data_10037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10037 _Entry.Title ; Solution structure of the third mbt domain from human KIAA1798 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-02 _Entry.Accession_date 2006-11-02 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10037 2 T. Kigawa . . . 10037 3 S. Koshiba . . . 10037 4 M. Inoue . . . 10037 5 S. Yokoyama . . . 10037 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 10037 '15N chemical shifts' 94 10037 '1H chemical shifts' 656 10037 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-13 2006-11-02 original author . 10037 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJQ 'BMRB Entry Tracking System' 10037 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10037 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the third mbt domain from human KIAA1798 protein' _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 T. Tomizawa . . . 10037 1 2 T. Kigawa . . . 10037 1 3 S. Koshiba . . . 10037 1 4 M. Inoue . . . 10037 1 5 S. Yokoyama . . . 10037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10037 _Assembly.ID 1 _Assembly.Name 'KIAA1798 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10037 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KIAA1798 protein' 1 $entity_1 . . yes native no no . . . 10037 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WJQ . . . . . . 10037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mbt domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVKPPHGFQKKMKL EVVDKRNPMFIRVATVADTD DHRVKVHFDGWNNCYDYWID ADSPDIHPVGWCSKTGHPLQ PPLSPLELMEASEHGGCSTP GSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1WJQ . "Solution Structure Of The Third Mbt Domain From Human Kiaa1798 Protein" . . . . . 100.00 107 100.00 100.00 2.88e-72 . . . . 10037 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'mbt domain' . 10037 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 . 10037 1 2 . SER . 10037 1 3 . SER . 10037 1 4 . GLY . 10037 1 5 . SER . 10037 1 6 . SER . 10037 1 7 . GLY . 10037 1 8 . VAL . 10037 1 9 . LYS . 10037 1 10 . PRO . 10037 1 11 . PRO . 10037 1 12 . HIS . 10037 1 13 . GLY . 10037 1 14 . PHE . 10037 1 15 . GLN . 10037 1 16 . LYS . 10037 1 17 . LYS . 10037 1 18 . MET . 10037 1 19 . LYS . 10037 1 20 . LEU . 10037 1 21 . GLU . 10037 1 22 . VAL . 10037 1 23 . VAL . 10037 1 24 . ASP . 10037 1 25 . LYS . 10037 1 26 . ARG . 10037 1 27 . ASN . 10037 1 28 . PRO . 10037 1 29 . MET . 10037 1 30 . PHE . 10037 1 31 . ILE . 10037 1 32 . ARG . 10037 1 33 . VAL . 10037 1 34 . ALA . 10037 1 35 . THR . 10037 1 36 . VAL . 10037 1 37 . ALA . 10037 1 38 . ASP . 10037 1 39 . THR . 10037 1 40 . ASP . 10037 1 41 . ASP . 10037 1 42 . HIS . 10037 1 43 . ARG . 10037 1 44 . VAL . 10037 1 45 . LYS . 10037 1 46 . VAL . 10037 1 47 . HIS . 10037 1 48 . PHE . 10037 1 49 . ASP . 10037 1 50 . GLY . 10037 1 51 . TRP . 10037 1 52 . ASN . 10037 1 53 . ASN . 10037 1 54 . CYS . 10037 1 55 . TYR . 10037 1 56 . ASP . 10037 1 57 . TYR . 10037 1 58 . TRP . 10037 1 59 . ILE . 10037 1 60 . ASP . 10037 1 61 . ALA . 10037 1 62 . ASP . 10037 1 63 . SER . 10037 1 64 . PRO . 10037 1 65 . ASP . 10037 1 66 . ILE . 10037 1 67 . HIS . 10037 1 68 . PRO . 10037 1 69 . VAL . 10037 1 70 . GLY . 10037 1 71 . TRP . 10037 1 72 . CYS . 10037 1 73 . SER . 10037 1 74 . LYS . 10037 1 75 . THR . 10037 1 76 . GLY . 10037 1 77 . HIS . 10037 1 78 . PRO . 10037 1 79 . LEU . 10037 1 80 . GLN . 10037 1 81 . PRO . 10037 1 82 . PRO . 10037 1 83 . LEU . 10037 1 84 . SER . 10037 1 85 . PRO . 10037 1 86 . LEU . 10037 1 87 . GLU . 10037 1 88 . LEU . 10037 1 89 . MET . 10037 1 90 . GLU . 10037 1 91 . ALA . 10037 1 92 . SER . 10037 1 93 . GLU . 10037 1 94 . HIS . 10037 1 95 . GLY . 10037 1 96 . GLY . 10037 1 97 . CYS . 10037 1 98 . SER . 10037 1 99 . THR . 10037 1 100 . PRO . 10037 1 101 . GLY . 10037 1 102 . SER . 10037 1 103 . GLY . 10037 1 104 . PRO . 10037 1 105 . SER . 10037 1 106 . SER . 10037 1 107 . GLY . 10037 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 10037 1 . SER 2 2 10037 1 . SER 3 3 10037 1 . GLY 4 4 10037 1 . SER 5 5 10037 1 . SER 6 6 10037 1 . GLY 7 7 10037 1 . VAL 8 8 10037 1 . LYS 9 9 10037 1 . PRO 10 10 10037 1 . PRO 11 11 10037 1 . HIS 12 12 10037 1 . GLY 13 13 10037 1 . PHE 14 14 10037 1 . GLN 15 15 10037 1 . LYS 16 16 10037 1 . LYS 17 17 10037 1 . MET 18 18 10037 1 . LYS 19 19 10037 1 . LEU 20 20 10037 1 . GLU 21 21 10037 1 . VAL 22 22 10037 1 . VAL 23 23 10037 1 . ASP 24 24 10037 1 . LYS 25 25 10037 1 . ARG 26 26 10037 1 . ASN 27 27 10037 1 . PRO 28 28 10037 1 . MET 29 29 10037 1 . PHE 30 30 10037 1 . ILE 31 31 10037 1 . ARG 32 32 10037 1 . VAL 33 33 10037 1 . ALA 34 34 10037 1 . THR 35 35 10037 1 . VAL 36 36 10037 1 . ALA 37 37 10037 1 . ASP 38 38 10037 1 . THR 39 39 10037 1 . ASP 40 40 10037 1 . ASP 41 41 10037 1 . HIS 42 42 10037 1 . ARG 43 43 10037 1 . VAL 44 44 10037 1 . LYS 45 45 10037 1 . VAL 46 46 10037 1 . HIS 47 47 10037 1 . PHE 48 48 10037 1 . ASP 49 49 10037 1 . GLY 50 50 10037 1 . TRP 51 51 10037 1 . ASN 52 52 10037 1 . ASN 53 53 10037 1 . CYS 54 54 10037 1 . TYR 55 55 10037 1 . ASP 56 56 10037 1 . TYR 57 57 10037 1 . TRP 58 58 10037 1 . ILE 59 59 10037 1 . ASP 60 60 10037 1 . ALA 61 61 10037 1 . ASP 62 62 10037 1 . SER 63 63 10037 1 . PRO 64 64 10037 1 . ASP 65 65 10037 1 . ILE 66 66 10037 1 . HIS 67 67 10037 1 . PRO 68 68 10037 1 . VAL 69 69 10037 1 . GLY 70 70 10037 1 . TRP 71 71 10037 1 . CYS 72 72 10037 1 . SER 73 73 10037 1 . LYS 74 74 10037 1 . THR 75 75 10037 1 . GLY 76 76 10037 1 . HIS 77 77 10037 1 . PRO 78 78 10037 1 . LEU 79 79 10037 1 . GLN 80 80 10037 1 . PRO 81 81 10037 1 . PRO 82 82 10037 1 . LEU 83 83 10037 1 . SER 84 84 10037 1 . PRO 85 85 10037 1 . LEU 86 86 10037 1 . GLU 87 87 10037 1 . LEU 88 88 10037 1 . MET 89 89 10037 1 . GLU 90 90 10037 1 . ALA 91 91 10037 1 . SER 92 92 10037 1 . GLU 93 93 10037 1 . HIS 94 94 10037 1 . GLY 95 95 10037 1 . GLY 96 96 10037 1 . CYS 97 97 10037 1 . SER 98 98 10037 1 . THR 99 99 10037 1 . PRO 100 100 10037 1 . GLY 101 101 10037 1 . SER 102 102 10037 1 . GLY 103 103 10037 1 . PRO 104 104 10037 1 . SER 105 105 10037 1 . SER 106 106 10037 1 . GLY 107 107 10037 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 10037 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10037 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 10037 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040119-32 . . . . . . 10037 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10037 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mbt domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.18 . . mM . . . . 10037 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10037 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10037 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10037 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10037 1 6 H2O . . . . . . solvent 90 . . % . . . . 10037 1 7 D2O . . . . . . solvent 10 . . % . . . . 10037 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 10037 _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 10037 1 pH 7.0 0.05 pH 10037 1 pressure 1 0.001 atm 10037 1 temperature 296 0.1 K 10037 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10037 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10037 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10037 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10037 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10037 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10037 _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.' . . 10037 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10037 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10037 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10037 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10037 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10037 _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.' . . 10037 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10037 5 'structure solution' 10037 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 10037 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10037 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10037 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10037 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10037 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10037 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10037 _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 . . . . . . . . . 10037 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10037 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10037 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 10037 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10037 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10037 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 8 8 VAL H H 1 7.971 0.030 . 1 . . . . 8 VAL H . 10037 1 2 . 1 1 8 8 VAL HA H 1 4.132 0.030 . 1 . . . . 8 VAL HA . 10037 1 3 . 1 1 8 8 VAL HB H 1 2.054 0.030 . 1 . . . . 8 VAL HB . 10037 1 4 . 1 1 8 8 VAL HG11 H 1 0.924 0.030 . 1 . . . . 8 VAL HG1 . 10037 1 5 . 1 1 8 8 VAL HG12 H 1 0.924 0.030 . 1 . . . . 8 VAL HG1 . 10037 1 6 . 1 1 8 8 VAL HG13 H 1 0.924 0.030 . 1 . . . . 8 VAL HG1 . 10037 1 7 . 1 1 8 8 VAL HG21 H 1 0.930 0.030 . 1 . . . . 8 VAL HG2 . 10037 1 8 . 1 1 8 8 VAL HG22 H 1 0.930 0.030 . 1 . . . . 8 VAL HG2 . 10037 1 9 . 1 1 8 8 VAL HG23 H 1 0.930 0.030 . 1 . . . . 8 VAL HG2 . 10037 1 10 . 1 1 8 8 VAL C C 13 176.025 0.300 . 1 . . . . 8 VAL C . 10037 1 11 . 1 1 8 8 VAL CA C 13 62.166 0.300 . 1 . . . . 8 VAL CA . 10037 1 12 . 1 1 8 8 VAL CB C 13 32.880 0.300 . 1 . . . . 8 VAL CB . 10037 1 13 . 1 1 8 8 VAL CG1 C 13 21.123 0.300 . 2 . . . . 8 VAL CG1 . 10037 1 14 . 1 1 8 8 VAL CG2 C 13 20.481 0.300 . 2 . . . . 8 VAL CG2 . 10037 1 15 . 1 1 8 8 VAL N N 15 119.530 0.300 . 1 . . . . 8 VAL N . 10037 1 16 . 1 1 9 9 LYS H H 1 8.444 0.030 . 1 . . . . 9 LYS H . 10037 1 17 . 1 1 9 9 LYS HA H 1 4.622 0.030 . 1 . . . . 9 LYS HA . 10037 1 18 . 1 1 9 9 LYS HB2 H 1 1.698 0.030 . 2 . . . . 9 LYS HB2 . 10037 1 19 . 1 1 9 9 LYS HB3 H 1 1.814 0.030 . 2 . . . . 9 LYS HB3 . 10037 1 20 . 1 1 9 9 LYS HG2 H 1 1.466 0.030 . 1 . . . . 9 LYS HG2 . 10037 1 21 . 1 1 9 9 LYS HG3 H 1 1.466 0.030 . 1 . . . . 9 LYS HG3 . 10037 1 22 . 1 1 9 9 LYS HE2 H 1 2.993 0.030 . 1 . . . . 9 LYS HE2 . 10037 1 23 . 1 1 9 9 LYS HE3 H 1 2.993 0.030 . 1 . . . . 9 LYS HE3 . 10037 1 24 . 1 1 9 9 LYS C C 13 173.881 0.300 . 1 . . . . 9 LYS C . 10037 1 25 . 1 1 9 9 LYS CA C 13 54.080 0.300 . 1 . . . . 9 LYS CA . 10037 1 26 . 1 1 9 9 LYS CB C 13 32.699 0.300 . 1 . . . . 9 LYS CB . 10037 1 27 . 1 1 9 9 LYS CG C 13 24.671 0.300 . 1 . . . . 9 LYS CG . 10037 1 28 . 1 1 9 9 LYS CE C 13 42.192 0.300 . 1 . . . . 9 LYS CE . 10037 1 29 . 1 1 9 9 LYS N N 15 127.268 0.300 . 1 . . . . 9 LYS N . 10037 1 30 . 1 1 10 10 PRO HA H 1 4.837 0.030 . 1 . . . . 10 PRO HA . 10037 1 31 . 1 1 10 10 PRO HB2 H 1 2.387 0.030 . 2 . . . . 10 PRO HB2 . 10037 1 32 . 1 1 10 10 PRO HB3 H 1 1.984 0.030 . 2 . . . . 10 PRO HB3 . 10037 1 33 . 1 1 10 10 PRO HG2 H 1 1.710 0.030 . 2 . . . . 10 PRO HG2 . 10037 1 34 . 1 1 10 10 PRO HG3 H 1 1.997 0.030 . 2 . . . . 10 PRO HG3 . 10037 1 35 . 1 1 10 10 PRO HD2 H 1 3.877 0.030 . 2 . . . . 10 PRO HD2 . 10037 1 36 . 1 1 10 10 PRO HD3 H 1 3.608 0.030 . 2 . . . . 10 PRO HD3 . 10037 1 37 . 1 1 10 10 PRO CB C 13 30.937 0.300 . 1 . . . . 10 PRO CB . 10037 1 38 . 1 1 10 10 PRO CD C 13 50.661 0.300 . 1 . . . . 10 PRO CD . 10037 1 39 . 1 1 11 11 PRO HA H 1 4.476 0.030 . 1 . . . . 11 PRO HA . 10037 1 40 . 1 1 11 11 PRO HB2 H 1 2.241 0.030 . 2 . . . . 11 PRO HB2 . 10037 1 41 . 1 1 11 11 PRO HB3 H 1 1.872 0.030 . 2 . . . . 11 PRO HB3 . 10037 1 42 . 1 1 11 11 PRO HG2 H 1 1.987 0.030 . 1 . . . . 11 PRO HG2 . 10037 1 43 . 1 1 11 11 PRO HG3 H 1 1.987 0.030 . 1 . . . . 11 PRO HG3 . 10037 1 44 . 1 1 11 11 PRO HD2 H 1 3.825 0.030 . 2 . . . . 11 PRO HD2 . 10037 1 45 . 1 1 11 11 PRO HD3 H 1 3.618 0.030 . 