1 27 27 THR HG22 H 1 0.904 0.030 . 1 . . . . 27 THR HG2 . 11110 1 265 . 1 1 27 27 THR HG23 H 1 0.904 0.030 . 1 . . . . 27 THR HG2 . 11110 1 266 . 1 1 27 27 THR C C 13 172.683 0.300 . 1 . . . . 27 THR C . 11110 1 267 . 1 1 27 27 THR CA C 13 60.092 0.300 . 1 . . . . 27 THR CA . 11110 1 268 . 1 1 27 27 THR CB C 13 71.914 0.300 . 1 . . . . 27 THR CB . 11110 1 269 . 1 1 27 27 THR CG2 C 13 21.057 0.300 . 1 . . . . 27 THR CG2 . 11110 1 270 . 1 1 27 27 THR N N 15 111.964 0.300 . 1 . . . . 27 THR N . 11110 1 271 . 1 1 28 28 TRP H H 1 7.833 0.030 . 1 . . . . 28 TRP H . 11110 1 272 . 1 1 28 28 TRP HA H 1 4.907 0.030 . 1 . . . . 28 TRP HA . 11110 1 273 . 1 1 28 28 TRP HB2 H 1 3.276 0.030 . 2 . . . . 28 TRP HB2 . 11110 1 274 . 1 1 28 28 TRP HB3 H 1 2.950 0.030 . 2 . . . . 28 TRP HB3 . 11110 1 275 . 1 1 28 28 TRP HD1 H 1 6.585 0.030 . 1 . . . . 28 TRP HD1 . 11110 1 276 . 1 1 28 28 TRP HE1 H 1 8.384 0.030 . 1 . . . . 28 TRP HE1 . 11110 1 277 . 1 1 28 28 TRP HE3 H 1 6.678 0.030 . 1 . . . . 28 TRP HE3 . 11110 1 278 . 1 1 28 28 TRP HH2 H 1 6.314 0.030 . 1 . . . . 28 TRP HH2 . 11110 1 279 . 1 1 28 28 TRP HZ2 H 1 6.324 0.030 . 1 . . . . 28 TRP HZ2 . 11110 1 280 . 1 1 28 28 TRP HZ3 H 1 6.330 0.030 . 1 . . . . 28 TRP HZ3 . 11110 1 281 . 1 1 28 28 TRP C C 13 173.572 0.300 . 1 . . . . 28 TRP C . 11110 1 282 . 1 1 28 28 TRP CA C 13 56.956 0.300 . 1 . . . . 28 TRP CA . 11110 1 283 . 1 1 28 28 TRP CB C 13 30.160 0.300 . 1 . . . . 28 TRP CB . 11110 1 284 . 1 1 28 28 TRP CD1 C 13 124.451 0.300 . 1 . . . . 28 TRP CD1 . 11110 1 285 . 1 1 28 28 TRP CE3 C 13 120.425 0.300 . 1 . . . . 28 TRP CE3 . 11110 1 286 . 1 1 28 28 TRP CH2 C 13 122.886 0.300 . 1 . . . . 28 TRP CH2 . 11110 1 287 . 1 1 28 28 TRP CZ2 C 13 114.112 0.300 . 1 . . . . 28 TRP CZ2 . 11110 1 288 . 1 1 28 28 TRP CZ3 C 13 120.248 0.300 . 1 . . . . 28 TRP CZ3 . 11110 1 289 . 1 1 28 28 TRP N N 15 116.624 0.300 . 1 . . . . 28 TRP N . 11110 1 290 . 1 1 28 28 TRP NE1 N 15 125.742 0.300 . 1 . . . . 28 TRP NE1 . 11110 1 291 . 1 1 29 29 THR H H 1 8.989 0.030 . 1 . . . . 29 THR H . 11110 1 292 . 1 1 29 29 THR HA H 1 4.441 0.030 . 1 . . . . 29 THR HA . 11110 1 293 . 1 1 29 29 THR HB H 1 3.918 0.030 . 1 . . . . 29 THR HB . 11110 1 294 . 1 1 29 29 THR HG21 H 1 1.274 0.030 . 1 . . . . 29 THR HG2 . 11110 1 295 . 1 1 29 29 THR HG22 H 1 1.274 0.030 . 1 . . . . 29 THR HG2 . 11110 1 296 . 1 1 29 29 THR HG23 H 1 1.274 0.030 . 1 . . . . 29 THR HG2 . 11110 1 297 . 1 1 29 29 THR C C 13 174.865 0.300 . 1 . . . . 29 THR C . 11110 1 298 . 1 1 29 29 THR CA C 13 61.388 0.300 . 1 . . . . 29 THR CA . 11110 1 299 . 1 1 29 29 THR CB C 13 69.717 0.300 . 1 . . . . 29 THR CB . 11110 1 300 . 1 1 29 29 THR CG2 C 13 22.410 0.300 . 1 . . . . 29 THR CG2 . 11110 1 301 . 1 1 29 29 THR N N 15 115.369 0.300 . 1 . . . . 29 THR N . 11110 1 302 . 1 1 30 30 GLU H H 1 8.970 0.030 . 1 . . . . 30 GLU H . 11110 1 303 . 1 1 30 30 GLU HA H 1 4.572 0.030 . 1 . . . . 30 GLU HA . 11110 1 304 . 1 1 30 30 GLU HB2 H 1 2.083 0.030 . 1 . . . . 30 GLU HB2 . 11110 1 305 . 1 1 30 30 GLU HB3 H 1 2.083 0.030 . 1 . . . . 30 GLU HB3 . 11110 1 306 . 1 1 30 30 GLU HG2 H 1 2.571 0.030 . 2 . . . . 30 GLU HG2 . 11110 1 307 . 1 1 30 30 GLU HG3 H 1 2.400 0.030 . 2 . . . . 30 GLU HG3 . 11110 1 308 . 1 1 30 30 GLU C C 13 174.037 0.300 . 1 . . . . 30 GLU C . 11110 1 309 . 1 1 30 30 GLU CA C 13 55.838 0.300 . 1 . . . . 30 GLU CA . 11110 1 310 . 1 1 30 30 GLU CB C 13 30.456 0.300 . 1 . . . . 30 GLU CB . 11110 1 311 . 1 1 30 30 GLU CG C 13 36.997 0.300 . 1 . . . . 30 GLU CG . 11110 1 312 . 1 1 30 30 GLU N N 15 127.289 0.300 . 1 . . . . 30 GLU N . 11110 1 313 . 1 1 31 31 PRO HB2 H 1 2.349 0.030 . 1 . . . . 31 PRO HB2 . 11110 1 314 . 1 1 31 31 PRO HB3 H 1 2.349 0.030 . 1 . . . . 31 PRO HB3 . 11110 1 315 . 1 1 31 31 PRO HD2 H 1 3.824 0.030 . 2 . . . . 31 PRO HD2 . 11110 1 316 . 1 1 31 31 PRO HD3 H 1 3.898 0.030 . 2 . . . . 31 PRO HD3 . 11110 1 317 . 1 1 31 31 PRO HG2 H 1 2.268 0.030 . 2 . . . . 31 PRO HG2 . 11110 1 318 . 1 1 31 31 PRO HG3 H 1 1.980 0.030 . 2 . . . . 31 PRO HG3 . 11110 1 319 . 1 1 31 31 PRO CA C 13 61.593 0.300 . 1 . . . . 31 PRO CA . 11110 1 320 . 1 1 31 31 PRO CB C 13 31.339 0.300 . 1 . . . . 31 PRO CB . 11110 1 321 . 1 1 31 31 PRO CD C 13 50.673 0.300 . 1 . . . . 31 PRO CD . 11110 1 322 . 1 1 31 31 PRO CG C 13 27.262 0.300 . 1 . . . . 31 PRO CG . 11110 1 323 . 1 1 32 32 PRO HA H 1 4.244 0.030 . 1 . . . . 32 PRO HA . 11110 1 324 . 1 1 32 32 PRO HB2 H 1 2.360 0.030 . 2 . . . . 32 PRO HB2 . 11110 1 325 . 1 1 32 32 PRO HB3 H 1 1.954 0.030 . 2 . . . . 32 PRO HB3 . 11110 1 326 . 1 1 32 32 PRO HD2 H 1 3.744 0.030 . 2 . . . . 32 PRO HD2 . 11110 1 327 . 1 1 32 32 PRO HG2 H 1 2.079 0.030 . 2 . . . . 32 PRO HG2 . 11110 1 328 . 1 1 32 32 PRO HG3 H 1 2.031 0.030 . 2 . . . . 32 PRO HG3 . 11110 1 329 . 1 1 32 32 PRO C C 13 177.208 0.300 . 1 . . . . 32 PRO C . 11110 1 330 . 1 1 32 32 PRO CA C 13 64.956 0.300 . 1 . . . . 32 PRO CA . 11110 1 331 . 1 1 32 32 PRO CB C 13 32.094 0.300 . 1 . . . . 32 PRO CB . 11110 1 332 . 1 1 32 32 PRO CD C 13 50.563 0.300 . 1 . . . . 32 PRO CD . 11110 1 333 . 1 1 32 32 PRO CG C 13 27.796 0.300 . 1 . . . . 32 PRO CG . 11110 1 334 . 1 1 33 33 VAL H H 1 7.146 0.030 . 1 . . . . 33 VAL H . 11110 1 335 . 1 1 33 33 VAL HA H 1 4.109 0.030 . 1 . . . . 33 VAL HA . 11110 1 336 . 1 1 33 33 VAL HB H 1 1.835 0.030 . 1 . . . . 33 VAL HB . 11110 1 337 . 1 1 33 33 VAL HG11 H 1 0.852 0.030 . 1 . . . . 33 VAL HG1 . 11110 1 338 . 1 1 33 33 VAL HG12 H 1 0.852 0.030 . 1 . . . . 33 VAL HG1 . 11110 1 339 . 1 1 33 33 VAL HG13 H 1 0.852 0.030 . 1 . . . . 33 VAL HG1 . 11110 1 340 . 1 1 33 33 VAL HG21 H 1 0.825 0.030 . 1 . . . . 33 VAL HG2 . 11110 1 341 . 1 1 33 33 VAL HG22 H 1 0.825 0.030 . 1 . . . . 33 VAL HG2 . 11110 1 342 . 1 1 33 33 VAL HG23 H 1 0.825 0.030 . 1 . . . . 33 VAL HG2 . 11110 1 343 . 1 1 33 33 VAL C C 13 175.178 0.300 . 1 . . . . 33 VAL C . 11110 1 344 . 1 1 33 33 VAL CA C 13 61.064 0.300 . 1 . . . . 33 VAL CA . 11110 1 345 . 1 1 33 33 VAL CB C 13 32.641 0.300 . 1 . . . . 33 VAL CB . 11110 1 346 . 1 1 33 33 VAL CG1 C 13 21.078 0.300 . 2 . . . . 33 VAL CG1 . 11110 1 347 . 1 1 33 33 VAL CG2 C 13 20.980 0.300 . 2 . . . . 33 VAL CG2 . 11110 1 348 . 1 1 33 33 VAL N N 15 116.441 0.300 . 1 . . . . 33 VAL N . 11110 1 349 . 1 1 34 34 ARG H H 1 8.389 0.030 . 1 . . . . 34 ARG H . 11110 1 350 . 1 1 34 34 ARG HA H 1 4.226 0.030 . 1 . . . . 34 ARG HA . 11110 1 351 . 1 1 34 34 ARG HB2 H 1 1.754 0.030 . 2 . . . . 34 ARG HB2 . 11110 1 352 . 1 1 34 34 ARG HB3 H 1 1.863 0.030 . 2 . . . . 34 ARG HB3 . 11110 1 353 . 1 1 34 34 ARG HD2 H 1 3.138 0.030 . 2 . . . . 34 ARG HD2 . 11110 1 354 . 1 1 34 34 ARG HD3 H 1 3.099 0.030 . 2 . . . . 34 ARG HD3 . 11110 1 355 . 1 1 34 34 ARG HE H 1 7.558 0.030 . 1 . . . . 34 ARG HE . 11110 1 356 . 1 1 34 34 ARG HG2 H 1 1.853 0.030 . 2 . . . . 34 ARG HG2 . 11110 1 357 . 1 1 34 34 ARG HG3 H 1 1.671 0.030 . 2 . . . . 34 ARG HG3 . 11110 1 358 . 1 1 34 34 ARG C C 13 174.602 0.300 . 1 . . . . 34 ARG C . 11110 1 359 . 1 1 34 34 ARG CA C 13 55.207 0.300 . 1 . . . . 34 ARG CA . 11110 1 360 . 1 1 34 34 ARG CB C 13 30.663 0.300 . 1 . . . . 34 ARG CB . 11110 1 361 . 1 1 34 34 ARG CD C 13 43.927 0.300 . 1 . . . . 34 ARG CD . 11110 1 362 . 1 1 34 34 ARG CG C 13 26.471 0.300 . 1 . . . . 34 ARG CG . 11110 1 363 . 1 1 34 34 ARG N N 15 127.802 0.300 . 1 . . . . 34 ARG N . 11110 1 364 . 1 1 34 34 ARG NE N 15 85.146 0.300 . 1 . . . . 34 ARG NE . 11110 1 365 . 1 1 35 35 PRO HA H 1 3.917 0.030 . 1 . . . . 35 PRO HA . 11110 1 366 . 1 1 35 35 PRO HB2 H 1 1.528 0.030 . 1 . . . . 35 PRO HB2 . 11110 1 367 . 1 1 35 35 PRO HB3 H 1 1.528 0.030 . 1 . . . . 35 PRO HB3 . 11110 1 368 . 1 1 35 35 PRO HD2 H 1 4.027 0.030 . 2 . . . . 35 PRO HD2 . 11110 1 369 . 1 1 35 35 PRO HD3 H 1 3.639 0.030 . 2 . . . . 35 PRO HD3 . 11110 1 370 . 1 1 35 35 PRO HG2 H 1 1.452 0.030 . 2 . . . . 35 PRO HG2 . 11110 1 371 . 1 1 35 35 PRO HG3 H 1 1.542 0.030 . 2 . . . . 35 PRO HG3 . 11110 1 372 . 1 1 35 35 PRO C C 13 175.249 0.300 . 1 . . . . 35 PRO C . 11110 1 373 . 1 1 35 35 PRO CA C 13 62.054 0.300 . 1 . . . . 35 PRO CA . 11110 1 374 . 1 1 35 35 PRO CB C 13 32.224 0.300 . 1 . . . . 35 PRO CB . 11110 1 375 . 1 1 35 35 PRO CD C 13 50.790 0.300 . 1 . . . . 35 PRO CD . 11110 1 376 . 1 1 35 35 PRO CG C 13 27.281 0.300 . 1 . . . . 35 PRO CG . 11110 1 377 . 1 1 36 36 ALA H H 1 7.918 0.030 . 1 . . . . 36 ALA H . 11110 1 378 . 1 1 36 36 ALA HA H 1 4.136 0.030 . 1 . . . . 36 ALA HA . 11110 1 379 . 1 1 36 36 ALA HB1 H 1 1.355 0.030 . 1 . . . . 36 ALA HB . 11110 1 380 . 1 1 36 36 ALA HB2 H 1 1.355 0.030 . 1 . . . . 36 ALA HB . 11110 1 381 . 1 1 36 36 ALA HB3 H 1 1.355 0.030 . 1 . . . . 