data_10278 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10278 _Entry.Title ; Solution structure of the PH domain of Pleckstrin homology domain-containing protein family B member 1 from mouse ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2008-12-15 _Entry.Original_release_date 2008-12-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 H. Li . . . . 10278 2 T. Tomizawa . . . . 10278 3 S. Koshiba . . . . 10278 4 M. Inoue . . . . 10278 5 T. Kigawa . . . . 10278 6 S. Yokoyama . . . . 10278 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10278 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10278 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 10278 '15N chemical shifts' 129 10278 '1H chemical shifts' 815 10278 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 . . 2009-12-14 . original BMRB . 10278 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D9V 'BMRB Entry Tracking System' 10278 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10278 _Citation.ID 1 _Citation.Name . _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 PH domain of Pleckstrin homology domain-containing protein family B member 1 from mouse ; _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . . 10278 1 2 T. Tomizawa . . . . 10278 1 3 S. Koshiba . . . . 10278 1 4 M. Inoue . . . . 10278 1 5 T. Kigawa . . . . 10278 1 6 S. Yokoyama . . . . 10278 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10278 _Assembly.ID 1 _Assembly.Name 'Pleckstrin homology domain-containing protein family B member 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity_1 . . yes native no no . . . 10278 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2D9V . . . . . . 10278 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10278 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH 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 ; GSSGSSGLVRGGWLWRQSSI LRRWKRNWFALWLDGTLGYY HDETAQDEEDRVVIHFNVRD IKVGQECQDVQPPEGRSRDG LLTVNLREGSRLHLCAETRD DAIAWKTALMEANSTPAPAG ATVPSGPSSG ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' na 10278 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 . 10278 1 2 . SER . 10278 1 3 . SER . 10278 1 4 . GLY . 10278 1 5 . SER . 10278 1 6 . SER . 10278 1 7 . GLY . 10278 1 8 . LEU . 10278 1 9 . VAL . 10278 1 10 . ARG . 10278 1 11 . GLY . 10278 1 12 . GLY . 10278 1 13 . TRP . 10278 1 14 . LEU . 10278 1 15 . TRP . 10278 1 16 . ARG . 10278 1 17 . GLN . 10278 1 18 . SER . 10278 1 19 . SER . 10278 1 20 . ILE . 10278 1 21 . LEU . 10278 1 22 . ARG . 10278 1 23 . ARG . 10278 1 24 . TRP . 10278 1 25 . LYS . 10278 1 26 . ARG . 10278 1 27 . ASN . 10278 1 28 . TRP . 10278 1 29 . PHE . 10278 1 30 . ALA . 10278 1 31 . LEU . 10278 1 32 . TRP . 10278 1 33 . LEU . 10278 1 34 . ASP . 10278 1 35 . GLY . 10278 1 36 . THR . 10278 1 37 . LEU . 10278 1 38 . GLY . 10278 1 39 . TYR . 10278 1 40 . TYR . 10278 1 41 . HIS . 10278 1 42 . ASP . 10278 1 43 . GLU . 10278 1 44 . THR . 10278 1 45 . ALA . 10278 1 46 . GLN . 10278 1 47 . ASP . 10278 1 48 . GLU . 10278 1 49 . GLU . 10278 1 50 . ASP . 10278 1 51 . ARG . 10278 1 52 . VAL . 10278 1 53 . VAL . 10278 1 54 . ILE . 10278 1 55 . HIS . 10278 1 56 . PHE . 10278 1 57 . ASN . 10278 1 58 . VAL . 10278 1 59 . ARG . 10278 1 60 . ASP . 10278 1 61 . ILE . 10278 1 62 . LYS . 10278 1 63 . VAL . 10278 1 64 . GLY . 10278 1 65 . GLN . 10278 1 66 . GLU . 10278 1 67 . CYS . 10278 1 68 . GLN . 10278 1 69 . ASP . 10278 1 70 . VAL . 10278 1 71 . GLN . 10278 1 72 . PRO . 10278 1 73 . PRO . 10278 1 74 . GLU . 10278 1 75 . GLY . 10278 1 76 . ARG . 10278 1 77 . SER . 10278 1 78 . ARG . 10278 1 79 . ASP . 10278 1 80 . GLY . 10278 1 81 . LEU . 10278 1 82 . LEU . 10278 1 83 . THR . 10278 1 84 . VAL . 10278 1 85 . ASN . 10278 1 86 . LEU . 10278 1 87 . ARG . 10278 1 88 . GLU . 10278 1 89 . GLY . 10278 1 90 . SER . 10278 1 91 . ARG . 10278 1 92 . LEU . 10278 1 93 . HIS . 10278 1 94 . LEU . 10278 1 95 . CYS . 10278 1 96 . ALA . 10278 1 97 . GLU . 10278 1 98 . THR . 10278 1 99 . ARG . 10278 1 100 . ASP . 10278 1 101 . ASP . 10278 1 102 . ALA . 10278 1 103 . ILE . 10278 1 104 . ALA . 10278 1 105 . TRP . 10278 1 106 . LYS . 10278 1 107 . THR . 10278 1 108 . ALA . 10278 1 109 . LEU . 10278 1 110 . MET . 10278 1 111 . GLU . 10278 1 112 . ALA . 10278 1 113 . ASN . 10278 1 114 . SER . 10278 1 115 . THR . 10278 1 116 . PRO . 10278 1 117 . ALA . 10278 1 118 . PRO . 10278 1 119 . ALA . 10278 1 120 . GLY . 10278 1 121 . ALA . 10278 1 122 . THR . 10278 1 123 . VAL . 10278 1 124 . PRO . 10278 1 125 . SER . 10278 1 126 . GLY . 10278 1 127 . PRO . 10278 1 128 . SER . 10278 1 129 . SER . 10278 1 130 . GLY . 10278 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 10278 1 . SER 2 2 10278 1 . SER 3 3 10278 1 . GLY 4 4 10278 1 . SER 5 5 10278 1 . SER 6 6 10278 1 . GLY 7 7 10278 1 . LEU 8 8 10278 1 . VAL 9 9 10278 1 . ARG 10 10 10278 1 . GLY 11 11 10278 1 . GLY 12 12 10278 1 . TRP 13 13 10278 1 . LEU 14 14 10278 1 . TRP 15 15 10278 1 . ARG 16 16 10278 1 . GLN 17 17 10278 1 . SER 18 18 10278 1 . SER 19 19 10278 1 . ILE 20 20 10278 1 . LEU 21 21 10278 1 . ARG 22 22 10278 1 . ARG 23 23 10278 1 . TRP 24 24 10278 1 . LYS 25 25 10278 1 . ARG 26 26 10278 1 . ASN 27 27 10278 1 . TRP 28 28 10278 1 . PHE 29 29 10278 1 . ALA 30 30 10278 1 . LEU 31 31 10278 1 . TRP 32 32 10278 1 . LEU 33 33 10278 1 . ASP 34 34 10278 1 . GLY 35 35 10278 1 . THR 36 36 10278 1 . LEU 37 37 10278 1 . GLY 38 38 10278 1 . TYR 39 39 10278 1 . TYR 40 40 10278 1 . HIS 41 41 10278 1 . ASP 42 42 10278 1 . GLU 43 43 10278 1 . THR 44 44 10278 1 . ALA 45 45 10278 1 . GLN 46 46 10278 1 . ASP 47 47 10278 1 . GLU 48 48 10278 1 . GLU 49 49 10278 1 . ASP 50 50 10278 1 . ARG 51 51 10278 1 . VAL 52 52 10278 1 . VAL 53 53 10278 1 . ILE 54 54 10278 1 . HIS 55 55 10278 1 . PHE 56 56 10278 1 . ASN 57 57 10278 1 . VAL 58 58 10278 1 . ARG 59 59 10278 1 . ASP 60 60 10278 1 . ILE 61 61 10278 1 . LYS 62 62 10278 1 . VAL 63 63 