2 . . . . 11 PRO HD3 . 10037 1 46 . 1 1 11 11 PRO C C 13 177.005 0.300 . 1 . . . . 11 PRO C . 10037 1 47 . 1 1 11 11 PRO CA C 13 63.166 0.300 . 1 . . . . 11 PRO CA . 10037 1 48 . 1 1 11 11 PRO CB C 13 32.006 0.300 . 1 . . . . 11 PRO CB . 10037 1 49 . 1 1 11 11 PRO CG C 13 27.380 0.300 . 1 . . . . 11 PRO CG . 10037 1 50 . 1 1 11 11 PRO CD C 13 50.375 0.300 . 1 . . . . 11 PRO CD . 10037 1 51 . 1 1 12 12 HIS H H 1 7.414 0.030 . 1 . . . . 12 HIS H . 10037 1 52 . 1 1 12 12 HIS HA H 1 4.492 0.030 . 1 . . . . 12 HIS HA . 10037 1 53 . 1 1 12 12 HIS HB2 H 1 3.098 0.030 . 1 . . . . 12 HIS HB2 . 10037 1 54 . 1 1 12 12 HIS HB3 H 1 3.098 0.030 . 1 . . . . 12 HIS HB3 . 10037 1 55 . 1 1 12 12 HIS HD2 H 1 6.953 0.030 . 1 . . . . 12 HIS HD2 . 10037 1 56 . 1 1 12 12 HIS HE1 H 1 7.798 0.030 . 1 . . . . 12 HIS HE1 . 10037 1 57 . 1 1 12 12 HIS C C 13 176.048 0.300 . 1 . . . . 12 HIS C . 10037 1 58 . 1 1 12 12 HIS CA C 13 55.602 0.300 . 1 . . . . 12 HIS CA . 10037 1 59 . 1 1 12 12 HIS CB C 13 31.559 0.300 . 1 . . . . 12 HIS CB . 10037 1 60 . 1 1 12 12 HIS CD2 C 13 119.281 0.300 . 1 . . . . 12 HIS CD2 . 10037 1 61 . 1 1 12 12 HIS CE1 C 13 138.624 0.300 . 1 . . . . 12 HIS CE1 . 10037 1 62 . 1 1 12 12 HIS N N 15 117.032 0.300 . 1 . . . . 12 HIS N . 10037 1 63 . 1 1 13 13 GLY H H 1 8.130 0.030 . 1 . . . . 13 GLY H . 10037 1 64 . 1 1 13 13 GLY HA2 H 1 3.977 0.030 . 2 . . . . 13 GLY HA2 . 10037 1 65 . 1 1 13 13 GLY HA3 H 1 3.656 0.030 . 2 . . . . 13 GLY HA3 . 10037 1 66 . 1 1 13 13 GLY C C 13 175.476 0.300 . 1 . . . . 13 GLY C . 10037 1 67 . 1 1 13 13 GLY CA C 13 45.332 0.300 . 1 . . . . 13 GLY CA . 10037 1 68 . 1 1 13 13 GLY N N 15 107.653 0.300 . 1 . . . . 13 GLY N . 10037 1 69 . 1 1 14 14 PHE H H 1 10.335 0.030 . 1 . . . . 14 PHE H . 10037 1 70 . 1 1 14 14 PHE HA H 1 4.911 0.030 . 1 . . . . 14 PHE HA . 10037 1 71 . 1 1 14 14 PHE HB2 H 1 3.043 0.030 . 2 . . . . 14 PHE HB2 . 10037 1 72 . 1 1 14 14 PHE HB3 H 1 2.832 0.030 . 2 . . . . 14 PHE HB3 . 10037 1 73 . 1 1 14 14 PHE HD1 H 1 7.096 0.030 . 1 . . . . 14 PHE HD1 . 10037 1 74 . 1 1 14 14 PHE HD2 H 1 7.096 0.030 . 1 . . . . 14 PHE HD2 . 10037 1 75 . 1 1 14 14 PHE HE1 H 1 7.438 0.030 . 1 . . . . 14 PHE HE1 . 10037 1 76 . 1 1 14 14 PHE HE2 H 1 7.438 0.030 . 1 . . . . 14 PHE HE2 . 10037 1 77 . 1 1 14 14 PHE HZ H 1 7.259 0.030 . 1 . . . . 14 PHE HZ . 10037 1 78 . 1 1 14 14 PHE C C 13 175.440 0.300 . 1 . . . . 14 PHE C . 10037 1 79 . 1 1 14 14 PHE CA C 13 58.758 0.300 . 1 . . . . 14 PHE CA . 10037 1 80 . 1 1 14 14 PHE CB C 13 39.513 0.300 . 1 . . . . 14 PHE CB . 10037 1 81 . 1 1 14 14 PHE CD1 C 13 131.161 0.300 . 1 . . . . 14 PHE CD1 . 10037 1 82 . 1 1 14 14 PHE CD2 C 13 131.161 0.300 . 1 . . . . 14 PHE CD2 . 10037 1 83 . 1 1 14 14 PHE CE1 C 13 131.710 0.300 . 1 . . . . 14 PHE CE1 . 10037 1 84 . 1 1 14 14 PHE CE2 C 13 131.710 0.300 . 1 . . . . 14 PHE CE2 . 10037 1 85 . 1 1 14 14 PHE CZ C 13 130.097 0.300 . 1 . . . . 14 PHE CZ . 10037 1 86 . 1 1 14 14 PHE N N 15 123.171 0.300 . 1 . . . . 14 PHE N . 10037 1 87 . 1 1 15 15 GLN H H 1 7.695 0.030 . 1 . . . . 15 GLN H . 10037 1 88 . 1 1 15 15 GLN HA H 1 4.787 0.030 . 1 . . . . 15 GLN HA . 10037 1 89 . 1 1 15 15 GLN HB2 H 1 2.240 0.030 . 2 . . . . 15 GLN HB2 . 10037 1 90 . 1 1 15 15 GLN HB3 H 1 1.850 0.030 . 2 . . . . 15 GLN HB3 . 10037 1 91 . 1 1 15 15 GLN HG2 H 1 2.412 0.030 . 1 . . . . 15 GLN HG2 . 10037 1 92 . 1 1 15 15 GLN HG3 H 1 2.412 0.030 . 1 . . . . 15 GLN HG3 . 10037 1 93 . 1 1 15 15 GLN HE21 H 1 7.473 0.030 . 2 . . . . 15 GLN HE21 . 10037 1 94 . 1 1 15 15 GLN HE22 H 1 6.860 0.030 . 2 . . . . 15 GLN HE22 . 10037 1 95 . 1 1 15 15 GLN C C 13 175.027 0.300 . 1 . . . . 15 GLN C . 10037 1 96 . 1 1 15 15 GLN CA C 13 53.149 0.300 . 1 . . . . 15 GLN CA . 10037 1 97 . 1 1 15 15 GLN CB C 13 32.943 0.300 . 1 . . . . 15 GLN CB . 10037 1 98 . 1 1 15 15 GLN CG C 13 33.396 0.300 . 1 . . . . 15 GLN CG . 10037 1 99 . 1 1 15 15 GLN N N 15 118.683 0.300 . 1 . . . . 15 GLN N . 10037 1 100 . 1 1 15 15 GLN NE2 N 15 112.373 0.300 . 1 . . . . 15 GLN NE2 . 10037 1 101 . 1 1 16 16 LYS H H 1 8.766 0.030 . 1 . . . . 16 LYS H . 10037 1 102 . 1 1 16 16 LYS HA H 1 3.693 0.030 . 1 . . . . 16 LYS HA . 10037 1 103 . 1 1 16 16 LYS HB2 H 1 1.788 0.030 . 2 . . . . 16 LYS HB2 . 10037 1 104 . 1 1 16 16 LYS HB3 H 1 1.756 0.030 . 2 . . . . 16 LYS HB3 . 10037 1 105 . 1 1 16 16 LYS HG2 H 1 1.202 0.030 . 2 . . . . 16 LYS HG2 . 10037 1 106 . 1 1 16 16 LYS HG3 H 1 1.617 0.030 . 2 . . . . 16 LYS HG3 . 10037 1 107 . 1 1 16 16 LYS HD2 H 1 1.848 0.030 . 2 . . . . 16 LYS HD2 . 10037 1 108 . 1 1 16 16 LYS HD3 H 1 1.785 0.030 . 2 . . . . 16 LYS HD3 . 10037 1 109 . 1 1 16 16 LYS HE2 H 1 3.169 0.030 . 1 . . . . 16 LYS HE2 . 10037 1 110 . 1 1 16 16 LYS HE3 H 1 3.169 0.030 . 1 . . . . 16 LYS HE3 . 10037 1 111 . 1 1 16 16 LYS C C 13 177.191 0.300 . 1 . . . . 16 LYS C . 10037 1 112 . 1 1 16 16 LYS CA C 13 59.040 0.300 . 1 . . . . 16 LYS CA . 10037 1 113 . 1 1 16 16 LYS CB C 13 32.862 0.300 . 1 . . . . 16 LYS CB . 10037 1 114 . 1 1 16 16 LYS CG C 13 26.527 0.300 . 1 . . . . 16 LYS CG . 10037 1 115 . 1 1 16 16 LYS CD C 13 29.853 0.300 . 1 . . . . 16 LYS CD . 10037 1 116 . 1 1 16 16 LYS CE C 13 41.986 0.300 . 1 . . . . 16 LYS CE . 10037 1 117 . 1 1 16 16 LYS N N 15 120.596 0.300 . 1 . . . . 16 LYS N . 10037 1 118 . 1 1 17 17 LYS H H 1 8.980 0.030 . 1 . . . . 17 LYS H . 10037 1 119 . 1 1 17 17 LYS HA H 1 3.603 0.030 . 1 . . . . 17 LYS HA . 10037 1 120 . 1 1 17 17 LYS HB2 H 1 2.446 0.030 . 2 . . . . 17 LYS HB2 . 10037 1 121 . 1 1 17 17 LYS HB3 H 1 2.027 0.030 . 2 . . . . 17 LYS HB3 . 10037 1 122 . 1 1 17 17 LYS HG2 H 1 1.464 0.030 . 2 . . . . 17 LYS HG2 . 10037 1 123 . 1 1 17 17 LYS HG3 H 1 1.388 0.030 . 2 . . . . 17 LYS HG3 . 10037 1 124 . 1 1 17 17 LYS HD2 H 1 1.732 0.030 . 2 . . . . 17 LYS HD2 . 10037 1 125 . 1 1 17 17 LYS HD3 H 1 1.694 0.030 . 2 . . . . 17 LYS HD3 . 10037 1 126 . 1 1 17 17 LYS HE2 H 1 3.015 0.030 . 1 . . . . 17 LYS HE2 . 10037 1 127 . 1 1 17 17 LYS HE3 H 1 3.015 0.030 . 1 . . . . 17 LYS HE3 . 10037 1 128 . 1 1 17 17 LYS C C 13 176.267 0.300 . 1 . . . . 17 LYS C . 10037 1 129 . 1 1 17 17 LYS CA C 13 59.810 0.300 . 1 . . . . 17 LYS CA . 10037 1 130 . 1 1 17 17 LYS CB C 13 30.365 0.300 . 1 . . . . 17 LYS CB . 10037 1 131 . 1 1 17 17 LYS CG C 13 26.037 0.300 . 1 . . . . 17 LYS CG . 10037 1 132 . 1 1 17 17 LYS CD C 13 29.209 0.300 . 1 . . . . 17 LYS CD . 10037 1 133 . 1 1 17 17 LYS CE C 13 42.133 0.300 . 1 . . . . 17 LYS CE . 10037 1 134 . 1 1 17 17 LYS N N 15 114.090 0.300 . 1 . . . . 17 LYS N . 10037 1 135 . 1 1 18 18 MET H H 1 7.728 0.030 . 1 . . . . 18 MET H . 10037 1 136 . 1 1 18 18 MET HA H 1 4.384 0.030 . 1 . . . . 18 MET HA . 10037 1 137 . 1 1 18 18 MET HB2 H 1 2.234 0.030 . 2 . . . . 18 MET HB2 . 10037 1 138 . 1 1 18 18 MET HB3 H 1 2.295 0.030 . 2 . . . . 18 MET HB3 . 10037 1 139 . 1 1 18 18 MET HG2 H 1 2.876 0.030 . 2 . . . . 18 MET HG2 . 10037 1 140 . 1 1 18 18 MET HG3 H 1 2.749 0.030 . 2 . . . . 18 MET HG3 . 10037 1 141 . 1 1 18 18 MET HE1 H 1 2.351 0.030 . 1 . . . . 18 MET HE . 10037 1 142 . 1 1 18 18 MET HE2 H 1 2.351 0.030 . 1 . . . . 18 MET HE . 10037 1 143 . 1 1 18 18 MET HE3 H 1 2.351 0.030 . 1 . . . . 18 MET HE . 10037 1 144 . 1 1 18 18 MET C C 13 174.297 0.300 . 1 . . . . 18 MET C . 10037 1 145 . 1 1 18 18 MET CA C 13 57.434 0.300 . 1 . . . . 18 MET CA . 10037 1 146 . 1 1 18 18 MET CB C 13 34.423 0.300 . 1 . . . . 18 MET CB . 10037 1 147 . 1 1 18 18 MET CG C 13 32.797 0.300 . 1 . . . . 18 MET CG . 10037 1 148 . 1 1 18 18 MET CE C 13 17.176 0.300 . 1 . . . . 18 MET CE . 10037 1 149 . 1 1 18 18 MET N N 15 119.915 0.300 . 1 . . . . 18 MET N . 10037 1 150 . 1 1 19 19 LYS H H 1 8.432 0.030 . 1 . . . . 19 LYS H . 10037 1 151 . 1 1 19 19 LYS HA H 1 5.452 0.030 . 1 . . . . 19 LYS HA . 10037 1 152 . 1 1 19 19 LYS HB2 H 1 1.795 0.030 . 2 . . . . 19 LYS HB2 . 10037 1 153 . 1 1 19 19 LYS HB3 H 1 1.851 0.030 . 2 . . . . 19 LYS HB3 . 10037 1 154 . 1 1 19 19 LYS HG2 H 1 1.609 0.030 . 1 . . . . 19 LYS HG2 . 10037 1 155 . 1 1 19 19 LYS HG3 H 1 1.609 0.030 . 1 . . . . 19 LYS HG3 . 10037 1 156 . 1 1 19 19 LYS HD2 H 1 1.726 0.030 . 2 . . . . 19 LYS HD2 . 10037 1 157 . 1 1 19 19 LYS HD3 H 1 1.648 0.030 . 2 . . . . 19 LYS HD3 . 10037 1 158 . 1 1 19 19 LYS HE2 H 1 2.986 0.030 . 2 . . . . 19 LYS HE2 . 10037 1 159 . 1 1 19 19 LYS HE3 H 1 3.041 0.030 . 2 . . . . 19 LYS HE3 . 10037 1 160 . 1 1 19 19 LYS C C 13 175.416 0.300 . 1 . . . . 19 LYS C . 10037 1 161 . 1 1 19 19 LYS CA C 13 54.384 0.300 . 1 . . . . 19 LYS CA . 10037 1 162 . 1 1 19 19 LYS CB C 13 34.082 0.300 . 1 . . . . 19 LYS CB . 10037 1 163 . 1 1 19 19 LYS CG C 13 25.062 0.300 . 1 . . . . 19 LYS CG . 10037 1 164 . 1 1 19 19 LYS CD C 13 28.471 0.300 . 1 . . . . 19 LYS CD . 10037 1 165 . 1 1 19 19 LYS CE C 13 42.133 0.300 . 1 . . . . 19 LYS CE . 10037 1 166 . 1 1 19 19 LYS N N 15 120.784 0.300 . 1 . . . . 19 LYS N . 10037 1 167 . 1 1 20 20 LEU H H 1 8.834 0.030 . 1 . . . . 20 LEU H . 10037 1 168 . 1 1 20 20 LEU HA H 1 4.779 0.030 . 1 . . . . 20 LEU HA . 10037 1 169 . 1 1 20 20 LEU HB2 H 1 1.475 0.030 . 2 . . . . 20 LEU HB2 . 10037 1 170 . 1 1 20 20 LEU HB3 H 1 1.180 0.030 . 2 . . . . 20 LEU HB3 . 10037 1 171 . 1 1 20 20 LEU HG H 1 1.291 0.030 . 1 . . . . 20 LEU HG . 10037 1 172 . 1 1 20 20 LEU HD11 H 1 0.761 0.030 . 1 . . . . 20 LEU HD1 . 10037 1 173 . 1 1 20 20 LEU HD12 H 1 0.761 0.030 . 1 . . . . 20 LEU HD1 . 10037 1 174 . 1 1 20 20 LEU HD13 H 1 0.761 0.030 . 1 . . . . 20 LEU HD1 . 10037 1 175 . 1 1 20 20 LEU HD21 H 1 0.242 0.030 . 1 . . . . 20 LEU HD2 . 10037 1 176 . 1 1 20 20 LEU HD22 H 1 0.242 0.030 . 1 . . . . 20 LEU HD2 . 10037 1 177 . 1 1 20 20 LEU HD23 H 1 0.242 0.030 . 1 . . . . 20 LEU HD2 . 10037 1 178 . 1 1 20 20 LEU C C 13 175.039 0.300 . 1 . . . . 20 LEU C . 10037 1 179 . 1 1 20 20 LEU CA C 13 53.522 0.300 . 1 . . . . 20 LEU CA . 10037 1 180 . 1 1 20 20 LEU CB C 13 48.461 0.300 . 1 . . . . 20 LEU CB . 10037 1 181 . 1 1 20 20 LEU CG C 13 26.727 0.300 . 1 . . . . 20 LEU CG . 10037 1 182 . 1 1 20 20 LEU CD1 C 13 23.197 0.300 . 2 . . . . 20 LEU CD1 . 10037 1 183 . 1 1 20 20 LEU CD2 C 13 26.029 0.300 . 2 . . . . 20 LEU CD2 . 10037 1 184 . 1 1 20 20 LEU N N 15 119.585 0.300 . 1 . . . . 20 LEU N . 10037 1 185 . 1 1 21 21 GLU H H 1 8.683 0.030 . 1 . . . . 21 GLU H . 10037 1 186 . 1 1 21 21 GLU HA H 1 4.851 0.030 . 1 . . . . 21 GLU HA . 10037 1 187 . 1 1 21 21 GLU HB2 H 1 1.709 0.030 . 2 . . . . 21 GLU HB2 . 10037 1 188 . 1 1 21 21 GLU HB3 H 1 1.874 0.030 . 2 . . . . 21 GLU HB3 . 10037 1 189 . 1 1 21 21 GLU HG2 H 1 2.313 0.030 . 2 . . . . 21 GLU HG2 . 10037 1 190 . 1 1 21 21 GLU HG3 H 1 2.223 0.030 . 2 . . . . 21 GLU HG3 . 10037 1 191 . 1 1 21 21 GLU C C 13 175.233 0.300 . 1 . . . . 21 GLU C . 10037 1 192 . 1 1 21 21 GLU CA C 13 55.290 0.300 . 1 . . . . 21 GLU CA . 10037 1 193 . 1 1 21 21 GLU CB C 13 30.814 0.300 . 1 . . . . 21 GLU CB . 10037 1 194 . 1 1 21 21 GLU CG C 13 37.151 0.300 . 1 . . . . 21 GLU CG . 10037 1 195 . 1 1 21 21 GLU N N 15 121.028 0.300 . 1 . . . . 21 GLU N . 10037 1 196 . 1 1 22 22 VAL H H 1 8.894 0.030 . 1 . . . . 22 VAL H . 10037 1 197 . 1 1 22 22 VAL HA H 1 4.985 0.030 . 1 . . . . 22 VAL HA . 10037 1 198 . 1 1 22 22 VAL HB H 1 1.850 0.030 . 1 . . . . 22 VAL HB . 10037 1 199 . 1 1 22 22 VAL HG11 H 1 0.873 0.030 . 1 . . . . 22 VAL HG1 . 10037 1 200 . 1 1 22 22 VAL HG12 H 1 0.873 0.030 . 1 . . . . 22 VAL HG1 . 10037 1 201 . 1 1 22 22 VAL HG13 H 1 0.873 0.030 . 1 . . . . 22 VAL HG1 . 10037 1 202 . 1 1 22 22 VAL HG21 H 1 0.696 0.030 . 1 . . . . 22 VAL HG2 . 10037 1 203 . 1 1 22 22 VAL HG22 H 1 0.696 0.030 . 1 . . . . 22 VAL HG2 . 10037 1 204 . 1 1 22 22 VAL HG23 H 1 0.696 0.030 . 1 . . . . 22 VAL HG2 . 10037 1 205 . 1 1 22 22 VAL C C 13 175.404 0.300 . 1 . . . . 22 VAL C . 10037 1 206 . 1 1 22 22 VAL CA C 13 59.994 0.300 . 1 . . . . 22 VAL CA . 10037 1 207 . 1 1 22 22 VAL CB C 13 35.982 0.300 . 1 . . . . 22 VAL CB . 10037 1 208 . 1 1 22 22 VAL CG1 C 13 21.567 0.300 . 2 . . . . 22 VAL CG1 . 10037 1 209 . 1 1 22 22 VAL CG2 C 13 23.095 0.300 . 2 . . . . 22 VAL CG2 . 10037 1 210 . 