36 ALA HB . 11110 1 382 . 1 1 36 36 ALA C C 13 178.137 0.300 . 1 . . . . 36 ALA C . 11110 1 383 . 1 1 36 36 ALA CA C 13 53.532 0.300 . 1 . . . . 36 ALA CA . 11110 1 384 . 1 1 36 36 ALA CB C 13 19.025 0.300 . 1 . . . . 36 ALA CB . 11110 1 385 . 1 1 36 36 ALA N N 15 121.326 0.300 . 1 . . . . 36 ALA N . 11110 1 386 . 1 1 37 37 GLY H H 1 7.163 0.030 . 1 . . . . 37 GLY H . 11110 1 387 . 1 1 37 37 GLY HA2 H 1 3.955 0.030 . 1 . . . . 37 GLY HA2 . 11110 1 388 . 1 1 37 37 GLY HA3 H 1 3.955 0.030 . 1 . . . . 37 GLY HA3 . 11110 1 389 . 1 1 37 37 GLY C C 13 169.926 0.300 . 1 . . . . 37 GLY C . 11110 1 390 . 1 1 37 37 GLY CA C 13 44.515 0.300 . 1 . . . . 37 GLY CA . 11110 1 391 . 1 1 37 37 GLY N N 15 101.976 0.300 . 1 . . . . 37 GLY N . 11110 1 392 . 1 1 38 38 TYR H H 1 8.784 0.030 . 1 . . . . 38 TYR H . 11110 1 393 . 1 1 38 38 TYR HA H 1 5.229 0.030 . 1 . . . . 38 TYR HA . 11110 1 394 . 1 1 38 38 TYR HB2 H 1 2.433 0.030 . 2 . . . . 38 TYR HB2 . 11110 1 395 . 1 1 38 38 TYR HB3 H 1 2.398 0.030 . 2 . . . . 38 TYR HB3 . 11110 1 396 . 1 1 38 38 TYR HD1 H 1 6.734 0.030 . 1 . . . . 38 TYR HD1 . 11110 1 397 . 1 1 38 38 TYR HD2 H 1 6.734 0.030 . 1 . . . . 38 TYR HD2 . 11110 1 398 . 1 1 38 38 TYR C C 13 173.905 0.300 . 1 . . . . 38 TYR C . 11110 1 399 . 1 1 38 38 TYR CA C 13 56.463 0.300 . 1 . . . . 38 TYR CA . 11110 1 400 . 1 1 38 38 TYR CB C 13 43.823 0.300 . 1 . . . . 38 TYR CB . 11110 1 401 . 1 1 38 38 TYR N N 15 114.685 0.300 . 1 . . . . 38 TYR N . 11110 1 402 . 1 1 39 39 LEU H H 1 9.134 0.030 . 1 . . . . 39 LEU H . 11110 1 403 . 1 1 39 39 LEU HA H 1 4.971 0.030 . 1 . . . . 39 LEU HA . 11110 1 404 . 1 1 39 39 LEU HB2 H 1 1.732 0.030 . 2 . . . . 39 LEU HB2 . 11110 1 405 . 1 1 39 39 LEU HB3 H 1 1.272 0.030 . 2 . . . . 39 LEU HB3 . 11110 1 406 . 1 1 39 39 LEU HD21 H 1 0.752 0.030 . 1 . . . . 39 LEU HD2 . 11110 1 407 . 1 1 39 39 LEU HD22 H 1 0.752 0.030 . 1 . . . . 39 LEU HD2 . 11110 1 408 . 1 1 39 39 LEU HD23 H 1 0.752 0.030 . 1 . . . . 39 LEU HD2 . 11110 1 409 . 1 1 39 39 LEU HG H 1 1.323 0.030 . 1 . . . . 39 LEU HG . 11110 1 410 . 1 1 39 39 LEU C C 13 175.562 0.300 . 1 . . . . 39 LEU C . 11110 1 411 . 1 1 39 39 LEU CA C 13 54.086 0.300 . 1 . . . . 39 LEU CA . 11110 1 412 . 1 1 39 39 LEU CB C 13 44.396 0.300 . 1 . . . . 39 LEU CB . 11110 1 413 . 1 1 39 39 LEU CD2 C 13 23.655 0.300 . 2 . . . . 39 LEU CD2 . 11110 1 414 . 1 1 39 39 LEU CG C 13 27.788 0.300 . 1 . . . . 39 LEU CG . 11110 1 415 . 1 1 39 39 LEU N N 15 122.339 0.300 . 1 . . . . 39 LEU N . 11110 1 416 . 1 1 40 40 LEU H H 1 9.352 0.030 . 1 . . . . 40 LEU H . 11110 1 417 . 1 1 40 40 LEU HA H 1 5.321 0.030 . 1 . . . . 40 LEU HA . 11110 1 418 . 1 1 40 40 LEU HB2 H 1 1.853 0.030 . 2 . . . . 40 LEU HB2 . 11110 1 419 . 1 1 40 40 LEU HB3 H 1 0.960 0.030 . 2 . . . . 40 LEU HB3 . 11110 1 420 . 1 1 40 40 LEU HD11 H 1 0.734 0.030 . 1 . . . . 40 LEU HD1 . 11110 1 421 . 1 1 40 40 LEU HD12 H 1 0.734 0.030 . 1 . . . . 40 LEU HD1 . 11110 1 422 . 1 1 40 40 LEU HD13 H 1 0.734 0.030 . 1 . . . . 40 LEU HD1 . 11110 1 423 . 1 1 40 40 LEU HD21 H 1 0.725 0.030 . 1 . . . . 40 LEU HD2 . 11110 1 424 . 1 1 40 40 LEU HD22 H 1 0.725 0.030 . 1 . . . . 40 LEU HD2 . 11110 1 425 . 1 1 40 40 LEU HD23 H 1 0.725 0.030 . 1 . . . . 40 LEU HD2 . 11110 1 426 . 1 1 40 40 LEU HG H 1 1.488 0.030 . 1 . . . . 40 LEU HG . 11110 1 427 . 1 1 40 40 LEU C C 13 174.380 0.300 . 1 . . . . 40 LEU C . 11110 1 428 . 1 1 40 40 LEU CA C 13 53.343 0.300 . 1 . . . . 40 LEU CA . 11110 1 429 . 1 1 40 40 LEU CB C 13 43.872 0.300 . 1 . . . . 40 LEU CB . 11110 1 430 . 1 1 40 40 LEU CD1 C 13 23.835 0.300 . 2 . . . . 40 LEU CD1 . 11110 1 431 . 1 1 40 40 LEU CD2 C 13 26.795 0.300 . 2 . . . . 40 LEU CD2 . 11110 1 432 . 1 1 40 40 LEU CG C 13 28.103 0.300 . 1 . . . . 40 LEU CG . 11110 1 433 . 1 1 40 40 LEU N N 15 134.129 0.300 . 1 . . . . 40 LEU N . 11110 1 434 . 1 1 41 41 SER H H 1 9.421 0.030 . 1 . . . . 41 SER H . 11110 1 435 . 1 1 41 41 SER HA H 1 5.957 0.030 . 1 . . . . 41 SER HA . 11110 1 436 . 1 1 41 41 SER HB2 H 1 3.696 0.030 . 1 . . . . 41 SER HB2 . 11110 1 437 . 1 1 41 41 SER HB3 H 1 3.696 0.030 . 1 . . . . 41 SER HB3 . 11110 1 438 . 1 1 41 41 SER C C 13 173.622 0.300 . 1 . . . . 41 SER C . 11110 1 439 . 1 1 41 41 SER CA C 13 56.263 0.300 . 1 . . . . 41 SER CA . 11110 1 440 . 1 1 41 41 SER CB C 13 65.624 0.300 . 1 . . . . 41 SER CB . 11110 1 441 . 1 1 41 41 SER N N 15 121.340 0.300 . 1 . . . . 41 SER N . 11110 1 442 . 1 1 42 42 PHE H H 1 8.966 0.030 . 1 . . . . 42 PHE H . 11110 1 443 . 1 1 42 42 PHE HA H 1 5.938 0.030 . 1 . . . . 42 PHE HA . 11110 1 444 . 1 1 42 42 PHE HB2 H 1 3.132 0.030 . 2 . . . . 42 PHE HB2 . 11110 1 445 . 1 1 42 42 PHE HB3 H 1 2.994 0.030 . 2 . . . . 42 PHE HB3 . 11110 1 446 . 1 1 42 42 PHE HD1 H 1 6.931 0.030 . 1 . . . . 42 PHE HD1 . 11110 1 447 . 1 1 42 42 PHE HD2 H 1 6.931 0.030 . 1 . . . . 42 PHE HD2 . 11110 1 448 . 1 1 42 42 PHE HE1 H 1 7.139 0.030 . 1 . . . . 42 PHE HE1 . 11110 1 449 . 1 1 42 42 PHE HE2 H 1 7.139 0.030 . 1 . . . . 42 PHE HE2 . 11110 1 450 . 1 1 42 42 PHE HZ H 1 7.226 0.030 . 1 . . . . 42 PHE HZ . 11110 1 451 . 1 1 42 42 PHE C C 13 173.430 0.300 . 1 . . . . 42 PHE C . 11110 1 452 . 1 1 42 42 PHE CA C 13 56.515 0.300 . 1 . . . . 42 PHE CA . 11110 1 453 . 1 1 42 42 PHE CB C 13 41.853 0.300 . 1 . . . . 42 PHE CB . 11110 1 454 . 1 1 42 42 PHE CD1 C 13 131.441 0.300 . 1 . . . . 42 PHE CD1 . 11110 1 455 . 1 1 42 42 PHE CD2 C 13 131.441 0.300 . 1 . . . . 42 PHE CD2 . 11110 1 456 . 1 1 42 42 PHE CE1 C 13 131.502 0.300 . 1 . . . . 42 PHE CE1 . 11110 1 457 . 1 1 42 42 PHE CE2 C 13 131.502 0.300 . 1 . . . . 42 PHE CE2 . 11110 1 458 . 1 1 42 42 PHE CZ C 13 130.563 0.300 . 1 . . . . 42 PHE CZ . 11110 1 459 . 1 1 42 42 PHE N N 15 119.162 0.300 . 1 . . . . 42 PHE N . 11110 1 460 . 1 1 43 43 HIS H H 1 8.677 0.030 . 1 . . . . 43 HIS H . 11110 1 461 . 1 1 43 43 HIS HA H 1 5.197 0.030 . 1 . . . . 43 HIS HA . 11110 1 462 . 1 1 43 43 HIS HB2 H 1 3.232 0.030 . 2 . . . . 43 HIS HB2 . 11110 1 463 . 1 1 43 43 HIS HB3 H 1 2.932 0.030 . 2 . . . . 43 HIS HB3 . 11110 1 464 . 1 1 43 43 HIS HD2 H 1 6.686 0.030 . 1 . . . . 43 HIS HD2 . 11110 1 465 . 1 1 43 43 HIS HE1 H 1 7.646 0.030 . 1 . . . . 43 HIS HE1 . 11110 1 466 . 1 1 43 43 HIS CA C 13 55.226 0.300 . 1 . . . . 43 HIS CA . 11110 1 467 . 1 1 43 43 HIS CB C 13 33.248 0.300 . 1 . . . . 43 HIS CB . 11110 1 468 . 1 1 43 43 HIS CE1 C 13 138.175 0.300 . 1 . . . . 43 HIS CE1 . 11110 1 469 . 1 1 43 43 HIS N N 15 116.497 0.300 . 1 . . . . 43 HIS N . 11110 1 470 . 1 1 44 44 THR H H 1 8.216 0.030 . 1 . . . . 44 THR H . 11110 1 471 . 1 1 44 44 THR HA H 1 4.899 0.030 . 1 . . . . 44 THR HA . 11110 1 472 . 1 1 44 44 THR HB H 1 3.812 0.030 . 1 . . . . 44 THR HB . 11110 1 473 . 1 1 44 44 THR HG21 H 1 0.943 0.030 . 1 . . . . 44 THR HG2 . 11110 1 474 . 1 1 44 44 THR HG22 H 1 0.943 0.030 . 1 . . . . 44 THR HG2 . 11110 1 475 . 1 1 44 44 THR HG23 H 1 0.943 0.030 . 1 . . . . 44 THR HG2 . 11110 1 476 . 1 1 44 44 THR CA C 13 58.209 0.300 . 1 . . . . 44 THR CA . 11110 1 477 . 1 1 44 44 THR CB C 13 69.490 0.300 . 1 . . . . 44 THR CB . 11110 1 478 . 1 1 44 44 THR CG2 C 13 20.547 0.300 . 1 . . . . 44 THR CG2 . 11110 1 479 . 1 1 45 45 PRO HA H 1 4.293 0.030 . 1 . . . . 45 PRO HA . 11110 1 480 . 1 1 45 45 PRO HB2 H 1 2.263 0.030 . 2 . . . . 45 PRO HB2 . 11110 1 481 . 1 1 45 45 PRO HB3 H 1 1.865 0.030 . 2 . . . . 45 PRO HB3 . 11110 1 482 . 1 1 45 45 PRO HD2 H 1 3.724 0.030 . 2 . . . . 45 PRO HD2 . 11110 1 483 . 1 1 45 45 PRO HD3 H 1 3.490 0.030 . 2 . . . . 45 PRO HD3 . 11110 1 484 . 1 1 45 45 PRO HG2 H 1 1.772 0.030 . 2 . . . . 45 PRO HG2 . 11110 1 485 . 1 1 45 45 PRO HG3 H 1 2.053 0.030 . 2 . . . . 45 PRO HG3 . 11110 1 486 . 1 1 45 45 PRO CA C 13 65.001 0.300 . 1 . . . . 45 PRO CA . 11110 1 487 . 1 1 45 45 PRO CB C 13 31.294 0.300 . 1 . . . . 45 PRO CB . 11110 1 488 . 1 1 45 45 PRO CD C 13 51.332 0.300 . 1 . . . . 45 PRO CD . 11110 1 489 . 1 1 45 45 PRO CG C 13 28.092 0.300 . 1 . . . . 45 PRO CG . 11110 1 490 . 1 1 46 46 GLY H H 1 8.935 0.030 . 1 . . . . 46 GLY H . 11110 1 491 . 1 1 46 46 GLY HA2 H 1 4.117 0.030 . 2 . . . . 46 GLY HA2 . 11110 1 492 . 1 1 46 46 GLY HA3 H 1 3.783 0.030 . 2 . . . . 46 GLY HA3 . 11110 1 493 . 1 1 46 46 GLY C C 13 174.705 0.300 . 1 . . . . 46 GLY C . 11110 1 494 . 1 1 46 46 GLY CA C 13 45.457 0.300 . 1 . . . . 46 GLY CA . 11110 1 495 . 1 1 47 47 GLY H H 1 8.534 0.030 . 1 . . . . 47 GLY H . 11110 1 496 . 1 1 47 47 GLY HA2 H 1 4.377 0.030 . 2 . . . . 47 GLY HA2 . 11110 1 497 . 1 1 47 47 GLY HA3 H 1 3.830 0.030 . 2 . . . . 47 GLY HA3 . 11110 1 498 . 1 1 47 47 GLY C C 13 173.926 0.300 . 1 . . . . 47 GLY C . 11110 1 499 . 1 1 47 47 GLY CA C 13 43.762 0.300 . 