10278 1 . GLY 64 64 10278 1 . GLN 65 65 10278 1 . GLU 66 66 10278 1 . CYS 67 67 10278 1 . GLN 68 68 10278 1 . ASP 69 69 10278 1 . VAL 70 70 10278 1 . GLN 71 71 10278 1 . PRO 72 72 10278 1 . PRO 73 73 10278 1 . GLU 74 74 10278 1 . GLY 75 75 10278 1 . ARG 76 76 10278 1 . SER 77 77 10278 1 . ARG 78 78 10278 1 . ASP 79 79 10278 1 . GLY 80 80 10278 1 . LEU 81 81 10278 1 . LEU 82 82 10278 1 . THR 83 83 10278 1 . VAL 84 84 10278 1 . ASN 85 85 10278 1 . LEU 86 86 10278 1 . ARG 87 87 10278 1 . GLU 88 88 10278 1 . GLY 89 89 10278 1 . SER 90 90 10278 1 . ARG 91 91 10278 1 . LEU 92 92 10278 1 . HIS 93 93 10278 1 . LEU 94 94 10278 1 . CYS 95 95 10278 1 . ALA 96 96 10278 1 . GLU 97 97 10278 1 . THR 98 98 10278 1 . ARG 99 99 10278 1 . ASP 100 100 10278 1 . ASP 101 101 10278 1 . ALA 102 102 10278 1 . ILE 103 103 10278 1 . ALA 104 104 10278 1 . TRP 105 105 10278 1 . LYS 106 106 10278 1 . THR 107 107 10278 1 . ALA 108 108 10278 1 . LEU 109 109 10278 1 . MET 110 110 10278 1 . GLU 111 111 10278 1 . ALA 112 112 10278 1 . ASN 113 113 10278 1 . SER 114 114 10278 1 . THR 115 115 10278 1 . PRO 116 116 10278 1 . ALA 117 117 10278 1 . PRO 118 118 10278 1 . ALA 119 119 10278 1 . GLY 120 120 10278 1 . ALA 121 121 10278 1 . THR 122 122 10278 1 . VAL 123 123 10278 1 . PRO 124 124 10278 1 . SER 125 125 10278 1 . GLY 126 126 10278 1 . PRO 127 127 10278 1 . SER 128 128 10278 1 . SER 129 129 10278 1 . GLY 130 130 10278 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 10278 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 10278 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 10278 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . plasmid . . P050302-02 . . . 10278 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10278 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.12 . . mM . . . . 10278 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10278 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10278 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10278 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10278 1 6 H2O . . . . . . solvent 90 . . % . . . . 10278 1 7 D2O . . . . . . solvent 10 . . % . . . . 10278 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 10278 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 10278 1 pH 7.0 0.05 pH 10278 1 pressure 1 0.001 atm 10278 1 temperature 296 0.1 K 10278 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10278 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10278 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 10278 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10278 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 20030801 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10278 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 10278 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10278 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version 5.0.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10278 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 10278 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10278 _Software.ID 4 _Software.Type . _Software.Name Kujira _Software.Version 0.932 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10278 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 10278 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10278 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version 2.0.17 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10278 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 10278 5 . 'structure solution' 10278 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 10278 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10278 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10278 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10278 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10278 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10278 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10278 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 10278 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . 10278 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 10278 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 10278 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10278 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10278 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.445 0.030 . 1 . . . . . 6 SER HA . 10278 1 2 . 1 1 6 6 SER HB2 H 1 3.798 0.030 . 1 . . . . . 6 SER HB2 . 10278 1 3 . 1 1 6 6 SER HB3 H 1 3.798 0.030 . 1 . . . . . 6 SER HB3 . 10278 1 4 . 1 1 6 6 SER C C 13 174.707 0.300 . 1 . . . . . 6 SER C . 10278 1 5 . 1 1 6 6 SER CA C 13 58.482 0.300 . 1 . . . . . 6 SER CA . 10278 1 6 . 1 1 6 6 SER CB C 13 63.848 0.300 . 1 . . . . . 6 SER CB . 10278 1 7 . 1 1 7 7 GLY H H 1 8.494 0.030 . 1 . . . . . 7 GLY H . 10278 1 8 . 1 1 7 7 GLY HA2 H 1 4.105 0.030 . 1 . . . . . 7 GLY HA2 . 10278 1 9 . 1 1 7 7 GLY HA3 H 1 4.105 0.030 . 1 . . . . . 7 GLY HA3 . 10278 1 10 . 1 1 7 7 GLY C C 13 172.961 0.300 . 1 . . . . . 7 GLY C . 10278 1 11 . 1 1 7 7 GLY CA C 13 45.864 0.300 . 1 . . . . . 7 GLY CA . 10278 1 12 . 1 1 7 7 GLY N N 15 110.325 0.300 . 1 . . . . . 7 GLY N . 10278 1 13 . 1 1 8 8 LEU H H 1 8.295 0.030 . 1 . . . . . 8 LEU H . 10278 1 14 . 1 1 8 8 LEU HA H 1 4.268 0.030 . 1 . . . . . 8 LEU HA . 10278 1 15 . 1 1 8 8 LEU HB2 H 1 1.827 0.030 . 2 . . . . . 8 LEU HB2 . 10278 1 16 . 1 1 8 8 LEU HB3 H 1 1.415 0.030 . 2 . . . . . 8 LEU HB3 . 10278 1 17 . 1 1 8 8 LEU HD11 H 1 0.200 0.030 . 1 . . . . . 8 LEU HD1 . 10278 1 18 . 1 1 8 8 LEU HD12 H 1 0.200 0.030 . 1 . . . . . 8 LEU HD1 . 10278 1 19 . 1 1 8 8 LEU HD13 H 1 0.200 0.030 . 1 . . . . . 8 LEU HD1 . 10278 1 20 . 1 1 8 8 LEU HD21 H 1 0.765 0.030 . 1 . . . . . 8 LEU HD2 . 10278 1 21 . 1 1 8 8 LEU HD22 H 1 0.765 0.030 . 1 . . . . . 8 LEU HD2 . 10278 1 22 . 1 1 8 8 LEU HD23 H 1 0.765 0.030 . 1 . . . . . 8 LEU HD2 . 