1 1 22 22 VAL N N 15 121.877 0.300 . 1 . . . . 22 VAL N . 10037 1 211 . 1 1 23 23 VAL H H 1 8.433 0.030 . 1 . . . . 23 VAL H . 10037 1 212 . 1 1 23 23 VAL HA H 1 4.047 0.030 . 1 . . . . 23 VAL HA . 10037 1 213 . 1 1 23 23 VAL HB H 1 1.899 0.030 . 1 . . . . 23 VAL HB . 10037 1 214 . 1 1 23 23 VAL HG11 H 1 0.987 0.030 . 1 . . . . 23 VAL HG1 . 10037 1 215 . 1 1 23 23 VAL HG12 H 1 0.987 0.030 . 1 . . . . 23 VAL HG1 . 10037 1 216 . 1 1 23 23 VAL HG13 H 1 0.987 0.030 . 1 . . . . 23 VAL HG1 . 10037 1 217 . 1 1 23 23 VAL HG21 H 1 1.049 0.030 . 1 . . . . 23 VAL HG2 . 10037 1 218 . 1 1 23 23 VAL HG22 H 1 1.049 0.030 . 1 . . . . 23 VAL HG2 . 10037 1 219 . 1 1 23 23 VAL HG23 H 1 1.049 0.030 . 1 . . . . 23 VAL HG2 . 10037 1 220 . 1 1 23 23 VAL C C 13 174.885 0.300 . 1 . . . . 23 VAL C . 10037 1 221 . 1 1 23 23 VAL CA C 13 62.778 0.300 . 1 . . . . 23 VAL CA . 10037 1 222 . 1 1 23 23 VAL CB C 13 32.984 0.300 . 1 . . . . 23 VAL CB . 10037 1 223 . 1 1 23 23 VAL CG1 C 13 21.540 0.300 . 2 . . . . 23 VAL CG1 . 10037 1 224 . 1 1 23 23 VAL CG2 C 13 22.055 0.300 . 2 . . . . 23 VAL CG2 . 10037 1 225 . 1 1 23 23 VAL N N 15 128.036 0.300 . 1 . . . . 23 VAL N . 10037 1 226 . 1 1 24 24 ASP H H 1 8.361 0.030 . 1 . . . . 24 ASP H . 10037 1 227 . 1 1 24 24 ASP HA H 1 4.419 0.030 . 1 . . . . 24 ASP HA . 10037 1 228 . 1 1 24 24 ASP HB2 H 1 3.440 0.030 . 2 . . . . 24 ASP HB2 . 10037 1 229 . 1 1 24 24 ASP HB3 H 1 2.155 0.030 . 2 . . . . 24 ASP HB3 . 10037 1 230 . 1 1 24 24 ASP C C 13 176.924 0.300 . 1 . . . . 24 ASP C . 10037 1 231 . 1 1 24 24 ASP CA C 13 54.260 0.300 . 1 . . . . 24 ASP CA . 10037 1 232 . 1 1 24 24 ASP CB C 13 42.717 0.300 . 1 . . . . 24 ASP CB . 10037 1 233 . 1 1 24 24 ASP N N 15 127.834 0.300 . 1 . . . . 24 ASP N . 10037 1 234 . 1 1 25 25 LYS H H 1 7.915 0.030 . 1 . . . . 25 LYS H . 10037 1 235 . 1 1 25 25 LYS HA H 1 4.047 0.030 . 1 . . . . 25 LYS HA . 10037 1 236 . 1 1 25 25 LYS HB2 H 1 1.667 0.030 . 2 . . . . 25 LYS HB2 . 10037 1 237 . 1 1 25 25 LYS HB3 H 1 1.791 0.030 . 2 . . . . 25 LYS HB3 . 10037 1 238 . 1 1 25 25 LYS HG2 H 1 1.246 0.030 . 1 . . . . 25 LYS HG2 . 10037 1 239 . 1 1 25 25 LYS HG3 H 1 1.246 0.030 . 1 . . . . 25 LYS HG3 . 10037 1 240 . 1 1 25 25 LYS HD2 H 1 1.424 0.030 . 2 . . . . 25 LYS HD2 . 10037 1 241 . 1 1 25 25 LYS HD3 H 1 1.354 0.030 . 2 . . . . 25 LYS HD3 . 10037 1 242 . 1 1 25 25 LYS HE2 H 1 2.699 0.030 . 2 . . . . 25 LYS HE2 . 10037 1 243 . 1 1 25 25 LYS HE3 H 1 2.517 0.030 . 2 . . . . 25 LYS HE3 . 10037 1 244 . 1 1 25 25 LYS C C 13 177.800 0.300 . 1 . . . . 25 LYS C . 10037 1 245 . 1 1 25 25 LYS CA C 13 58.476 0.300 . 1 . . . . 25 LYS CA . 10037 1 246 . 1 1 25 25 LYS CB C 13 32.581 0.300 . 1 . . . . 25 LYS CB . 10037 1 247 . 1 1 25 25 LYS CG C 13 24.413 0.300 . 1 . . . . 25 LYS CG . 10037 1 248 . 1 1 25 25 LYS CD C 13 29.493 0.300 . 1 . . . . 25 LYS CD . 10037 1 249 . 1 1 25 25 LYS CE C 13 41.858 0.300 . 1 . . . . 25 LYS CE . 10037 1 250 . 1 1 25 25 LYS N N 15 125.436 0.300 . 1 . . . . 25 LYS N . 10037 1 251 . 1 1 26 26 ARG H H 1 8.375 0.030 . 1 . . . . 26 ARG H . 10037 1 252 . 1 1 26 26 ARG HA H 1 4.182 0.030 . 1 . . . . 26 ARG HA . 10037 1 253 . 1 1 26 26 ARG HB2 H 1 1.872 0.030 . 1 . . . . 26 ARG HB2 . 10037 1 254 . 1 1 26 26 ARG HB3 H 1 1.872 0.030 . 1 . . . . 26 ARG HB3 . 10037 1 255 . 1 1 26 26 ARG HG2 H 1 1.610 0.030 . 1 . . . . 26 ARG HG2 . 10037 1 256 . 1 1 26 26 ARG HG3 H 1 1.610 0.030 . 1 . . . . 26 ARG HG3 . 10037 1 257 . 1 1 26 26 ARG HD2 H 1 3.262 0.030 . 1 . . . . 26 ARG HD2 . 10037 1 258 . 1 1 26 26 ARG HD3 H 1 3.262 0.030 . 1 . . . . 26 ARG HD3 . 10037 1 259 . 1 1 26 26 ARG C C 13 177.204 0.300 . 1 . . . . 26 ARG C . 10037 1 260 . 1 1 26 26 ARG CA C 13 57.224 0.300 . 1 . . . . 26 ARG CA . 10037 1 261 . 1 1 26 26 ARG CB C 13 30.392 0.300 . 1 . . . . 26 ARG CB . 10037 1 262 . 1 1 26 26 ARG CG C 13 28.142 0.300 . 1 . . . . 26 ARG CG . 10037 1 263 . 1 1 26 26 ARG CD C 13 43.300 0.300 . 1 . . . . 26 ARG CD . 10037 1 264 . 1 1 26 26 ARG N N 15 116.864 0.300 . 1 . . . . 26 ARG N . 10037 1 265 . 1 1 27 27 ASN H H 1 7.604 0.030 . 1 . . . . 27 ASN H . 10037 1 266 . 1 1 27 27 ASN HA H 1 4.888 0.030 . 1 . . . . 27 ASN HA . 10037 1 267 . 1 1 27 27 ASN HB2 H 1 2.656 0.030 . 2 . . . . 27 ASN HB2 . 10037 1 268 . 1 1 27 27 ASN HB3 H 1 2.866 0.030 . 2 . . . . 27 ASN HB3 . 10037 1 269 . 1 1 27 27 ASN HD21 H 1 6.771 0.030 . 2 . . . . 27 ASN HD21 . 10037 1 270 . 1 1 27 27 ASN HD22 H 1 7.484 0.030 . 2 . . . . 27 ASN HD22 . 10037 1 271 . 1 1 27 27 ASN C C 13 172.448 0.300 . 1 . . . . 27 ASN C . 10037 1 272 . 1 1 27 27 ASN CA C 13 51.050 0.300 . 1 . . . . 27 ASN CA . 10037 1 273 . 1 1 27 27 ASN CB C 13 39.229 0.300 . 1 . . . . 27 ASN CB . 10037 1 274 . 1 1 27 27 ASN N N 15 114.717 0.300 . 1 . . . . 27 ASN N . 10037 1 275 . 1 1 27 27 ASN ND2 N 15 112.362 0.300 . 1 . . . . 27 ASN ND2 . 10037 1 276 . 1 1 28 28 PRO HA H 1 4.621 0.030 . 1 . . . . 28 PRO HA . 10037 1 277 . 1 1 28 28 PRO HB2 H 1 2.229 0.030 . 2 . . . . 28 PRO HB2 . 10037 1 278 . 1 1 28 28 PRO HB3 H 1 2.012 0.030 . 2 . . . . 28 PRO HB3 . 10037 1 279 . 1 1 28 28 PRO HG2 H 1 1.894 0.030 . 2 . . . . 28 PRO HG2 . 10037 1 280 . 1 1 28 28 PRO HG3 H 1 1.986 0.030 . 2 . . . . 28 PRO HG3 . 10037 1 281 . 1 1 28 28 PRO HD2 H 1 3.492 0.030 . 2 . . . . 28 PRO HD2 . 10037 1 282 . 1 1 28 28 PRO HD3 H 1 3.738 0.030 . 2 . . . . 28 PRO HD3 . 10037 1 283 . 1 1 28 28 PRO C C 13 176.323 0.300 . 1 . . . . 28 PRO C . 10037 1 284 . 1 1 28 28 PRO CA C 13 64.481 0.300 . 1 . . . . 28 PRO CA . 10037 1 285 . 1 1 28 28 PRO CB C 13 31.749 0.300 . 1 . . . . 28 PRO CB . 10037 1 286 . 1 1 28 28 PRO CG C 13 26.846 0.300 . 1 . . . . 28 PRO CG . 10037 1 287 . 1 1 28 28 PRO CD C 13 50.666 0.300 . 1 . . . . 28 PRO CD . 10037 1 288 . 1 1 29 29 MET H H 1 7.585 0.030 . 1 . . . . 29 MET H . 10037 1 289 . 1 1 29 29 MET HA H 1 4.466 0.030 . 1 . . . . 29 MET HA . 10037 1 290 . 1 1 29 29 MET HB2 H 1 1.794 0.030 . 2 . . . . 29 MET HB2 . 10037 1 291 . 1 1 29 29 MET HB3 H 1 1.882 0.030 . 2 . . . . 29 MET HB3 . 10037 1 292 . 1 1 29 29 MET HG2 H 1 2.237 0.030 . 2 . . . . 29 MET HG2 . 10037 1 293 . 1 1 29 29 MET HG3 H 1 2.379 0.030 . 2 . . . . 29 MET HG3 . 10037 1 294 . 1 1 29 29 MET HE1 H 1 2.037 0.030 . 1 . . . . 29 MET HE . 10037 1 295 . 1 1 29 29 MET HE2 H 1 2.037 0.030 . 1 . . . . 29 MET HE . 10037 1 296 . 1 1 29 29 MET HE3 H 1 2.037 0.030 . 1 . . . . 29 MET HE . 10037 1 297 . 1 1 29 29 MET C C 13 176.365 0.300 . 1 . . . . 29 MET C . 10037 1 298 . 1 1 29 29 MET CA C 13 56.219 0.300 . 1 . . . . 29 MET CA . 10037 1 299 . 1 1 29 29 MET CB C 13 31.772 0.300 . 1 . . . . 29 MET CB . 10037 1 300 . 1 1 29 29 MET CG C 13 32.007 0.300 . 1 . . . . 29 MET CG . 10037 1 301 . 1 1 29 29 MET CE C 13 16.836 0.300 . 1 . . . . 29 MET CE . 10037 1 302 . 1 1 29 29 MET N N 15 115.584 0.300 . 1 . . . . 29 MET N . 10037 1 303 . 1 1 30 30 PHE H H 1 8.563 0.030 . 1 . . . . 30 PHE H . 10037 1 304 . 1 1 30 30 PHE HA H 1 5.051 0.030 . 1 . . . . 30 PHE HA . 10037 1 305 . 1 1 30 30 PHE HB2 H 1 3.181 0.030 . 2 . . . . 30 PHE HB2 . 10037 1 306 . 1 1 30 30 PHE HB3 H 1 2.955 0.030 . 2 . . . . 30 PHE HB3 . 10037 1 307 . 1 1 30 30 PHE HD1 H 1 7.167 0.030 . 1 . . . . 30 PHE HD1 . 10037 1 308 . 1 1 30 30 PHE HD2 H 1 7.167 0.030 . 1 . . . . 30 PHE HD2 . 10037 1 309 . 1 1 30 30 PHE HE1 H 1 7.275 0.030 . 1 . . . . 30 PHE HE1 . 10037 1 310 . 1 1 30 30 PHE HE2 H 1 7.275 0.030 . 1 . . . . 30 PHE HE2 . 10037 1 311 . 1 1 30 30 PHE HZ H 1 7.231 0.030 . 1 . . . . 30 PHE HZ . 10037 1 312 . 1 1 30 30 PHE C C 13 173.300 0.300 . 1 . . . . 30 PHE C . 10037 1 313 . 1 1 30 30 PHE CA C 13 55.620 0.300 . 1 . . . . 30 PHE CA . 10037 1 314 . 1 1 30 30 PHE CB C 13 40.114 0.300 . 1 . . . . 30 PHE CB . 10037 1 315 . 1 1 30 30 PHE CD1 C 13 130.849 0.300 . 1 . . . . 30 PHE CD1 . 10037 1 316 . 1 1 30 30 PHE CD2 C 13 130.849 0.300 . 1 . . . . 30 PHE CD2 . 10037 1 317 . 1 1 30 30 PHE CE1 C 13 131.431 0.300 . 1 . . . . 30 PHE CE1 . 10037 1 318 . 1 1 30 30 PHE CE2 C 13 131.431 0.300 . 1 . . . . 30 PHE CE2 . 10037 1 319 . 1 1 30 30 PHE CZ C 13 129.688 0.300 . 1 . . . . 30 PHE CZ . 10037 1 320 . 1 1 30 30 PHE N N 15 121.107 0.300 . 1 . . . . 30 PHE N . 10037 1 321 . 1 1 31 31 ILE H H 1 8.741 0.030 . 1 . . . . 31 ILE H . 10037 1 322 . 1 1 31 31 ILE HA H 1 4.613 0.030 . 1 . . . . 31 ILE HA . 10037 1 323 . 1 1 31 31 ILE HB H 1 1.877 0.030 . 1 . . . . 31 ILE HB . 10037 1 324 . 1 1 31 31 ILE HG12 H 1 0.989 0.030 . 2 . . . . 31 ILE HG12 . 10037 1 325 . 1 1 31 31 ILE HG13 H 1 1.524 0.030 . 2 . . . . 31 ILE HG13 . 10037 1 326 . 1 1 31 31 ILE HG21 H 1 0.708 0.030 . 1 . . . . 31 ILE HG2 . 10037 1 327 . 1 1 31 31 ILE HG22 H 1 0.708 0.030 . 1 . . . . 31 ILE HG2 . 10037 1 328 . 1 1 31 31 ILE HG23 H 1 0.708 0.030 . 1 . . . . 31 ILE HG2 . 10037 1 329 . 1 1 31 31 ILE HD11 H 1 0.676 0.030 . 1 . . . . 31 ILE HD1 . 10037 1 330 . 1 1 31 31 ILE HD12 H 1 0.676 0.030 . 1 . . . . 31 ILE HD1 . 10037 1 331 . 1 1 31 31 ILE HD13 H 1 0.676 0.030 . 1 . . . . 31 ILE HD1 . 10037 1 332 . 1 1 31 31 ILE C C 13 174.516 0.300 . 1 . . . . 31 ILE C . 10037 1 333 . 1 1 31 31 ILE CA C 13 60.303 0.300 . 1 . . . . 31 ILE CA . 10037 1 334 . 1 1 31 31 ILE CB C 13 39.125 0.300 . 1 . . . . 31 ILE CB . 10037 1 335 . 1 1 31 31 ILE CG1 C 13 28.743 0.300 . 1 . . . . 31 ILE CG1 . 10037 1 336 . 1 1 31 31 ILE CG2 C 13 18.797 0.300 . 1 . . . . 31 ILE CG2 . 10037 1 337 . 1 1 31 31 ILE CD1 C 13 13.786 0.300 . 1 . . . . 31 ILE CD1 . 10037 1 338 . 1 1 31 31 ILE N N 15 124.295 0.300 . 1 . . . . 31 ILE N . 10037 1 339 . 1 1 32 32 ARG H H 1 8.546 0.030 . 1 . . . . 32 ARG H . 10037 1 340 . 1 1 32 32 ARG HA H 1 4.916 0.030 . 1 . . . . 32 ARG HA . 10037 1 341 . 1 1 32 32 ARG HB2 H 1 1.361 0.030 . 2 . . . . 32 ARG HB2 . 10037 1 342 . 1 1 32 32 ARG HB3 H 1 1.601 0.030 . 2 . . . . 32 ARG HB3 . 10037 1 343 . 1 1 32 32 ARG HG2 H 1 0.981 0.030 . 2 . . . . 32 ARG HG2 . 10037 1 344 . 1 1 32 32 ARG HG3 H 1 1.446 0.030 . 2 . . . . 32 ARG HG3 . 10037 1 345 . 1 1 32 32 ARG HD2 H 1 2.385 0.030 . 2 . . . . 32 ARG HD2 . 10037 1 346 . 1 1 32 32 ARG HD3 H 1 1.482 0.030 . 2 . . . . 32 ARG HD3 . 10037 1 347 . 1 1 32 32 ARG C C 13 175.318 0.300 . 1 . . . . 32 ARG C . 10037 1 348 . 1 1 32 32 ARG CA C 13 54.205 0.300 . 1 . . . . 32 ARG CA . 10037 1 349 . 1 1 32 32 ARG CB C 13 35.085 0.300 . 1 . . . . 32 ARG CB . 10037 1 350 . 1 1 32 32 ARG CG C 13 27.655 0.300 . 1 . . . . 32 ARG CG . 10037 1 351 . 1 1 32 32 ARG CD C 13 42.069 0.300 . 1 . . . . 32 ARG CD . 10037 1 352 . 1 1 32 32 ARG N N 15 123.999 0.300 . 1 . . . . 32 ARG N . 10037 1 353 . 1 1 33 33 VAL H H 1 8.563 0.030 . 1 . . . . 33 VAL H . 10037 1 354 . 1 1 33 33 VAL HA H 1 4.503 0.030 . 1 . . . . 33 VAL HA . 10037 1 355 . 1 1 33 33 VAL HB H 1 2.054 0.030 . 1 . . . . 33 VAL HB . 10037 1 356 . 1 1 33 33 VAL HG11 H 1 1.097 0.030 . 1 . . . . 33 VAL HG1 . 10037 1 357 . 1 1 33 33 VAL HG12 H 1 1.097 0.030 . 1 . . . . 33 VAL HG1 . 10037 1 358 . 1 1 33 33 VAL HG13 H 1 1.097 0.030 . 1 . . . . 33 VAL HG1 . 10037 1 359 . 1 1 33 33 VAL HG21 H 1 1.236 0.030 . 1 . . . . 33 VAL HG2 . 10037 1 360 . 1 1 33 33 VAL HG22 H 1 1.236 0.030 . 1 . . . . 33 VAL HG2 . 10037 1 361 . 1 1 33 33 VAL HG23 H 1 1.236 0.030 . 1 . . . . 33 VAL HG2 . 10037 1 362 . 1 1 33 33 VAL C C 13 175.246 0.300 . 1 . . . . 33 VAL C . 10037 1 363 . 1 1 33 33 VAL CA C 13 63.872 0.300 . 1 . . . . 33 VAL CA . 10037 1 364 . 1 1 33 33 VAL CB C 13 32.029 0.300 . 1 . . . . 33 VAL CB . 10037 1 365 . 1 1 33 33 VAL CG1 C 13 21.773 0.300 . 2 . . . . 33 VAL CG1 . 10037 1 366 . 1 1 33 33 VAL CG2 C 13 23.315 0.300 . 2 . . . . 33 VAL CG2 . 10037 1 367 . 1 1 33 33 VAL N N 15 121.253 0.300 . 1 . . . . 33 VAL N . 10037 1 368 . 1 1 34 34 ALA H H 1 9.215 0.030 . 1 . . . . 34 ALA H . 10037 1 369 . 1 1 34 34 ALA HA H 1 5.216 0.030 . 1 . . . . 34 ALA HA . 10037 1 370 . 1 1 34 34 ALA HB1 H 1 0.883 0.030 . 1 . . . . 34 ALA HB . 10037 1 371 . 1 1 34 34 ALA HB2 H 1 0.883 0.030 . 1 . . . . 34 ALA HB . 10037 1 372 . 1 1 34 34 ALA HB3 H 1 0.883 0.030 . 1 . . . . 34 ALA HB . 10037 1 373 . 1 1 34 34 ALA C C 13 175.392 0.300 . 1 . . . . 34 ALA C . 10037 1 374 . 1 1 34 34 ALA CA C 13 49.829 0.300 . 