1 . . . . 47 GLY CA . 11110 1 500 . 1 1 47 47 GLY N N 15 109.601 0.300 . 1 . . . . 47 GLY N . 11110 1 501 . 1 1 48 48 GLN H H 1 8.428 0.030 . 1 . . . . 48 GLN H . 11110 1 502 . 1 1 48 48 GLN HA H 1 4.348 0.030 . 1 . . . . 48 GLN HA . 11110 1 503 . 1 1 48 48 GLN HB2 H 1 2.045 0.030 . 2 . . . . 48 GLN HB2 . 11110 1 504 . 1 1 48 48 GLN HB3 H 1 1.994 0.030 . 2 . . . . 48 GLN HB3 . 11110 1 505 . 1 1 48 48 GLN HE21 H 1 7.627 0.030 . 2 . . . . 48 GLN HE21 . 11110 1 506 . 1 1 48 48 GLN HE22 H 1 6.891 0.030 . 2 . . . . 48 GLN HE22 . 11110 1 507 . 1 1 48 48 GLN HG2 H 1 2.397 0.030 . 1 . . . . 48 GLN HG2 . 11110 1 508 . 1 1 48 48 GLN HG3 H 1 2.397 0.030 . 1 . . . . 48 GLN HG3 . 11110 1 509 . 1 1 48 48 GLN C C 13 176.814 0.300 . 1 . . . . 48 GLN C . 11110 1 510 . 1 1 48 48 GLN CA C 13 55.592 0.300 . 1 . . . . 48 GLN CA . 11110 1 511 . 1 1 48 48 GLN CB C 13 29.646 0.300 . 1 . . . . 48 GLN CB . 11110 1 512 . 1 1 48 48 GLN CG C 13 33.820 0.300 . 1 . . . . 48 GLN CG . 11110 1 513 . 1 1 48 48 GLN N N 15 119.145 0.300 . 1 . . . . 48 GLN N . 11110 1 514 . 1 1 48 48 GLN NE2 N 15 112.856 0.300 . 1 . . . . 48 GLN NE2 . 11110 1 515 . 1 1 49 49 THR H H 1 8.783 0.030 . 1 . . . . 49 THR H . 11110 1 516 . 1 1 49 49 THR HA H 1 4.396 0.030 . 1 . . . . 49 THR HA . 11110 1 517 . 1 1 49 49 THR HB H 1 3.941 0.030 . 1 . . . . 49 THR HB . 11110 1 518 . 1 1 49 49 THR HG21 H 1 1.044 0.030 . 1 . . . . 49 THR HG2 . 11110 1 519 . 1 1 49 49 THR HG22 H 1 1.044 0.030 . 1 . . . . 49 THR HG2 . 11110 1 520 . 1 1 49 49 THR HG23 H 1 1.044 0.030 . 1 . . . . 49 THR HG2 . 11110 1 521 . 1 1 49 49 THR C C 13 173.956 0.300 . 1 . . . . 49 THR C . 11110 1 522 . 1 1 49 49 THR CA C 13 63.611 0.300 . 1 . . . . 49 THR CA . 11110 1 523 . 1 1 49 49 THR CB C 13 69.467 0.300 . 1 . . . . 49 THR CB . 11110 1 524 . 1 1 49 49 THR CG2 C 13 22.339 0.300 . 1 . . . . 49 THR CG2 . 11110 1 525 . 1 1 49 49 THR N N 15 121.480 0.300 . 1 . . . . 49 THR N . 11110 1 526 . 1 1 50 50 GLN H H 1 8.451 0.030 . 1 . . . . 50 GLN H . 11110 1 527 . 1 1 50 50 GLN HA H 1 4.444 0.030 . 1 . . . . 50 GLN HA . 11110 1 528 . 1 1 50 50 GLN HB2 H 1 1.538 0.030 . 2 . . . . 50 GLN HB2 . 11110 1 529 . 1 1 50 50 GLN HB3 H 1 1.002 0.030 . 2 . . . . 50 GLN HB3 . 11110 1 530 . 1 1 50 50 GLN HE21 H 1 7.325 0.030 . 2 . . . . 50 GLN HE21 . 11110 1 531 . 1 1 50 50 GLN HE22 H 1 6.926 0.030 . 2 . . . . 50 GLN HE22 . 11110 1 532 . 1 1 50 50 GLN HG2 H 1 2.119 0.030 . 1 . . . . 50 GLN HG2 . 11110 1 533 . 1 1 50 50 GLN HG3 H 1 2.119 0.030 . 1 . . . . 50 GLN HG3 . 11110 1 534 . 1 1 50 50 GLN C C 13 174.067 0.300 . 1 . . . . 50 GLN C . 11110 1 535 . 1 1 50 50 GLN CA C 13 54.653 0.300 . 1 . . . . 50 GLN CA . 11110 1 536 . 1 1 50 50 GLN CB C 13 30.757 0.300 . 1 . . . . 50 GLN CB . 11110 1 537 . 1 1 50 50 GLN CG C 13 34.232 0.300 . 1 . . . . 50 GLN CG . 11110 1 538 . 1 1 50 50 GLN N N 15 127.069 0.300 . 1 . . . . 50 GLN N . 11110 1 539 . 1 1 50 50 GLN NE2 N 15 112.057 0.300 . 1 . . . . 50 GLN NE2 . 11110 1 540 . 1 1 51 51 GLU H H 1 8.412 0.030 . 1 . . . . 51 GLU H . 11110 1 541 . 1 1 51 51 GLU HA H 1 5.229 0.030 . 1 . . . . 51 GLU HA . 11110 1 542 . 1 1 51 51 GLU HB2 H 1 1.849 0.030 . 2 . . . . 51 GLU HB2 . 11110 1 543 . 1 1 51 51 GLU HB3 H 1 1.770 0.030 . 2 . . . . 51 GLU HB3 . 11110 1 544 . 1 1 51 51 GLU HG2 H 1 2.039 0.030 . 1 . . . . 51 GLU HG2 . 11110 1 545 . 1 1 51 51 GLU HG3 H 1 2.039 0.030 . 1 . . . . 51 GLU HG3 . 11110 1 546 . 1 1 51 51 GLU C C 13 175.855 0.300 . 1 . . . . 51 GLU C . 11110 1 547 . 1 1 51 51 GLU CA C 13 55.007 0.300 . 1 . . . . 51 GLU CA . 11110 1 548 . 1 1 51 51 GLU CB C 13 33.076 0.300 . 1 . . . . 51 GLU CB . 11110 1 549 . 1 1 51 51 GLU CG C 13 36.525 0.300 . 1 . . . . 51 GLU CG . 11110 1 550 . 1 1 51 51 GLU N N 15 121.224 0.300 . 1 . . . . 51 GLU N . 11110 1 551 . 1 1 52 52 ILE H H 1 9.489 0.030 . 1 . . . . 52 ILE H . 11110 1 552 . 1 1 52 52 ILE HA H 1 4.312 0.030 . 1 . . . . 52 ILE HA . 11110 1 553 . 1 1 52 52 ILE HB H 1 1.716 0.030 . 1 . . . . 52 ILE HB . 11110 1 554 . 1 1 52 52 ILE HD11 H 1 0.954 0.030 . 1 . . . . 52 ILE HD1 . 11110 1 555 . 1 1 52 52 ILE HD12 H 1 0.954 0.030 . 1 . . . . 52 ILE HD1 . 11110 1 556 . 1 1 52 52 ILE HD13 H 1 0.954 0.030 . 1 . . . . 52 ILE HD1 . 11110 1 557 . 1 1 52 52 ILE HG12 H 1 1.504 0.030 . 2 . . . . 52 ILE HG12 . 11110 1 558 . 1 1 52 52 ILE HG13 H 1 1.163 0.030 . 2 . . . . 52 ILE HG13 . 11110 1 559 . 1 1 52 52 ILE HG21 H 1 0.739 0.030 . 1 . . . . 52 ILE HG2 . 11110 1 560 . 1 1 52 52 ILE HG22 H 1 0.739 0.030 . 1 . . . . 52 ILE HG2 . 11110 1 561 . 1 1 52 52 ILE HG23 H 1 0.739 0.030 . 1 . . . . 52 ILE HG2 . 11110 1 562 . 1 1 52 52 ILE C C 13 173.582 0.300 . 1 . . . . 52 ILE C . 11110 1 563 . 1 1 52 52 ILE CA C 13 60.612 0.300 . 1 . . . . 52 ILE CA . 11110 1 564 . 1 1 52 52 ILE CB C 13 41.962 0.300 . 1 . . . . 52 ILE CB . 11110 1 565 . 1 1 52 52 ILE CD1 C 13 14.375 0.300 . 1 . . . . 52 ILE CD1 . 11110 1 566 . 1 1 52 52 ILE CG1 C 13 27.755 0.300 . 1 . . . . 52 ILE CG1 . 11110 1 567 . 1 1 52 52 ILE CG2 C 13 17.488 0.300 . 1 . . . . 52 ILE CG2 . 11110 1 568 . 1 1 52 52 ILE N N 15 124.504 0.300 . 1 . . . . 52 ILE N . 11110 1 569 . 1 1 53 53 LEU H H 1 8.437 0.030 . 1 . . . . 53 LEU H . 11110 1 570 . 1 1 53 53 LEU HA H 1 5.008 0.030 . 1 . . . . 53 LEU HA . 11110 1 571 . 1 1 53 53 LEU HB2 H 1 1.575 0.030 . 2 . . . . 53 LEU HB2 . 11110 1 572 . 1 1 53 53 LEU HB3 H 1 1.522 0.030 . 2 . . . . 53 LEU HB3 . 11110 1 573 . 1 1 53 53 LEU HD11 H 1 0.836 0.030 . 1 . . . . 53 LEU HD1 . 11110 1 574 . 1 1 53 53 LEU HD12 H 1 0.836 0.030 . 1 . . . . 53 LEU HD1 . 11110 1 575 . 1 1 53 53 LEU HD13 H 1 0.836 0.030 . 1 . . . . 53 LEU HD1 . 11110 1 576 . 1 1 53 53 LEU HD21 H 1 0.832 0.030 . 1 . . . . 53 LEU HD2 . 11110 1 577 . 1 1 53 53 LEU HD22 H 1 0.832 0.030 . 1 . . . . 53 LEU HD2 . 11110 1 578 . 1 1 53 53 LEU HD23 H 1 0.832 0.030 . 1 . . . . 53 LEU HD2 . 11110 1 579 . 1 1 53 53 LEU HG H 1 1.528 0.030 . 1 . . . . 53 LEU HG . 11110 1 580 . 1 1 53 53 LEU C C 13 176.380 0.300 . 1 . . . . 53 LEU C . 11110 1 581 . 1 1 53 53 LEU CA C 13 54.234 0.300 . 1 . . . . 53 LEU CA . 11110 1 582 . 1 1 53 53 LEU CB C 13 42.587 0.300 . 1 . . . . 53 LEU CB . 11110 1 583 . 1 1 53 53 LEU CD1 C 13 24.677 0.300 . 2 . . . . 53 LEU CD1 . 11110 1 584 . 1 1 53 53 LEU CD2 C 13 24.913 0.300 . 2 . . . . 53 LEU CD2 . 11110 1 585 . 1 1 53 53 LEU CG C 13 27.392 0.300 . 1 . . . . 53 LEU CG . 11110 1 586 . 1 1 53 53 LEU N N 15 128.768 0.300 . 1 . . . . 53 LEU N . 11110 1 587 . 1 1 54 54 LEU H H 1 9.293 0.030 . 1 . . . . 54 LEU H . 11110 1 588 . 1 1 54 54 LEU HA H 1 5.014 0.030 . 1 . . . . 54 LEU HA . 11110 1 589 . 1 1 54 54 LEU HB2 H 1 1.718 0.030 . 1 . . . . 54 LEU HB2 . 11110 1 590 . 1 1 54 54 LEU HB3 H 1 1.718 0.030 . 1 . . . . 54 LEU HB3 . 11110 1 591 . 1 1 54 54 LEU HD11 H 1 0.604 0.030 . 1 . . . . 54 LEU HD1 . 11110 1 592 . 1 1 54 54 LEU HD12 H 1 0.604 0.030 . 1 . . . . 54 LEU HD1 . 11110 1 593 . 1 1 54 54 LEU HD13 H 1 0.604 0.030 . 1 . . . . 54 LEU HD1 . 11110 1 594 . 1 1 54 54 LEU HD21 H 1 0.623 0.030 . 1 . . . . 54 LEU HD2 . 11110 1 595 . 1 1 54 54 LEU HD22 H 1 0.623 0.030 . 1 . . . . 54 LEU HD2 . 11110 1 596 . 1 1 54 54 LEU HD23 H 1 0.623 0.030 . 1 . . . . 54 LEU HD2 . 11110 1 597 . 1 1 54 54 LEU HG H 1 1.421 0.030 . 1 . . . . 54 LEU HG . 11110 1 598 . 1 1 54 54 LEU C C 13 174.845 0.300 . 1 . . . . 54 LEU C . 11110 1 599 . 1 1 54 54 LEU CA C 13 51.484 0.300 . 1 . . . . 54 LEU CA . 11110 1 600 . 1 1 54 54 LEU CB C 13 44.212 0.300 . 1 . . . . 54 LEU CB . 11110 1 601 . 1 1 54 54 LEU CD1 C 13 26.380 0.300 . 2 . . . . 54 LEU CD1 . 11110 1 602 . 1 1 54 54 LEU CD2 C 13 22.990 0.300 . 2 . . . . 54 LEU CD2 . 11110 1 603 . 1 1 54 54 LEU CG C 13 26.405 0.300 . 1 . . . . 54 LEU CG . 11110 1 604 . 1 1 54 54 LEU N N 15 126.064 0.300 . 1 . . . . 54 LEU N . 11110 1 605 . 1 1 55 55 PRO HA H 1 4.785 0.030 . 1 . . . . 55 PRO HA . 11110 1 606 . 1 1 55 55 PRO HB2 H 1 2.394 0.030 . 2 . . . . 55 PRO HB2 . 11110 1 607 . 1 1 55 55 PRO HB3 H 1 2.220 0.030 . 2 . . . . 55 PRO HB3 . 11110 1 608 . 1 1 55 55 PRO HD2 H 1 3.873 0.030 . 2 . . . . 55 PRO HD2 . 11110 1 609 . 1 1 55 55 PRO HD3 H 1 3.748 0.030 . 2 . . . . 55 PRO HD3 . 11110 1 610 . 1 1 55 55 PRO HG2 H 1 2.123 0.030 . 1 . . . . 55 PRO HG2 . 11110 1 611 . 1 1 55 55 PRO HG3 H 1 2.123 0.030 . 1 . . . . 55 PRO HG3 . 11110 1 612 . 1 1 55 55 PRO C C 13 175.653 0.300 . 1 . . . . 55 PRO C . 11110 1 613 . 1 1 55 55 PRO CA C 13 62.508 0.300 . 1 . . . . 55 PRO CA . 11110 1 614 . 1 1 55 55 PRO CB C 13 32.409 0.300 . 1 . . . . 55 PRO CB . 11110 1 615 . 1 1 55 55 PRO CD C 13 50.477 0.300 . 1 . . . . 55 PRO CD . 11110 1 616 . 1 1 55 55 PRO CG C 13 27.135 0.300 . 1 . . . . 55 PRO CG . 11110 1 617 . 