10278 1 23 . 1 1 8 8 LEU HG H 1 0.936 0.030 . 1 . . . . . 8 LEU HG . 10278 1 24 . 1 1 8 8 LEU C C 13 176.773 0.300 . 1 . . . . . 8 LEU C . 10278 1 25 . 1 1 8 8 LEU CA C 13 55.587 0.300 . 1 . . . . . 8 LEU CA . 10278 1 26 . 1 1 8 8 LEU CB C 13 43.367 0.300 . 1 . . . . . 8 LEU CB . 10278 1 27 . 1 1 8 8 LEU CD1 C 13 24.139 0.300 . 2 . . . . . 8 LEU CD1 . 10278 1 28 . 1 1 8 8 LEU CD2 C 13 26.013 0.300 . 2 . . . . . 8 LEU CD2 . 10278 1 29 . 1 1 8 8 LEU CG C 13 27.192 0.300 . 1 . . . . . 8 LEU CG . 10278 1 30 . 1 1 8 8 LEU N N 15 123.800 0.300 . 1 . . . . . 8 LEU N . 10278 1 31 . 1 1 9 9 VAL H H 1 9.290 0.030 . 1 . . . . . 9 VAL H . 10278 1 32 . 1 1 9 9 VAL HA H 1 3.826 0.030 . 1 . . . . . 9 VAL HA . 10278 1 33 . 1 1 9 9 VAL HB H 1 1.605 0.030 . 1 . . . . . 9 VAL HB . 10278 1 34 . 1 1 9 9 VAL HG11 H 1 0.858 0.030 . 1 . . . . . 9 VAL HG1 . 10278 1 35 . 1 1 9 9 VAL HG12 H 1 0.858 0.030 . 1 . . . . . 9 VAL HG1 . 10278 1 36 . 1 1 9 9 VAL HG13 H 1 0.858 0.030 . 1 . . . . . 9 VAL HG1 . 10278 1 37 . 1 1 9 9 VAL HG21 H 1 0.865 0.030 . 1 . . . . . 9 VAL HG2 . 10278 1 38 . 1 1 9 9 VAL HG22 H 1 0.865 0.030 . 1 . . . . . 9 VAL HG2 . 10278 1 39 . 1 1 9 9 VAL HG23 H 1 0.865 0.030 . 1 . . . . . 9 VAL HG2 . 10278 1 40 . 1 1 9 9 VAL C C 13 176.540 0.300 . 1 . . . . . 9 VAL C . 10278 1 41 . 1 1 9 9 VAL CA C 13 64.888 0.300 . 1 . . . . . 9 VAL CA . 10278 1 42 . 1 1 9 9 VAL CB C 13 32.264 0.300 . 1 . . . . . 9 VAL CB . 10278 1 43 . 1 1 9 9 VAL CG1 C 13 20.995 0.300 . 2 . . . . . 9 VAL CG1 . 10278 1 44 . 1 1 9 9 VAL CG2 C 13 21.240 0.300 . 2 . . . . . 9 VAL CG2 . 10278 1 45 . 1 1 9 9 VAL N N 15 129.415 0.300 . 1 . . . . . 9 VAL N . 10278 1 46 . 1 1 10 10 ARG H H 1 7.135 0.030 . 1 . . . . . 10 ARG H . 10278 1 47 . 1 1 10 10 ARG HA H 1 4.126 0.030 . 1 . . . . . 10 ARG HA . 10278 1 48 . 1 1 10 10 ARG HB2 H 1 1.243 0.030 . 2 . . . . . 10 ARG HB2 . 10278 1 49 . 1 1 10 10 ARG HB3 H 1 0.745 0.030 . 2 . . . . . 10 ARG HB3 . 10278 1 50 . 1 1 10 10 ARG HD2 H 1 2.264 0.030 . 2 . . . . . 10 ARG HD2 . 10278 1 51 . 1 1 10 10 ARG HD3 H 1 1.008 0.030 . 2 . . . . . 10 ARG HD3 . 10278 1 52 . 1 1 10 10 ARG HE H 1 3.555 0.030 . 1 . . . . . 10 ARG HE . 10278 1 53 . 1 1 10 10 ARG HG2 H 1 0.025 0.030 . 2 . . . . . 10 ARG HG2 . 10278 1 54 . 1 1 10 10 ARG HG3 H 1 0.926 0.030 . 2 . . . . . 10 ARG HG3 . 10278 1 55 . 1 1 10 10 ARG C C 13 171.942 0.300 . 1 . . . . . 10 ARG C . 10278 1 56 . 1 1 10 10 ARG CA C 13 55.800 0.300 . 1 . . . . . 10 ARG CA . 10278 1 57 . 1 1 10 10 ARG CB C 13 32.223 0.300 . 1 . . . . . 10 ARG CB . 10278 1 58 . 1 1 10 10 ARG CD C 13 42.709 0.300 . 1 . . . . . 10 ARG CD . 10278 1 59 . 1 1 10 10 ARG CG C 13 27.246 0.300 . 1 . . . . . 10 ARG CG . 10278 1 60 . 1 1 10 10 ARG N N 15 117.246 0.300 . 1 . . . . . 10 ARG N . 10278 1 61 . 1 1 10 10 ARG NE N 15 81.233 0.300 . 1 . . . . . 10 ARG NE . 10278 1 62 . 1 1 11 11 GLY H H 1 8.390 0.030 . 1 . . . . . 11 GLY H . 10278 1 63 . 1 1 11 11 GLY HA2 H 1 3.204 0.030 . 2 . . . . . 11 GLY HA2 . 10278 1 64 . 1 1 11 11 GLY HA3 H 1 5.336 0.030 . 2 . . . . . 11 GLY HA3 . 10278 1 65 . 1 1 11 11 GLY C C 13 172.895 0.300 . 1 . . . . . 11 GLY C . 10278 1 66 . 1 1 11 11 GLY CA C 13 43.481 0.300 . 1 . . . . . 11 GLY CA . 10278 1 67 . 1 1 11 11 GLY N N 15 113.527 0.300 . 1 . . . . . 11 GLY N . 10278 1 68 . 1 1 12 12 GLY H H 1 7.935 0.030 . 1 . . . . . 12 GLY H . 10278 1 69 . 1 1 12 12 GLY C C 13 171.502 0.300 . 1 . . . . . 12 GLY C . 10278 1 70 . 1 1 12 12 GLY CA C 13 46.093 0.300 . 1 . . . . . 12 GLY CA . 10278 1 71 . 1 1 13 13 TRP H H 1 8.904 0.030 . 1 . . . . . 13 TRP H . 10278 1 72 . 1 1 13 13 TRP HA H 1 5.205 0.030 . 1 . . . . . 13 TRP HA . 10278 1 73 . 1 1 13 13 TRP HB2 H 1 3.175 0.030 . 2 . . . . . 13 TRP HB2 . 10278 1 74 . 1 1 13 13 TRP HB3 H 1 2.975 0.030 . 2 . . . . . 13 TRP HB3 . 10278 1 75 . 1 1 13 13 TRP HD1 H 1 7.615 0.030 . 1 . . . . . 13 TRP HD1 . 10278 1 76 . 1 1 13 13 TRP HE1 H 1 10.505 0.030 . 1 . . . . . 13 TRP HE1 . 10278 1 77 . 1 1 13 13 TRP HE3 H 1 7.303 0.030 . 1 . . . . . 13 TRP HE3 . 10278 1 78 . 1 1 13 13 TRP HH2 H 1 7.394 0.030 . 1 . . . . . 13 TRP HH2 . 10278 1 79 . 1 1 13 13 TRP HZ2 H 1 7.683 0.030 . 1 . . . . . 13 TRP HZ2 . 10278 1 80 . 1 1 13 13 TRP HZ3 H 1 6.892 0.030 . 1 . . . . . 13 TRP HZ3 . 10278 1 81 . 1 1 13 13 TRP C C 13 177.926 0.300 . 1 . . . . . 13 TRP C . 10278 1 82 . 1 1 13 13 TRP CA C 13 57.846 0.300 . 1 . . . . . 13 TRP CA . 10278 1 83 . 1 1 13 13 TRP CB C 13 30.290 0.300 . 1 . . . . . 13 TRP CB . 10278 1 84 . 1 1 13 13 TRP CD1 C 13 127.566 0.300 . 1 . . . . . 13 TRP CD1 . 10278 1 85 . 1 1 13 13 TRP CE3 C 13 120.215 0.300 . 1 . . . . . 13 TRP CE3 . 10278 1 86 . 1 1 13 13 TRP CH2 C 13 124.642 0.300 . 1 . . . . . 13 TRP CH2 . 10278 1 87 . 1 1 13 13 TRP CZ2 C 13 114.580 0.300 . 1 . . . . . 13 TRP CZ2 . 10278 1 88 . 1 1 13 13 TRP CZ3 C 13 121.818 0.300 . 1 . . . . . 13 TRP CZ3 . 10278 1 89 . 1 1 13 13 TRP N N 15 121.758 0.300 . 1 . . . . . 13 TRP N . 10278 1 90 . 1 1 13 13 TRP NE1 N 15 130.205 0.300 . 1 . . . . . 13 TRP NE1 . 10278 1 91 . 1 1 14 14 LEU H H 1 9.295 0.030 . 1 . . . . . 14 LEU H . 10278 1 92 . 1 1 14 14 LEU HA H 1 4.683 0.030 . 1 . . . . . 14 LEU HA . 10278 1 93 . 1 1 14 14 LEU HB2 H 1 1.204 0.030 . 2 . . . . . 14 LEU HB2 . 10278 1 94 . 1 1 14 14 LEU HB3 H 1 0.856 0.030 . 2 . . . . . 14 LEU HB3 . 10278 1 95 . 1 1 14 14 LEU HD11 H 1 -1.234 0.030 . 1 . . . . . 14 LEU HD1 . 10278 1 96 . 1 1 14 14 LEU HD12 H 1 -1.234 0.030 . 1 . . . . . 14 LEU HD1 . 10278 1 97 . 1 1 14 14 LEU HD13 H 1 -1.234 0.030 . 1 . . . . . 14 LEU HD1 . 10278 1 98 . 1 1 14 14 LEU HD21 H 1 0.625 0.030 . 1 . . . . . 14 LEU HD2 . 10278 1 99 . 1 1 14 14 LEU HD22 H 1 0.625 0.030 . 1 . . . . . 14 LEU HD2 . 10278 1 100 . 1 1 14 14 LEU HD23 H 1 0.625 0.030 . 1 . . . . . 14 LEU HD2 . 10278 1 101 . 1 1 14 14 LEU HG H 1 0.855 0.030 . 1 . . . . . 14 LEU HG . 10278 1 102 . 1 1 14 14 LEU C C 13 175.828 0.300 . 1 . . . . . 14 LEU C . 10278 1 103 . 1 1 14 14 LEU CA C 13 54.670 0.300 . 