1 . . . . 34 ALA CA . 10037 1 375 . 1 1 34 34 ALA CB C 13 24.165 0.300 . 1 . . . . 34 ALA CB . 10037 1 376 . 1 1 34 34 ALA N N 15 131.279 0.300 . 1 . . . . 34 ALA N . 10037 1 377 . 1 1 35 35 THR H H 1 9.196 0.030 . 1 . . . . 35 THR H . 10037 1 378 . 1 1 35 35 THR HA H 1 4.968 0.030 . 1 . . . . 35 THR HA . 10037 1 379 . 1 1 35 35 THR HB H 1 3.771 0.030 . 1 . . . . 35 THR HB . 10037 1 380 . 1 1 35 35 THR HG21 H 1 1.072 0.030 . 1 . . . . 35 THR HG2 . 10037 1 381 . 1 1 35 35 THR HG22 H 1 1.072 0.030 . 1 . . . . 35 THR HG2 . 10037 1 382 . 1 1 35 35 THR HG23 H 1 1.072 0.030 . 1 . . . . 35 THR HG2 . 10037 1 383 . 1 1 35 35 THR C C 13 174.613 0.300 . 1 . . . . 35 THR C . 10037 1 384 . 1 1 35 35 THR CA C 13 61.382 0.300 . 1 . . . . 35 THR CA . 10037 1 385 . 1 1 35 35 THR CB C 13 71.598 0.300 . 1 . . . . 35 THR CB . 10037 1 386 . 1 1 35 35 THR CG2 C 13 22.067 0.300 . 1 . . . . 35 THR CG2 . 10037 1 387 . 1 1 35 35 THR N N 15 114.854 0.300 . 1 . . . . 35 THR N . 10037 1 388 . 1 1 36 36 VAL H H 1 8.836 0.030 . 1 . . . . 36 VAL H . 10037 1 389 . 1 1 36 36 VAL HA H 1 3.770 0.030 . 1 . . . . 36 VAL HA . 10037 1 390 . 1 1 36 36 VAL HB H 1 2.283 0.030 . 1 . . . . 36 VAL HB . 10037 1 391 . 1 1 36 36 VAL HG11 H 1 0.626 0.030 . 1 . . . . 36 VAL HG1 . 10037 1 392 . 1 1 36 36 VAL HG12 H 1 0.626 0.030 . 1 . . . . 36 VAL HG1 . 10037 1 393 . 1 1 36 36 VAL HG13 H 1 0.626 0.030 . 1 . . . . 36 VAL HG1 . 10037 1 394 . 1 1 36 36 VAL HG21 H 1 0.743 0.030 . 1 . . . . 36 VAL HG2 . 10037 1 395 . 1 1 36 36 VAL HG22 H 1 0.743 0.030 . 1 . . . . 36 VAL HG2 . 10037 1 396 . 1 1 36 36 VAL HG23 H 1 0.743 0.030 . 1 . . . . 36 VAL HG2 . 10037 1 397 . 1 1 36 36 VAL C C 13 175.148 0.300 . 1 . . . . 36 VAL C . 10037 1 398 . 1 1 36 36 VAL CA C 13 63.748 0.300 . 1 . . . . 36 VAL CA . 10037 1 399 . 1 1 36 36 VAL CB C 13 31.006 0.300 . 1 . . . . 36 VAL CB . 10037 1 400 . 1 1 36 36 VAL CG1 C 13 23.297 0.300 . 2 . . . . 36 VAL CG1 . 10037 1 401 . 1 1 36 36 VAL CG2 C 13 22.803 0.300 . 2 . . . . 36 VAL CG2 . 10037 1 402 . 1 1 36 36 VAL N N 15 124.485 0.300 . 1 . . . . 36 VAL N . 10037 1 403 . 1 1 37 37 ALA H H 1 9.134 0.030 . 1 . . . . 37 ALA H . 10037 1 404 . 1 1 37 37 ALA HA H 1 4.327 0.030 . 1 . . . . 37 ALA HA . 10037 1 405 . 1 1 37 37 ALA HB1 H 1 1.023 0.030 . 1 . . . . 37 ALA HB . 10037 1 406 . 1 1 37 37 ALA HB2 H 1 1.023 0.030 . 1 . . . . 37 ALA HB . 10037 1 407 . 1 1 37 37 ALA HB3 H 1 1.023 0.030 . 1 . . . . 37 ALA HB . 10037 1 408 . 1 1 37 37 ALA C C 13 176.608 0.300 . 1 . . . . 37 ALA C . 10037 1 409 . 1 1 37 37 ALA CA C 13 52.640 0.300 . 1 . . . . 37 ALA CA . 10037 1 410 . 1 1 37 37 ALA CB C 13 19.912 0.300 . 1 . . . . 37 ALA CB . 10037 1 411 . 1 1 37 37 ALA N N 15 135.227 0.300 . 1 . . . . 37 ALA N . 10037 1 412 . 1 1 38 38 ASP H H 1 7.668 0.030 . 1 . . . . 38 ASP H . 10037 1 413 . 1 1 38 38 ASP HA H 1 4.692 0.030 . 1 . . . . 38 ASP HA . 10037 1 414 . 1 1 38 38 ASP HB2 H 1 2.489 0.030 . 2 . . . . 38 ASP HB2 . 10037 1 415 . 1 1 38 38 ASP HB3 H 1 2.217 0.030 . 2 . . . . 38 ASP HB3 . 10037 1 416 . 1 1 38 38 ASP C C 13 173.677 0.300 . 1 . . . . 38 ASP C . 10037 1 417 . 1 1 38 38 ASP CA C 13 52.569 0.300 . 1 . . . . 38 ASP CA . 10037 1 418 . 1 1 38 38 ASP CB C 13 42.908 0.300 . 1 . . . . 38 ASP CB . 10037 1 419 . 1 1 38 38 ASP N N 15 114.132 0.300 . 1 . . . . 38 ASP N . 10037 1 420 . 1 1 39 39 THR H H 1 9.353 0.030 . 1 . . . . 39 THR H . 10037 1 421 . 1 1 39 39 THR HA H 1 5.221 0.030 . 1 . . . . 39 THR HA . 10037 1 422 . 1 1 39 39 THR HB H 1 4.636 0.030 . 1 . . . . 39 THR HB . 10037 1 423 . 1 1 39 39 THR HG21 H 1 1.154 0.030 . 1 . . . . 39 THR HG2 . 10037 1 424 . 1 1 39 39 THR HG22 H 1 1.154 0.030 . 1 . . . . 39 THR HG2 . 10037 1 425 . 1 1 39 39 THR HG23 H 1 1.154 0.030 . 1 . . . . 39 THR HG2 . 10037 1 426 . 1 1 39 39 THR C C 13 172.837 0.300 . 1 . . . . 39 THR C . 10037 1 427 . 1 1 39 39 THR CA C 13 61.076 0.300 . 1 . . . . 39 THR CA . 10037 1 428 . 1 1 39 39 THR CB C 13 72.615 0.300 . 1 . . . . 39 THR CB . 10037 1 429 . 1 1 39 39 THR CG2 C 13 22.631 0.300 . 1 . . . . 39 THR CG2 . 10037 1 430 . 1 1 39 39 THR N N 15 111.211 0.300 . 1 . . . . 39 THR N . 10037 1 431 . 1 1 40 40 ASP H H 1 8.824 0.030 . 1 . . . . 40 ASP H . 10037 1 432 . 1 1 40 40 ASP HA H 1 4.828 0.030 . 1 . . . . 40 ASP HA . 10037 1 433 . 1 1 40 40 ASP HB2 H 1 2.712 0.030 . 2 . . . . 40 ASP HB2 . 10037 1 434 . 1 1 40 40 ASP HB3 H 1 3.232 0.030 . 2 . . . . 40 ASP HB3 . 10037 1 435 . 1 1 40 40 ASP C C 13 176.133 0.300 . 1 . . . . 40 ASP C . 10037 1 436 . 1 1 40 40 ASP CA C 13 53.733 0.300 . 1 . . . . 40 ASP CA . 10037 1 437 . 1 1 40 40 ASP CB C 13 41.618 0.300 . 1 . . . . 40 ASP CB . 10037 1 438 . 1 1 40 40 ASP N N 15 121.492 0.300 . 1 . . . . 40 ASP N . 10037 1 439 . 1 1 41 41 ASP H H 1 8.422 0.030 . 1 . . . . 41 ASP H . 10037 1 440 . 1 1 41 41 ASP HA H 1 4.364 0.030 . 1 . . . . 41 ASP HA . 10037 1 441 . 1 1 41 41 ASP HB2 H 1 2.486 0.030 . 1 . . . . 41 ASP HB2 . 10037 1 442 . 1 1 41 41 ASP HB3 H 1 2.486 0.030 . 1 . . . . 41 ASP HB3 . 10037 1 443 . 1 1 41 41 ASP C C 13 176.694 0.300 . 1 . . . . 41 ASP C . 10037 1 444 . 1 1 41 41 ASP CA C 13 57.606 0.300 . 1 . . . . 41 ASP CA . 10037 1 445 . 1 1 41 41 ASP CB C 13 40.284 0.300 . 1 . . . . 41 ASP CB . 10037 1 446 . 1 1 41 41 ASP N N 15 116.014 0.300 . 1 . . . . 41 ASP N . 10037 1 447 . 1 1 42 42 HIS H H 1 8.606 0.030 . 1 . . . . 42 HIS H . 10037 1 448 . 1 1 42 42 HIS HA H 1 5.190 0.030 . 1 . . . . 42 HIS HA . 10037 1 449 . 1 1 42 42 HIS HB2 H 1 3.351 0.030 . 2 . . . . 42 HIS HB2 . 10037 1 450 . 1 1 42 42 HIS HB3 H 1 3.188 0.030 . 2 . . . . 42 HIS HB3 . 10037 1 451 . 1 1 42 42 HIS HD2 H 1 7.130 0.030 . 1 . . . . 42 HIS HD2 . 10037 1 452 . 1 1 42 42 HIS C C 13 174.418 0.300 . 1 . . . . 42 HIS C . 10037 1 453 . 1 1 42 42 HIS CA C 13 56.291 0.300 . 1 . . . . 42 HIS CA . 10037 1 454 . 1 1 42 42 HIS CB C 13 32.537 0.300 . 1 . . . . 42 HIS CB . 10037 1 455 . 1 1 42 42 HIS CD2 C 13 121.460 0.300 . 1 . . . . 42 HIS CD2 . 10037 1 456 . 1 1 42 42 HIS N N 15 113.390 0.300 . 1 . . . . 42 HIS N . 10037 1 457 . 1 1 43 43 ARG H H 1 8.700 0.030 . 1 . . . . 43 ARG H . 10037 1 458 . 1 1 43 43 ARG HA H 1 5.252 0.030 . 1 . . . . 43 ARG HA . 10037 1 459 . 1 1 43 43 ARG HB2 H 1 2.152 0.030 . 2 . . . . 43 ARG HB2 . 10037 1 460 . 1 1 43 43 ARG HB3 H 1 1.873 0.030 . 2 . . . . 43 ARG HB3 . 10037 1 461 . 1 1 43 43 ARG HG2 H 1 1.669 0.030 . 2 . . . . 43 ARG HG2 . 10037 1 462 . 1 1 43 43 ARG HG3 H 1 1.380 0.030 . 2 . . . . 43 ARG HG3 . 10037 1 463 . 1 1 43 43 ARG HD2 H 1 3.137 0.030 . 2 . . . . 43 ARG HD2 . 10037 1 464 . 1 1 43 43 ARG HD3 H 1 2.849 0.030 . 2 . . . . 43 ARG HD3 . 10037 1 465 . 1 1 43 43 ARG HE H 1 7.177 0.030 . 1 . . . . 43 ARG HE . 10037 1 466 . 1 1 43 43 ARG C C 13 174.528 0.300 . 1 . . . . 43 ARG C . 10037 1 467 . 1 1 43 43 ARG CA C 13 55.408 0.300 . 1 . . . . 43 ARG CA . 10037 1 468 . 1 1 43 43 ARG CB C 13 36.822 0.300 . 1 . . . . 43 ARG CB . 10037 1 469 . 1 1 43 43 ARG CG C 13 25.732 0.300 . 1 . . . . 43 ARG CG . 10037 1 470 . 1 1 43 43 ARG CD C 13 44.214 0.300 . 1 . . . . 43 ARG CD . 10037 1 471 . 1 1 43 43 ARG N N 15 120.398 0.300 . 1 . . . . 43 ARG N . 10037 1 472 . 1 1 43 43 ARG NE N 15 83.388 0.300 . 1 . . . . 43 ARG NE . 10037 1 473 . 1 1 44 44 VAL H H 1 9.044 0.030 . 1 . . . . 44 VAL H . 10037 1 474 . 1 1 44 44 VAL HA H 1 4.581 0.030 . 1 . . . . 44 VAL HA . 10037 1 475 . 1 1 44 44 VAL HB H 1 1.600 0.030 . 1 . . . . 44 VAL HB . 10037 1 476 . 1 1 44 44 VAL HG11 H 1 0.490 0.030 . 1 . . . . 44 VAL HG1 . 10037 1 477 . 1 1 44 44 VAL HG12 H 1 0.490 0.030 . 1 . . . . 44 VAL HG1 . 10037 1 478 . 1 1 44 44 VAL HG13 H 1 0.490 0.030 . 1 . . . . 44 VAL HG1 . 10037 1 479 . 1 1 44 44 VAL HG21 H 1 0.321 0.030 . 1 . . . . 44 VAL HG2 . 10037 1 480 . 1 1 44 44 VAL HG22 H 1 0.321 0.030 . 1 . . . . 44 VAL HG2 . 10037 1 481 . 1 1 44 44 VAL HG23 H 1 0.321 0.030 . 1 . . . . 44 VAL HG2 . 10037 1 482 . 1 1 44 44 VAL C C 13 171.959 0.300 . 1 . . . . 44 VAL C . 10037 1 483 . 1 1 44 44 VAL CA C 13 59.500 0.300 . 1 . . . . 44 VAL CA . 10037 1 484 . 1 1 44 44 VAL CB C 13 35.251 0.300 . 1 . . . . 44 VAL CB . 10037 1 485 . 1 1 44 44 VAL CG1 C 13 22.558 0.300 . 2 . . . . 44 VAL CG1 . 10037 1 486 . 1 1 44 44 VAL CG2 C 13 19.881 0.300 . 2 . . . . 44 VAL CG2 . 10037 1 487 . 1 1 44 44 VAL N N 15 113.469 0.300 . 1 . . . . 44 VAL N . 10037 1 488 . 1 1 45 45 LYS H H 1 8.065 0.030 . 1 . . . . 45 LYS H . 10037 1 489 . 1 1 45 45 LYS HA H 1 4.066 0.030 . 1 . . . . 45 LYS HA . 10037 1 490 . 1 1 45 45 LYS HB2 H 1 0.649 0.030 . 2 . . . . 45 LYS HB2 . 10037 1 491 . 1 1 45 45 LYS HB3 H 1 -1.404 0.030 . 2 . . . . 45 LYS HB3 . 10037 1 492 . 1 1 45 45 LYS HG2 H 1 -0.404 0.030 . 2 . . . . 45 LYS HG2 . 10037 1 493 . 1 1 45 45 LYS HG3 H 1 0.283 0.030 . 2 . . . . 45 LYS HG3 . 10037 1 494 . 1 1 45 45 LYS HD2 H 1 0.995 0.030 . 1 . . . . 45 LYS HD2 . 10037 1 495 . 1 1 45 45 LYS HD3 H 1 0.995 0.030 . 1 . . . . 45 LYS HD3 . 10037 1 496 . 1 1 45 45 LYS HE2 H 1 2.520 0.030 . 2 . . . . 45 LYS HE2 . 10037 1 497 . 1 1 45 45 LYS HE3 H 1 2.407 0.030 . 2 . . . . 45 LYS HE3 . 10037 1 498 . 1 1 45 45 LYS C C 13 175.392 0.300 . 1 . . . . 45 LYS C . 10037 1 499 . 1 1 45 45 LYS CA C 13 53.874 0.300 . 1 . . . . 45 LYS CA . 10037 1 500 . 1 1 45 45 LYS CB C 13 32.558 0.300 . 1 . . . . 45 LYS CB . 10037 1 501 . 1 1 45 45 LYS CG C 13 25.238 0.300 . 1 . . . . 45 LYS CG . 10037 1 502 . 1 1 45 45 LYS CD C 13 29.522 0.300 . 1 . . . . 45 LYS CD . 10037 1 503 . 1 1 45 45 LYS CE C 13 42.181 0.300 . 1 . . . . 45 LYS CE . 10037 1 504 . 1 1 45 45 LYS N N 15 127.682 0.300 . 1 . . . . 45 LYS N . 10037 1 505 . 1 1 46 46 VAL H H 1 8.513 0.030 . 1 . . . . 46 VAL H . 10037 1 506 . 1 1 46 46 VAL HA H 1 4.041 0.030 . 1 . . . . 46 VAL HA . 10037 1 507 . 1 1 46 46 VAL HB H 1 1.049 0.030 . 1 . . . . 46 VAL HB . 10037 1 508 . 1 1 46 46 VAL HG11 H 1 0.170 0.030 . 1 . . . . 46 VAL HG1 . 10037 1 509 . 1 1 46 46 VAL HG12 H 1 0.170 0.030 . 1 . . . . 46 VAL HG1 . 10037 1 510 . 1 1 46 46 VAL HG13 H 1 0.170 0.030 . 1 . . . . 46 VAL HG1 . 10037 1 511 . 1 1 46 46 VAL HG21 H 1 0.087 0.030 . 1 . . . . 46 VAL HG2 . 10037 1 512 . 1 1 46 46 VAL HG22 H 1 0.087 0.030 . 1 . . . . 46 VAL HG2 . 10037 1 513 . 1 1 46 46 VAL HG23 H 1 0.087 0.030 . 1 . . . . 46 VAL HG2 . 10037 1 514 . 1 1 46 46 VAL C C 13 172.789 0.300 . 1 . . . . 46 VAL C . 10037 1 515 . 1 1 46 46 VAL CA C 13 60.472 0.300 . 1 . . . . 46 VAL CA . 10037 1 516 . 1 1 46 46 VAL CB C 13 33.266 0.300 . 1 . . . . 46 VAL CB . 10037 1 517 . 1 1 46 46 VAL CG1 C 13 21.865 0.300 . 2 . . . . 46 VAL CG1 . 10037 1 518 . 1 1 46 46 VAL CG2 C 13 18.754 0.300 . 2 . . . . 46 VAL CG2 . 10037 1 519 . 1 1 46 46 VAL N N 15 122.978 0.300 . 1 . . . . 46 VAL N . 10037 1 520 . 1 1 47 47 HIS H H 1 8.128 0.030 . 1 . . . . 47 HIS H . 10037 1 521 . 1 1 47 47 HIS HA H 1 4.773 0.030 . 1 . . . . 47 HIS HA . 10037 1 522 . 1 1 47 47 HIS HB2 H 1 2.765 0.030 . 2 . . . . 47 HIS HB2 . 10037 1 523 . 1 1 47 47 HIS HB3 H 1 2.922 0.030 . 2 . . . . 47 HIS HB3 . 10037 1 524 . 1 1 47 47 HIS HD2 H 1 7.026 0.030 . 1 . . . . 47 HIS HD2 . 10037 1 525 . 1 1 47 47 HIS C C 13 173.688 0.300 . 1 . . . . 47 HIS C . 10037 1 526 . 1 1 47 47 HIS CA C 13 53.222 0.300 . 1 . . . . 47 HIS CA . 10037 1 527 . 1 1 47 47 HIS CB C 13 31.423 0.300 . 1 . . . . 47 HIS CB . 10037 1 528 . 1 1 47 47 HIS CD2 C 13 119.387 0.300 . 1 . . . . 47 HIS CD2 . 10037 1 529 . 1 1 47 47 HIS N N 15 119.268 0.300 . 1 . . . . 47 HIS N . 10037 1 530 . 1 1 48 48 PHE H H 1 8.345 0.030 . 1 . . . . 48 PHE H . 10037 1 531 . 1 1 48 48 PHE HA H 1 4.557 0.030 . 1 . . . . 48 PHE HA . 10037 1 532 . 1 1 48 48 PHE HB2 H 1 2.394 0.030 . 2 . . . . 48 PHE HB2 . 10037 1 533 . 1 1 48 48 PHE HB3 H 1 2.094 0.030 . 2 . . . . 48 PHE HB3 . 10037 1 534 . 1 1 48 48 PHE HD1 H 1 6.563 0.030 . 1 . . . . 48 PHE HD1 . 10037 1 535 . 1 1 48 48 PHE HD2 H 1 6.563 0.030 . 1 . . . . 48 PHE HD2 . 10037 1 536 . 1 1 48 48 PHE HE1 H 1 7.011 0.030 . 1 . . . . 48 PHE HE1 . 10037 1 537 . 1 1 48 48 PHE HE2 H 1 7.011 0.030 . 1 . . . . 48 PHE HE2 . 10037 1 538 . 1 1 48 48 PHE HZ H 1 7.171 0.030 . 1 . . . . 48 PHE HZ . 