1 1 56 56 GLY H H 1 7.631 0.030 . 1 . . . . 56 GLY H . 11110 1 618 . 1 1 56 56 GLY HA2 H 1 3.829 0.030 . 2 . . . . 56 GLY HA2 . 11110 1 619 . 1 1 56 56 GLY HA3 H 1 3.668 0.030 . 2 . . . . 56 GLY HA3 . 11110 1 620 . 1 1 56 56 GLY C C 13 174.602 0.300 . 1 . . . . 56 GLY C . 11110 1 621 . 1 1 56 56 GLY CA C 13 45.196 0.300 . 1 . . . . 56 GLY CA . 11110 1 622 . 1 1 56 56 GLY N N 15 102.329 0.300 . 1 . . . . 56 GLY N . 11110 1 623 . 1 1 57 57 GLY H H 1 8.650 0.030 . 1 . . . . 57 GLY H . 11110 1 624 . 1 1 57 57 GLY HA2 H 1 4.112 0.030 . 1 . . . . 57 GLY HA2 . 11110 1 625 . 1 1 57 57 GLY HA3 H 1 4.112 0.030 . 1 . . . . 57 GLY HA3 . 11110 1 626 . 1 1 57 57 GLY C C 13 174.238 0.300 . 1 . . . . 57 GLY C . 11110 1 627 . 1 1 57 57 GLY CA C 13 45.384 0.300 . 1 . . . . 57 GLY CA . 11110 1 628 . 1 1 57 57 GLY N N 15 108.148 0.300 . 1 . . . . 57 GLY N . 11110 1 629 . 1 1 58 58 ILE H H 1 7.112 0.030 . 1 . . . . 58 ILE H . 11110 1 630 . 1 1 58 58 ILE HA H 1 4.564 0.030 . 1 . . . . 58 ILE HA . 11110 1 631 . 1 1 58 58 ILE HB H 1 2.187 0.030 . 1 . . . . 58 ILE HB . 11110 1 632 . 1 1 58 58 ILE HD11 H 1 1.139 0.030 . 1 . . . . 58 ILE HD1 . 11110 1 633 . 1 1 58 58 ILE HD12 H 1 1.139 0.030 . 1 . . . . 58 ILE HD1 . 11110 1 634 . 1 1 58 58 ILE HD13 H 1 1.139 0.030 . 1 . . . . 58 ILE HD1 . 11110 1 635 . 1 1 58 58 ILE HG12 H 1 1.669 0.030 . 2 . . . . 58 ILE HG12 . 11110 1 636 . 1 1 58 58 ILE HG13 H 1 1.607 0.030 . 2 . . . . 58 ILE HG13 . 11110 1 637 . 1 1 58 58 ILE HG21 H 1 1.121 0.030 . 1 . . . . 58 ILE HG2 . 11110 1 638 . 1 1 58 58 ILE HG22 H 1 1.121 0.030 . 1 . . . . 58 ILE HG2 . 11110 1 639 . 1 1 58 58 ILE HG23 H 1 1.121 0.030 . 1 . . . . 58 ILE HG2 . 11110 1 640 . 1 1 58 58 ILE C C 13 175.703 0.300 . 1 . . . . 58 ILE C . 11110 1 641 . 1 1 58 58 ILE CA C 13 59.680 0.300 . 1 . . . . 58 ILE CA . 11110 1 642 . 1 1 58 58 ILE CB C 13 40.319 0.300 . 1 . . . . 58 ILE CB . 11110 1 643 . 1 1 58 58 ILE CD1 C 13 14.031 0.300 . 1 . . . . 58 ILE CD1 . 11110 1 644 . 1 1 58 58 ILE CG1 C 13 26.228 0.300 . 1 . . . . 58 ILE CG1 . 11110 1 645 . 1 1 58 58 ILE CG2 C 13 18.946 0.300 . 1 . . . . 58 ILE CG2 . 11110 1 646 . 1 1 58 58 ILE N N 15 115.565 0.300 . 1 . . . . 58 ILE N . 11110 1 647 . 1 1 59 59 THR H H 1 8.025 0.030 . 1 . . . . 59 THR H . 11110 1 648 . 1 1 59 59 THR HA H 1 2.978 0.030 . 1 . . . . 59 THR HA . 11110 1 649 . 1 1 59 59 THR HB H 1 4.460 0.030 . 1 . . . . 59 THR HB . 11110 1 650 . 1 1 59 59 THR HG21 H 1 0.922 0.030 . 1 . . . . 59 THR HG2 . 11110 1 651 . 1 1 59 59 THR HG22 H 1 0.922 0.030 . 1 . . . . 59 THR HG2 . 11110 1 652 . 1 1 59 59 THR HG23 H 1 0.922 0.030 . 1 . . . . 59 THR HG2 . 11110 1 653 . 1 1 59 59 THR C C 13 171.943 0.300 . 1 . . . . 59 THR C . 11110 1 654 . 1 1 59 59 THR CA C 13 59.410 0.300 . 1 . . . . 59 THR CA . 11110 1 655 . 1 1 59 59 THR CB C 13 69.177 0.300 . 1 . . . . 59 THR CB . 11110 1 656 . 1 1 59 59 THR CG2 C 13 22.503 0.300 . 1 . . . . 59 THR CG2 . 11110 1 657 . 1 1 59 59 THR N N 15 109.057 0.300 . 1 . . . . 59 THR N . 11110 1 658 . 1 1 60 60 SER H H 1 6.585 0.030 . 1 . . . . 60 SER H . 11110 1 659 . 1 1 60 60 SER HA H 1 4.644 0.030 . 1 . . . . 60 SER HA . 11110 1 660 . 1 1 60 60 SER HB2 H 1 3.623 0.030 . 2 . . . . 60 SER HB2 . 11110 1 661 . 1 1 60 60 SER HB3 H 1 3.483 0.030 . 2 . . . . 60 SER HB3 . 11110 1 662 . 1 1 60 60 SER C C 13 173.218 0.300 . 1 . . . . 60 SER C . 11110 1 663 . 1 1 60 60 SER CA C 13 56.782 0.300 . 1 . . . . 60 SER CA . 11110 1 664 . 1 1 60 60 SER CB C 13 65.894 0.300 . 1 . . . . 60 SER CB . 11110 1 665 . 1 1 60 60 SER N N 15 111.797 0.300 . 1 . . . . 60 SER N . 11110 1 666 . 1 1 61 61 HIS H H 1 8.915 0.030 . 1 . . . . 61 HIS H . 11110 1 667 . 1 1 61 61 HIS HA H 1 4.564 0.030 . 1 . . . . 61 HIS HA . 11110 1 668 . 1 1 61 61 HIS HB2 H 1 2.634 0.030 . 2 . . . . 61 HIS HB2 . 11110 1 669 . 1 1 61 61 HIS HB3 H 1 3.114 0.030 . 2 . . . . 61 HIS HB3 . 11110 1 670 . 1 1 61 61 HIS HD2 H 1 6.325 0.030 . 1 . . . . 61 HIS HD2 . 11110 1 671 . 1 1 61 61 HIS HE1 H 1 7.758 0.030 . 1 . . . . 61 HIS HE1 . 11110 1 672 . 1 1 61 61 HIS C C 13 172.804 0.300 . 1 . . . . 61 HIS C . 11110 1 673 . 1 1 61 61 HIS CA C 13 57.560 0.300 . 1 . . . . 61 HIS CA . 11110 1 674 . 1 1 61 61 HIS CB C 13 34.462 0.300 . 1 . . . . 61 HIS CB . 11110 1 675 . 1 1 61 61 HIS CD2 C 13 120.198 0.300 . 1 . . . . 61 HIS CD2 . 11110 1 676 . 1 1 61 61 HIS CE1 C 13 139.186 0.300 . 1 . . . . 61 HIS CE1 . 11110 1 677 . 1 1 61 61 HIS N N 15 117.246 0.300 . 1 . . . . 61 HIS N . 11110 1 678 . 1 1 62 62 GLN H H 1 7.907 0.030 . 1 . . . . 62 GLN H . 11110 1 679 . 1 1 62 62 GLN HA H 1 4.455 0.030 . 1 . . . . 62 GLN HA . 11110 1 680 . 1 1 62 62 GLN HB2 H 1 1.573 0.030 . 2 . . . . 62 GLN HB2 . 11110 1 681 . 1 1 62 62 GLN HB3 H 1 1.833 0.030 . 2 . . . . 62 GLN HB3 . 11110 1 682 . 1 1 62 62 GLN HE21 H 1 6.931 0.030 . 2 . . . . 62 GLN HE21 . 11110 1 683 . 1 1 62 62 GLN HE22 H 1 6.790 0.030 . 2 . . . . 62 GLN HE22 . 11110 1 684 . 1 1 62 62 GLN HG2 H 1 2.043 0.030 . 2 . . . . 62 GLN HG2 . 11110 1 685 . 1 1 62 62 GLN HG3 H 1 1.694 0.030 . 2 . . . . 62 GLN HG3 . 11110 1 686 . 1 1 62 62 GLN C C 13 173.652 0.300 . 1 . . . . 62 GLN C . 11110 1 687 . 1 1 62 62 GLN CA C 13 54.424 0.300 . 1 . . . . 62 GLN CA . 11110 1 688 . 1 1 62 62 GLN CB C 13 29.679 0.300 . 1 . . . . 62 GLN CB . 11110 1 689 . 1 1 62 62 GLN CG C 13 34.031 0.300 . 1 . . . . 62 GLN CG . 11110 1 690 . 1 1 62 62 GLN N N 15 128.455 0.300 . 1 . . . . 62 GLN N . 11110 1 691 . 1 1 62 62 GLN NE2 N 15 111.991 0.300 . 1 . . . . 62 GLN NE2 . 11110 1 692 . 1 1 63 63 LEU H H 1 9.012 0.030 . 1 . . . . 63 LEU H . 11110 1 693 . 1 1 63 63 LEU HA H 1 4.348 0.030 . 1 . . . . 63 LEU HA . 11110 1 694 . 1 1 63 63 LEU HB2 H 1 1.627 0.030 . 2 . . . . 63 LEU HB2 . 11110 1 695 . 1 1 63 63 LEU HB3 H 1 0.941 0.030 . 2 . . . . 63 LEU HB3 . 11110 1 696 . 1 1 63 63 LEU HD11 H 1 0.269 0.030 . 1 . . . . 63 LEU HD1 . 11110 1 697 . 1 1 63 63 LEU HD12 H 1 0.269 0.030 . 1 . . . . 63 LEU HD1 . 11110 1 698 . 1 1 63 63 LEU HD13 H 1 0.269 0.030 . 1 . . . . 63 LEU HD1 . 11110 1 699 . 1 1 63 63 LEU HD21 H 1 0.400 0.030 . 1 . . . . 63 LEU HD2 . 11110 1 700 . 1 1 63 63 LEU HD22 H 1 0.400 0.030 . 1 . . . . 63 LEU HD2 . 11110 1 701 . 1 1 63 63 LEU HD23 H 1 0.400 0.030 . 1 . . . . 63 LEU HD2 . 11110 1 702 . 1 1 63 63 LEU HG H 1 1.365 0.030 . 1 . . . . 63 LEU HG . 11110 1 703 . 1 1 63 63 LEU C C 13 176.026 0.300 . 1 . . . . 63 LEU C . 11110 1 704 . 1 1 63 63 LEU CA C 13 54.253 0.300 . 1 . . . . 63 LEU CA . 11110 1 705 . 1 1 63 63 LEU CB C 13 42.862 0.300 . 1 . . . . 63 LEU CB . 11110 1 706 . 1 1 63 63 LEU CD1 C 13 25.063 0.300 . 2 . . . . 63 LEU CD1 . 11110 1 707 . 1 1 63 63 LEU CD2 C 13 23.399 0.300 . 2 . . . . 63 LEU CD2 . 11110 1 708 . 1 1 63 63 LEU CG C 13 26.487 0.300 . 1 . . . . 63 LEU CG . 11110 1 709 . 1 1 63 63 LEU N N 15 127.641 0.300 . 1 . . . . 63 LEU N . 11110 1 710 . 1 1 64 64 LEU H H 1 8.075 0.030 . 1 . . . . 64 LEU H . 11110 1 711 . 1 1 64 64 LEU HA H 1 4.744 0.030 . 1 . . . . 64 LEU HA . 11110 1 712 . 1 1 64 64 LEU HB2 H 1 1.591 0.030 . 2 . . . . 64 LEU HB2 . 11110 1 713 . 1 1 64 64 LEU HB3 H 1 1.496 0.030 . 2 . . . . 64 LEU HB3 . 11110 1 714 . 1 1 64 64 LEU HD11 H 1 0.820 0.030 . 1 . . . . 64 LEU HD1 . 11110 1 715 . 1 1 64 64 LEU HD12 H 1 0.820 0.030 . 1 . . . . 64 LEU HD1 . 11110 1 716 . 1 1 64 64 LEU HD13 H 1 0.820 0.030 . 1 . . . . 64 LEU HD1 . 11110 1 717 . 1 1 64 64 LEU HD21 H 1 0.753 0.030 . 1 . . . . 64 LEU HD2 . 11110 1 718 . 1 1 64 64 LEU HD22 H 1 0.753 0.030 . 1 . . . . 64 LEU HD2 . 11110 1 719 . 1 1 64 64 LEU HD23 H 1 0.753 0.030 . 1 . . . . 64 LEU HD2 . 11110 1 720 . 1 1 64 64 LEU HG H 1 1.423 0.030 . 1 . . . . 64 LEU HG . 11110 1 721 . 1 1 64 64 LEU C C 13 176.875 0.300 . 1 . . . . 64 LEU C . 11110 1 722 . 1 1 64 64 LEU CA C 13 53.270 0.300 . 1 . . . . 64 LEU CA . 11110 1 723 . 1 1 64 64 LEU CB C 13 45.070 0.300 . 1 . . . . 64 LEU CB . 11110 1 724 . 1 1 64 64 LEU CD1 C 13 25.349 0.300 . 2 . . . . 64 LEU CD1 . 11110 1 725 . 1 1 64 64 LEU CD2 C 13 23.530 0.300 . 2 . . . . 64 LEU CD2 . 11110 1 726 . 1 1 64 64 LEU CG C 13 26.908 0.300 . 1 . . . . 64 LEU CG . 11110 1 727 . 1 1 64 64 LEU N N 15 121.712 0.300 . 1 . . . . 64 LEU N . 11110 1 728 . 1 1 65 65 GLY H H 1 8.414 0.030 . 1 . . . . 65 GLY H . 11110 1 729 . 1 1 65 65 GLY HA2 H 1 3.825 0.030 . 2 . . . . 65 GLY HA2 . 11110 1 730 . 1 1 65 65 GLY HA3 H 1 3.736 0.030 . 2 . . . . 65 GLY HA3 . 11110 1 731 . 1 1 65 65 GLY C C 13 175.460 0.300 . 1 . . . . 65 GLY C . 11110 1 732 . 1 1 65 65 GLY CA C 13 46.621 0.300 . 1 . . . . 65 GLY CA . 11110 1 733 . 1 1 65 65 GLY N N 15 107.597 0.300 . 1 . . . . 65 GLY N . 11110 1 734 . 1 1 66 66 LEU H H 1 8.344 0.030 . 