1 . . . . . 14 LEU CA . 10278 1 104 . 1 1 14 14 LEU CB C 13 47.562 0.300 . 1 . . . . . 14 LEU CB . 10278 1 105 . 1 1 14 14 LEU CD1 C 13 23.245 0.300 . 2 . . . . . 14 LEU CD1 . 10278 1 106 . 1 1 14 14 LEU CD2 C 13 23.940 0.300 . 2 . . . . . 14 LEU CD2 . 10278 1 107 . 1 1 14 14 LEU CG C 13 26.342 0.300 . 1 . . . . . 14 LEU CG . 10278 1 108 . 1 1 14 14 LEU N N 15 123.447 0.300 . 1 . . . . . 14 LEU N . 10278 1 109 . 1 1 15 15 TRP H H 1 8.655 0.030 . 1 . . . . . 15 TRP H . 10278 1 110 . 1 1 15 15 TRP HA H 1 5.315 0.030 . 1 . . . . . 15 TRP HA . 10278 1 111 . 1 1 15 15 TRP HB2 H 1 3.355 0.030 . 2 . . . . . 15 TRP HB2 . 10278 1 112 . 1 1 15 15 TRP HB3 H 1 3.024 0.030 . 2 . . . . . 15 TRP HB3 . 10278 1 113 . 1 1 15 15 TRP HD1 H 1 6.965 0.030 . 1 . . . . . 15 TRP HD1 . 10278 1 114 . 1 1 15 15 TRP HE1 H 1 10.378 0.030 . 1 . . . . . 15 TRP HE1 . 10278 1 115 . 1 1 15 15 TRP HE3 H 1 7.419 0.030 . 1 . . . . . 15 TRP HE3 . 10278 1 116 . 1 1 15 15 TRP HH2 H 1 7.164 0.030 . 1 . . . . . 15 TRP HH2 . 10278 1 117 . 1 1 15 15 TRP HZ2 H 1 7.362 0.030 . 1 . . . . . 15 TRP HZ2 . 10278 1 118 . 1 1 15 15 TRP HZ3 H 1 7.020 0.030 . 1 . . . . . 15 TRP HZ3 . 10278 1 119 . 1 1 15 15 TRP C C 13 175.899 0.300 . 1 . . . . . 15 TRP C . 10278 1 120 . 1 1 15 15 TRP CA C 13 57.159 0.300 . 1 . . . . . 15 TRP CA . 10278 1 121 . 1 1 15 15 TRP CB C 13 30.759 0.300 . 1 . . . . . 15 TRP CB . 10278 1 122 . 1 1 15 15 TRP CD1 C 13 126.485 0.300 . 1 . . . . . 15 TRP CD1 . 10278 1 123 . 1 1 15 15 TRP CE3 C 13 119.830 0.300 . 1 . . . . . 15 TRP CE3 . 10278 1 124 . 1 1 15 15 TRP CH2 C 13 124.593 0.300 . 1 . . . . . 15 TRP CH2 . 10278 1 125 . 1 1 15 15 TRP CZ2 C 13 114.289 0.300 . 1 . . . . . 15 TRP CZ2 . 10278 1 126 . 1 1 15 15 TRP CZ3 C 13 121.766 0.300 . 1 . . . . . 15 TRP CZ3 . 10278 1 127 . 1 1 15 15 TRP N N 15 119.571 0.300 . 1 . . . . . 15 TRP N . 10278 1 128 . 1 1 15 15 TRP NE1 N 15 130.130 0.300 . 1 . . . . . 15 TRP NE1 . 10278 1 129 . 1 1 16 16 ARG H H 1 10.145 0.030 . 1 . . . . . 16 ARG H . 10278 1 130 . 1 1 16 16 ARG HA H 1 5.495 0.030 . 1 . . . . . 16 ARG HA . 10278 1 131 . 1 1 16 16 ARG HB2 H 1 1.928 0.030 . 2 . . . . . 16 ARG HB2 . 10278 1 132 . 1 1 16 16 ARG HB3 H 1 1.563 0.030 . 2 . . . . . 16 ARG HB3 . 10278 1 133 . 1 1 16 16 ARG HD2 H 1 2.676 0.030 . 2 . . . . . 16 ARG HD2 . 10278 1 134 . 1 1 16 16 ARG HD3 H 1 2.043 0.030 . 2 . . . . . 16 ARG HD3 . 10278 1 135 . 1 1 16 16 ARG HE H 1 7.119 0.030 . 1 . . . . . 16 ARG HE . 10278 1 136 . 1 1 16 16 ARG HG2 H 1 1.336 0.030 . 1 . . . . . 16 ARG HG2 . 10278 1 137 . 1 1 16 16 ARG HG3 H 1 1.336 0.030 . 1 . . . . . 16 ARG HG3 . 10278 1 138 . 1 1 16 16 ARG C C 13 174.930 0.300 . 1 . . . . . 16 ARG C . 10278 1 139 . 1 1 16 16 ARG CA C 13 54.334 0.300 . 1 . . . . . 16 ARG CA . 10278 1 140 . 1 1 16 16 ARG CB C 13 34.808 0.300 . 1 . . . . . 16 ARG CB . 10278 1 141 . 1 1 16 16 ARG CD C 13 42.503 0.300 . 1 . . . . . 16 ARG CD . 10278 1 142 . 1 1 16 16 ARG CG C 13 27.082 0.300 . 1 . . . . . 16 ARG CG . 10278 1 143 . 1 1 16 16 ARG N N 15 121.997 0.300 . 1 . . . . . 16 ARG N . 10278 1 144 . 1 1 16 16 ARG NE N 15 84.530 0.300 . 1 . . . . . 16 ARG NE . 10278 1 145 . 1 1 17 17 GLN H H 1 8.233 0.030 . 1 . . . . . 17 GLN H . 10278 1 146 . 1 1 17 17 GLN HA H 1 3.797 0.030 . 1 . . . . . 17 GLN HA . 10278 1 147 . 1 1 17 17 GLN HB2 H 1 1.377 0.030 . 2 . . . . . 17 GLN HB2 . 10278 1 148 . 1 1 17 17 GLN HB3 H 1 -0.217 0.030 . 2 . . . . . 17 GLN HB3 . 10278 1 149 . 1 1 17 17 GLN HE21 H 1 5.888 0.030 . 2 . . . . . 17 GLN HE21 . 10278 1 150 . 1 1 17 17 GLN HE22 H 1 6.569 0.030 . 2 . . . . . 17 GLN HE22 . 10278 1 151 . 1 1 17 17 GLN HG2 H 1 1.111 0.030 . 2 . . . . . 17 GLN HG2 . 10278 1 152 . 1 1 17 17 GLN HG3 H 1 0.575 0.030 . 2 . . . . . 17 GLN HG3 . 10278 1 153 . 1 1 17 17 GLN C C 13 175.654 0.300 . 1 . . . . . 17 GLN C . 10278 1 154 . 1 1 17 17 GLN CA C 13 55.446 0.300 . 1 . . . . . 17 GLN CA . 10278 1 155 . 1 1 17 17 GLN CB C 13 29.056 0.300 . 1 . . . . . 17 GLN CB . 10278 1 156 . 1 1 17 17 GLN CG C 13 34.073 0.300 . 1 . . . . . 17 GLN CG . 10278 1 157 . 1 1 17 17 GLN N N 15 128.414 0.300 . 1 . . . . . 17 GLN N . 10278 1 158 . 1 1 17 17 GLN NE2 N 15 109.129 0.300 . 1 . . . . . 17 GLN NE2 . 10278 1 159 . 1 1 18 18 SER H H 1 8.635 0.030 . 1 . . . . . 18 SER H . 10278 1 160 . 1 1 18 18 SER HA H 1 4.575 0.030 . 1 . . . . . 18 SER HA . 10278 1 161 . 1 1 18 18 SER HB2 H 1 4.055 0.030 . 2 . . . . . 18 SER HB2 . 10278 1 162 . 1 1 18 18 SER HB3 H 1 3.915 0.030 . 2 . . . . . 18 SER HB3 . 10278 1 163 . 1 1 18 18 SER C C 13 175.585 0.300 . 1 . . . . . 18 SER C . 10278 1 164 . 1 1 18 18 SER CA C 13 57.246 0.300 . 1 . . . . . 18 SER CA . 10278 1 165 . 1 1 18 18 SER CB C 13 64.012 0.300 . 1 . . . . . 18 SER CB . 10278 1 166 . 1 1 18 18 SER N N 15 122.600 0.300 . 1 . . . . . 18 SER N . 10278 1 167 . 1 1 20 20 ILE H H 1 7.976 0.030 . 1 . . . . . 20 ILE H . 10278 1 168 . 1 1 20 20 ILE HA H 1 4.036 0.030 . 1 . . . . . 20 ILE HA . 10278 1 169 . 1 1 20 20 ILE HB H 1 1.875 0.030 . 1 . . . . . 20 ILE HB . 10278 1 170 . 1 1 20 20 ILE HD11 H 1 0.863 0.030 . 1 . . . . . 20 ILE HD1 . 10278 1 171 . 1 1 20 20 ILE HD12 H 1 0.863 0.030 . 1 . . . . . 20 ILE HD1 . 10278 1 172 . 1 1 20 20 ILE HD13 H 1 0.863 0.030 . 1 . . . . . 20 ILE HD1 . 10278 1 173 . 1 1 20 20 ILE HG12 H 1 1.195 0.030 . 2 . . . . . 20 ILE HG12 . 10278 1 174 . 1 1 20 20 ILE HG13 H 1 1.519 0.030 . 2 . . . . . 20 ILE HG13 . 10278 1 175 . 1 1 20 20 ILE HG21 H 1 0.896 0.030 . 1 . . . . . 20 ILE HG2 . 10278 1 176 . 1 1 20 20 ILE HG22 H 1 0.896 0.030 . 1 . . . . . 20 ILE HG2 . 10278 1 177 . 1 1 20 20 ILE HG23 H 1 0.896 0.030 . 1 . . . . . 20 ILE HG2 . 10278 1 178 . 1 1 20 20 ILE C C 13 176.929 0.300 . 1 . . . . . 20 ILE C . 10278 1 179 . 1 1 20 20 ILE CA C 13 62.929 0.300 . 1 . . . . . 20 ILE CA . 10278 1 180 . 1 1 20 20 ILE CB C 13 37.912 0.300 . 1 . . . . . 20 ILE CB . 10278 1 181 . 1 1 20 20 ILE CD1 C 13 12.440 0.300 . 1 . . . . . 20 ILE CD1 . 