10037 1 539 . 1 1 48 48 PHE C C 13 174.699 0.300 . 1 . . . . 48 PHE C . 10037 1 540 . 1 1 48 48 PHE CA C 13 56.567 0.300 . 1 . . . . 48 PHE CA . 10037 1 541 . 1 1 48 48 PHE CB C 13 37.590 0.300 . 1 . . . . 48 PHE CB . 10037 1 542 . 1 1 48 48 PHE CD1 C 13 130.974 0.300 . 1 . . . . 48 PHE CD1 . 10037 1 543 . 1 1 48 48 PHE CD2 C 13 130.974 0.300 . 1 . . . . 48 PHE CD2 . 10037 1 544 . 1 1 48 48 PHE CE1 C 13 131.052 0.300 . 1 . . . . 48 PHE CE1 . 10037 1 545 . 1 1 48 48 PHE CE2 C 13 131.052 0.300 . 1 . . . . 48 PHE CE2 . 10037 1 546 . 1 1 48 48 PHE CZ C 13 129.441 0.300 . 1 . . . . 48 PHE CZ . 10037 1 547 . 1 1 48 48 PHE N N 15 127.064 0.300 . 1 . . . . 48 PHE N . 10037 1 548 . 1 1 49 49 ASP H H 1 8.055 0.030 . 1 . . . . 49 ASP H . 10037 1 549 . 1 1 49 49 ASP HA H 1 4.295 0.030 . 1 . . . . 49 ASP HA . 10037 1 550 . 1 1 49 49 ASP HB2 H 1 2.642 0.030 . 2 . . . . 49 ASP HB2 . 10037 1 551 . 1 1 49 49 ASP HB3 H 1 2.494 0.030 . 2 . . . . 49 ASP HB3 . 10037 1 552 . 1 1 49 49 ASP C C 13 177.523 0.300 . 1 . . . . 49 ASP C . 10037 1 553 . 1 1 49 49 ASP CA C 13 56.713 0.300 . 1 . . . . 49 ASP CA . 10037 1 554 . 1 1 49 49 ASP CB C 13 39.935 0.300 . 1 . . . . 49 ASP CB . 10037 1 555 . 1 1 49 49 ASP N N 15 125.186 0.300 . 1 . . . . 49 ASP N . 10037 1 556 . 1 1 50 50 GLY HA2 H 1 4.413 0.030 . 2 . . . . 50 GLY HA2 . 10037 1 557 . 1 1 50 50 GLY HA3 H 1 3.740 0.030 . 2 . . . . 50 GLY HA3 . 10037 1 558 . 1 1 50 50 GLY C C 13 174.398 0.300 . 1 . . . . 50 GLY C . 10037 1 559 . 1 1 50 50 GLY CA C 13 45.428 0.300 . 1 . . . . 50 GLY CA . 10037 1 560 . 1 1 51 51 TRP H H 1 8.538 0.030 . 1 . . . . 51 TRP H . 10037 1 561 . 1 1 51 51 TRP HA H 1 4.775 0.030 . 1 . . . . 51 TRP HA . 10037 1 562 . 1 1 51 51 TRP HB2 H 1 3.399 0.030 . 2 . . . . 51 TRP HB2 . 10037 1 563 . 1 1 51 51 TRP HB3 H 1 3.460 0.030 . 2 . . . . 51 TRP HB3 . 10037 1 564 . 1 1 51 51 TRP HD1 H 1 7.017 0.030 . 1 . . . . 51 TRP HD1 . 10037 1 565 . 1 1 51 51 TRP HE1 H 1 9.999 0.030 . 1 . . . . 51 TRP HE1 . 10037 1 566 . 1 1 51 51 TRP HE3 H 1 7.217 0.030 . 1 . . . . 51 TRP HE3 . 10037 1 567 . 1 1 51 51 TRP HZ2 H 1 7.180 0.030 . 1 . . . . 51 TRP HZ2 . 10037 1 568 . 1 1 51 51 TRP HZ3 H 1 6.733 0.030 . 1 . . . . 51 TRP HZ3 . 10037 1 569 . 1 1 51 51 TRP HH2 H 1 7.040 0.030 . 1 . . . . 51 TRP HH2 . 10037 1 570 . 1 1 51 51 TRP C C 13 176.547 0.300 . 1 . . . . 51 TRP C . 10037 1 571 . 1 1 51 51 TRP CA C 13 56.304 0.300 . 1 . . . . 51 TRP CA . 10037 1 572 . 1 1 51 51 TRP CB C 13 30.011 0.300 . 1 . . . . 51 TRP CB . 10037 1 573 . 1 1 51 51 TRP CD1 C 13 126.610 0.300 . 1 . . . . 51 TRP CD1 . 10037 1 574 . 1 1 51 51 TRP CE3 C 13 120.922 0.300 . 1 . . . . 51 TRP CE3 . 10037 1 575 . 1 1 51 51 TRP CZ2 C 13 113.953 0.300 . 1 . . . . 51 TRP CZ2 . 10037 1 576 . 1 1 51 51 TRP CZ3 C 13 121.323 0.300 . 1 . . . . 51 TRP CZ3 . 10037 1 577 . 1 1 51 51 TRP CH2 C 13 124.251 0.300 . 1 . . . . 51 TRP CH2 . 10037 1 578 . 1 1 51 51 TRP N N 15 121.776 0.300 . 1 . . . . 51 TRP N . 10037 1 579 . 1 1 51 51 TRP NE1 N 15 128.950 0.300 . 1 . . . . 51 TRP NE1 . 10037 1 580 . 1 1 52 52 ASN H H 1 8.930 0.030 . 1 . . . . 52 ASN H . 10037 1 581 . 1 1 52 52 ASN HA H 1 4.785 0.030 . 1 . . . . 52 ASN HA . 10037 1 582 . 1 1 52 52 ASN HB2 H 1 3.212 0.030 . 2 . . . . 52 ASN HB2 . 10037 1 583 . 1 1 52 52 ASN HB3 H 1 3.101 0.030 . 2 . . . . 52 ASN HB3 . 10037 1 584 . 1 1 52 52 ASN HD21 H 1 7.157 0.030 . 2 . . . . 52 ASN HD21 . 10037 1 585 . 1 1 52 52 ASN HD22 H 1 7.891 0.030 . 2 . . . . 52 ASN HD22 . 10037 1 586 . 1 1 52 52 ASN C C 13 176.552 0.300 . 1 . . . . 52 ASN C . 10037 1 587 . 1 1 52 52 ASN CA C 13 54.421 0.300 . 1 . . . . 52 ASN CA . 10037 1 588 . 1 1 52 52 ASN CB C 13 39.733 0.300 . 1 . . . . 52 ASN CB . 10037 1 589 . 1 1 52 52 ASN N N 15 120.105 0.300 . 1 . . . . 52 ASN N . 10037 1 590 . 1 1 52 52 ASN ND2 N 15 114.143 0.300 . 1 . . . . 52 ASN ND2 . 10037 1 591 . 1 1 53 53 ASN HA H 1 4.890 0.030 . 1 . . . . 53 ASN HA . 10037 1 592 . 1 1 53 53 ASN HB2 H 1 2.878 0.030 . 1 . . . . 53 ASN HB2 . 10037 1 593 . 1 1 53 53 ASN HB3 H 1 2.878 0.030 . 1 . . . . 53 ASN HB3 . 10037 1 594 . 1 1 53 53 ASN HD21 H 1 6.785 0.030 . 2 . . . . 53 ASN HD21 . 10037 1 595 . 1 1 53 53 ASN HD22 H 1 7.748 0.030 . 2 . . . . 53 ASN HD22 . 10037 1 596 . 1 1 53 53 ASN C C 13 177.371 0.300 . 1 . . . . 53 ASN C . 10037 1 597 . 1 1 53 53 ASN CA C 13 55.310 0.300 . 1 . . . . 53 ASN CA . 10037 1 598 . 1 1 53 53 ASN CB C 13 38.082 0.300 . 1 . . . . 53 ASN CB . 10037 1 599 . 1 1 53 53 ASN ND2 N 15 111.655 0.300 . 1 . . . . 53 ASN ND2 . 10037 1 600 . 1 1 54 54 CYS H H 1 9.086 0.030 . 1 . . . . 54 CYS H . 10037 1 601 . 1 1 54 54 CYS HA H 1 4.478 0.030 . 1 . . . . 54 CYS HA . 10037 1 602 . 1 1 54 54 CYS HB2 H 1 3.062 0.030 . 2 . . . . 54 CYS HB2 . 10037 1 603 . 1 1 54 54 CYS HB3 H 1 2.730 0.030 . 2 . . . . 54 CYS HB3 . 10037 1 604 . 1 1 54 54 CYS C C 13 175.318 0.300 . 1 . . . . 54 CYS C . 10037 1 605 . 1 1 54 54 CYS CA C 13 60.073 0.300 . 1 . . . . 54 CYS CA . 10037 1 606 . 1 1 54 54 CYS CB C 13 26.680 0.300 . 1 . . . . 54 CYS CB . 10037 1 607 . 1 1 54 54 CYS N N 15 119.380 0.300 . 1 . . . . 54 CYS N . 10037 1 608 . 1 1 55 55 TYR H H 1 8.005 0.030 . 1 . . . . 55 TYR H . 10037 1 609 . 1 1 55 55 TYR HA H 1 4.687 0.030 . 1 . . . . 55 TYR HA . 10037 1 610 . 1 1 55 55 TYR HB2 H 1 3.501 0.030 . 2 . . . . 55 TYR HB2 . 10037 1 611 . 1 1 55 55 TYR HB3 H 1 3.338 0.030 . 2 . . . . 55 TYR HB3 . 10037 1 612 . 1 1 55 55 TYR HD1 H 1 7.540 0.030 . 1 . . . . 55 TYR HD1 . 10037 1 613 . 1 1 55 55 TYR HD2 H 1 7.540 0.030 . 1 . . . . 55 TYR HD2 . 10037 1 614 . 1 1 55 55 TYR HE1 H 1 6.973 0.030 . 1 . . . . 55 TYR HE1 . 10037 1 615 . 1 1 55 55 TYR HE2 H 1 6.973 0.030 . 1 . . . . 55 TYR HE2 . 10037 1 616 . 1 1 55 55 TYR C C 13 175.270 0.300 . 1 . . . . 55 TYR C . 10037 1 617 . 1 1 55 55 TYR CA C 13 59.122 0.300 . 1 . . . . 55 TYR CA . 10037 1 618 . 1 1 55 55 TYR CB C 13 38.387 0.300 . 1 . . . . 55 TYR CB . 10037 1 619 . 1 1 55 55 TYR CD1 C 13 133.776 0.300 . 1 . . . . 55 TYR CD1 . 10037 1 620 . 1 1 55 55 TYR CD2 C 13 133.776 0.300 . 1 . . . . 55 TYR CD2 . 10037 1 621 . 1 1 55 55 TYR CE1 C 13 118.642 0.300 . 1 . . . . 55 TYR CE1 . 10037 1 622 . 1 1 55 55 TYR CE2 C 13 118.642 0.300 . 1 . . . . 55 TYR CE2 . 10037 1 623 . 1 1 55 55 TYR N N 15 120.440 0.300 . 1 . . . . 55 TYR N . 10037 1 624 . 1 1 56 56 ASP H H 1 7.817 0.030 . 1 . . . . 56 ASP H . 10037 1 625 . 1 1 56 56 ASP HA H 1 4.773 0.030 . 1 . . . . 56 ASP HA . 10037 1 626 . 1 1 56 56 ASP HB2 H 1 2.675 0.030 . 2 . . . . 56 ASP HB2 . 10037 1 627 . 1 1 56 56 ASP HB3 H 1 2.272 0.030 . 2 . . . . 56 ASP HB3 . 10037 1 628 . 1 1 56 56 ASP C C 13 176.620 0.300 . 1 . . . . 56 ASP C . 10037 1 629 . 1 1 56 56 ASP CA C 13 55.284 0.300 . 1 . . . . 56 ASP CA . 10037 1 630 . 1 1 56 56 ASP CB C 13 41.046 0.300 . 1 . . . . 56 ASP CB . 10037 1 631 . 1 1 56 56 ASP N N 15 122.221 0.300 . 1 . . . . 56 ASP N . 10037 1 632 . 1 1 57 57 TYR H H 1 7.540 0.030 . 1 . . . . 57 TYR H . 10037 1 633 . 1 1 57 57 TYR HA H 1 4.956 0.030 . 1 . . . . 57 TYR HA . 10037 1 634 . 1 1 57 57 TYR HB2 H 1 3.171 0.030 . 1 . . . . 57 TYR HB2 . 10037 1 635 . 1 1 57 57 TYR HB3 H 1 3.171 0.030 . 1 . . . . 57 TYR HB3 . 10037 1 636 . 1 1 57 57 TYR HD1 H 1 7.155 0.030 . 1 . . . . 57 TYR HD1 . 10037 1 637 . 1 1 57 57 TYR HD2 H 1 7.155 0.030 . 1 . . . . 57 TYR HD2 . 10037 1 638 . 1 1 57 57 TYR HE1 H 1 6.689 0.030 . 1 . . . . 57 TYR HE1 . 10037 1 639 . 1 1 57 57 TYR HE2 H 1 6.689 0.030 . 1 . . . . 57 TYR HE2 . 10037 1 640 . 1 1 57 57 TYR C C 13 172.655 0.300 . 1 . . . . 57 TYR C . 10037 1 641 . 1 1 57 57 TYR CA C 13 56.270 0.300 . 1 . . . . 57 TYR CA . 10037 1 642 . 1 1 57 57 TYR CB C 13 40.156 0.300 . 1 . . . . 57 TYR CB . 10037 1 643 . 1 1 57 57 TYR CD1 C 13 134.237 0.300 . 1 . . . . 57 TYR CD1 . 10037 1 644 . 1 1 57 57 TYR CD2 C 13 134.237 0.300 . 1 . . . . 57 TYR CD2 . 10037 1 645 . 1 1 57 57 TYR CE1 C 13 117.792 0.300 . 1 . . . . 57 TYR CE1 . 10037 1 646 . 1 1 57 57 TYR CE2 C 13 117.792 0.300 . 1 . . . . 57 TYR CE2 . 10037 1 647 . 1 1 57 57 TYR N N 15 115.192 0.300 . 1 . . . . 57 TYR N . 10037 1 648 . 1 1 58 58 TRP H H 1 8.741 0.030 . 1 . . . . 58 TRP H . 10037 1 649 . 1 1 58 58 TRP HA H 1 5.177 0.030 . 1 . . . . 58 TRP HA . 10037 1 650 . 1 1 58 58 TRP HB2 H 1 3.086 0.030 . 2 . . . . 58 TRP HB2 . 10037 1 651 . 1 1 58 58 TRP HB3 H 1 2.862 0.030 . 2 . . . . 58 TRP HB3 . 10037 1 652 . 1 1 58 58 TRP HD1 H 1 7.354 0.030 . 1 . . . . 58 TRP HD1 . 10037 1 653 . 1 1 58 58 TRP HE1 H 1 10.179 0.030 . 1 . . . . 58 TRP HE1 . 10037 1 654 . 1 1 58 58 TRP HE3 H 1 7.108 0.030 . 1 . . . . 58 TRP HE3 . 10037 1 655 . 1 1 58 58 TRP HZ2 H 1 7.424 0.030 . 1 . . . . 58 TRP HZ2 . 10037 1 656 . 1 1 58 58 TRP HZ3 H 1 6.495 0.030 . 1 . . . . 58 TRP HZ3 . 10037 1 657 . 1 1 58 58 TRP HH2 H 1 6.750 0.030 . 1 . . . . 58 TRP HH2 . 10037 1 658 . 1 1 58 58 TRP C C 13 176.365 0.300 . 1 . . . . 58 TRP C . 10037 1 659 . 1 1 58 58 TRP CA C 13 56.872 0.300 . 1 . . . . 58 TRP CA . 10037 1 660 . 1 1 58 58 TRP CB C 13 31.628 0.300 . 1 . . . . 58 TRP CB . 10037 1 661 . 1 1 58 58 TRP CD1 C 13 127.669 0.300 . 1 . . . . 58 TRP CD1 . 10037 1 662 . 1 1 58 58 TRP CE3 C 13 120.894 0.300 . 1 . . . . 58 TRP CE3 . 10037 1 663 . 1 1 58 58 TRP CZ2 C 13 114.444 0.300 . 1 . . . . 58 TRP CZ2 . 10037 1 664 . 1 1 58 58 TRP CZ3 C 13 120.948 0.300 . 1 . . . . 58 TRP CZ3 . 10037 1 665 . 1 1 58 58 TRP CH2 C 13 123.598 0.300 . 1 . . . . 58 TRP CH2 . 10037 1 666 . 1 1 58 58 TRP N N 15 120.443 0.300 . 1 . . . . 58 TRP N . 10037 1 667 . 1 1 58 58 TRP NE1 N 15 129.007 0.300 . 1 . . . . 58 TRP NE1 . 10037 1 668 . 1 1 59 59 ILE H H 1 9.585 0.030 . 1 . . . . 59 ILE H . 10037 1 669 . 1 1 59 59 ILE HA H 1 4.619 0.030 . 1 . . . . 59 ILE HA . 10037 1 670 . 1 1 59 59 ILE HB H 1 1.702 0.030 . 1 . . . . 59 ILE HB . 10037 1 671 . 1 1 59 59 ILE HG12 H 1 1.248 0.030 . 2 . . . . 59 ILE HG12 . 10037 1 672 . 1 1 59 59 ILE HG13 H 1 1.595 0.030 . 2 . . . . 59 ILE HG13 . 10037 1 673 . 1 1 59 59 ILE HG21 H 1 1.006 0.030 . 1 . . . . 59 ILE HG2 . 10037 1 674 . 1 1 59 59 ILE HG22 H 1 1.006 0.030 . 1 . . . . 59 ILE HG2 . 10037 1 675 . 1 1 59 59 ILE HG23 H 1 1.006 0.030 . 1 . . . . 59 ILE HG2 . 10037 1 676 . 1 1 59 59 ILE HD11 H 1 0.846 0.030 . 1 . . . . 59 ILE HD1 . 10037 1 677 . 1 1 59 59 ILE HD12 H 1 0.846 0.030 . 1 . . . . 59 ILE HD1 . 10037 1 678 . 1 1 59 59 ILE HD13 H 1 0.846 0.030 . 1 . . . . 59 ILE HD1 . 10037 1 679 . 1 1 59 59 ILE C C 13 173.923 0.300 . 1 . . . . 59 ILE C . 10037 1 680 . 1 1 59 59 ILE CA C 13 60.134 0.300 . 1 . . . . 59 ILE CA . 10037 1 681 . 1 1 59 59 ILE CB C 13 42.834 0.300 . 1 . . . . 59 ILE CB . 10037 1 682 . 1 1 59 59 ILE CG1 C 13 27.656 0.300 . 1 . . . . 59 ILE CG1 . 10037 1 683 . 1 1 59 59 ILE CG2 C 13 17.311 0.300 . 1 . . . . 59 ILE CG2 . 10037 1 684 . 1 1 59 59 ILE CD1 C 13 15.216 0.300 . 1 . . . . 59 ILE CD1 . 10037 1 685 . 1 1 59 59 ILE N N 15 121.671 0.300 . 1 . . . . 59 ILE N . 10037 1 686 . 1 1 60 60 ASP H H 1 8.484 0.030 . 1 . . . . 60 ASP H . 10037 1 687 . 1 1 60 60 ASP HA H 1 4.628 0.030 . 1 . . . . 60 ASP HA . 10037 1 688 . 1 1 60 60 ASP HB2 H 1 2.924 0.030 . 2 . . . . 60 ASP HB2 . 10037 1 689 . 1 1 60 60 ASP HB3 H 1 2.618 0.030 . 2 . . . . 60 ASP HB3 . 10037 1 690 . 1 1 60 60 ASP C C 13 177.119 0.300 . 1 . . . . 60 ASP C . 10037 1 691 . 1 1 60 60 ASP CA C 13 55.902 0.300 . 1 . . . . 60 ASP CA . 10037 1 692 . 1 1 60 60 ASP CB C 13 41.226 0.300 . 1 . . . . 60 ASP CB . 10037 1 693 . 1 1 60 60 ASP N N 15 126.256 0.300 . 1 . . . . 60 ASP N . 10037 1 694 . 1 1 61 61 ALA H H 1 8.838 0.030 . 1 . . . . 61 ALA H . 10037 1 695 . 1 1 61 61 ALA HA H 1 3.773 0.030 . 1 . . . . 61 ALA HA . 10037 1 696 . 1 1 61 61 ALA HB1 H 1 1.108 0.030 . 1 . . . . 61 ALA HB . 10037 1 697 . 1 1 61 61 ALA HB2 H 1 1.108 0.030 . 1 . . . . 61 ALA HB . 10037 1 698 . 1 1 61 61 ALA HB3 H 1 1.108 0.030 . 1 . . . . 61 ALA HB . 10037 1 699 . 1 1 61 61 ALA C C 13 176.779 0.300 . 1 . . . . 61 ALA C . 10037 1 700 . 1 1 61 61 ALA CA C 13 54.350 0.300 . 1 . . . . 61 ALA CA . 10037 1 701 . 1 1 61 61 ALA CB C 13 18.417 0.300 . 1 . . . . 61 ALA CB . 10037 1 702 . 