1 . . . . 66 LEU H . 11110 1 735 . 1 1 66 66 LEU HA H 1 4.160 0.030 . 1 . . . . 66 LEU HA . 11110 1 736 . 1 1 66 66 LEU HB2 H 1 1.446 0.030 . 2 . . . . 66 LEU HB2 . 11110 1 737 . 1 1 66 66 LEU HB3 H 1 1.085 0.030 . 2 . . . . 66 LEU HB3 . 11110 1 738 . 1 1 66 66 LEU HD11 H 1 0.210 0.030 . 1 . . . . 66 LEU HD1 . 11110 1 739 . 1 1 66 66 LEU HD12 H 1 0.210 0.030 . 1 . . . . 66 LEU HD1 . 11110 1 740 . 1 1 66 66 LEU HD13 H 1 0.210 0.030 . 1 . . . . 66 LEU HD1 . 11110 1 741 . 1 1 66 66 LEU HD21 H 1 0.151 0.030 . 1 . . . . 66 LEU HD2 . 11110 1 742 . 1 1 66 66 LEU HD22 H 1 0.151 0.030 . 1 . . . . 66 LEU HD2 . 11110 1 743 . 1 1 66 66 LEU HD23 H 1 0.151 0.030 . 1 . . . . 66 LEU HD2 . 11110 1 744 . 1 1 66 66 LEU HG H 1 0.994 0.030 . 1 . . . . 66 LEU HG . 11110 1 745 . 1 1 66 66 LEU C C 13 175.421 0.300 . 1 . . . . 66 LEU C . 11110 1 746 . 1 1 66 66 LEU CA C 13 53.409 0.300 . 1 . . . . 66 LEU CA . 11110 1 747 . 1 1 66 66 LEU CB C 13 40.631 0.300 . 1 . . . . 66 LEU CB . 11110 1 748 . 1 1 66 66 LEU CD1 C 13 25.698 0.300 . 2 . . . . 66 LEU CD1 . 11110 1 749 . 1 1 66 66 LEU CD2 C 13 20.253 0.300 . 2 . . . . 66 LEU CD2 . 11110 1 750 . 1 1 66 66 LEU CG C 13 26.431 0.300 . 1 . . . . 66 LEU CG . 11110 1 751 . 1 1 66 66 LEU N N 15 118.488 0.300 . 1 . . . . 66 LEU N . 11110 1 752 . 1 1 67 67 PHE H H 1 8.338 0.030 . 1 . . . . 67 PHE H . 11110 1 753 . 1 1 67 67 PHE HA H 1 5.130 0.030 . 1 . . . . 67 PHE HA . 11110 1 754 . 1 1 67 67 PHE HB2 H 1 3.201 0.030 . 2 . . . . 67 PHE HB2 . 11110 1 755 . 1 1 67 67 PHE HB3 H 1 3.014 0.030 . 2 . . . . 67 PHE HB3 . 11110 1 756 . 1 1 67 67 PHE HD1 H 1 7.386 0.030 . 1 . . . . 67 PHE HD1 . 11110 1 757 . 1 1 67 67 PHE HD2 H 1 7.386 0.030 . 1 . . . . 67 PHE HD2 . 11110 1 758 . 1 1 67 67 PHE HE1 H 1 7.449 0.030 . 1 . . . . 67 PHE HE1 . 11110 1 759 . 1 1 67 67 PHE HE2 H 1 7.449 0.030 . 1 . . . . 67 PHE HE2 . 11110 1 760 . 1 1 67 67 PHE C C 13 174.279 0.300 . 1 . . . . 67 PHE C . 11110 1 761 . 1 1 67 67 PHE CA C 13 54.945 0.300 . 1 . . . . 67 PHE CA . 11110 1 762 . 1 1 67 67 PHE CB C 13 39.914 0.300 . 1 . . . . 67 PHE CB . 11110 1 763 . 1 1 67 67 PHE CD1 C 13 131.502 0.300 . 1 . . . . 67 PHE CD1 . 11110 1 764 . 1 1 67 67 PHE CD2 C 13 131.502 0.300 . 1 . . . . 67 PHE CD2 . 11110 1 765 . 1 1 67 67 PHE CE1 C 13 131.520 0.300 . 1 . . . . 67 PHE CE1 . 11110 1 766 . 1 1 67 67 PHE CE2 C 13 131.520 0.300 . 1 . . . . 67 PHE CE2 . 11110 1 767 . 1 1 67 67 PHE N N 15 119.720 0.300 . 1 . . . . 67 PHE N . 11110 1 768 . 1 1 68 68 PRO HA H 1 5.359 0.030 . 1 . . . . 68 PRO HA . 11110 1 769 . 1 1 68 68 PRO HB2 H 1 2.514 0.030 . 2 . . . . 68 PRO HB2 . 11110 1 770 . 1 1 68 68 PRO HB3 H 1 2.001 0.030 . 2 . . . . 68 PRO HB3 . 11110 1 771 . 1 1 68 68 PRO HD2 H 1 3.929 0.030 . 2 . . . . 68 PRO HD2 . 11110 1 772 . 1 1 68 68 PRO HD3 H 1 3.630 0.030 . 2 . . . . 68 PRO HD3 . 11110 1 773 . 1 1 68 68 PRO HG2 H 1 1.790 0.030 . 2 . . . . 68 PRO HG2 . 11110 1 774 . 1 1 68 68 PRO HG3 H 1 2.042 0.030 . 2 . . . . 68 PRO HG3 . 11110 1 775 . 1 1 68 68 PRO C C 13 177.754 0.300 . 1 . . . . 68 PRO C . 11110 1 776 . 1 1 68 68 PRO CA C 13 63.087 0.300 . 1 . . . . 68 PRO CA . 11110 1 777 . 1 1 68 68 PRO CB C 13 33.494 0.300 . 1 . . . . 68 PRO CB . 11110 1 778 . 1 1 68 68 PRO CD C 13 51.165 0.300 . 1 . . . . 68 PRO CD . 11110 1 779 . 1 1 68 68 PRO CG C 13 27.521 0.300 . 1 . . . . 68 PRO CG . 11110 1 780 . 1 1 69 69 SER H H 1 8.117 0.030 . 1 . . . . 69 SER H . 11110 1 781 . 1 1 69 69 SER HA H 1 3.869 0.030 . 1 . . . . 69 SER HA . 11110 1 782 . 1 1 69 69 SER HB2 H 1 4.024 0.030 . 2 . . . . 69 SER HB2 . 11110 1 783 . 1 1 69 69 SER HB3 H 1 3.707 0.030 . 2 . . . . 69 SER HB3 . 11110 1 784 . 1 1 69 69 SER C C 13 174.140 0.300 . 1 . . . . 69 SER C . 11110 1 785 . 1 1 69 69 SER CA C 13 58.238 0.300 . 1 . . . . 69 SER CA . 11110 1 786 . 1 1 69 69 SER CB C 13 62.058 0.300 . 1 . . . . 69 SER CB . 11110 1 787 . 1 1 69 69 SER N N 15 120.569 0.300 . 1 . . . . 69 SER N . 11110 1 788 . 1 1 70 70 THR H H 1 8.614 0.030 . 1 . . . . 70 THR H . 11110 1 789 . 1 1 70 70 THR HA H 1 4.452 0.030 . 1 . . . . 70 THR HA . 11110 1 790 . 1 1 70 70 THR HB H 1 4.072 0.030 . 1 . . . . 70 THR HB . 11110 1 791 . 1 1 70 70 THR HG21 H 1 0.756 0.030 . 1 . . . . 70 THR HG2 . 11110 1 792 . 1 1 70 70 THR HG22 H 1 0.756 0.030 . 1 . . . . 70 THR HG2 . 11110 1 793 . 1 1 70 70 THR HG23 H 1 0.756 0.030 . 1 . . . . 70 THR HG2 . 11110 1 794 . 1 1 70 70 THR C C 13 171.825 0.300 . 1 . . . . 70 THR C . 11110 1 795 . 1 1 70 70 THR CA C 13 62.673 0.300 . 1 . . . . 70 THR CA . 11110 1 796 . 1 1 70 70 THR CB C 13 71.431 0.300 . 1 . . . . 70 THR CB . 11110 1 797 . 1 1 70 70 THR CG2 C 13 20.896 0.300 . 1 . . . . 70 THR CG2 . 11110 1 798 . 1 1 70 70 THR N N 15 116.514 0.300 . 1 . . . . 70 THR N . 11110 1 799 . 1 1 71 71 SER H H 1 8.479 0.030 . 1 . . . . 71 SER H . 11110 1 800 . 1 1 71 71 SER HA H 1 4.918 0.030 . 1 . . . . 71 SER HA . 11110 1 801 . 1 1 71 71 SER HB2 H 1 3.716 0.030 . 2 . . . . 71 SER HB2 . 11110 1 802 . 1 1 71 71 SER HB3 H 1 3.554 0.030 . 2 . . . . 71 SER HB3 . 11110 1 803 . 1 1 71 71 SER C C 13 172.309 0.300 . 1 . . . . 71 SER C . 11110 1 804 . 1 1 71 71 SER CA C 13 57.987 0.300 . 1 . . . . 71 SER CA . 11110 1 805 . 1 1 71 71 SER CB C 13 63.686 0.300 . 1 . . . . 71 SER CB . 11110 1 806 . 1 1 71 71 SER N N 15 121.991 0.300 . 1 . . . . 71 SER N . 11110 1 807 . 1 1 72 72 TYR H H 1 8.963 0.030 . 1 . . . . 72 TYR H . 11110 1 808 . 1 1 72 72 TYR HA H 1 4.604 0.030 . 1 . . . . 72 TYR HA . 11110 1 809 . 1 1 72 72 TYR HB2 H 1 2.010 0.030 . 2 . . . . 72 TYR HB2 . 11110 1 810 . 1 1 72 72 TYR HB3 H 1 1.111 0.030 . 2 . . . . 72 TYR HB3 . 11110 1 811 . 1 1 72 72 TYR HD1 H 1 6.731 0.030 . 1 . . . . 72 TYR HD1 . 11110 1 812 . 1 1 72 72 TYR HD2 H 1 6.731 0.030 . 1 . . . . 72 TYR HD2 . 11110 1 813 . 1 1 72 72 TYR HE1 H 1 6.912 0.030 . 1 . . . . 72 TYR HE1 . 11110 1 814 . 1 1 72 72 TYR HE2 H 1 6.912 0.030 . 1 . . . . 72 TYR HE2 . 11110 1 815 . 1 1 72 72 TYR C C 13 174.784 0.300 . 1 . . . . 72 TYR C . 11110 1 816 . 1 1 72 72 TYR CA C 13 57.572 0.300 . 1 . . . . 72 TYR CA . 11110 1 817 . 1 1 72 72 TYR CB C 13 43.239 0.300 . 1 . . . . 72 TYR CB . 11110 1 818 . 1 1 72 72 TYR CD1 C 13 133.243 0.300 . 1 . . . . 72 TYR CD1 . 11110 1 819 . 1 1 72 72 TYR CD2 C 13 133.243 0.300 . 1 . . . . 72 TYR CD2 . 11110 1 820 . 1 1 72 72 TYR CE1 C 13 118.386 0.300 . 1 . . . . 72 TYR CE1 . 11110 1 821 . 1 1 72 72 TYR CE2 C 13 118.386 0.300 . 1 . . . . 72 TYR CE2 . 11110 1 822 . 1 1 72 72 TYR N N 15 122.587 0.300 . 1 . . . . 72 TYR N . 11110 1 823 . 1 1 73 73 ASN H H 1 8.373 0.030 . 1 . . . . 73 ASN H . 11110 1 824 . 1 1 73 73 ASN HA H 1 5.173 0.030 . 1 . . . . 73 ASN HA . 11110 1 825 . 1 1 73 73 ASN HB2 H 1 2.469 0.030 . 2 . . . . 73 ASN HB2 . 11110 1 826 . 1 1 73 73 ASN HB3 H 1 2.235 0.030 . 2 . . . . 73 ASN HB3 . 11110 1 827 . 1 1 73 73 ASN HD21 H 1 7.168 0.030 . 2 . . . . 73 ASN HD21 . 11110 1 828 . 1 1 73 73 ASN HD22 H 1 6.814 0.030 . 2 . . . . 73 ASN HD22 . 11110 1 829 . 1 1 73 73 ASN C C 13 173.623 0.300 . 1 . . . . 73 ASN C . 11110 1 830 . 1 1 73 73 ASN CA C 13 52.201 0.300 . 1 . . . . 73 ASN CA . 11110 1 831 . 1 1 73 73 ASN CB C 13 41.601 0.300 . 1 . . . . 73 ASN CB . 11110 1 832 . 1 1 73 73 ASN N N 15 118.083 0.300 . 1 . . . . 73 ASN N . 11110 1 833 . 1 1 73 73 ASN ND2 N 15 111.744 0.300 . 1 . . . . 73 ASN ND2 . 11110 1 834 . 1 1 74 74 ALA H H 1 8.970 0.030 . 1 . . . . 74 ALA H . 11110 1 835 . 1 1 74 74 ALA HA H 1 5.554 0.030 . 1 . . . . 74 ALA HA . 11110 1 836 . 1 1 74 74 ALA HB1 H 1 1.306 0.030 . 1 . . . . 74 ALA HB . 11110 1 837 . 1 1 74 74 ALA HB2 H 1 1.306 0.030 . 1 . . . . 74 ALA HB . 11110 1 838 . 1 1 74 74 ALA HB3 H 1 1.306 0.030 . 1 . . . . 74 ALA HB . 11110 1 839 . 1 1 74 74 ALA C C 13 174.844 0.300 . 1 . . . . 74 ALA C . 11110 1 840 . 1 1 74 74 ALA CA C 13 50.248 0.300 . 1 . . . . 74 ALA CA . 11110 1 841 . 1 1 74 74 ALA CB C 13 22.629 0.300 . 1 . . . . 74 ALA CB . 11110 1 842 . 1 1 74 74 ALA N N 15 124.593 0.300 . 1 . . . . 74 ALA N . 11110 1 843 . 1 1 75 75 ARG H H 1 9.438 0.030 . 1 . . . . 75 ARG H . 11110 1 844 . 1 1 75 75 ARG HA H 1 5.128 0.030 . 1 . . . . 75 ARG HA . 11110 1 845 . 1 1 75 75 ARG HB2 H 1 1.800 0.030 . 2 . . . . 75 ARG HB2 . 11110 1 846 . 1 1 75 75 ARG HB3 H 1 1.593 0.030 . 2 . . . . 75 ARG HB3 . 11110 1 847 . 1 1 75 75 ARG HD2 H 1 3.123 0.030 . 2 . . . . 75 ARG HD2 . 11110 1 848 . 1 1 75 75 ARG HD3 H 1 3.009 0.030 . 2 . . . . 75 ARG HD3 . 11110 1 849 . 1 1 75 75 ARG HG2 H 1 1.579 0.030 . 1 . . . . 75 ARG HG2 . 11110 1 850 . 1 1 75 75 ARG HG3 H 1 1.579 0.030 . 1 . . . . 75 ARG HG3 . 11110 1 851 . 1 1 75 75 ARG C C 13 173.572 0.300 . 1 . . . . 75 ARG C . 11110 1 852 . 1 1 75 75 ARG CA C 13 54.439 0.300 . 