10278 1 182 . 1 1 20 20 ILE CG1 C 13 27.845 0.300 . 1 . . . . . 20 ILE CG1 . 10278 1 183 . 1 1 20 20 ILE CG2 C 13 17.376 0.300 . 1 . . . . . 20 ILE CG2 . 10278 1 184 . 1 1 20 20 ILE N N 15 120.700 0.300 . 1 . . . . . 20 ILE N . 10278 1 185 . 1 1 21 21 LEU H H 1 8.089 0.030 . 1 . . . . . 21 LEU H . 10278 1 186 . 1 1 21 21 LEU HA H 1 4.159 0.030 . 1 . . . . . 21 LEU HA . 10278 1 187 . 1 1 21 21 LEU HB2 H 1 1.537 0.030 . 2 . . . . . 21 LEU HB2 . 10278 1 188 . 1 1 21 21 LEU HB3 H 1 1.614 0.030 . 2 . . . . . 21 LEU HB3 . 10278 1 189 . 1 1 21 21 LEU HD11 H 1 0.921 0.030 . 1 . . . . . 21 LEU HD1 . 10278 1 190 . 1 1 21 21 LEU HD12 H 1 0.921 0.030 . 1 . . . . . 21 LEU HD1 . 10278 1 191 . 1 1 21 21 LEU HD13 H 1 0.921 0.030 . 1 . . . . . 21 LEU HD1 . 10278 1 192 . 1 1 21 21 LEU HD21 H 1 0.865 0.030 . 1 . . . . . 21 LEU HD2 . 10278 1 193 . 1 1 21 21 LEU HD22 H 1 0.865 0.030 . 1 . . . . . 21 LEU HD2 . 10278 1 194 . 1 1 21 21 LEU HD23 H 1 0.865 0.030 . 1 . . . . . 21 LEU HD2 . 10278 1 195 . 1 1 21 21 LEU HG H 1 1.627 0.030 . 1 . . . . . 21 LEU HG . 10278 1 196 . 1 1 21 21 LEU C C 13 176.455 0.300 . 1 . . . . . 21 LEU C . 10278 1 197 . 1 1 21 21 LEU CA C 13 55.287 0.300 . 1 . . . . . 21 LEU CA . 10278 1 198 . 1 1 21 21 LEU CB C 13 42.051 0.300 . 1 . . . . . 21 LEU CB . 10278 1 199 . 1 1 21 21 LEU CD1 C 13 25.215 0.300 . 2 . . . . . 21 LEU CD1 . 10278 1 200 . 1 1 21 21 LEU CD2 C 13 22.480 0.300 . 2 . . . . . 21 LEU CD2 . 10278 1 201 . 1 1 21 21 LEU CG C 13 27.164 0.300 . 1 . . . . . 21 LEU CG . 10278 1 202 . 1 1 21 21 LEU N N 15 119.540 0.300 . 1 . . . . . 21 LEU N . 10278 1 203 . 1 1 22 22 ARG H H 1 7.687 0.030 . 1 . . . . . 22 ARG H . 10278 1 204 . 1 1 22 22 ARG HA H 1 3.806 0.030 . 1 . . . . . 22 ARG HA . 10278 1 205 . 1 1 22 22 ARG HB2 H 1 1.415 0.030 . 2 . . . . . 22 ARG HB2 . 10278 1 206 . 1 1 22 22 ARG HB3 H 1 1.493 0.030 . 2 . . . . . 22 ARG HB3 . 10278 1 207 . 1 1 22 22 ARG HD2 H 1 3.119 0.030 . 1 . . . . . 22 ARG HD2 . 10278 1 208 . 1 1 22 22 ARG HD3 H 1 3.119 0.030 . 1 . . . . . 22 ARG HD3 . 10278 1 209 . 1 1 22 22 ARG HG2 H 1 1.746 0.030 . 2 . . . . . 22 ARG HG2 . 10278 1 210 . 1 1 22 22 ARG HG3 H 1 1.945 0.030 . 2 . . . . . 22 ARG HG3 . 10278 1 211 . 1 1 22 22 ARG C C 13 175.087 0.300 . 1 . . . . . 22 ARG C . 10278 1 212 . 1 1 22 22 ARG CA C 13 56.788 0.300 . 1 . . . . . 22 ARG CA . 10278 1 213 . 1 1 22 22 ARG CB C 13 27.130 0.300 . 1 . . . . . 22 ARG CB . 10278 1 214 . 1 1 22 22 ARG CD C 13 43.532 0.300 . 1 . . . . . 22 ARG CD . 10278 1 215 . 1 1 22 22 ARG CG C 13 27.192 0.300 . 1 . . . . . 22 ARG CG . 10278 1 216 . 1 1 22 22 ARG N N 15 114.383 0.300 . 1 . . . . . 22 ARG N . 10278 1 217 . 1 1 23 23 ARG H H 1 7.392 0.030 . 1 . . . . . 23 ARG H . 10278 1 218 . 1 1 23 23 ARG HA H 1 4.603 0.030 . 1 . . . . . 23 ARG HA . 10278 1 219 . 1 1 23 23 ARG HB2 H 1 1.945 0.030 . 2 . . . . . 23 ARG HB2 . 10278 1 220 . 1 1 23 23 ARG HB3 H 1 1.738 0.030 . 2 . . . . . 23 ARG HB3 . 10278 1 221 . 1 1 23 23 ARG HD2 H 1 3.245 0.030 . 1 . . . . . 23 ARG HD2 . 10278 1 222 . 1 1 23 23 ARG HD3 H 1 3.245 0.030 . 1 . . . . . 23 ARG HD3 . 10278 1 223 . 1 1 23 23 ARG HG2 H 1 1.604 0.030 . 1 . . . . . 23 ARG HG2 . 10278 1 224 . 1 1 23 23 ARG HG3 H 1 1.604 0.030 . 1 . . . . . 23 ARG HG3 . 10278 1 225 . 1 1 23 23 ARG C C 13 176.112 0.300 . 1 . . . . . 23 ARG C . 10278 1 226 . 1 1 23 23 ARG CA C 13 54.846 0.300 . 1 . . . . . 23 ARG CA . 10278 1 227 . 1 1 23 23 ARG CB C 13 32.387 0.300 . 1 . . . . . 23 ARG CB . 10278 1 228 . 1 1 23 23 ARG CD C 13 43.696 0.300 . 1 . . . . . 23 ARG CD . 10278 1 229 . 1 1 23 23 ARG CG C 13 26.871 0.300 . 1 . . . . . 23 ARG CG . 10278 1 230 . 1 1 23 23 ARG N N 15 115.846 0.300 . 1 . . . . . 23 ARG N . 10278 1 231 . 1 1 24 24 TRP H H 1 9.013 0.030 . 1 . . . . . 24 TRP H . 10278 1 232 . 1 1 24 24 TRP HA H 1 5.154 0.030 . 1 . . . . . 24 TRP HA . 10278 1 233 . 1 1 24 24 TRP HB2 H 1 3.265 0.030 . 2 . . . . . 24 TRP HB2 . 10278 1 234 . 1 1 24 24 TRP HB3 H 1 3.205 0.030 . 2 . . . . . 24 TRP HB3 . 10278 1 235 . 1 1 24 24 TRP HD1 H 1 7.314 0.030 . 1 . . . . . 24 TRP HD1 . 10278 1 236 . 1 1 24 24 TRP HE1 H 1 9.860 0.030 . 1 . . . . . 24 TRP HE1 . 10278 1 237 . 1 1 24 24 TRP HE3 H 1 7.445 0.030 . 1 . . . . . 24 TRP HE3 . 10278 1 238 . 1 1 24 24 TRP HH2 H 1 6.618 0.030 . 1 . . . . . 24 TRP HH2 . 10278 1 239 . 1 1 24 24 TRP HZ2 H 1 7.262 0.030 . 1 . . . . . 24 TRP HZ2 . 10278 1 240 . 1 1 24 24 TRP HZ3 H 1 6.760 0.030 . 1 . . . . . 24 TRP HZ3 . 10278 1 241 . 1 1 24 24 TRP C C 13 176.347 0.300 . 1 . . . . . 24 TRP C . 10278 1 242 . 1 1 24 24 TRP CA C 13 57.546 0.300 . 1 . . . . . 24 TRP CA . 10278 1 243 . 1 1 24 24 TRP CB C 13 31.112 0.300 . 1 . . . . . 24 TRP CB . 10278 1 244 . 1 1 24 24 TRP CD1 C 13 127.910 0.300 . 1 . . . . . 24 TRP CD1 . 10278 1 245 . 1 1 24 24 TRP CE3 C 13 120.277 0.300 . 1 . . . . . 24 TRP CE3 . 10278 1 246 . 1 1 24 24 TRP CH2 C 13 123.212 0.300 . 1 . . . . . 24 TRP CH2 . 10278 1 247 . 1 1 24 24 TRP CZ2 C 13 115.734 0.300 . 1 . . . . . 24 TRP CZ2 . 10278 1 248 . 1 1 24 24 TRP CZ3 C 13 123.086 0.300 . 1 . . . . . 24 TRP CZ3 . 10278 1 249 . 1 1 24 24 TRP N N 15 123.861 0.300 . 1 . . . . . 24 TRP N . 10278 1 250 . 1 1 24 24 TRP NE1 N 15 130.844 0.300 . 1 . . . . . 24 TRP NE1 . 10278 1 251 . 1 1 25 25 LYS H H 1 9.553 0.030 . 1 . . . . . 25 LYS H . 10278 1 252 . 1 1 25 25 LYS HA H 1 4.992 0.030 . 1 . . . . . 25 LYS HA . 10278 1 253 . 1 1 25 25 LYS HB2 H 1 1.945 0.030 . 2 . . . . . 25 LYS HB2 . 10278 1 254 . 1 1 25 25 LYS HB3 H 1 1.885 0.030 . 2 . . . . . 25 LYS HB3 . 10278 1 255 . 1 1 25 25 LYS HD2 H 1 1.816 0.030 . 2 . . . . . 25 LYS HD2 . 10278 1 256 . 1 1 25 25 LYS HD3 H 1 1.754 0.030 . 2 . . . . . 25 LYS HD3 . 10278 1 257 . 1 1 25 25 LYS HE2 H 1 3.040 0.030 . 2 . . . . . 25 LYS HE2 . 10278 1 258 . 1 1 25 25 LYS HE3 H 1 3.113 0.030 . 2 . . . . . 25 LYS HE3 . 10278 1 259 . 1 1 25 25 LYS HG2 H 1 1.446 0.030 . 2 . . . . . 25 LYS HG2 . 10278 1 260 . 1 1 25 25 LYS HG3 H 1 1.564 0.030 . 