1 1 61 61 ALA N N 15 123.303 0.300 . 1 . . . . 61 ALA N . 10037 1 703 . 1 1 62 62 ASP H H 1 8.228 0.030 . 1 . . . . 62 ASP H . 10037 1 704 . 1 1 62 62 ASP HA H 1 4.676 0.030 . 1 . . . . 62 ASP HA . 10037 1 705 . 1 1 62 62 ASP HB2 H 1 2.953 0.030 . 2 . . . . 62 ASP HB2 . 10037 1 706 . 1 1 62 62 ASP HB3 H 1 2.655 0.030 . 2 . . . . 62 ASP HB3 . 10037 1 707 . 1 1 62 62 ASP C C 13 176.328 0.300 . 1 . . . . 62 ASP C . 10037 1 708 . 1 1 62 62 ASP CA C 13 52.710 0.300 . 1 . . . . 62 ASP CA . 10037 1 709 . 1 1 62 62 ASP CB C 13 39.838 0.300 . 1 . . . . 62 ASP CB . 10037 1 710 . 1 1 62 62 ASP N N 15 114.676 0.300 . 1 . . . . 62 ASP N . 10037 1 711 . 1 1 63 63 SER H H 1 7.596 0.030 . 1 . . . . 63 SER H . 10037 1 712 . 1 1 63 63 SER HA H 1 4.639 0.030 . 1 . . . . 63 SER HA . 10037 1 713 . 1 1 63 63 SER HB2 H 1 3.682 0.030 . 2 . . . . 63 SER HB2 . 10037 1 714 . 1 1 63 63 SER HB3 H 1 4.357 0.030 . 2 . . . . 63 SER HB3 . 10037 1 715 . 1 1 63 63 SER C C 13 175.702 0.300 . 1 . . . . 63 SER C . 10037 1 716 . 1 1 63 63 SER CA C 13 56.290 0.300 . 1 . . . . 63 SER CA . 10037 1 717 . 1 1 63 63 SER CB C 13 65.128 0.300 . 1 . . . . 63 SER CB . 10037 1 718 . 1 1 63 63 SER N N 15 115.322 0.300 . 1 . . . . 63 SER N . 10037 1 719 . 1 1 64 64 PRO HA H 1 4.537 0.030 . 1 . . . . 64 PRO HA . 10037 1 720 . 1 1 64 64 PRO HB2 H 1 2.055 0.030 . 2 . . . . 64 PRO HB2 . 10037 1 721 . 1 1 64 64 PRO HB3 H 1 2.306 0.030 . 2 . . . . 64 PRO HB3 . 10037 1 722 . 1 1 64 64 PRO HG2 H 1 1.921 0.030 . 2 . . . . 64 PRO HG2 . 10037 1 723 . 1 1 64 64 PRO HG3 H 1 2.055 0.030 . 2 . . . . 64 PRO HG3 . 10037 1 724 . 1 1 64 64 PRO HD2 H 1 3.898 0.030 . 1 . . . . 64 PRO HD2 . 10037 1 725 . 1 1 64 64 PRO HD3 H 1 3.898 0.030 . 1 . . . . 64 PRO HD3 . 10037 1 726 . 1 1 64 64 PRO C C 13 175.665 0.300 . 1 . . . . 64 PRO C . 10037 1 727 . 1 1 64 64 PRO CA C 13 63.448 0.300 . 1 . . . . 64 PRO CA . 10037 1 728 . 1 1 64 64 PRO CB C 13 31.831 0.300 . 1 . . . . 64 PRO CB . 10037 1 729 . 1 1 64 64 PRO CG C 13 26.905 0.300 . 1 . . . . 64 PRO CG . 10037 1 730 . 1 1 64 64 PRO CD C 13 51.373 0.300 . 1 . . . . 64 PRO CD . 10037 1 731 . 1 1 65 65 ASP H H 1 8.057 0.030 . 1 . . . . 65 ASP H . 10037 1 732 . 1 1 65 65 ASP HA H 1 4.253 0.030 . 1 . . . . 65 ASP HA . 10037 1 733 . 1 1 65 65 ASP HB2 H 1 3.013 0.030 . 2 . . . . 65 ASP HB2 . 10037 1 734 . 1 1 65 65 ASP HB3 H 1 2.486 0.030 . 2 . . . . 65 ASP HB3 . 10037 1 735 . 1 1 65 65 ASP C C 13 174.467 0.300 . 1 . . . . 65 ASP C . 10037 1 736 . 1 1 65 65 ASP CA C 13 54.985 0.300 . 1 . . . . 65 ASP CA . 10037 1 737 . 1 1 65 65 ASP CB C 13 41.139 0.300 . 1 . . . . 65 ASP CB . 10037 1 738 . 1 1 65 65 ASP N N 15 117.577 0.300 . 1 . . . . 65 ASP N . 10037 1 739 . 1 1 66 66 ILE H H 1 6.670 0.030 . 1 . . . . 66 ILE H . 10037 1 740 . 1 1 66 66 ILE HA H 1 3.960 0.030 . 1 . . . . 66 ILE HA . 10037 1 741 . 1 1 66 66 ILE HB H 1 1.612 0.030 . 1 . . . . 66 ILE HB . 10037 1 742 . 1 1 66 66 ILE HG12 H 1 0.561 0.030 . 2 . . . . 66 ILE HG12 . 10037 1 743 . 1 1 66 66 ILE HG13 H 1 1.387 0.030 . 2 . . . . 66 ILE HG13 . 10037 1 744 . 1 1 66 66 ILE HG21 H 1 0.634 0.030 . 1 . . . . 66 ILE HG2 . 10037 1 745 . 1 1 66 66 ILE HG22 H 1 0.634 0.030 . 1 . . . . 66 ILE HG2 . 10037 1 746 . 1 1 66 66 ILE HG23 H 1 0.634 0.030 . 1 . . . . 66 ILE HG2 . 10037 1 747 . 1 1 66 66 ILE HD11 H 1 0.534 0.030 . 1 . . . . 66 ILE HD1 . 10037 1 748 . 1 1 66 66 ILE HD12 H 1 0.534 0.030 . 1 . . . . 66 ILE HD1 . 10037 1 749 . 1 1 66 66 ILE HD13 H 1 0.534 0.030 . 1 . . . . 66 ILE HD1 . 10037 1 750 . 1 1 66 66 ILE C C 13 173.847 0.300 . 1 . . . . 66 ILE C . 10037 1 751 . 1 1 66 66 ILE CA C 13 61.259 0.300 . 1 . . . . 66 ILE CA . 10037 1 752 . 1 1 66 66 ILE CB C 13 39.366 0.300 . 1 . . . . 66 ILE CB . 10037 1 753 . 1 1 66 66 ILE CG1 C 13 27.486 0.300 . 1 . . . . 66 ILE CG1 . 10037 1 754 . 1 1 66 66 ILE CG2 C 13 19.450 0.300 . 1 . . . . 66 ILE CG2 . 10037 1 755 . 1 1 66 66 ILE CD1 C 13 13.713 0.300 . 1 . . . . 66 ILE CD1 . 10037 1 756 . 1 1 66 66 ILE N N 15 115.063 0.300 . 1 . . . . 66 ILE N . 10037 1 757 . 1 1 67 67 HIS H H 1 8.511 0.030 . 1 . . . . 67 HIS H . 10037 1 758 . 1 1 67 67 HIS HA H 1 4.953 0.030 . 1 . . . . 67 HIS HA . 10037 1 759 . 1 1 67 67 HIS HB2 H 1 2.886 0.030 . 2 . . . . 67 HIS HB2 . 10037 1 760 . 1 1 67 67 HIS HB3 H 1 2.699 0.030 . 2 . . . . 67 HIS HB3 . 10037 1 761 . 1 1 67 67 HIS HD2 H 1 5.842 0.030 . 1 . . . . 67 HIS HD2 . 10037 1 762 . 1 1 67 67 HIS HE1 H 1 7.865 0.030 . 1 . . . . 67 HIS HE1 . 10037 1 763 . 1 1 67 67 HIS C C 13 170.821 0.300 . 1 . . . . 67 HIS C . 10037 1 764 . 1 1 67 67 HIS CA C 13 51.821 0.300 . 1 . . . . 67 HIS CA . 10037 1 765 . 1 1 67 67 HIS CB C 13 29.575 0.300 . 1 . . . . 67 HIS CB . 10037 1 766 . 1 1 67 67 HIS CD2 C 13 118.297 0.300 . 1 . . . . 67 HIS CD2 . 10037 1 767 . 1 1 67 67 HIS CE1 C 13 136.364 0.300 . 1 . . . . 67 HIS CE1 . 10037 1 768 . 1 1 67 67 HIS N N 15 123.419 0.300 . 1 . . . . 67 HIS N . 10037 1 769 . 1 1 68 68 PRO HA H 1 4.864 0.030 . 1 . . . . 68 PRO HA . 10037 1 770 . 1 1 68 68 PRO HB2 H 1 2.440 0.030 . 2 . . . . 68 PRO HB2 . 10037 1 771 . 1 1 68 68 PRO HB3 H 1 2.064 0.030 . 2 . . . . 68 PRO HB3 . 10037 1 772 . 1 1 68 68 PRO HG2 H 1 2.196 0.030 . 1 . . . . 68 PRO HG2 . 10037 1 773 . 1 1 68 68 PRO HG3 H 1 2.196 0.030 . 1 . . . . 68 PRO HG3 . 10037 1 774 . 1 1 68 68 PRO HD2 H 1 3.766 0.030 . 2 . . . . 68 PRO HD2 . 10037 1 775 . 1 1 68 68 PRO HD3 H 1 3.912 0.030 . 2 . . . . 68 PRO HD3 . 10037 1 776 . 1 1 68 68 PRO C C 13 176.250 0.300 . 1 . . . . 68 PRO C . 10037 1 777 . 1 1 68 68 PRO CA C 13 61.932 0.300 . 1 . . . . 68 PRO CA . 10037 1 778 . 1 1 68 68 PRO CB C 13 32.161 0.300 . 1 . . . . 68 PRO CB . 10037 1 779 . 1 1 68 68 PRO CG C 13 27.628 0.300 . 1 . . . . 68 PRO CG . 10037 1 780 . 1 1 68 68 PRO CD C 13 50.532 0.300 . 1 . . . . 68 PRO CD . 10037 1 781 . 1 1 69 69 VAL H H 1 8.358 0.030 . 1 . . . . 69 VAL H . 10037 1 782 . 1 1 69 69 VAL HA H 1 3.944 0.030 . 1 . . . . 69 VAL HA . 10037 1 783 . 1 1 69 69 VAL HB H 1 2.021 0.030 . 1 . . . . 69 VAL HB . 10037 1 784 . 1 1 69 69 VAL HG11 H 1 1.043 0.030 . 1 . . . . 69 VAL HG1 . 10037 1 785 . 1 1 69 69 VAL HG12 H 1 1.043 0.030 . 1 . . . . 69 VAL HG1 . 10037 1 786 . 1 1 69 69 VAL HG13 H 1 1.043 0.030 . 1 . . . . 69 VAL HG1 . 10037 1 787 . 1 1 69 69 VAL HG21 H 1 1.079 0.030 . 1 . . . . 69 VAL HG2 . 10037 1 788 . 1 1 69 69 VAL HG22 H 1 1.079 0.030 . 1 . . . . 69 VAL HG2 . 10037 1 789 . 1 1 69 69 VAL HG23 H 1 1.079 0.030 . 1 . . . . 69 VAL HG2 . 10037 1 790 . 1 1 69 69 VAL C C 13 177.921 0.300 . 1 . . . . 69 VAL C . 10037 1 791 . 1 1 69 69 VAL CA C 13 64.595 0.300 . 1 . . . . 69 VAL CA . 10037 1 792 . 1 1 69 69 VAL CB C 13 31.750 0.300 . 1 . . . . 69 VAL CB . 10037 1 793 . 1 1 69 69 VAL CG1 C 13 21.361 0.300 . 2 . . . . 69 VAL CG1 . 10037 1 794 . 1 1 69 69 VAL CG2 C 13 22.079 0.300 . 2 . . . . 69 VAL CG2 . 10037 1 795 . 1 1 69 69 VAL N N 15 117.535 0.300 . 1 . . . . 69 VAL N . 10037 1 796 . 1 1 70 70 GLY H H 1 9.442 0.030 . 1 . . . . 70 GLY H . 10037 1 797 . 1 1 70 70 GLY HA2 H 1 4.505 0.030 . 2 . . . . 70 GLY HA2 . 10037 1 798 . 1 1 70 70 GLY HA3 H 1 3.895 0.030 . 2 . . . . 70 GLY HA3 . 10037 1 799 . 1 1 70 70 GLY C C 13 174.959 0.300 . 1 . . . . 70 GLY C . 10037 1 800 . 1 1 70 70 GLY CA C 13 45.033 0.300 . 1 . . . . 70 GLY CA . 10037 1 801 . 1 1 70 70 GLY N N 15 117.931 0.300 . 1 . . . . 70 GLY N . 10037 1 802 . 1 1 71 71 TRP H H 1 8.299 0.030 . 1 . . . . 71 TRP H . 10037 1 803 . 1 1 71 71 TRP HA H 1 4.127 0.030 . 1 . . . . 71 TRP HA . 10037 1 804 . 1 1 71 71 TRP HB2 H 1 3.436 0.030 . 2 . . . . 71 TRP HB2 . 10037 1 805 . 1 1 71 71 TRP HB3 H 1 3.542 0.030 . 2 . . . . 71 TRP HB3 . 10037 1 806 . 1 1 71 71 TRP HD1 H 1 7.327 0.030 . 1 . . . . 71 TRP HD1 . 10037 1 807 . 1 1 71 71 TRP HE1 H 1 10.081 0.030 . 1 . . . . 71 TRP HE1 . 10037 1 808 . 1 1 71 71 TRP HE3 H 1 7.445 0.030 . 1 . . . . 71 TRP HE3 . 10037 1 809 . 1 1 71 71 TRP HZ2 H 1 7.178 0.030 . 1 . . . . 71 TRP HZ2 . 10037 1 810 . 1 1 71 71 TRP HZ3 H 1 6.456 0.030 . 1 . . . . 71 TRP HZ3 . 10037 1 811 . 1 1 71 71 TRP HH2 H 1 6.650 0.030 . 1 . . . . 71 TRP HH2 . 10037 1 812 . 1 1 71 71 TRP C C 13 179.527 0.300 . 1 . . . . 71 TRP C . 10037 1 813 . 1 1 71 71 TRP CA C 13 62.885 0.300 . 1 . . . . 71 TRP CA . 10037 1 814 . 1 1 71 71 TRP CB C 13 29.871 0.300 . 1 . . . . 71 TRP CB . 10037 1 815 . 1 1 71 71 TRP CD1 C 13 126.470 0.300 . 1 . . . . 71 TRP CD1 . 10037 1 816 . 1 1 71 71 TRP CE3 C 13 120.499 0.300 . 1 . . . . 71 TRP CE3 . 10037 1 817 . 1 1 71 71 TRP CZ2 C 13 113.977 0.300 . 1 . . . . 71 TRP CZ2 . 10037 1 818 . 1 1 71 71 TRP CZ3 C 13 121.571 0.300 . 1 . . . . 71 TRP CZ3 . 10037 1 819 . 1 1 71 71 TRP CH2 C 13 123.880 0.300 . 1 . . . . 71 TRP CH2 . 10037 1 820 . 1 1 71 71 TRP N N 15 126.449 0.300 . 1 . . . . 71 TRP N . 10037 1 821 . 1 1 71 71 TRP NE1 N 15 129.768 0.300 . 1 . . . . 71 TRP NE1 . 10037 1 822 . 1 1 72 72 CYS H H 1 11.329 0.030 . 1 . . . . 72 CYS H . 10037 1 823 . 1 1 72 72 CYS HA H 1 3.696 0.030 . 1 . . . . 72 CYS HA . 10037 1 824 . 1 1 72 72 CYS HB2 H 1 3.063 0.030 . 2 . . . . 72 CYS HB2 . 10037 1 825 . 1 1 72 72 CYS HB3 H 1 3.217 0.030 . 2 . . . . 72 CYS HB3 . 10037 1 826 . 1 1 72 72 CYS C C 13 177.775 0.300 . 1 . . . . 72 CYS C . 10037 1 827 . 1 1 72 72 CYS CA C 13 66.084 0.300 . 1 . . . . 72 CYS CA . 10037 1 828 . 1 1 72 72 CYS CB C 13 26.169 0.300 . 1 . . . . 72 CYS CB . 10037 1 829 . 1 1 72 72 CYS N N 15 123.937 0.300 . 1 . . . . 72 CYS N . 10037 1 830 . 1 1 73 73 SER H H 1 8.825 0.030 . 1 . . . . 73 SER H . 10037 1 831 . 1 1 73 73 SER HA H 1 4.124 0.030 . 1 . . . . 73 SER HA . 10037 1 832 . 1 1 73 73 SER HB2 H 1 3.916 0.030 . 2 . . . . 73 SER HB2 . 10037 1 833 . 1 1 73 73 SER C C 13 176.949 0.300 . 1 . . . . 73 SER C . 10037 1 834 . 1 1 73 73 SER CA C 13 60.983 0.300 . 1 . . . . 73 SER CA . 10037 1 835 . 1 1 73 73 SER CB C 13 62.959 0.300 . 1 . . . . 73 SER CB . 10037 1 836 . 1 1 73 73 SER N N 15 115.623 0.300 . 1 . . . . 73 SER N . 10037 1 837 . 1 1 74 74 LYS H H 1 7.866 0.030 . 1 . . . . 74 LYS H . 10037 1 838 . 1 1 74 74 LYS HA H 1 4.123 0.030 . 1 . . . . 74 LYS HA . 10037 1 839 . 1 1 74 74 LYS HB2 H 1 1.855 0.030 . 1 . . . . 74 LYS HB2 . 10037 1 840 . 1 1 74 74 LYS HB3 H 1 1.855 0.030 . 1 . . . . 74 LYS HB3 . 10037 1 841 . 1 1 74 74 LYS HG2 H 1 1.406 0.030 . 2 . . . . 74 LYS HG2 . 10037 1 842 . 1 1 74 74 LYS HG3 H 1 1.503 0.030 . 2 . . . . 74 LYS HG3 . 10037 1 843 . 1 1 74 74 LYS HD2 H 1 1.669 0.030 . 1 . . . . 74 LYS HD2 . 10037 1 844 . 1 1 74 74 LYS HD3 H 1 1.669 0.030 . 1 . . . . 74 LYS HD3 . 10037 1 845 . 1 1 74 74 LYS HE2 H 1 2.984 0.030 . 2 . . . . 74 LYS HE2 . 10037 1 846 . 1 1 74 74 LYS C C 13 178.360 0.300 . 1 . . . . 74 LYS C . 10037 1 847 . 1 1 74 74 LYS CA C 13 58.529 0.300 . 1 . . . . 74 LYS CA . 10037 1 848 . 1 1 74 74 LYS CB C 13 32.903 0.300 . 1 . . . . 74 LYS CB . 10037 1 849 . 1 1 74 74 LYS CG C 13 25.074 0.300 . 1 . . . . 74 LYS CG . 10037 1 850 . 1 1 74 74 LYS CD C 13 29.216 0.300 . 1 . . . . 74 LYS CD . 10037 1 851 . 1 1 74 74 LYS CE C 13 42.298 0.300 . 1 . . . . 74 LYS CE . 10037 1 852 . 1 1 74 74 LYS N N 15 120.251 0.300 . 1 . . . . 74 LYS N . 10037 1 853 . 1 1 75 75 THR H H 1 7.809 0.030 . 1 . . . . 75 THR H . 10037 1 854 . 1 1 75 75 THR HA H 1 4.106 0.030 . 1 . . . . 75 THR HA . 10037 1 855 . 1 1 75 75 THR HB H 1 3.852 0.030 . 1 . . . . 75 THR HB . 10037 1 856 . 1 1 75 75 THR HG21 H 1 0.510 0.030 . 1 . . . . 75 THR HG2 . 10037 1 857 . 1 1 75 75 THR HG22 H 1 0.510 0.030 . 1 . . . . 75 THR HG2 . 10037 1 858 . 1 1 75 75 THR HG23 H 1 0.510 0.030 . 1 . . . . 75 THR HG2 . 10037 1 859 . 1 1 75 75 THR C C 13 175.635 0.300 . 1 . . . . 75 THR C . 10037 1 860 . 1 1 75 75 THR CA C 13 62.196 0.300 . 1 . . . . 75 THR CA . 10037 1 861 . 1 1 75 75 THR CB C 13 70.515 0.300 . 1 . . . . 75 THR CB . 10037 1 862 . 1 1 75 75 THR CG2 C 13 19.994 0.300 . 1 . . . . 75 THR CG2 . 10037 1 863 . 1 1 75 75 THR N N 15 107.689 0.300 . 1 . . . . 75 THR N . 10037 1 864 . 1 1 76 76 GLY H H 1 7.891 0.030 . 1 . . . . 76 GLY H . 10037 1 865 . 1 1 76 76 GLY HA2 H 1 3.989 0.030 . 2 . . . . 76 GLY HA2 . 10037 1 866 . 