1 . . . . 75 ARG CA . 11110 1 853 . 1 1 75 75 ARG CB C 13 33.971 0.300 . 1 . . . . 75 ARG CB . 11110 1 854 . 1 1 75 75 ARG CD C 13 43.791 0.300 . 1 . . . . 75 ARG CD . 11110 1 855 . 1 1 75 75 ARG CG C 13 27.220 0.300 . 1 . . . . 75 ARG CG . 11110 1 856 . 1 1 75 75 ARG N N 15 120.213 0.300 . 1 . . . . 75 ARG N . 11110 1 857 . 1 1 76 76 LEU H H 1 9.069 0.030 . 1 . . . . 76 LEU H . 11110 1 858 . 1 1 76 76 LEU HA H 1 4.968 0.030 . 1 . . . . 76 LEU HA . 11110 1 859 . 1 1 76 76 LEU HB2 H 1 1.534 0.030 . 2 . . . . 76 LEU HB2 . 11110 1 860 . 1 1 76 76 LEU HB3 H 1 0.611 0.030 . 2 . . . . 76 LEU HB3 . 11110 1 861 . 1 1 76 76 LEU HD11 H 1 -0.236 0.030 . 1 . . . . 76 LEU HD1 . 11110 1 862 . 1 1 76 76 LEU HD12 H 1 -0.236 0.030 . 1 . . . . 76 LEU HD1 . 11110 1 863 . 1 1 76 76 LEU HD13 H 1 -0.236 0.030 . 1 . . . . 76 LEU HD1 . 11110 1 864 . 1 1 76 76 LEU HD21 H 1 -0.981 0.030 . 1 . . . . 76 LEU HD2 . 11110 1 865 . 1 1 76 76 LEU HD22 H 1 -0.981 0.030 . 1 . . . . 76 LEU HD2 . 11110 1 866 . 1 1 76 76 LEU HD23 H 1 -0.981 0.030 . 1 . . . . 76 LEU HD2 . 11110 1 867 . 1 1 76 76 LEU HG H 1 0.624 0.030 . 1 . . . . 76 LEU HG . 11110 1 868 . 1 1 76 76 LEU C C 13 175.976 0.300 . 1 . . . . 76 LEU C . 11110 1 869 . 1 1 76 76 LEU CA C 13 53.423 0.300 . 1 . . . . 76 LEU CA . 11110 1 870 . 1 1 76 76 LEU CB C 13 46.958 0.300 . 1 . . . . 76 LEU CB . 11110 1 871 . 1 1 76 76 LEU CD1 C 13 23.119 0.300 . 2 . . . . 76 LEU CD1 . 11110 1 872 . 1 1 76 76 LEU CD2 C 13 24.384 0.300 . 2 . . . . 76 LEU CD2 . 11110 1 873 . 1 1 76 76 LEU CG C 13 26.801 0.300 . 1 . . . . 76 LEU CG . 11110 1 874 . 1 1 76 76 LEU N N 15 123.707 0.300 . 1 . . . . 76 LEU N . 11110 1 875 . 1 1 77 77 GLN H H 1 8.930 0.030 . 1 . . . . 77 GLN H . 11110 1 876 . 1 1 77 77 GLN HA H 1 4.960 0.030 . 1 . . . . 77 GLN HA . 11110 1 877 . 1 1 77 77 GLN HB2 H 1 2.247 0.030 . 2 . . . . 77 GLN HB2 . 11110 1 878 . 1 1 77 77 GLN HB3 H 1 1.940 0.030 . 2 . . . . 77 GLN HB3 . 11110 1 879 . 1 1 77 77 GLN HE21 H 1 7.753 0.030 . 2 . . . . 77 GLN HE21 . 11110 1 880 . 1 1 77 77 GLN HE22 H 1 7.122 0.030 . 2 . . . . 77 GLN HE22 . 11110 1 881 . 1 1 77 77 GLN HG2 H 1 2.263 0.030 . 2 . . . . 77 GLN HG2 . 11110 1 882 . 1 1 77 77 GLN HG3 H 1 2.050 0.030 . 2 . . . . 77 GLN HG3 . 11110 1 883 . 1 1 77 77 GLN C C 13 174.784 0.300 . 1 . . . . 77 GLN C . 11110 1 884 . 1 1 77 77 GLN CA C 13 54.203 0.300 . 1 . . . . 77 GLN CA . 11110 1 885 . 1 1 77 77 GLN CB C 13 33.662 0.300 . 1 . . . . 77 GLN CB . 11110 1 886 . 1 1 77 77 GLN CG C 13 35.856 0.300 . 1 . . . . 77 GLN CG . 11110 1 887 . 1 1 77 77 GLN N N 15 126.194 0.300 . 1 . . . . 77 GLN N . 11110 1 888 . 1 1 77 77 GLN NE2 N 15 113.741 0.300 . 1 . . . . 77 GLN NE2 . 11110 1 889 . 1 1 78 78 ALA H H 1 8.570 0.030 . 1 . . . . 78 ALA H . 11110 1 890 . 1 1 78 78 ALA HA H 1 4.402 0.030 . 1 . . . . 78 ALA HA . 11110 1 891 . 1 1 78 78 ALA HB1 H 1 1.268 0.030 . 1 . . . . 78 ALA HB . 11110 1 892 . 1 1 78 78 ALA HB2 H 1 1.268 0.030 . 1 . . . . 78 ALA HB . 11110 1 893 . 1 1 78 78 ALA HB3 H 1 1.268 0.030 . 1 . . . . 78 ALA HB . 11110 1 894 . 1 1 78 78 ALA C C 13 174.723 0.300 . 1 . . . . 78 ALA C . 11110 1 895 . 1 1 78 78 ALA CA C 13 51.851 0.300 . 1 . . . . 78 ALA CA . 11110 1 896 . 1 1 78 78 ALA CB C 13 20.415 0.300 . 1 . . . . 78 ALA CB . 11110 1 897 . 1 1 78 78 ALA N N 15 126.733 0.300 . 1 . . . . 78 ALA N . 11110 1 898 . 1 1 79 79 MET H H 1 7.899 0.030 . 1 . . . . 79 MET H . 11110 1 899 . 1 1 79 79 MET HA H 1 4.974 0.030 . 1 . . . . 79 MET HA . 11110 1 900 . 1 1 79 79 MET HB2 H 1 1.794 0.030 . 2 . . . . 79 MET HB2 . 11110 1 901 . 1 1 79 79 MET HB3 H 1 1.393 0.030 . 2 . . . . 79 MET HB3 . 11110 1 902 . 1 1 79 79 MET HE1 H 1 1.823 0.030 . 1 . . . . 79 MET HE . 11110 1 903 . 1 1 79 79 MET HE2 H 1 1.823 0.030 . 1 . . . . 79 MET HE . 11110 1 904 . 1 1 79 79 MET HE3 H 1 1.823 0.030 . 1 . . . . 79 MET HE . 11110 1 905 . 1 1 79 79 MET HG2 H 1 2.151 0.030 . 2 . . . . 79 MET HG2 . 11110 1 906 . 1 1 79 79 MET HG3 H 1 2.046 0.030 . 2 . . . . 79 MET HG3 . 11110 1 907 . 1 1 79 79 MET C C 13 174.481 0.300 . 1 . . . . 79 MET C . 11110 1 908 . 1 1 79 79 MET CA C 13 54.792 0.300 . 1 . . . . 79 MET CA . 11110 1 909 . 1 1 79 79 MET CB C 13 35.759 0.300 . 1 . . . . 79 MET CB . 11110 1 910 . 1 1 79 79 MET CE C 13 16.769 0.300 . 1 . . . . 79 MET CE . 11110 1 911 . 1 1 79 79 MET CG C 13 31.429 0.300 . 1 . . . . 79 MET CG . 11110 1 912 . 1 1 79 79 MET N N 15 119.008 0.300 . 1 . . . . 79 MET N . 11110 1 913 . 1 1 80 80 TRP H H 1 8.482 0.030 . 1 . . . . 80 TRP H . 11110 1 914 . 1 1 80 80 TRP HA H 1 4.633 0.030 . 1 . . . . 80 TRP HA . 11110 1 915 . 1 1 80 80 TRP HB2 H 1 3.143 0.030 . 2 . . . . 80 TRP HB2 . 11110 1 916 . 1 1 80 80 TRP HB3 H 1 2.990 0.030 . 2 . . . . 80 TRP HB3 . 11110 1 917 . 1 1 80 80 TRP HD1 H 1 7.117 0.030 . 1 . . . . 80 TRP HD1 . 11110 1 918 . 1 1 80 80 TRP HE1 H 1 9.741 0.030 . 1 . . . . 80 TRP HE1 . 11110 1 919 . 1 1 80 80 TRP HE3 H 1 7.535 0.030 . 1 . . . . 80 TRP HE3 . 11110 1 920 . 1 1 80 80 TRP HH2 H 1 7.170 0.030 . 1 . . . . 80 TRP HH2 . 11110 1 921 . 1 1 80 80 TRP HZ2 H 1 7.444 0.030 . 1 . . . . 80 TRP HZ2 . 11110 1 922 . 1 1 80 80 TRP HZ3 H 1 6.992 0.030 . 1 . . . . 80 TRP HZ3 . 11110 1 923 . 1 1 80 80 TRP C C 13 176.107 0.300 . 1 . . . . 80 TRP C . 11110 1 924 . 1 1 80 80 TRP CA C 13 57.560 0.300 . 1 . . . . 80 TRP CA . 11110 1 925 . 1 1 80 80 TRP CB C 13 31.097 0.300 . 1 . . . . 80 TRP CB . 11110 1 926 . 1 1 80 80 TRP CD1 C 13 126.301 0.300 . 1 . . . . 80 TRP CD1 . 11110 1 927 . 1 1 80 80 TRP CE3 C 13 120.917 0.300 . 1 . . . . 80 TRP CE3 . 11110 1 928 . 1 1 80 80 TRP CH2 C 13 124.856 0.300 . 1 . . . . 80 TRP CH2 . 11110 1 929 . 1 1 80 80 TRP CZ2 C 13 114.384 0.300 . 1 . . . . 80 TRP CZ2 . 11110 1 930 . 1 1 80 80 TRP CZ3 C 13 122.148 0.300 . 1 . . . . 80 TRP CZ3 . 11110 1 931 . 1 1 80 80 TRP N N 15 124.375 0.300 . 1 . . . . 80 TRP N . 11110 1 932 . 1 1 80 80 TRP NE1 N 15 128.469 0.300 . 1 . . . . 80 TRP NE1 . 11110 1 933 . 1 1 81 81 GLY H H 1 8.341 0.030 . 1 . . . . 81 GLY H . 11110 1 934 . 1 1 81 81 GLY HA2 H 1 3.515 0.030 . 2 . . . . 81 GLY HA2 . 11110 1 935 . 1 1 81 81 GLY HA3 H 1 3.808 0.030 . 2 . . . . 81 GLY HA3 . 11110 1 936 . 1 1 81 81 GLY C C 13 174.643 0.300 . 1 . . . . 81 GLY C . 11110 1 937 . 1 1 81 81 GLY CA C 13 47.291 0.300 . 1 . . . . 81 GLY CA . 11110 1 938 . 1 1 81 81 GLY N N 15 115.492 0.300 . 1 . . . . 81 GLY N . 11110 1 939 . 1 1 82 82 GLN H H 1 8.732 0.030 . 1 . . . . 82 GLN H . 11110 1 940 . 1 1 82 82 GLN HA H 1 4.348 0.030 . 1 . . . . 82 GLN HA . 11110 1 941 . 1 1 82 82 GLN HB2 H 1 2.293 0.030 . 2 . . . . 82 GLN HB2 . 11110 1 942 . 1 1 82 82 GLN HB3 H 1 1.907 0.030 . 2 . . . . 82 GLN HB3 . 11110 1 943 . 1 1 82 82 GLN HE21 H 1 7.518 0.030 . 2 . . . . 82 GLN HE21 . 11110 1 944 . 1 1 82 82 GLN HE22 H 1 6.814 0.030 . 2 . . . . 82 GLN HE22 . 11110 1 945 . 1 1 82 82 GLN HG2 H 1 2.304 0.030 . 1 . . . . 82 GLN HG2 . 11110 1 946 . 1 1 82 82 GLN HG3 H 1 2.304 0.030 . 1 . . . . 82 GLN HG3 . 11110 1 947 . 1 1 82 82 GLN C C 13 175.754 0.300 . 1 . . . . 82 GLN C . 11110 1 948 . 1 1 82 82 GLN CA C 13 55.923 0.300 . 1 . . . . 82 GLN CA . 11110 1 949 . 1 1 82 82 GLN CB C 13 29.018 0.300 . 1 . . . . 82 GLN CB . 11110 1 950 . 1 1 82 82 GLN CG C 13 34.293 0.300 . 1 . . . . 82 GLN CG . 11110 1 951 . 1 1 82 82 GLN NE2 N 15 112.515 0.300 . 1 . . . . 82 GLN NE2 . 11110 1 952 . 1 1 83 83 SER H H 1 8.214 0.030 . 1 . . . . 83 SER H . 11110 1 953 . 1 1 83 83 SER HA H 1 4.638 0.030 . 1 . . . . 83 SER HA . 11110 1 954 . 1 1 83 83 SER HB2 H 1 3.934 0.030 . 2 . . . . 83 SER HB2 . 11110 1 955 . 1 1 83 83 SER HB3 H 1 3.890 0.030 . 2 . . . . 83 SER HB3 . 11110 1 956 . 1 1 83 83 SER C C 13 172.562 0.300 . 1 . . . . 83 SER C . 11110 1 957 . 1 1 83 83 SER CA C 13 58.199 0.300 . 1 . . . . 83 SER CA . 11110 1 958 . 1 1 83 83 SER CB C 13 64.762 0.300 . 1 . . . . 83 SER CB . 11110 1 959 . 1 1 83 83 SER N N 15 116.504 0.300 . 1 . . . . 83 SER N . 11110 1 960 . 1 1 84 84 LEU H H 1 8.482 0.030 . 1 . . . . 84 LEU H . 11110 1 961 . 1 1 84 84 LEU HA H 1 4.931 0.030 . 1 . . . . 84 LEU HA . 11110 1 962 . 1 1 84 84 LEU HB2 H 1 1.546 0.030 . 2 . . . . 84 LEU HB2 . 11110 1 963 . 1 1 84 84 LEU HB3 H 1 1.474 0.030 . 2 . . . . 84 LEU HB3 . 11110 1 964 . 1 1 84 84 LEU HD11 H 1 0.790 0.030 . 1 . . . . 84 LEU HD1 . 11110 1 965 . 1 1 84 84 LEU HD12 H 1 0.790 0.030 . 1 . . . . 84 LEU HD1 . 11110 1 966 . 1 1 84 84 LEU HD13 H 1 0.790 0.030 . 1 . . . . 84 LEU HD1 . 11110 1 967 . 1 1 84 84 LEU HD21 H 1 0.726 0.030 . 1 . . . . 84 LEU HD2 . 11110 1 968 . 1 1 84 84 LEU HD22 H 1 0.726 0.030 . 1 . . . . 84 LEU HD2 . 11110 1 969 . 1 1 84 84 LEU HD23 H 1 0.726 0.030 . 1 . . . . 84 LEU HD2 . 