2 . . . . . 25 LYS HG3 . 10278 1 261 . 1 1 25 25 LYS C C 13 173.887 0.300 . 1 . . . . . 25 LYS C . 10278 1 262 . 1 1 25 25 LYS CA C 13 55.023 0.300 . 1 . . . . . 25 LYS CA . 10278 1 263 . 1 1 25 25 LYS CB C 13 35.965 0.300 . 1 . . . . . 25 LYS CB . 10278 1 264 . 1 1 25 25 LYS CD C 13 29.320 0.300 . 1 . . . . . 25 LYS CD . 10278 1 265 . 1 1 25 25 LYS CE C 13 41.805 0.300 . 1 . . . . . 25 LYS CE . 10278 1 266 . 1 1 25 25 LYS CG C 13 24.121 0.300 . 1 . . . . . 25 LYS CG . 10278 1 267 . 1 1 25 25 LYS N N 15 123.241 0.300 . 1 . . . . . 25 LYS N . 10278 1 268 . 1 1 26 26 ARG H H 1 8.705 0.030 . 1 . . . . . 26 ARG H . 10278 1 269 . 1 1 26 26 ARG HA H 1 4.494 0.030 . 1 . . . . . 26 ARG HA . 10278 1 270 . 1 1 26 26 ARG HB2 H 1 1.385 0.030 . 1 . . . . . 26 ARG HB2 . 10278 1 271 . 1 1 26 26 ARG HB3 H 1 1.385 0.030 . 1 . . . . . 26 ARG HB3 . 10278 1 272 . 1 1 26 26 ARG HD2 H 1 2.306 0.030 . 1 . . . . . 26 ARG HD2 . 10278 1 273 . 1 1 26 26 ARG HD3 H 1 2.306 0.030 . 1 . . . . . 26 ARG HD3 . 10278 1 274 . 1 1 26 26 ARG HG2 H 1 0.346 0.030 . 2 . . . . . 26 ARG HG2 . 10278 1 275 . 1 1 26 26 ARG HG3 H 1 0.775 0.030 . 2 . . . . . 26 ARG HG3 . 10278 1 276 . 1 1 26 26 ARG C C 13 175.755 0.300 . 1 . . . . . 26 ARG C . 10278 1 277 . 1 1 26 26 ARG CA C 13 56.046 0.300 . 1 . . . . . 26 ARG CA . 10278 1 278 . 1 1 26 26 ARG CB C 13 30.783 0.300 . 1 . . . . . 26 ARG CB . 10278 1 279 . 1 1 26 26 ARG CD C 13 43.132 0.300 . 1 . . . . . 26 ARG CD . 10278 1 280 . 1 1 26 26 ARG CG C 13 27.753 0.300 . 1 . . . . . 26 ARG CG . 10278 1 281 . 1 1 26 26 ARG N N 15 124.843 0.300 . 1 . . . . . 26 ARG N . 10278 1 282 . 1 1 27 27 ASN H H 1 9.100 0.030 . 1 . . . . . 27 ASN H . 10278 1 283 . 1 1 27 27 ASN HA H 1 5.235 0.030 . 1 . . . . . 27 ASN HA . 10278 1 284 . 1 1 27 27 ASN HB2 H 1 2.731 0.030 . 2 . . . . . 27 ASN HB2 . 10278 1 285 . 1 1 27 27 ASN HB3 H 1 2.201 0.030 . 2 . . . . . 27 ASN HB3 . 10278 1 286 . 1 1 27 27 ASN HD21 H 1 7.555 0.030 . 2 . . . . . 27 ASN HD21 . 10278 1 287 . 1 1 27 27 ASN HD22 H 1 6.735 0.030 . 2 . . . . . 27 ASN HD22 . 10278 1 288 . 1 1 27 27 ASN CA C 13 54.041 0.300 . 1 . . . . . 27 ASN CA . 10278 1 289 . 1 1 27 27 ASN CB C 13 46.737 0.300 . 1 . . . . . 27 ASN CB . 10278 1 290 . 1 1 27 27 ASN N N 15 123.044 0.300 . 1 . . . . . 27 ASN N . 10278 1 291 . 1 1 27 27 ASN ND2 N 15 107.626 0.300 . 1 . . . . . 27 ASN ND2 . 10278 1 292 . 1 1 28 28 TRP H H 1 7.835 0.030 . 1 . . . . . 28 TRP H . 10278 1 293 . 1 1 28 28 TRP HA H 1 4.105 0.030 . 1 . . . . . 28 TRP HA . 10278 1 294 . 1 1 28 28 TRP HB2 H 1 2.365 0.030 . 2 . . . . . 28 TRP HB2 . 10278 1 295 . 1 1 28 28 TRP HH2 H 1 6.874 0.030 . 1 . . . . . 28 TRP HH2 . 10278 1 296 . 1 1 28 28 TRP HZ2 H 1 7.165 0.030 . 1 . . . . . 28 TRP HZ2 . 10278 1 297 . 1 1 28 28 TRP CH2 C 13 124.050 0.300 . 1 . . . . . 28 TRP CH2 . 10278 1 298 . 1 1 28 28 TRP CZ2 C 13 113.414 0.300 . 1 . . . . . 28 TRP CZ2 . 10278 1 299 . 1 1 28 28 TRP N N 15 122.540 0.300 . 1 . . . . . 28 TRP N . 10278 1 300 . 1 1 29 29 PHE H H 1 8.755 0.030 . 1 . . . . . 29 PHE H . 10278 1 301 . 1 1 29 29 PHE HA H 1 5.001 0.030 . 1 . . . . . 29 PHE HA . 10278 1 302 . 1 1 29 29 PHE HB2 H 1 2.153 0.030 . 2 . . . . . 29 PHE HB2 . 10278 1 303 . 1 1 29 29 PHE HB3 H 1 2.671 0.030 . 2 . . . . . 29 PHE HB3 . 10278 1 304 . 1 1 29 29 PHE HD1 H 1 6.897 0.030 . 1 . . . . . 29 PHE HD1 . 10278 1 305 . 1 1 29 29 PHE HD2 H 1 6.897 0.030 . 1 . . . . . 29 PHE HD2 . 10278 1 306 . 1 1 29 29 PHE HE1 H 1 6.745 0.030 . 1 . . . . . 29 PHE HE1 . 10278 1 307 . 1 1 29 29 PHE HE2 H 1 6.745 0.030 . 1 . . . . . 29 PHE HE2 . 10278 1 308 . 1 1 29 29 PHE HZ H 1 6.305 0.030 . 1 . . . . . 29 PHE HZ . 10278 1 309 . 1 1 29 29 PHE CA C 13 56.692 0.300 . 1 . . . . . 29 PHE CA . 10278 1 310 . 1 1 29 29 PHE CB C 13 42.284 0.300 . 1 . . . . . 29 PHE CB . 10278 1 311 . 1 1 29 29 PHE CD1 C 13 131.506 0.300 . 1 . . . . . 29 PHE CD1 . 10278 1 312 . 1 1 29 29 PHE CD2 C 13 131.506 0.300 . 1 . . . . . 29 PHE CD2 . 10278 1 313 . 1 1 29 29 PHE CE1 C 13 130.668 0.300 . 1 . . . . . 29 PHE CE1 . 10278 1 314 . 1 1 29 29 PHE CE2 C 13 130.668 0.300 . 1 . . . . . 29 PHE CE2 . 10278 1 315 . 1 1 29 29 PHE CZ C 13 128.990 0.300 . 1 . . . . . 29 PHE CZ . 10278 1 316 . 1 1 29 29 PHE N N 15 129.716 0.300 . 1 . . . . . 29 PHE N . 10278 1 317 . 1 1 30 30 ALA H H 1 8.695 0.030 . 1 . . . . . 30 ALA H . 10278 1 318 . 1 1 30 30 ALA HB1 H 1 0.385 0.030 . 1 . . . . . 30 ALA HB . 10278 1 319 . 1 1 30 30 ALA HB2 H 1 0.385 0.030 . 1 . . . . . 30 ALA HB . 10278 1 320 . 1 1 30 30 ALA HB3 H 1 0.385 0.030 . 1 . . . . . 30 ALA HB . 10278 1 321 . 1 1 30 30 ALA C C 13 173.958 0.300 . 1 . . . . . 30 ALA C . 10278 1 322 . 1 1 30 30 ALA CA C 13 50.611 0.300 . 1 . . . . . 30 ALA CA . 10278 1 323 . 1 1 30 30 ALA CB C 13 22.570 0.300 . 1 . . . . . 30 ALA CB . 10278 1 324 . 1 1 31 31 LEU H H 1 8.815 0.030 . 1 . . . . . 31 LEU H . 10278 1 325 . 1 1 31 31 LEU HA H 1 5.003 0.030 . 1 . . . . . 31 LEU HA . 10278 1 326 . 1 1 31 31 LEU HB2 H 1 1.888 0.030 . 2 . . . . . 31 LEU HB2 . 10278 1 327 . 1 1 31 31 LEU HB3 H 1 1.366 0.030 . 2 . . . . . 31 LEU HB3 . 10278 1 328 . 1 1 31 31 LEU HD11 H 1 0.941 0.030 . 1 . . . . . 31 LEU HD1 . 10278 1 329 . 1 1 31 31 LEU HD12 H 1 0.941 0.030 . 1 . . . . . 31 LEU HD1 . 10278 1 330 . 1 1 31 31 LEU HD13 H 1 0.941 0.030 . 1 . . . . . 31 LEU HD1 . 10278 1 331 . 1 1 31 31 LEU HD21 H 1 0.795 0.030 . 1 . . . . . 31 LEU HD2 . 10278 1 332 . 1 1 31 31 LEU HD22 H 1 0.795 0.030 . 1 . . . . . 31 LEU HD2 . 10278 1 333 . 1 1 31 31 LEU HD23 H 1 0.795 0.030 . 1 . . . . . 31 LEU HD2 . 10278 1 334 . 1 1 31 31 LEU HG H 1 1.453 0.030 . 1 . . . . . 31 LEU HG . 10278 1 335 . 1 1 31 31 LEU C C 13 174.414 0.300 . 1 . . . . . 31 LEU C . 10278 1 336 . 1 1 31 31 LEU CA C 13 53.240 0.300 . 1 . . . . . 31 LEU CA . 10278 1 337 . 1 1 31 31 LEU CB C 13 44.783 0.300 . 1 . . . . . 31 LEU CB . 10278 1 338 . 1 1 31 31 LEU CD1 C 13 22.294 0.300 . 2 . . . . . 31 LEU CD1 . 10278 1 339 . 