1 1 76 76 GLY HA3 H 1 3.730 0.030 . 2 . . . . 76 GLY HA3 . 10037 1 867 . 1 1 76 76 GLY C C 13 174.236 0.300 . 1 . . . . 76 GLY C . 10037 1 868 . 1 1 76 76 GLY CA C 13 45.833 0.300 . 1 . . . . 76 GLY CA . 10037 1 869 . 1 1 76 76 GLY N N 15 111.239 0.300 . 1 . . . . 76 GLY N . 10037 1 870 . 1 1 77 77 HIS H H 1 7.805 0.030 . 1 . . . . 77 HIS H . 10037 1 871 . 1 1 77 77 HIS HA H 1 4.688 0.030 . 1 . . . . 77 HIS HA . 10037 1 872 . 1 1 77 77 HIS HB2 H 1 2.757 0.030 . 2 . . . . 77 HIS HB2 . 10037 1 873 . 1 1 77 77 HIS HB3 H 1 3.056 0.030 . 2 . . . . 77 HIS HB3 . 10037 1 874 . 1 1 77 77 HIS HD2 H 1 7.119 0.030 . 1 . . . . 77 HIS HD2 . 10037 1 875 . 1 1 77 77 HIS HE1 H 1 8.038 0.030 . 1 . . . . 77 HIS HE1 . 10037 1 876 . 1 1 77 77 HIS C C 13 173.371 0.300 . 1 . . . . 77 HIS C . 10037 1 877 . 1 1 77 77 HIS CA C 13 54.847 0.300 . 1 . . . . 77 HIS CA . 10037 1 878 . 1 1 77 77 HIS CB C 13 30.905 0.300 . 1 . . . . 77 HIS CB . 10037 1 879 . 1 1 77 77 HIS CD2 C 13 123.880 0.300 . 1 . . . . 77 HIS CD2 . 10037 1 880 . 1 1 77 77 HIS CE1 C 13 138.358 0.300 . 1 . . . . 77 HIS CE1 . 10037 1 881 . 1 1 77 77 HIS N N 15 121.556 0.300 . 1 . . . . 77 HIS N . 10037 1 882 . 1 1 78 78 PRO HA H 1 4.419 0.030 . 1 . . . . 78 PRO HA . 10037 1 883 . 1 1 78 78 PRO HB2 H 1 2.240 0.030 . 2 . . . . 78 PRO HB2 . 10037 1 884 . 1 1 78 78 PRO HB3 H 1 1.887 0.030 . 2 . . . . 78 PRO HB3 . 10037 1 885 . 1 1 78 78 PRO HG2 H 1 2.160 0.030 . 2 . . . . 78 PRO HG2 . 10037 1 886 . 1 1 78 78 PRO HG3 H 1 2.024 0.030 . 2 . . . . 78 PRO HG3 . 10037 1 887 . 1 1 78 78 PRO HD2 H 1 3.346 0.030 . 2 . . . . 78 PRO HD2 . 10037 1 888 . 1 1 78 78 PRO HD3 H 1 3.774 0.030 . 2 . . . . 78 PRO HD3 . 10037 1 889 . 1 1 78 78 PRO C C 13 176.201 0.300 . 1 . . . . 78 PRO C . 10037 1 890 . 1 1 78 78 PRO CA C 13 63.131 0.300 . 1 . . . . 78 PRO CA . 10037 1 891 . 1 1 78 78 PRO CB C 13 32.031 0.300 . 1 . . . . 78 PRO CB . 10037 1 892 . 1 1 78 78 PRO CG C 13 27.545 0.300 . 1 . . . . 78 PRO CG . 10037 1 893 . 1 1 78 78 PRO CD C 13 50.480 0.300 . 1 . . . . 78 PRO CD . 10037 1 894 . 1 1 79 79 LEU H H 1 8.518 0.030 . 1 . . . . 79 LEU H . 10037 1 895 . 1 1 79 79 LEU HA H 1 4.771 0.030 . 1 . . . . 79 LEU HA . 10037 1 896 . 1 1 79 79 LEU HB2 H 1 1.728 0.030 . 2 . . . . 79 LEU HB2 . 10037 1 897 . 1 1 79 79 LEU HB3 H 1 1.528 0.030 . 2 . . . . 79 LEU HB3 . 10037 1 898 . 1 1 79 79 LEU HG H 1 1.647 0.030 . 1 . . . . 79 LEU HG . 10037 1 899 . 1 1 79 79 LEU HD11 H 1 0.917 0.030 . 1 . . . . 79 LEU HD1 . 10037 1 900 . 1 1 79 79 LEU HD12 H 1 0.917 0.030 . 1 . . . . 79 LEU HD1 . 10037 1 901 . 1 1 79 79 LEU HD13 H 1 0.917 0.030 . 1 . . . . 79 LEU HD1 . 10037 1 902 . 1 1 79 79 LEU HD21 H 1 0.962 0.030 . 1 . . . . 79 LEU HD2 . 10037 1 903 . 1 1 79 79 LEU HD22 H 1 0.962 0.030 . 1 . . . . 79 LEU HD2 . 10037 1 904 . 1 1 79 79 LEU HD23 H 1 0.962 0.030 . 1 . . . . 79 LEU HD2 . 10037 1 905 . 1 1 79 79 LEU C C 13 177.343 0.300 . 1 . . . . 79 LEU C . 10037 1 906 . 1 1 79 79 LEU CA C 13 53.697 0.300 . 1 . . . . 79 LEU CA . 10037 1 907 . 1 1 79 79 LEU CB C 13 44.144 0.300 . 1 . . . . 79 LEU CB . 10037 1 908 . 1 1 79 79 LEU CG C 13 27.183 0.300 . 1 . . . . 79 LEU CG . 10037 1 909 . 1 1 79 79 LEU CD1 C 13 26.277 0.300 . 2 . . . . 79 LEU CD1 . 10037 1 910 . 1 1 79 79 LEU CD2 C 13 23.510 0.300 . 2 . . . . 79 LEU CD2 . 10037 1 911 . 1 1 79 79 LEU N N 15 126.858 0.300 . 1 . . . . 79 LEU N . 10037 1 912 . 1 1 80 80 GLN H H 1 8.969 0.030 . 1 . . . . 80 GLN H . 10037 1 913 . 1 1 80 80 GLN HA H 1 4.526 0.030 . 1 . . . . 80 GLN HA . 10037 1 914 . 1 1 80 80 GLN HB2 H 1 2.154 0.030 . 2 . . . . 80 GLN HB2 . 10037 1 915 . 1 1 80 80 GLN HB3 H 1 2.015 0.030 . 2 . . . . 80 GLN HB3 . 10037 1 916 . 1 1 80 80 GLN HG2 H 1 2.622 0.030 . 2 . . . . 80 GLN HG2 . 10037 1 917 . 1 1 80 80 GLN HG3 H 1 2.045 0.030 . 2 . . . . 80 GLN HG3 . 10037 1 918 . 1 1 80 80 GLN HE21 H 1 7.910 0.030 . 2 . . . . 80 GLN HE21 . 10037 1 919 . 1 1 80 80 GLN HE22 H 1 7.015 0.030 . 2 . . . . 80 GLN HE22 . 10037 1 920 . 1 1 80 80 GLN C C 13 173.638 0.300 . 1 . . . . 80 GLN C . 10037 1 921 . 1 1 80 80 GLN CA C 13 53.500 0.300 . 1 . . . . 80 GLN CA . 10037 1 922 . 1 1 80 80 GLN CB C 13 28.573 0.300 . 1 . . . . 80 GLN CB . 10037 1 923 . 1 1 80 80 GLN CG C 13 33.528 0.300 . 1 . . . . 80 GLN CG . 10037 1 924 . 1 1 80 80 GLN N N 15 126.185 0.300 . 1 . . . . 80 GLN N . 10037 1 925 . 1 1 80 80 GLN NE2 N 15 114.987 0.300 . 1 . . . . 80 GLN NE2 . 10037 1 926 . 1 1 81 81 PRO HA H 1 4.705 0.030 . 1 . . . . 81 PRO HA . 10037 1 927 . 1 1 81 81 PRO HB2 H 1 2.316 0.030 . 2 . . . . 81 PRO HB2 . 10037 1 928 . 1 1 81 81 PRO HB3 H 1 1.716 0.030 . 2 . . . . 81 PRO HB3 . 10037 1 929 . 1 1 81 81 PRO HG2 H 1 2.090 0.030 . 1 . . . . 81 PRO HG2 . 10037 1 930 . 1 1 81 81 PRO HG3 H 1 2.090 0.030 . 1 . . . . 81 PRO HG3 . 10037 1 931 . 1 1 81 81 PRO HD2 H 1 3.684 0.030 . 2 . . . . 81 PRO HD2 . 10037 1 932 . 1 1 81 81 PRO HD3 H 1 3.873 0.030 . 2 . . . . 81 PRO HD3 . 10037 1 933 . 1 1 81 81 PRO CA C 13 61.397 0.300 . 1 . . . . 81 PRO CA . 10037 1 934 . 1 1 81 81 PRO CB C 13 30.856 0.300 . 1 . . . . 81 PRO CB . 10037 1 935 . 1 1 81 81 PRO CG C 13 27.012 0.300 . 1 . . . . 81 PRO CG . 10037 1 936 . 1 1 81 81 PRO CD C 13 50.377 0.300 . 1 . . . . 81 PRO CD . 10037 1 937 . 1 1 82 82 PRO HA H 1 4.532 0.030 . 1 . . . . 82 PRO HA . 10037 1 938 . 1 1 82 82 PRO HB2 H 1 2.089 0.030 . 2 . . . . 82 PRO HB2 . 10037 1 939 . 1 1 82 82 PRO HB3 H 1 1.942 0.030 . 2 . . . . 82 PRO HB3 . 10037 1 940 . 1 1 82 82 PRO HG2 H 1 2.068 0.030 . 1 . . . . 82 PRO HG2 . 10037 1 941 . 1 1 82 82 PRO HG3 H 1 2.068 0.030 . 1 . . . . 82 PRO HG3 . 10037 1 942 . 1 1 82 82 PRO HD2 H 1 3.653 0.030 . 2 . . . . 82 PRO HD2 . 10037 1 943 . 1 1 82 82 PRO HD3 H 1 3.846 0.030 . 2 . . . . 82 PRO HD3 . 10037 1 944 . 1 1 82 82 PRO C C 13 175.933 0.300 . 1 . . . . 82 PRO C . 10037 1 945 . 1 1 82 82 PRO CA C 13 62.955 0.300 . 1 . . . . 82 PRO CA . 10037 1 946 . 1 1 82 82 PRO CB C 13 31.272 0.300 . 1 . . . . 82 PRO CB . 10037 1 947 . 1 1 82 82 PRO CG C 13 27.710 0.300 . 1 . . . . 82 PRO CG . 10037 1 948 . 1 1 82 82 PRO CD C 13 50.336 0.300 . 1 . . . . 82 PRO CD . 10037 1 949 . 1 1 83 83 LEU H H 1 7.639 0.030 . 1 . . . . 83 LEU H . 10037 1 950 . 1 1 83 83 LEU HA H 1 4.325 0.030 . 1 . . . . 83 LEU HA . 10037 1 951 . 1 1 83 83 LEU HB2 H 1 1.376 0.030 . 2 . . . . 83 LEU HB2 . 10037 1 952 . 1 1 83 83 LEU HB3 H 1 1.263 0.030 . 2 . . . . 83 LEU HB3 . 10037 1 953 . 1 1 83 83 LEU HG H 1 1.392 0.030 . 1 . . . . 83 LEU HG . 10037 1 954 . 1 1 83 83 LEU HD11 H 1 0.602 0.030 . 1 . . . . 83 LEU HD1 . 10037 1 955 . 1 1 83 83 LEU HD12 H 1 0.602 0.030 . 1 . . . . 83 LEU HD1 . 10037 1 956 . 1 1 83 83 LEU HD13 H 1 0.602 0.030 . 1 . . . . 83 LEU HD1 . 10037 1 957 . 1 1 83 83 LEU HD21 H 1 0.625 0.030 . 1 . . . . 83 LEU HD2 . 10037 1 958 . 1 1 83 83 LEU HD22 H 1 0.625 0.030 . 1 . . . . 83 LEU HD2 . 10037 1 959 . 1 1 83 83 LEU HD23 H 1 0.625 0.030 . 1 . . . . 83 LEU HD2 . 10037 1 960 . 1 1 83 83 LEU C C 13 176.523 0.300 . 1 . . . . 83 LEU C . 10037 1 961 . 1 1 83 83 LEU CA C 13 54.890 0.300 . 1 . . . . 83 LEU CA . 10037 1 962 . 1 1 83 83 LEU CB C 13 43.102 0.300 . 1 . . . . 83 LEU CB . 10037 1 963 . 1 1 83 83 LEU CG C 13 26.839 0.300 . 1 . . . . 83 LEU CG . 10037 1 964 . 1 1 83 83 LEU CD1 C 13 23.742 0.300 . 2 . . . . 83 LEU CD1 . 10037 1 965 . 1 1 83 83 LEU CD2 C 13 24.596 0.300 . 2 . . . . 83 LEU CD2 . 10037 1 966 . 1 1 83 83 LEU N N 15 122.198 0.300 . 1 . . . . 83 LEU N . 10037 1 967 . 1 1 84 84 SER H H 1 8.346 0.030 . 1 . . . . 84 SER H . 10037 1 968 . 1 1 84 84 SER HA H 1 4.505 0.030 . 1 . . . . 84 SER HA . 10037 1 969 . 1 1 84 84 SER HB2 H 1 3.771 0.030 . 2 . . . . 84 SER HB2 . 10037 1 970 . 1 1 84 84 SER HB3 H 1 3.691 0.030 . 2 . . . . 84 SER HB3 . 10037 1 971 . 1 1 84 84 SER C C 13 173.055 0.300 . 1 . . . . 84 SER C . 10037 1 972 . 1 1 84 84 SER CA C 13 55.922 0.300 . 1 . . . . 84 SER CA . 10037 1 973 . 1 1 84 84 SER CB C 13 63.575 0.300 . 1 . . . . 84 SER CB . 10037 1 974 . 1 1 84 84 SER N N 15 118.495 0.300 . 1 . . . . 84 SER N . 10037 1 975 . 1 1 85 85 PRO HA H 1 4.316 0.030 . 1 . . . . 85 PRO HA . 10037 1 976 . 1 1 85 85 PRO HB2 H 1 2.233 0.030 . 2 . . . . 85 PRO HB2 . 10037 1 977 . 1 1 85 85 PRO HB3 H 1 1.871 0.030 . 2 . . . . 85 PRO HB3 . 10037 1 978 . 1 1 85 85 PRO HG2 H 1 1.950 0.030 . 2 . . . . 85 PRO HG2 . 10037 1 979 . 1 1 85 85 PRO HG3 H 1 1.878 0.030 . 2 . . . . 85 PRO HG3 . 10037 1 980 . 1 1 85 85 PRO HD2 H 1 3.558 0.030 . 2 . . . . 85 PRO HD2 . 10037 1 981 . 1 1 85 85 PRO HD3 H 1 3.614 0.030 . 2 . . . . 85 PRO HD3 . 10037 1 982 . 1 1 85 85 PRO C C 13 177.566 0.300 . 1 . . . . 85 PRO C . 10037 1 983 . 1 1 85 85 PRO CA C 13 63.980 0.300 . 1 . . . . 85 PRO CA . 10037 1 984 . 1 1 85 85 PRO CB C 13 31.996 0.300 . 1 . . . . 85 PRO CB . 10037 1 985 . 1 1 85 85 PRO CG C 13 27.468 0.300 . 1 . . . . 85 PRO CG . 10037 1 986 . 1 1 85 85 PRO CD C 13 50.637 0.300 . 1 . . . . 85 PRO CD . 10037 1 987 . 1 1 86 86 LEU H H 1 8.005 0.030 . 1 . . . . 86 LEU H . 10037 1 988 . 1 1 86 86 LEU HA H 1 4.192 0.030 . 1 . . . . 86 LEU HA . 10037 1 989 . 1 1 86 86 LEU HB2 H 1 1.579 0.030 . 1 . . . . 86 LEU HB2 . 10037 1 990 . 1 1 86 86 LEU HB3 H 1 1.579 0.030 . 1 . . . . 86 LEU HB3 . 10037 1 991 . 1 1 86 86 LEU HG H 1 1.592 0.030 . 1 . . . . 86 LEU HG . 10037 1 992 . 1 1 86 86 LEU HD11 H 1 0.901 0.030 . 1 . . . . 86 LEU HD1 . 10037 1 993 . 1 1 86 86 LEU HD12 H 1 0.901 0.030 . 1 . . . . 86 LEU HD1 . 10037 1 994 . 1 1 86 86 LEU HD13 H 1 0.901 0.030 . 1 . . . . 86 LEU HD1 . 10037 1 995 . 1 1 86 86 LEU HD21 H 1 0.851 0.030 . 1 . . . . 86 LEU HD2 . 10037 1 996 . 1 1 86 86 LEU HD22 H 1 0.851 0.030 . 1 . . . . 86 LEU HD2 . 10037 1 997 . 1 1 86 86 LEU HD23 H 1 0.851 0.030 . 1 . . . . 86 LEU HD2 . 10037 1 998 . 1 1 86 86 LEU C C 13 178.019 0.300 . 1 . . . . 86 LEU C . 10037 1 999 . 1 1 86 86 LEU CA C 13 56.272 0.300 . 1 . . . . 86 LEU CA . 10037 1 1000 . 1 1 86 86 LEU CB C 13 42.144 0.300 . 1 . . . . 86 LEU CB . 10037 1 1001 . 1 1 86 86 LEU CG C 13 27.076 0.300 . 1 . . . . 86 LEU CG . 10037 1 1002 . 1 1 86 86 LEU CD1 C 13 24.852 0.300 . 2 . . . . 86 LEU CD1 . 10037 1 1003 . 1 1 86 86 LEU CD2 C 13 23.651 0.300 . 2 . . . . 86 LEU CD2 . 10037 1 1004 . 1 1 86 86 LEU N N 15 120.440 0.300 . 1 . . . . 86 LEU N . 10037 1 1005 . 1 1 87 87 GLU H H 1 8.137 0.030 . 1 . . . . 87 GLU H . 10037 1 1006 . 1 1 87 87 GLU HA H 1 4.212 0.030 . 1 . . . . 87 GLU HA . 10037 1 1007 . 1 1 87 87 GLU HB2 H 1 2.034 0.030 . 1 . . . . 87 GLU HB2 . 10037 1 1008 . 1 1 87 87 GLU HB3 H 1 2.034 0.030 . 1 . . . . 87 GLU HB3 . 10037 1 1009 . 1 1 87 87 GLU HG2 H 1 2.251 0.030 . 1 . . . . 87 GLU HG2 . 10037 1 1010 . 1 1 87 87 GLU HG3 H 1 2.251 0.030 . 1 . . . . 87 GLU HG3 . 10037 1 1011 . 1 1 87 87 GLU C C 13 176.924 0.300 . 1 . . . . 87 GLU C . 10037 1 1012 . 1 1 87 87 GLU CA C 13 57.189 0.300 . 1 . . . . 87 GLU CA . 10037 1 1013 . 1 1 87 87 GLU CB C 13 30.217 0.300 . 1 . . . . 87 GLU CB . 10037 1 1014 . 1 1 87 87 GLU CG C 13 36.611 0.300 . 1 . . . . 87 GLU CG . 10037 1 1015 . 1 1 87 87 GLU N N 15 119.955 0.300 . 1 . . . . 87 GLU N . 10037 1 1016 . 1 1 88 88 LEU H H 1 8.005 0.030 . 1 . . . . 88 LEU H . 10037 1 1017 . 1 1 88 88 LEU HA H 1 4.283 0.030 . 1 . . . . 88 LEU HA . 10037 1 1018 . 1 1 88 88 LEU HB2 H 1 1.605 0.030 . 1 . . . . 88 LEU HB2 . 10037 1 1019 . 1 1 88 88 LEU HB3 H 1 1.605 0.030 . 1 . . . . 88 LEU HB3 . 10037 1 1020 . 1 1 88 88 LEU HG H 1 1.563 0.030 . 1 . . . . 88 LEU HG . 10037 1 1021 . 1 1 88 88 LEU HD11 H 1 0.844 0.030 . 1 . . . . 88 LEU HD1 . 10037 1 1022 . 1 1 88 88 LEU HD12 H 1 0.844 0.030 . 1 . . . . 88 LEU HD1 . 10037 1 1023 . 1 1 88 88 LEU HD13 H 1 0.844 0.030 . 1 . . . . 88 LEU HD1 . 10037 1 1024 . 1 1 88 88 LEU HD21 H 1 0.825 0.030 . 1 . . . . 88 LEU HD2 . 10037 1 1025 . 1 1 88 88 LEU HD22 H 1 0.825 0.030 . 1 . . . . 88 LEU HD2 . 10037 1 1026 . 1 1 88 88 LEU HD23 H 1 0.825 0.030 . 1 . . . . 88 LEU HD2 . 10037 1 1027 . 1 1 88 88 LEU C C 13 177.654 0.300 . 1 . . . . 88 LEU C . 10037 1 1028 . 1 1 88 88 LEU CA C 13 55.584 0.300 . 1 . . . . 88 LEU CA . 10037 1 1029 . 1 1 88 88 LEU CB C 13 42.175 0.300 . 1 . . . . 