11110 1 970 . 1 1 84 84 LEU HG H 1 1.510 0.030 . 1 . . . . 84 LEU HG . 11110 1 971 . 1 1 84 84 LEU C C 13 177.269 0.300 . 1 . . . . 84 LEU C . 11110 1 972 . 1 1 84 84 LEU CA C 13 54.100 0.300 . 1 . . . . 84 LEU CA . 11110 1 973 . 1 1 84 84 LEU CB C 13 44.097 0.300 . 1 . . . . 84 LEU CB . 11110 1 974 . 1 1 84 84 LEU CD1 C 13 25.617 0.300 . 2 . . . . 84 LEU CD1 . 11110 1 975 . 1 1 84 84 LEU CD2 C 13 25.139 0.300 . 2 . . . . 84 LEU CD2 . 11110 1 976 . 1 1 84 84 LEU CG C 13 27.449 0.300 . 1 . . . . 84 LEU CG . 11110 1 977 . 1 1 84 84 LEU N N 15 124.518 0.300 . 1 . . . . 84 LEU N . 11110 1 978 . 1 1 85 85 LEU H H 1 8.482 0.030 . 1 . . . . 85 LEU H . 11110 1 979 . 1 1 85 85 LEU HA H 1 4.670 0.030 . 1 . . . . 85 LEU HA . 11110 1 980 . 1 1 85 85 LEU HB2 H 1 1.817 0.030 . 2 . . . . 85 LEU HB2 . 11110 1 981 . 1 1 85 85 LEU HB3 H 1 1.768 0.030 . 2 . . . . 85 LEU HB3 . 11110 1 982 . 1 1 85 85 LEU HD11 H 1 0.906 0.030 . 1 . . . . 85 LEU HD1 . 11110 1 983 . 1 1 85 85 LEU HD12 H 1 0.906 0.030 . 1 . . . . 85 LEU HD1 . 11110 1 984 . 1 1 85 85 LEU HD13 H 1 0.906 0.030 . 1 . . . . 85 LEU HD1 . 11110 1 985 . 1 1 85 85 LEU HD21 H 1 0.898 0.030 . 1 . . . . 85 LEU HD2 . 11110 1 986 . 1 1 85 85 LEU HD22 H 1 0.898 0.030 . 1 . . . . 85 LEU HD2 . 11110 1 987 . 1 1 85 85 LEU HD23 H 1 0.898 0.030 . 1 . . . . 85 LEU HD2 . 11110 1 988 . 1 1 85 85 LEU HG H 1 1.835 0.030 . 1 . . . . 85 LEU HG . 11110 1 989 . 1 1 85 85 LEU C C 13 174.117 0.300 . 1 . . . . 85 LEU C . 11110 1 990 . 1 1 85 85 LEU CA C 13 53.589 0.300 . 1 . . . . 85 LEU CA . 11110 1 991 . 1 1 85 85 LEU CB C 13 40.784 0.300 . 1 . . . . 85 LEU CB . 11110 1 992 . 1 1 85 85 LEU CD1 C 13 25.499 0.300 . 2 . . . . 85 LEU CD1 . 11110 1 993 . 1 1 85 85 LEU CD2 C 13 23.005 0.300 . 2 . . . . 85 LEU CD2 . 11110 1 994 . 1 1 85 85 LEU CG C 13 28.418 0.300 . 1 . . . . 85 LEU CG . 11110 1 995 . 1 1 85 85 LEU N N 15 125.436 0.300 . 1 . . . . 85 LEU N . 11110 1 996 . 1 1 86 86 PRO HA H 1 4.715 0.030 . 1 . . . . 86 PRO HA . 11110 1 997 . 1 1 86 86 PRO HB2 H 1 2.477 0.030 . 2 . . . . 86 PRO HB2 . 11110 1 998 . 1 1 86 86 PRO HB3 H 1 1.857 0.030 . 2 . . . . 86 PRO HB3 . 11110 1 999 . 1 1 86 86 PRO HD2 H 1 3.868 0.030 . 2 . . . . 86 PRO HD2 . 11110 1 1000 . 1 1 86 86 PRO HD3 H 1 3.599 0.030 . 2 . . . . 86 PRO HD3 . 11110 1 1001 . 1 1 86 86 PRO HG2 H 1 2.170 0.030 . 2 . . . . 86 PRO HG2 . 11110 1 1002 . 1 1 86 86 PRO HG3 H 1 2.050 0.030 . 2 . . . . 86 PRO HG3 . 11110 1 1003 . 1 1 86 86 PRO CA C 13 61.868 0.300 . 1 . . . . 86 PRO CA . 11110 1 1004 . 1 1 86 86 PRO CB C 13 30.605 0.300 . 1 . . . . 86 PRO CB . 11110 1 1005 . 1 1 86 86 PRO CD C 13 50.746 0.300 . 1 . . . . 86 PRO CD . 11110 1 1006 . 1 1 86 86 PRO CG C 13 28.103 0.300 . 1 . . . . 86 PRO CG . 11110 1 1007 . 1 1 87 87 PRO HA H 1 4.545 0.030 . 1 . . . . 87 PRO HA . 11110 1 1008 . 1 1 87 87 PRO HB2 H 1 1.831 0.030 . 2 . . . . 87 PRO HB2 . 11110 1 1009 . 1 1 87 87 PRO HB3 H 1 1.736 0.030 . 2 . . . . 87 PRO HB3 . 11110 1 1010 . 1 1 87 87 PRO HD2 H 1 3.728 0.030 . 2 . . . . 87 PRO HD2 . 11110 1 1011 . 1 1 87 87 PRO HG2 H 1 1.964 0.030 . 2 . . . . 87 PRO HG2 . 11110 1 1012 . 1 1 87 87 PRO C C 13 177.511 0.300 . 1 . . . . 87 PRO C . 11110 1 1013 . 1 1 87 87 PRO CA C 13 62.733 0.300 . 1 . . . . 87 PRO CA . 11110 1 1014 . 1 1 87 87 PRO CB C 13 33.022 0.300 . 1 . . . . 87 PRO CB . 11110 1 1015 . 1 1 87 87 PRO CD C 13 50.632 0.300 . 1 . . . . 87 PRO CD . 11110 1 1016 . 1 1 87 87 PRO CG C 13 26.646 0.300 . 1 . . . . 87 PRO CG . 11110 1 1017 . 1 1 88 88 VAL H H 1 8.021 0.030 . 1 . . . . 88 VAL H . 11110 1 1018 . 1 1 88 88 VAL HA H 1 4.590 0.030 . 1 . . . . 88 VAL HA . 11110 1 1019 . 1 1 88 88 VAL HB H 1 2.179 0.030 . 1 . . . . 88 VAL HB . 11110 1 1020 . 1 1 88 88 VAL HG11 H 1 1.032 0.030 . 1 . . . . 88 VAL HG1 . 11110 1 1021 . 1 1 88 88 VAL HG12 H 1 1.032 0.030 . 1 . . . . 88 VAL HG1 . 11110 1 1022 . 1 1 88 88 VAL HG13 H 1 1.032 0.030 . 1 . . . . 88 VAL HG1 . 11110 1 1023 . 1 1 88 88 VAL HG21 H 1 1.012 0.030 . 1 . . . . 88 VAL HG2 . 11110 1 1024 . 1 1 88 88 VAL HG22 H 1 1.012 0.030 . 1 . . . . 88 VAL HG2 . 11110 1 1025 . 1 1 88 88 VAL HG23 H 1 1.012 0.030 . 1 . . . . 88 VAL HG2 . 11110 1 1026 . 1 1 88 88 VAL C C 13 174.915 0.300 . 1 . . . . 88 VAL C . 11110 1 1027 . 1 1 88 88 VAL CA C 13 60.865 0.300 . 1 . . . . 88 VAL CA . 11110 1 1028 . 1 1 88 88 VAL CB C 13 33.741 0.300 . 1 . . . . 88 VAL CB . 11110 1 1029 . 1 1 88 88 VAL CG1 C 13 22.122 0.300 . 2 . . . . 88 VAL CG1 . 11110 1 1030 . 1 1 88 88 VAL CG2 C 13 20.890 0.300 . 2 . . . . 88 VAL CG2 . 11110 1 1031 . 1 1 88 88 VAL N N 15 117.303 0.300 . 1 . . . . 88 VAL N . 11110 1 1032 . 1 1 89 89 SER H H 1 8.652 0.030 . 1 . . . . 89 SER H . 11110 1 1033 . 1 1 89 89 SER HA H 1 5.771 0.030 . 1 . . . . 89 SER HA . 11110 1 1034 . 1 1 89 89 SER HB2 H 1 3.781 0.030 . 1 . . . . 89 SER HB2 . 11110 1 1035 . 1 1 89 89 SER HB3 H 1 3.781 0.030 . 1 . . . . 89 SER HB3 . 11110 1 1036 . 1 1 89 89 SER C C 13 173.885 0.300 . 1 . . . . 89 SER C . 11110 1 1037 . 1 1 89 89 SER CA C 13 57.609 0.300 . 1 . . . . 89 SER CA . 11110 1 1038 . 1 1 89 89 SER CB C 13 67.014 0.300 . 1 . . . . 89 SER CB . 11110 1 1039 . 1 1 89 89 SER N N 15 117.939 0.300 . 1 . . . . 89 SER N . 11110 1 1040 . 1 1 90 90 THR H H 1 8.957 0.030 . 1 . . . . 90 THR H . 11110 1 1041 . 1 1 90 90 THR HA H 1 4.777 0.030 . 1 . . . . 90 THR HA . 11110 1 1042 . 1 1 90 90 THR HB H 1 4.035 0.030 . 1 . . . . 90 THR HB . 11110 1 1043 . 1 1 90 90 THR HG21 H 1 0.942 0.030 . 1 . . . . 90 THR HG2 . 11110 1 1044 . 1 1 90 90 THR HG22 H 1 0.942 0.030 . 1 . . . . 90 THR HG2 . 11110 1 1045 . 1 1 90 90 THR HG23 H 1 0.942 0.030 . 1 . . . . 90 THR HG2 . 11110 1 1046 . 1 1 90 90 THR C C 13 171.461 0.300 . 1 . . . . 90 THR C . 11110 1 1047 . 1 1 90 90 THR CA C 13 61.550 0.300 . 1 . . . . 90 THR CA . 11110 1 1048 . 1 1 90 90 THR CB C 13 69.367 0.300 . 1 . . . . 90 THR CB . 11110 1 1049 . 1 1 90 90 THR CG2 C 13 18.520 0.300 . 1 . . . . 90 THR CG2 . 11110 1 1050 . 1 1 90 90 THR N N 15 116.030 0.300 . 1 . . . . 90 THR N . 11110 1 1051 . 1 1 91 91 SER H H 1 8.270 0.030 . 1 . . . . 91 SER H . 11110 1 1052 . 1 1 91 91 SER HA H 1 5.654 0.030 . 1 . . . . 91 SER HA . 11110 1 1053 . 1 1 91 91 SER HB2 H 1 3.930 0.030 . 2 . . . . 91 SER HB2 . 11110 1 1054 . 1 1 91 91 SER HB3 H 1 3.801 0.030 . 2 . . . . 91 SER HB3 . 11110 1 1055 . 1 1 91 91 SER C C 13 172.572 0.300 . 1 . . . . 91 SER C . 11110 1 1056 . 1 1 91 91 SER CA C 13 56.956 0.300 . 1 . . . . 91 SER CA . 11110 1 1057 . 1 1 91 91 SER CB C 13 66.271 0.300 . 1 . . . . 91 SER CB . 11110 1 1058 . 1 1 91 91 SER N N 15 118.557 0.300 . 1 . . . . 91 SER N . 11110 1 1059 . 1 1 92 92 PHE H H 1 8.527 0.030 . 1 . . . . 92 PHE H . 11110 1 1060 . 1 1 92 92 PHE HA H 1 5.005 0.030 . 1 . . . . 92 PHE HA . 11110 1 1061 . 1 1 92 92 PHE HB2 H 1 3.236 0.030 . 2 . . . . 92 PHE HB2 . 11110 1 1062 . 1 1 92 92 PHE HB3 H 1 2.967 0.030 . 2 . . . . 92 PHE HB3 . 11110 1 1063 . 1 1 92 92 PHE HD1 H 1 6.710 0.030 . 1 . . . . 92 PHE HD1 . 11110 1 1064 . 1 1 92 92 PHE HD2 H 1 6.710 0.030 . 1 . . . . 92 PHE HD2 . 11110 1 1065 . 1 1 92 92 PHE HE1 H 1 6.686 0.030 . 1 . . . . 92 PHE HE1 . 11110 1 1066 . 1 1 92 92 PHE HE2 H 1 6.686 0.030 . 1 . . . . 92 PHE HE2 . 11110 1 1067 . 1 1 92 92 PHE HZ H 1 6.340 0.030 . 1 . . . . 92 PHE HZ . 11110 1 1068 . 1 1 92 92 PHE C C 13 172.289 0.300 . 1 . . . . 92 PHE C . 11110 1 1069 . 1 1 92 92 PHE CA C 13 56.544 0.300 . 1 . . . . 92 PHE CA . 11110 1 1070 . 1 1 92 92 PHE CB C 13 40.621 0.300 . 1 . . . . 92 PHE CB . 11110 1 1071 . 1 1 92 92 PHE CD1 C 13 132.226 0.300 . 1 . . . . 92 PHE CD1 . 11110 1 1072 . 1 1 92 92 PHE CD2 C 13 132.226 0.300 . 1 . . . . 92 PHE CD2 . 11110 1 1073 . 1 1 92 92 PHE CE1 C 13 130.025 0.300 . 1 . . . . 92 PHE CE1 . 11110 1 1074 . 1 1 92 92 PHE CE2 C 13 130.025 0.300 . 1 . . . . 92 PHE CE2 . 11110 1 1075 . 1 1 92 92 PHE CZ C 13 128.681 0.300 . 1 . . . . 92 PHE CZ . 11110 1 1076 . 1 1 92 92 PHE N N 15 118.310 0.300 . 1 . . . . 92 PHE N . 11110 1 1077 . 1 1 93 93 THR H H 1 8.764 0.030 . 1 . . . . 93 THR H . 11110 1 1078 . 1 1 93 93 THR HA H 1 5.383 0.030 . 1 . . . . 93 THR HA . 11110 1 1079 . 1 1 93 93 THR HB H 1 3.812 0.030 . 1 . . . . 93 THR HB . 11110 1 1080 . 1 1 93 93 THR HG21 H 1 1.131 0.030 . 1 . . . . 93 THR HG2 . 11110 1 1081 . 1 1 93 93 THR HG22 H 1 1.131 0.030 . 1 . . . . 93 THR HG2 . 11110 1 1082 . 1 1 93 93 THR HG23 H 1 1.131 0.030 . 1 . . . . 93 THR HG2 . 11110 1 1083 . 1 1 93 93 THR C C 13 175.016 0.300 . 1 . . . . 93 THR C . 11110 1 1084 . 1 1 93 93 THR CA C 13 60.679 0.300 . 1 . . . . 93 THR CA . 11110 1 1085 . 1 1 93 93 THR CB C 13 71.454 0.300 . 1 . . . . 93 THR CB . 11110 1 1086 . 