1 1 31 31 LEU CD2 C 13 27.246 0.300 . 2 . . . . . 31 LEU CD2 . 10278 1 340 . 1 1 31 31 LEU CG C 13 27.630 0.300 . 1 . . . . . 31 LEU CG . 10278 1 341 . 1 1 31 31 LEU N N 15 124.610 0.300 . 1 . . . . . 31 LEU N . 10278 1 342 . 1 1 32 32 TRP H H 1 9.045 0.030 . 1 . . . . . 32 TRP H . 10278 1 343 . 1 1 32 32 TRP HA H 1 5.499 0.030 . 1 . . . . . 32 TRP HA . 10278 1 344 . 1 1 32 32 TRP HB2 H 1 3.465 0.030 . 2 . . . . . 32 TRP HB2 . 10278 1 345 . 1 1 32 32 TRP HB3 H 1 3.605 0.030 . 2 . . . . . 32 TRP HB3 . 10278 1 346 . 1 1 32 32 TRP HD1 H 1 7.252 0.030 . 1 . . . . . 32 TRP HD1 . 10278 1 347 . 1 1 32 32 TRP HE1 H 1 9.618 0.030 . 1 . . . . . 32 TRP HE1 . 10278 1 348 . 1 1 32 32 TRP HE3 H 1 7.537 0.030 . 1 . . . . . 32 TRP HE3 . 10278 1 349 . 1 1 32 32 TRP HH2 H 1 7.014 0.030 . 1 . . . . . 32 TRP HH2 . 10278 1 350 . 1 1 32 32 TRP HZ2 H 1 7.124 0.030 . 1 . . . . . 32 TRP HZ2 . 10278 1 351 . 1 1 32 32 TRP HZ3 H 1 6.973 0.030 . 1 . . . . . 32 TRP HZ3 . 10278 1 352 . 1 1 32 32 TRP C C 13 178.871 0.300 . 1 . . . . . 32 TRP C . 10278 1 353 . 1 1 32 32 TRP CA C 13 55.552 0.300 . 1 . . . . . 32 TRP CA . 10278 1 354 . 1 1 32 32 TRP CB C 13 32.346 0.300 . 1 . . . . . 32 TRP CB . 10278 1 355 . 1 1 32 32 TRP CD1 C 13 129.178 0.300 . 1 . . . . . 32 TRP CD1 . 10278 1 356 . 1 1 32 32 TRP CE3 C 13 120.822 0.300 . 1 . . . . . 32 TRP CE3 . 10278 1 357 . 1 1 32 32 TRP CH2 C 13 123.762 0.300 . 1 . . . . . 32 TRP CH2 . 10278 1 358 . 1 1 32 32 TRP CZ2 C 13 114.459 0.300 . 1 . . . . . 32 TRP CZ2 . 10278 1 359 . 1 1 32 32 TRP CZ3 C 13 122.110 0.300 . 1 . . . . . 32 TRP CZ3 . 10278 1 360 . 1 1 32 32 TRP N N 15 128.500 0.300 . 1 . . . . . 32 TRP N . 10278 1 361 . 1 1 32 32 TRP NE1 N 15 126.324 0.300 . 1 . . . . . 32 TRP NE1 . 10278 1 362 . 1 1 33 33 LEU H H 1 9.246 0.030 . 1 . . . . . 33 LEU H . 10278 1 363 . 1 1 33 33 LEU HA H 1 4.075 0.030 . 1 . . . . . 33 LEU HA . 10278 1 364 . 1 1 33 33 LEU HB2 H 1 1.775 0.030 . 2 . . . . . 33 LEU HB2 . 10278 1 365 . 1 1 33 33 LEU HB3 H 1 1.712 0.030 . 2 . . . . . 33 LEU HB3 . 10278 1 366 . 1 1 33 33 LEU HD11 H 1 0.918 0.030 . 1 . . . . . 33 LEU HD1 . 10278 1 367 . 1 1 33 33 LEU HD12 H 1 0.918 0.030 . 1 . . . . . 33 LEU HD1 . 10278 1 368 . 1 1 33 33 LEU HD13 H 1 0.918 0.030 . 1 . . . . . 33 LEU HD1 . 10278 1 369 . 1 1 33 33 LEU HD21 H 1 0.885 0.030 . 1 . . . . . 33 LEU HD2 . 10278 1 370 . 1 1 33 33 LEU HD22 H 1 0.885 0.030 . 1 . . . . . 33 LEU HD2 . 10278 1 371 . 1 1 33 33 LEU HD23 H 1 0.885 0.030 . 1 . . . . . 33 LEU HD2 . 10278 1 372 . 1 1 33 33 LEU HG H 1 1.685 0.030 . 1 . . . . . 33 LEU HG . 10278 1 373 . 1 1 33 33 LEU C C 13 176.859 0.300 . 1 . . . . . 33 LEU C . 10278 1 374 . 1 1 33 33 LEU CA C 13 57.035 0.300 . 1 . . . . . 33 LEU CA . 10278 1 375 . 1 1 33 33 LEU CB C 13 42.651 0.300 . 1 . . . . . 33 LEU CB . 10278 1 376 . 1 1 33 33 LEU CD1 C 13 24.892 0.300 . 2 . . . . . 33 LEU CD1 . 10278 1 377 . 1 1 33 33 LEU CD2 C 13 24.395 0.300 . 2 . . . . . 33 LEU CD2 . 10278 1 378 . 1 1 33 33 LEU CG C 13 27.164 0.300 . 1 . . . . . 33 LEU CG . 10278 1 379 . 1 1 33 33 LEU N N 15 123.838 0.300 . 1 . . . . . 33 LEU N . 10278 1 380 . 1 1 34 34 ASP H H 1 7.536 0.030 . 1 . . . . . 34 ASP H . 10278 1 381 . 1 1 34 34 ASP HA H 1 4.395 0.030 . 1 . . . . . 34 ASP HA . 10278 1 382 . 1 1 34 34 ASP HB2 H 1 3.075 0.030 . 2 . . . . . 34 ASP HB2 . 10278 1 383 . 1 1 34 34 ASP HB3 H 1 2.564 0.030 . 2 . . . . . 34 ASP HB3 . 10278 1 384 . 1 1 34 34 ASP C C 13 177.113 0.300 . 1 . . . . . 34 ASP C . 10278 1 385 . 1 1 34 34 ASP CA C 13 53.805 0.300 . 1 . . . . . 34 ASP CA . 10278 1 386 . 1 1 34 34 ASP CB C 13 39.625 0.300 . 1 . . . . . 34 ASP CB . 10278 1 387 . 1 1 34 34 ASP N N 15 115.948 0.300 . 1 . . . . . 34 ASP N . 10278 1 388 . 1 1 35 35 GLY H H 1 8.264 0.030 . 1 . . . . . 35 GLY H . 10278 1 389 . 1 1 35 35 GLY HA2 H 1 4.205 0.030 . 2 . . . . . 35 GLY HA2 . 10278 1 390 . 1 1 35 35 GLY HA3 H 1 3.895 0.030 . 2 . . . . . 35 GLY HA3 . 10278 1 391 . 1 1 35 35 GLY C C 13 173.898 0.300 . 1 . . . . . 35 GLY C . 10278 1 392 . 1 1 35 35 GLY CA C 13 46.216 0.300 . 1 . . . . . 35 GLY CA . 10278 1 393 . 1 1 35 35 GLY N N 15 106.508 0.300 . 1 . . . . . 35 GLY N . 10278 1 394 . 1 1 36 36 THR H H 1 8.035 0.030 . 1 . . . . . 36 THR H . 10278 1 395 . 1 1 36 36 THR HA H 1 5.123 0.030 . 1 . . . . . 36 THR HA . 10278 1 396 . 1 1 36 36 THR HB H 1 4.044 0.030 . 1 . . . . . 36 THR HB . 10278 1 397 . 1 1 36 36 THR HG21 H 1 1.083 0.030 . 1 . . . . . 36 THR HG2 . 10278 1 398 . 1 1 36 36 THR HG22 H 1 1.083 0.030 . 1 . . . . . 36 THR HG2 . 10278 1 399 . 1 1 36 36 THR HG23 H 1 1.083 0.030 . 1 . . . . . 36 THR HG2 . 10278 1 400 . 1 1 36 36 THR C C 13 170.669 0.300 . 1 . . . . . 36 THR C . 10278 1 401 . 1 1 36 36 THR CA C 13 60.588 0.300 . 1 . . . . . 36 THR CA . 10278 1 402 . 1 1 36 36 THR CB C 13 72.314 0.300 . 1 . . . . . 36 THR CB . 10278 1 403 . 1 1 36 36 THR CG2 C 13 21.818 0.300 . 1 . . . . . 36 THR CG2 . 10278 1 404 . 1 1 36 36 THR N N 15 112.047 0.300 . 1 . . . . . 36 THR N . 10278 1 405 . 1 1 37 37 LEU H H 1 9.344 0.030 . 1 . . . . . 37 LEU H . 10278 1 406 . 1 1 37 37 LEU HA H 1 5.616 0.030 . 1 . . . . . 37 LEU HA . 10278 1 407 . 1 1 37 37 LEU HB2 H 1 2.035 0.030 . 2 . . . . . 37 LEU HB2 . 10278 1 408 . 1 1 37 37 LEU HB3 H 1 1.225 0.030 . 2 . . . . . 37 LEU HB3 . 10278 1 409 . 1 1 37 37 LEU HD11 H 1 1.036 0.030 . 1 . . . . . 37 LEU HD1 . 10278 1 410 . 1 1 37 37 LEU HD12 H 1 1.036 0.030 . 1 . . . . . 37 LEU HD1 . 10278 1 411 . 1 1 37 37 LEU HD13 H 1 1.036 0.030 . 1 . . . . . 37 LEU HD1 . 10278 1 412 . 1 1 37 37 LEU HD21 H 1 0.775 0.030 . 1 . . . . . 37 LEU HD2 . 10278 1 413 . 1 1 37 37 LEU HD22 H 1 0.775 0.030 . 1 . . . . . 37 LEU HD2 . 10278 1 414 . 1 1 37 37 LEU HD23 H 1 0.775 0.030 . 1 . . . . . 37 LEU HD2 . 10278 1 415 . 1 1 37 37 LEU HG H 1 1.515 0.030 . 1 . . . . . 37 LEU HG . 10278 1 416 . 1 1 37 37 LEU C C 13 175.787 0.300 . 1 . . . . . 37 LEU C . 10278 1 417 . 1 1 37 37 LEU CA C 13 52.799 0.300 . 1 . . . . . 37 LEU CA . 