88 LEU CB . 10037 1 1030 . 1 1 88 88 LEU CG C 13 27.021 0.300 . 1 . . . . 88 LEU CG . 10037 1 1031 . 1 1 88 88 LEU CD1 C 13 25.014 0.300 . 2 . . . . 88 LEU CD1 . 10037 1 1032 . 1 1 88 88 LEU CD2 C 13 23.637 0.300 . 2 . . . . 88 LEU CD2 . 10037 1 1033 . 1 1 88 88 LEU N N 15 121.611 0.300 . 1 . . . . 88 LEU N . 10037 1 1034 . 1 1 89 89 MET H H 1 8.114 0.030 . 1 . . . . 89 MET H . 10037 1 1035 . 1 1 89 89 MET HA H 1 4.410 0.030 . 1 . . . . 89 MET HA . 10037 1 1036 . 1 1 89 89 MET HB2 H 1 2.058 0.030 . 2 . . . . 89 MET HB2 . 10037 1 1037 . 1 1 89 89 MET HB3 H 1 2.118 0.030 . 2 . . . . 89 MET HB3 . 10037 1 1038 . 1 1 89 89 MET HG2 H 1 2.616 0.030 . 2 . . . . 89 MET HG2 . 10037 1 1039 . 1 1 89 89 MET HG3 H 1 2.533 0.030 . 2 . . . . 89 MET HG3 . 10037 1 1040 . 1 1 89 89 MET HE1 H 1 2.071 0.030 . 1 . . . . 89 MET HE . 10037 1 1041 . 1 1 89 89 MET HE2 H 1 2.071 0.030 . 1 . . . . 89 MET HE . 10037 1 1042 . 1 1 89 89 MET HE3 H 1 2.071 0.030 . 1 . . . . 89 MET HE . 10037 1 1043 . 1 1 89 89 MET C C 13 176.657 0.300 . 1 . . . . 89 MET C . 10037 1 1044 . 1 1 89 89 MET CA C 13 56.209 0.300 . 1 . . . . 89 MET CA . 10037 1 1045 . 1 1 89 89 MET CB C 13 32.944 0.300 . 1 . . . . 89 MET CB . 10037 1 1046 . 1 1 89 89 MET CG C 13 32.066 0.300 . 1 . . . . 89 MET CG . 10037 1 1047 . 1 1 89 89 MET CE C 13 17.040 0.300 . 1 . . . . 89 MET CE . 10037 1 1048 . 1 1 89 89 MET N N 15 120.507 0.300 . 1 . . . . 89 MET N . 10037 1 1049 . 1 1 90 90 GLU H H 1 8.320 0.030 . 1 . . . . 90 GLU H . 10037 1 1050 . 1 1 90 90 GLU HA H 1 4.268 0.030 . 1 . . . . 90 GLU HA . 10037 1 1051 . 1 1 90 90 GLU HB2 H 1 1.985 0.030 . 2 . . . . 90 GLU HB2 . 10037 1 1052 . 1 1 90 90 GLU HB3 H 1 2.085 0.030 . 2 . . . . 90 GLU HB3 . 10037 1 1053 . 1 1 90 90 GLU HG2 H 1 2.260 0.030 . 2 . . . . 90 GLU HG2 . 10037 1 1054 . 1 1 90 90 GLU HG3 H 1 2.333 0.030 . 2 . . . . 90 GLU HG3 . 10037 1 1055 . 1 1 90 90 GLU C C 13 176.584 0.300 . 1 . . . . 90 GLU C . 10037 1 1056 . 1 1 90 90 GLU CA C 13 57.013 0.300 . 1 . . . . 90 GLU CA . 10037 1 1057 . 1 1 90 90 GLU CB C 13 30.265 0.300 . 1 . . . . 90 GLU CB . 10037 1 1058 . 1 1 90 90 GLU CG C 13 36.364 0.300 . 1 . . . . 90 GLU CG . 10037 1 1059 . 1 1 90 90 GLU N N 15 121.492 0.300 . 1 . . . . 90 GLU N . 10037 1 1060 . 1 1 91 91 ALA H H 1 8.252 0.030 . 1 . . . . 91 ALA H . 10037 1 1061 . 1 1 91 91 ALA HA H 1 4.336 0.030 . 1 . . . . 91 ALA HA . 10037 1 1062 . 1 1 91 91 ALA HB1 H 1 1.421 0.030 . 1 . . . . 91 ALA HB . 10037 1 1063 . 1 1 91 91 ALA HB2 H 1 1.421 0.030 . 1 . . . . 91 ALA HB . 10037 1 1064 . 1 1 91 91 ALA HB3 H 1 1.421 0.030 . 1 . . . . 91 ALA HB . 10037 1 1065 . 1 1 91 91 ALA C C 13 178.007 0.300 . 1 . . . . 91 ALA C . 10037 1 1066 . 1 1 91 91 ALA CA C 13 52.887 0.300 . 1 . . . . 91 ALA CA . 10037 1 1067 . 1 1 91 91 ALA CB C 13 19.166 0.300 . 1 . . . . 91 ALA CB . 10037 1 1068 . 1 1 91 91 ALA N N 15 124.444 0.300 . 1 . . . . 91 ALA N . 10037 1 1069 . 1 1 92 92 SER H H 1 8.201 0.030 . 1 . . . . 92 SER H . 10037 1 1070 . 1 1 92 92 SER HA H 1 4.430 0.030 . 1 . . . . 92 SER HA . 10037 1 1071 . 1 1 92 92 SER HB2 H 1 3.888 0.030 . 2 . . . . 92 SER HB2 . 10037 1 1072 . 1 1 92 92 SER C C 13 174.941 0.300 . 1 . . . . 92 SER C . 10037 1 1073 . 1 1 92 92 SER CA C 13 58.775 0.300 . 1 . . . . 92 SER CA . 10037 1 1074 . 1 1 92 92 SER CB C 13 63.685 0.300 . 1 . . . . 92 SER CB . 10037 1 1075 . 1 1 92 92 SER N N 15 114.674 0.300 . 1 . . . . 92 SER N . 10037 1 1076 . 1 1 93 93 GLU H H 1 8.394 0.030 . 1 . . . . 93 GLU H . 10037 1 1077 . 1 1 93 93 GLU HA H 1 4.268 0.030 . 1 . . . . 93 GLU HA . 10037 1 1078 . 1 1 93 93 GLU HB2 H 1 1.919 0.030 . 2 . . . . 93 GLU HB2 . 10037 1 1079 . 1 1 93 93 GLU HB3 H 1 1.994 0.030 . 2 . . . . 93 GLU HB3 . 10037 1 1080 . 1 1 93 93 GLU HG2 H 1 2.144 0.030 . 2 . . . . 93 GLU HG2 . 10037 1 1081 . 1 1 93 93 GLU HG3 H 1 2.215 0.030 . 2 . . . . 93 GLU HG3 . 10037 1 1082 . 1 1 93 93 GLU C C 13 176.523 0.300 . 1 . . . . 93 GLU C . 10037 1 1083 . 1 1 93 93 GLU CA C 13 56.995 0.300 . 1 . . . . 93 GLU CA . 10037 1 1084 . 1 1 93 93 GLU CB C 13 30.141 0.300 . 1 . . . . 93 GLU CB . 10037 1 1085 . 1 1 93 93 GLU CG C 13 36.159 0.300 . 1 . . . . 93 GLU CG . 10037 1 1086 . 1 1 93 93 GLU N N 15 122.385 0.300 . 1 . . . . 93 GLU N . 10037 1 1087 . 1 1 94 94 HIS H H 1 8.241 0.030 . 1 . . . . 94 HIS H . 10037 1 1088 . 1 1 94 94 HIS HA H 1 4.694 0.030 . 1 . . . . 94 HIS HA . 10037 1 1089 . 1 1 94 94 HIS HB2 H 1 3.108 0.030 . 2 . . . . 94 HIS HB2 . 10037 1 1090 . 1 1 94 94 HIS HB3 H 1 3.230 0.030 . 2 . . . . 94 HIS HB3 . 10037 1 1091 . 1 1 94 94 HIS HD2 H 1 7.095 0.030 . 1 . . . . 94 HIS HD2 . 10037 1 1092 . 1 1 94 94 HIS HE1 H 1 8.699 0.030 . 1 . . . . 94 HIS HE1 . 10037 1 1093 . 1 1 94 94 HIS C C 13 176.073 0.300 . 1 . . . . 94 HIS C . 10037 1 1094 . 1 1 94 94 HIS CA C 13 56.290 0.300 . 1 . . . . 94 HIS CA . 10037 1 1095 . 1 1 94 94 HIS CB C 13 30.637 0.300 . 1 . . . . 94 HIS CB . 10037 1 1096 . 1 1 94 94 HIS CD2 C 13 120.052 0.300 . 1 . . . . 94 HIS CD2 . 10037 1 1097 . 1 1 94 94 HIS CE1 C 13 137.138 0.300 . 1 . . . . 94 HIS CE1 . 10037 1 1098 . 1 1 94 94 HIS N N 15 119.411 0.300 . 1 . . . . 94 HIS N . 10037 1 1099 . 1 1 95 95 GLY H H 1 8.331 0.030 . 1 . . . . 95 GLY H . 10037 1 1100 . 1 1 95 95 GLY HA2 H 1 4.019 0.030 . 1 . . . . 95 GLY HA2 . 10037 1 1101 . 1 1 95 95 GLY HA3 H 1 4.019 0.030 . 1 . . . . 95 GLY HA3 . 10037 1 1102 . 1 1 95 95 GLY C C 13 174.772 0.300 . 1 . . . . 95 GLY C . 10037 1 1103 . 1 1 95 95 GLY CA C 13 45.409 0.300 . 1 . . . . 95 GLY CA . 10037 1 1104 . 1 1 95 95 GLY N N 15 109.881 0.300 . 1 . . . . 95 GLY N . 10037 1 1105 . 1 1 96 96 GLY H H 1 8.367 0.030 . 1 . . . . 96 GLY H . 10037 1 1106 . 1 1 96 96 GLY HA2 H 1 3.975 0.030 . 2 . . . . 96 GLY HA2 . 10037 1 1107 . 1 1 96 96 GLY C C 13 173.993 0.300 . 1 . . . . 96 GLY C . 10037 1 1108 . 1 1 96 96 GLY CA C 13 45.287 0.300 . 1 . . . . 96 GLY CA . 10037 1 1109 . 1 1 96 96 GLY N N 15 108.905 0.300 . 1 . . . . 96 GLY N . 10037 1 1110 . 1 1 97 97 CYS H H 1 7.973 0.030 . 1 . . . . 97 CYS H . 10037 1 1111 . 1 1 97 97 CYS HA H 1 4.793 0.030 . 1 . . . . 97 CYS HA . 10037 1 1112 . 1 1 97 97 CYS HB2 H 1 2.056 0.030 . 1 . . . . 97 CYS HB2 . 10037 1 1113 . 1 1 97 97 CYS HB3 H 1 2.056 0.030 . 1 . . . . 97 CYS HB3 . 10037 1 1114 . 1 1 97 97 CYS C C 13 176.018 0.300 . 1 . . . . 97 CYS C . 10037 1 1115 . 1 1 97 97 CYS CA C 13 62.108 0.300 . 1 . . . . 97 CYS CA . 10037 1 1116 . 1 1 97 97 CYS CB C 13 32.856 0.300 . 1 . . . . 97 CYS CB . 10037 1 1117 . 1 1 97 97 CYS N N 15 119.542 0.300 . 1 . . . . 97 CYS N . 10037 1 1118 . 1 1 98 98 SER HA H 1 4.526 0.030 . 1 . . . . 98 SER HA . 10037 1 1119 . 1 1 98 98 SER HB2 H 1 3.873 0.030 . 2 . . . . 98 SER HB2 . 10037 1 1120 . 1 1 98 98 SER C C 13 174.276 0.300 . 1 . . . . 98 SER C . 10037 1 1121 . 1 1 98 98 SER CA C 13 58.511 0.300 . 1 . . . . 98 SER CA . 10037 1 1122 . 1 1 98 98 SER CB C 13 63.644 0.300 . 1 . . . . 98 SER CB . 10037 1 1123 . 1 1 99 99 THR HA H 1 4.648 0.030 . 1 . . . . 99 THR HA . 10037 1 1124 . 1 1 99 99 THR HB H 1 4.177 0.030 . 1 . . . . 99 THR HB . 10037 1 1125 . 1 1 99 99 THR HG21 H 1 1.253 0.030 . 1 . . . . 99 THR HG2 . 10037 1 1126 . 1 1 99 99 THR HG22 H 1 1.253 0.030 . 1 . . . . 99 THR HG2 . 10037 1 1127 . 1 1 99 99 THR HG23 H 1 1.253 0.030 . 1 . . . . 99 THR HG2 . 10037 1 1128 . 1 1 99 99 THR C C 13 172.933 0.300 . 1 . . . . 99 THR C . 10037 1 1129 . 1 1 99 99 THR CA C 13 59.772 0.300 . 1 . . . . 99 THR CA . 10037 1 1130 . 1 1 99 99 THR CB C 13 69.806 0.300 . 1 . . . . 99 THR CB . 10037 1 1131 . 1 1 99 99 THR CG2 C 13 21.510 0.300 . 1 . . . . 99 THR CG2 . 10037 1 1132 . 1 1 100 100 PRO HA H 1 4.438 0.030 . 1 . . . . 100 PRO HA . 10037 1 1133 . 1 1 100 100 PRO HB2 H 1 2.305 0.030 . 2 . . . . 100 PRO HB2 . 10037 1 1134 . 1 1 100 100 PRO HB3 H 1 1.913 0.030 . 2 . . . . 100 PRO HB3 . 10037 1 1135 . 1 1 100 100 PRO HG2 H 1 2.060 0.030 . 2 . . . . 100 PRO HG2 . 10037 1 1136 . 1 1 100 100 PRO HG3 H 1 1.874 0.030 . 2 . . . . 100 PRO HG3 . 10037 1 1137 . 1 1 100 100 PRO HD2 H 1 3.840 0.030 . 2 . . . . 100 PRO HD2 . 10037 1 1138 . 1 1 100 100 PRO HD3 H 1 3.716 0.030 . 2 . . . . 100 PRO HD3 . 10037 1 1139 . 1 1 100 100 PRO C C 13 177.566 0.300 . 1 . . . . 100 PRO C . 10037 1 1140 . 1 1 100 100 PRO CA C 13 63.660 0.300 . 1 . . . . 100 PRO CA . 10037 1 1141 . 1 1 100 100 PRO CB C 13 32.161 0.300 . 1 . . . . 100 PRO CB . 10037 1 1142 . 1 1 100 100 PRO CG C 13 27.582 0.300 . 1 . . . . 100 PRO CG . 10037 1 1143 . 1 1 100 100 PRO CD C 13 51.117 0.300 . 1 . . . . 100 PRO CD . 10037 1 1144 . 1 1 101 101 GLY H H 1 8.554 0.030 . 1 . . . . 101 GLY H . 10037 1 1145 . 1 1 101 101 GLY HA2 H 1 3.989 0.030 . 2 . . . . 101 GLY HA2 . 10037 1 1146 . 1 1 101 101 GLY C C 13 174.237 0.300 . 1 . . . . 101 GLY C . 10037 1 1147 . 1 1 101 101 GLY CA C 13 45.322 0.300 . 1 . . . . 101 GLY CA . 10037 1 1148 . 1 1 101 101 GLY N N 15 109.886 0.300 . 1 . . . . 101 GLY N . 10037 1 1149 . 1 1 102 102 SER H H 1 8.183 0.030 . 1 . . . . 102 SER H . 10037 1 1150 . 1 1 102 102 SER HA H 1 4.483 0.030 . 1 . . . . 102 SER HA . 10037 1 1151 . 1 1 102 102 SER HB2 H 1 3.888 0.030 . 2 . . . . 102 SER HB2 . 10037 1 1152 . 1 1 102 102 SER C C 13 174.613 0.300 . 1 . . . . 102 SER C . 10037 1 1153 . 1 1 102 102 SER CA C 13 58.318 0.300 . 1 . . . . 102 SER CA . 10037 1 1154 . 1 1 102 102 SER CB C 13 64.056 0.300 . 1 . . . . 102 SER CB . 10037 1 1155 . 1 1 102 102 SER N N 15 115.357 0.300 . 1 . . . . 102 SER N . 10037 1 1156 . 1 1 103 103 GLY H H 1 8.332 0.030 . 1 . . . . 103 GLY H . 10037 1 1157 . 1 1 103 103 GLY C C 13 171.865 0.300 . 1 . . . . 103 GLY C . 10037 1 1158 . 1 1 103 103 GLY CA C 13 44.687 0.300 . 1 . . . . 103 GLY CA . 10037 1 1159 . 1 1 103 103 GLY N N 15 110.776 0.300 . 1 . . . . 103 GLY N . 10037 1 1160 . 1 1 104 104 PRO HA H 1 4.492 0.030 . 1 . . . . 104 PRO HA . 10037 1 1161 . 1 1 104 104 PRO HB2 H 1 2.314 0.030 . 2 . . . . 104 PRO HB2 . 10037 1 1162 . 1 1 104 104 PRO HB3 H 1 1.957 0.030 . 2 . . . . 104 PRO HB3 . 10037 1 1163 . 1 1 104 104 PRO HG2 H 1 2.036 0.030 . 1 . . . . 104 PRO HG2 . 10037 1 1164 . 1 1 104 104 PRO HG3 H 1 2.036 0.030 . 1 . . . . 104 PRO HG3 . 10037 1 1165 . 1 1 104 104 PRO HD2 H 1 3.646 0.030 . 1 . . . . 104 PRO HD2 . 10037 1 1166 . 1 1 104 104 PRO HD3 H 1 3.646 0.030 . 1 . . . . 104 PRO HD3 . 10037 1 1167 . 1 1 104 104 PRO C C 13 177.371 0.300 . 1 . . . . 104 PRO C . 10037 1 1168 . 1 1 104 104 PRO CA C 13 63.151 0.300 . 1 . . . . 104 PRO CA . 10037 1 1169 . 1 1 104 104 PRO CB C 13 32.145 0.300 . 1 . . . . 104 PRO CB . 10037 1 1170 . 1 1 104 104 PRO CG C 13 27.133 0.300 . 1 . . . . 104 PRO CG . 10037 1 1171 . 1 1 104 104 PRO CD C 13 49.840 0.300 . 1 . . . . 104 PRO CD . 10037 1 1172 . 1 1 105 105 SER H H 1 8.530 0.030 . 1 . . . . 105 SER H . 10037 1 1173 . 1 1 105 105 SER HA H 1 4.483 0.030 . 1 . . . . 105 SER HA . 10037 1 1174 . 1 1 105 105 SER HB2 H 1 3.902 0.030 . 2 . . . . 105 SER HB2 . 10037 1 1175 . 1 1 105 105 SER C C 13 174.687 0.300 . 1 . . . . 105 SER C . 10037 1 1176 . 1 1 105 105 SER CA C 13 58.352 0.300 . 1 . . . . 105 SER CA . 10037 1 1177 . 1 1 105 105 SER CB C 13 63.851 0.300 . 1 . . . . 105 SER CB . 10037 1 1178 . 1 1 105 105 SER N N 15 116.406 0.300 . 1 . . . . 105 SER N . 10037 1 1179 . 1 1 106 106 SER H H 1 8.341 0.030 . 1 . . . . 106 SER H . 10037 1 1180 . 1 1 106 106 SER HA H 1 4.512 0.030 . 1 . . . . 106 SER HA . 10037 1 1181 . 1 1 106 106 SER HB2 H 1 3.888 0.030 . 2 . . . . 106 SER HB2 . 10037 1 1182 . 1 1 106 106 SER C C 13 173.945 0.300 . 1 . . . . 106 SER C . 10037 1 1183 . 1 1 106 106 SER CA C 13 58.370 0.300 . 1 . . . . 106 SER CA . 10037 1 1184 . 1 1 106 106 SER CB C 13 63.892 0.300 . 1 . . . . 106 SER CB . 10037 1 1185 . 1 1 106 106 SER N N 15 117.853 0.300 . 1 . . . . 106 SER N . 10037 1 1186 . 1 1 107 107 GLY H H 1 8.059 0.030 . 1 . . . . 107 GLY H . 10037 1 1187 . 1 1 107 107 GLY C C 13 179.053 0.300 . 1 . . . . 107 GLY C . 10037 1 1188 . 1 1 107 107 GLY CA C 13 46.274 0.300 . 1 . . . . 107 GLY CA . 10037 1 1189 . 1 1 107 107 GLY N N 15 116.881 0.300 . 1 . . . . 107 GLY N . 10037 1 stop_ save_