1 1 93 93 THR CG2 C 13 20.524 0.300 . 1 . . . . 93 THR CG2 . 11110 1 1087 . 1 1 93 93 THR N N 15 117.611 0.300 . 1 . . . . 93 THR N . 11110 1 1088 . 1 1 94 94 THR H H 1 9.178 0.030 . 1 . . . . 94 THR H . 11110 1 1089 . 1 1 94 94 THR HA H 1 4.133 0.030 . 1 . . . . 94 THR HA . 11110 1 1090 . 1 1 94 94 THR HB H 1 5.011 0.030 . 1 . . . . 94 THR HB . 11110 1 1091 . 1 1 94 94 THR HG21 H 1 1.379 0.030 . 1 . . . . 94 THR HG2 . 11110 1 1092 . 1 1 94 94 THR HG22 H 1 1.379 0.030 . 1 . . . . 94 THR HG2 . 11110 1 1093 . 1 1 94 94 THR HG23 H 1 1.379 0.030 . 1 . . . . 94 THR HG2 . 11110 1 1094 . 1 1 94 94 THR C C 13 176.188 0.300 . 1 . . . . 94 THR C . 11110 1 1095 . 1 1 94 94 THR CA C 13 61.419 0.300 . 1 . . . . 94 THR CA . 11110 1 1096 . 1 1 94 94 THR CB C 13 69.700 0.300 . 1 . . . . 94 THR CB . 11110 1 1097 . 1 1 94 94 THR CG2 C 13 24.968 0.300 . 1 . . . . 94 THR CG2 . 11110 1 1098 . 1 1 94 94 THR N N 15 117.866 0.300 . 1 . . . . 94 THR N . 11110 1 1099 . 1 1 95 95 GLY H H 1 6.875 0.030 . 1 . . . . 95 GLY H . 11110 1 1100 . 1 1 95 95 GLY HA2 H 1 4.122 0.030 . 2 . . . . 95 GLY HA2 . 11110 1 1101 . 1 1 95 95 GLY HA3 H 1 3.721 0.030 . 2 . . . . 95 GLY HA3 . 11110 1 1102 . 1 1 95 95 GLY C C 13 173.006 0.300 . 1 . . . . 95 GLY C . 11110 1 1103 . 1 1 95 95 GLY CA C 13 44.776 0.300 . 1 . . . . 95 GLY CA . 11110 1 1104 . 1 1 95 95 GLY N N 15 105.165 0.300 . 1 . . . . 95 GLY N . 11110 1 1105 . 1 1 96 96 GLY H H 1 8.162 0.030 . 1 . . . . 96 GLY H . 11110 1 1106 . 1 1 96 96 GLY HA2 H 1 4.428 0.030 . 2 . . . . 96 GLY HA2 . 11110 1 1107 . 1 1 96 96 GLY HA3 H 1 3.720 0.030 . 2 . . . . 96 GLY HA3 . 11110 1 1108 . 1 1 96 96 GLY C C 13 174.037 0.300 . 1 . . . . 96 GLY C . 11110 1 1109 . 1 1 96 96 GLY CA C 13 44.309 0.300 . 1 . . . . 96 GLY CA . 11110 1 1110 . 1 1 96 96 GLY N N 15 104.919 0.300 . 1 . . . . 96 GLY N . 11110 1 1111 . 1 1 97 97 LEU H H 1 8.286 0.030 . 1 . . . . 97 LEU H . 11110 1 1112 . 1 1 97 97 LEU HA H 1 4.369 0.030 . 1 . . . . 97 LEU HA . 11110 1 1113 . 1 1 97 97 LEU HB2 H 1 1.552 0.030 . 1 . . . . 97 LEU HB2 . 11110 1 1114 . 1 1 97 97 LEU HB3 H 1 1.552 0.030 . 1 . . . . 97 LEU HB3 . 11110 1 1115 . 1 1 97 97 LEU HD11 H 1 0.927 0.030 . 1 . . . . 97 LEU HD1 . 11110 1 1116 . 1 1 97 97 LEU HD12 H 1 0.927 0.030 . 1 . . . . 97 LEU HD1 . 11110 1 1117 . 1 1 97 97 LEU HD13 H 1 0.927 0.030 . 1 . . . . 97 LEU HD1 . 11110 1 1118 . 1 1 97 97 LEU HD21 H 1 0.872 0.030 . 1 . . . . 97 LEU HD2 . 11110 1 1119 . 1 1 97 97 LEU HD22 H 1 0.872 0.030 . 1 . . . . 97 LEU HD2 . 11110 1 1120 . 1 1 97 97 LEU HD23 H 1 0.872 0.030 . 1 . . . . 97 LEU HD2 . 11110 1 1121 . 1 1 97 97 LEU HG H 1 1.577 0.030 . 1 . . . . 97 LEU HG . 11110 1 1122 . 1 1 97 97 LEU C C 13 177.198 0.300 . 1 . . . . 97 LEU C . 11110 1 1123 . 1 1 97 97 LEU CA C 13 54.807 0.300 . 1 . . . . 97 LEU CA . 11110 1 1124 . 1 1 97 97 LEU CB C 13 43.021 0.300 . 1 . . . . 97 LEU CB . 11110 1 1125 . 1 1 97 97 LEU CD1 C 13 25.101 0.300 . 2 . . . . 97 LEU CD1 . 11110 1 1126 . 1 1 97 97 LEU CD2 C 13 23.520 0.300 . 2 . . . . 97 LEU CD2 . 11110 1 1127 . 1 1 97 97 LEU CG C 13 26.976 0.300 . 1 . . . . 97 LEU CG . 11110 1 1128 . 1 1 97 97 LEU N N 15 119.788 0.300 . 1 . . . . 97 LEU N . 11110 1 1129 . 1 1 98 98 ARG H H 1 8.437 0.030 . 1 . . . . 98 ARG H . 11110 1 1130 . 1 1 98 98 ARG HA H 1 4.348 0.030 . 1 . . . . 98 ARG HA . 11110 1 1131 . 1 1 98 98 ARG HB2 H 1 1.813 0.030 . 2 . . . . 98 ARG HB2 . 11110 1 1132 . 1 1 98 98 ARG HB3 H 1 1.748 0.030 . 2 . . . . 98 ARG HB3 . 11110 1 1133 . 1 1 98 98 ARG HD2 H 1 3.189 0.030 . 1 . . . . 98 ARG HD2 . 11110 1 1134 . 1 1 98 98 ARG HD3 H 1 3.189 0.030 . 1 . . . . 98 ARG HD3 . 11110 1 1135 . 1 1 98 98 ARG HG2 H 1 1.627 0.030 . 2 . . . . 98 ARG HG2 . 11110 1 1136 . 1 1 98 98 ARG HG3 H 1 1.565 0.030 . 2 . . . . 98 ARG HG3 . 11110 1 1137 . 1 1 98 98 ARG C C 13 176.158 0.300 . 1 . . . . 98 ARG C . 11110 1 1138 . 1 1 98 98 ARG CA C 13 55.967 0.300 . 1 . . . . 98 ARG CA . 11110 1 1139 . 1 1 98 98 ARG CB C 13 30.734 0.300 . 1 . . . . 98 ARG CB . 11110 1 1140 . 1 1 98 98 ARG CD C 13 43.393 0.300 . 1 . . . . 98 ARG CD . 11110 1 1141 . 1 1 98 98 ARG CG C 13 27.148 0.300 . 1 . . . . 98 ARG CG . 11110 1 1142 . 1 1 98 98 ARG N N 15 122.821 0.300 . 1 . . . . 98 ARG N . 11110 1 1143 . 1 1 99 99 ILE H H 1 8.326 0.030 . 1 . . . . 99 ILE H . 11110 1 1144 . 1 1 99 99 ILE HA H 1 4.215 0.030 . 1 . . . . 99 ILE HA . 11110 1 1145 . 1 1 99 99 ILE HB H 1 1.869 0.030 . 1 . . . . 99 ILE HB . 11110 1 1146 . 1 1 99 99 ILE HD11 H 1 0.847 0.030 . 1 . . . . 99 ILE HD1 . 11110 1 1147 . 1 1 99 99 ILE HD12 H 1 0.847 0.030 . 1 . . . . 99 ILE HD1 . 11110 1 1148 . 1 1 99 99 ILE HD13 H 1 0.847 0.030 . 1 . . . . 99 ILE HD1 . 11110 1 1149 . 1 1 99 99 ILE HG12 H 1 1.450 0.030 . 2 . . . . 99 ILE HG12 . 11110 1 1150 . 1 1 99 99 ILE HG13 H 1 1.175 0.030 . 2 . . . . 99 ILE HG13 . 11110 1 1151 . 1 1 99 99 ILE HG21 H 1 0.900 0.030 . 1 . . . . 99 ILE HG2 . 11110 1 1152 . 1 1 99 99 ILE HG22 H 1 0.900 0.030 . 1 . . . . 99 ILE HG2 . 11110 1 1153 . 1 1 99 99 ILE HG23 H 1 0.900 0.030 . 1 . . . . 99 ILE HG2 . 11110 1 1154 . 1 1 99 99 ILE C C 13 176.198 0.300 . 1 . . . . 99 ILE C . 11110 1 1155 . 1 1 99 99 ILE CA C 13 61.018 0.300 . 1 . . . . 99 ILE CA . 11110 1 1156 . 1 1 99 99 ILE CB C 13 38.865 0.300 . 1 . . . . 99 ILE CB . 11110 1 1157 . 1 1 99 99 ILE CD1 C 13 12.908 0.300 . 1 . . . . 99 ILE CD1 . 11110 1 1158 . 1 1 99 99 ILE CG1 C 13 27.159 0.300 . 1 . . . . 99 ILE CG1 . 11110 1 1159 . 1 1 99 99 ILE CG2 C 13 17.548 0.300 . 1 . . . . 99 ILE CG2 . 11110 1 1160 . 1 1 99 99 ILE N N 15 123.275 0.300 . 1 . . . . 99 ILE N . 11110 1 1161 . 1 1 100 100 SER H H 1 8.412 0.030 . 1 . . . . 100 SER H . 11110 1 1162 . 1 1 100 100 SER HA H 1 4.503 0.030 . 1 . . . . 100 SER HA . 11110 1 1163 . 1 1 100 100 SER HB2 H 1 3.845 0.030 . 2 . . . . 100 SER HB2 . 11110 1 1164 . 1 1 100 100 SER C C 13 174.390 0.300 . 1 . . . . 100 SER C . 11110 1 1165 . 1 1 100 100 SER CA C 13 58.193 0.300 . 1 . . . . 100 SER CA . 11110 1 1166 . 1 1 100 100 SER CB C 13 64.008 0.300 . 1 . . . . 100 SER CB . 11110 1 1167 . 1 1 100 100 SER N N 15 120.143 0.300 . 1 . . . . 100 SER N . 11110 1 1168 . 1 1 101 101 GLY H H 1 8.259 0.030 . 1 . . . . 101 GLY H . 11110 1 1169 . 1 1 101 101 GLY HA2 H 1 4.125 0.030 . 2 . . . . 101 GLY HA2 . 11110 1 1170 . 1 1 101 101 GLY C C 13 171.693 0.300 . 1 . . . . 101 GLY C . 11110 1 1171 . 1 1 101 101 GLY CA C 13 44.659 0.300 . 1 . . . . 101 GLY CA . 11110 1 1172 . 1 1 101 101 GLY N N 15 110.967 0.300 . 1 . . . . 101 GLY N . 11110 1 1173 . 1 1 102 102 PRO HA H 1 4.463 0.030 . 1 . . . . 102 PRO HA . 11110 1 1174 . 1 1 102 102 PRO HB2 H 1 2.288 0.030 . 2 . . . . 102 PRO HB2 . 11110 1 1175 . 1 1 102 102 PRO HB3 H 1 1.968 0.030 . 2 . . . . 102 PRO HB3 . 11110 1 1176 . 1 1 102 102 PRO HD2 H 1 3.616 0.030 . 2 . . . . 102 PRO HD2 . 11110 1 1177 . 1 1 102 102 PRO HG2 H 1 2.029 0.030 . 2 . . . . 102 PRO HG2 . 11110 1 1178 . 1 1 102 102 PRO C C 13 177.451 0.300 . 1 . . . . 102 PRO C . 11110 1 1179 . 1 1 102 102 PRO CA C 13 63.244 0.300 . 1 . . . . 102 PRO CA . 11110 1 1180 . 1 1 102 102 PRO CB C 13 32.193 0.300 . 1 . . . . 102 PRO CB . 11110 1 1181 . 1 1 102 102 PRO CD C 13 49.770 0.300 . 1 . . . . 102 PRO CD . 11110 1 1182 . 1 1 102 102 PRO CG C 13 27.215 0.300 . 1 . . . . 102 PRO CG . 11110 1 1183 . 1 1 103 103 SER H H 1 8.534 0.030 . 1 . . . . 103 SER H . 11110 1 1184 . 1 1 103 103 SER HA H 1 4.495 0.030 . 1 . . . . 103 SER HA . 11110 1 1185 . 1 1 103 103 SER HB2 H 1 3.913 0.030 . 2 . . . . 103 SER HB2 . 11110 1 1186 . 1 1 103 103 SER C C 13 174.623 0.300 . 1 . . . . 103 SER C . 11110 1 1187 . 1 1 103 103 SER CA C 13 58.414 0.300 . 1 . . . . 103 SER CA . 11110 1 1188 . 1 1 103 103 SER CB C 13 63.800 0.300 . 1 . . . . 103 SER CB . 11110 1 1189 . 1 1 103 103 SER N N 15 116.320 0.300 . 1 . . . . 103 SER N . 11110 1 1190 . 1 1 104 104 SER H H 1 8.309 0.030 . 1 . . . . 104 SER H . 11110 1 1191 . 1 1 104 104 SER HA H 1 4.481 0.030 . 1 . . . . 104 SER HA . 11110 1 1192 . 1 1 104 104 SER HB2 H 1 3.890 0.030 . 2 . . . . 104 SER HB2 . 11110 1 1193 . 1 1 104 104 SER C C 13 173.915 0.300 . 1 . . . . 104 SER C . 11110 1 1194 . 1 1 104 104 SER CA C 13 58.238 0.300 . 1 . . . . 104 SER CA . 11110 1 1195 . 1 1 104 104 SER CB C 13 64.109 0.300 . 1 . . . . 104 SER CB . 11110 1 1196 . 1 1 104 104 SER N N 15 117.743 0.300 . 1 . . . . 104 SER N . 11110 1 1197 . 1 1 105 105 GLY H H 1 8.047 0.030 . 1 . . . . 105 GLY H . 11110 1 1198 . 1 1 105 105 GLY C C 13 178.986 0.300 . 1 . . . . 105 GLY C . 11110 1 1199 . 1 1 105 105 GLY CA C 13 46.248 0.300 . 1 . . . . 105 GLY CA . 11110 1 1200 . 1 1 105 105 GLY N N 15 116.860 0.300 . 1 . . . . 105 GLY N . 11110 1 stop_ save_