10278 1 418 . 1 1 37 37 LEU CB C 13 46.698 0.300 . 1 . . . . . 37 LEU CB . 10278 1 419 . 1 1 37 37 LEU CD1 C 13 24.713 0.300 . 2 . . . . . 37 LEU CD1 . 10278 1 420 . 1 1 37 37 LEU CD2 C 13 25.308 0.300 . 2 . . . . . 37 LEU CD2 . 10278 1 421 . 1 1 37 37 LEU CG C 13 27.379 0.300 . 1 . . . . . 37 LEU CG . 10278 1 422 . 1 1 37 37 LEU N N 15 122.915 0.300 . 1 . . . . . 37 LEU N . 10278 1 423 . 1 1 38 38 GLY H H 1 9.685 0.030 . 1 . . . . . 38 GLY H . 10278 1 424 . 1 1 38 38 GLY HA2 H 1 5.074 0.030 . 2 . . . . . 38 GLY HA2 . 10278 1 425 . 1 1 38 38 GLY HA3 H 1 3.825 0.030 . 2 . . . . . 38 GLY HA3 . 10278 1 426 . 1 1 38 38 GLY C C 13 172.258 0.300 . 1 . . . . . 38 GLY C . 10278 1 427 . 1 1 38 38 GLY CA C 13 43.676 0.300 . 1 . . . . . 38 GLY CA . 10278 1 428 . 1 1 38 38 GLY N N 15 113.092 0.300 . 1 . . . . . 38 GLY N . 10278 1 429 . 1 1 39 39 TYR H H 1 7.362 0.030 . 1 . . . . . 39 TYR H . 10278 1 430 . 1 1 39 39 TYR HA H 1 5.251 0.030 . 1 . . . . . 39 TYR HA . 10278 1 431 . 1 1 39 39 TYR HB2 H 1 1.612 0.030 . 2 . . . . . 39 TYR HB2 . 10278 1 432 . 1 1 39 39 TYR HB3 H 1 1.172 0.030 . 2 . . . . . 39 TYR HB3 . 10278 1 433 . 1 1 39 39 TYR HD1 H 1 6.263 0.030 . 1 . . . . . 39 TYR HD1 . 10278 1 434 . 1 1 39 39 TYR HD2 H 1 6.263 0.030 . 1 . . . . . 39 TYR HD2 . 10278 1 435 . 1 1 39 39 TYR HE1 H 1 6.395 0.030 . 1 . . . . . 39 TYR HE1 . 10278 1 436 . 1 1 39 39 TYR HE2 H 1 6.395 0.030 . 1 . . . . . 39 TYR HE2 . 10278 1 437 . 1 1 39 39 TYR C C 13 175.367 0.300 . 1 . . . . . 39 TYR C . 10278 1 438 . 1 1 39 39 TYR CA C 13 54.282 0.300 . 1 . . . . . 39 TYR CA . 10278 1 439 . 1 1 39 39 TYR CB C 13 37.774 0.300 . 1 . . . . . 39 TYR CB . 10278 1 440 . 1 1 39 39 TYR CD1 C 13 133.669 0.300 . 1 . . . . . 39 TYR CD1 . 10278 1 441 . 1 1 39 39 TYR CD2 C 13 133.669 0.300 . 1 . . . . . 39 TYR CD2 . 10278 1 442 . 1 1 39 39 TYR CE1 C 13 117.161 0.300 . 1 . . . . . 39 TYR CE1 . 10278 1 443 . 1 1 39 39 TYR CE2 C 13 117.161 0.300 . 1 . . . . . 39 TYR CE2 . 10278 1 444 . 1 1 39 39 TYR N N 15 113.951 0.300 . 1 . . . . . 39 TYR N . 10278 1 445 . 1 1 40 40 TYR H H 1 9.315 0.030 . 1 . . . . . 40 TYR H . 10278 1 446 . 1 1 40 40 TYR HA H 1 5.305 0.030 . 1 . . . . . 40 TYR HA . 10278 1 447 . 1 1 40 40 TYR HB2 H 1 3.455 0.030 . 1 . . . . . 40 TYR HB2 . 10278 1 448 . 1 1 40 40 TYR HB3 H 1 3.455 0.030 . 1 . . . . . 40 TYR HB3 . 10278 1 449 . 1 1 40 40 TYR HD1 H 1 7.024 0.030 . 1 . . . . . 40 TYR HD1 . 10278 1 450 . 1 1 40 40 TYR HD2 H 1 7.024 0.030 . 1 . . . . . 40 TYR HD2 . 10278 1 451 . 1 1 40 40 TYR HE1 H 1 6.973 0.030 . 1 . . . . . 40 TYR HE1 . 10278 1 452 . 1 1 40 40 TYR HE2 H 1 6.973 0.030 . 1 . . . . . 40 TYR HE2 . 10278 1 453 . 1 1 40 40 TYR C C 13 177.694 0.300 . 1 . . . . . 40 TYR C . 10278 1 454 . 1 1 40 40 TYR CA C 13 57.185 0.300 . 1 . . . . . 40 TYR CA . 10278 1 455 . 1 1 40 40 TYR CB C 13 43.779 0.300 . 1 . . . . . 40 TYR CB . 10278 1 456 . 1 1 40 40 TYR CD1 C 13 133.564 0.300 . 1 . . . . . 40 TYR CD1 . 10278 1 457 . 1 1 40 40 TYR CD2 C 13 133.564 0.300 . 1 . . . . . 40 TYR CD2 . 10278 1 458 . 1 1 40 40 TYR CE1 C 13 119.411 0.300 . 1 . . . . . 40 TYR CE1 . 10278 1 459 . 1 1 40 40 TYR CE2 C 13 119.411 0.300 . 1 . . . . . 40 TYR CE2 . 10278 1 460 . 1 1 40 40 TYR N N 15 117.930 0.300 . 1 . . . . . 40 TYR N . 10278 1 461 . 1 1 41 41 HIS H H 1 8.658 0.030 . 1 . . . . . 41 HIS H . 10278 1 462 . 1 1 41 41 HIS HA H 1 4.654 0.030 . 1 . . . . . 41 HIS HA . 10278 1 463 . 1 1 41 41 HIS HB2 H 1 3.435 0.030 . 1 . . . . . 41 HIS HB2 . 10278 1 464 . 1 1 41 41 HIS HB3 H 1 3.435 0.030 . 1 . . . . . 41 HIS HB3 . 10278 1 465 . 1 1 41 41 HIS HD2 H 1 7.122 0.030 . 1 . . . . . 41 HIS HD2 . 10278 1 466 . 1 1 41 41 HIS HE1 H 1 8.046 0.030 . 1 . . . . . 41 HIS HE1 . 10278 1 467 . 1 1 41 41 HIS C C 13 174.858 0.300 . 1 . . . . . 41 HIS C . 10278 1 468 . 1 1 41 41 HIS CA C 13 59.159 0.300 . 1 . . . . . 41 HIS CA . 10278 1 469 . 1 1 41 41 HIS CB C 13 31.094 0.300 . 1 . . . . . 41 HIS CB . 10278 1 470 . 1 1 41 41 HIS CD2 C 13 119.957 0.300 . 1 . . . . . 41 HIS CD2 . 10278 1 471 . 1 1 41 41 HIS CE1 C 13 138.371 0.300 . 1 . . . . . 41 HIS CE1 . 10278 1 472 . 1 1 41 41 HIS N N 15 121.927 0.300 . 1 . . . . . 41 HIS N . 10278 1 473 . 1 1 42 42 ASP H H 1 8.095 0.030 . 1 . . . . . 42 ASP H . 10278 1 474 . 1 1 42 42 ASP HA H 1 4.795 0.030 . 1 . . . . . 42 ASP HA . 10278 1 475 . 1 1 42 42 ASP HB2 H 1 3.215 0.030 . 2 . . . . . 42 ASP HB2 . 10278 1 476 . 1 1 42 42 ASP HB3 H 1 2.995 0.030 . 2 . . . . . 42 ASP HB3 . 10278 1 477 . 1 1 42 42 ASP C C 13 175.052 0.300 . 1 . . . . . 42 ASP C . 10278 1 478 . 1 1 42 42 ASP CA C 13 53.155 0.300 . 1 . . . . . 42 ASP CA . 10278 1 479 . 1 1 42 42 ASP CB C 13 41.860 0.300 . 1 . . . . . 42 ASP CB . 10278 1 480 . 1 1 42 42 ASP N N 15 112.020 0.300 . 1 . . . . . 42 ASP N . 10278 1 481 . 1 1 43 43 GLU H H 1 8.899 0.030 . 1 . . . . . 43 GLU H . 10278 1 482 . 1 1 43 43 GLU C C 13 176.336 0.300 . 1 . . . . . 43 GLU C . 10278 1 483 . 1 1 43 43 GLU CA C 13 57.021 0.300 . 1 . . . . . 43 GLU CA . 10278 1 484 . 1 1 43 43 GLU CB C 13 27.493 0.300 . 1 . . . . . 43 GLU CB . 10278 1 485 . 1 1 43 43 GLU N N 15 116.402 0.300 . 1 . . . . . 43 GLU N . 10278 1 486 . 1 1 44 44 THR H H 1 8.093 0.030 . 1 . . . . . 44 THR H . 10278 1 487 . 1 1 44 44 THR HA H 1 3.915 0.030 . 1 . . . . . 44 THR HA . 10278 1 488 . 1 1 44 44 THR HB H 1 4.185 0.030 . 1 . . . . . 44 THR HB . 10278 1 489 . 1 1 44 44 THR HG21 H 1 1.136 0.030 . 1 . . . . . 44 THR HG2 . 10278 1 490 . 1 1 44 44 THR HG22 H 1 1.136 0.030 . 1 . . . . . 44 THR HG2 . 10278 1 491 . 1 1 44 44 THR HG23 H 1 1.136 0.030 . 1 . . . . . 44 THR HG2 . 10278 1 492 . 1 1 44 44 THR CA C 13 63.143 0.300 . 1 . . . . . 44 THR CA . 10278 1 493 . 1 1 44 44 THR CB C 13 69.620 0.300 . 1 . . . . . 44 THR CB . 10278 1 494 . 1 1 44 44 THR CG2 C 13 21.413 0.300 . 1 . . . . . 44 THR CG2 . 10278 1 495 . 1 1 44 44 THR N N 15 111.376 0.300 . 1 . . . . . 44 THR N . 10278 1 496 . 1 1 45 45 ALA H H 1 7.815 0.030 . 1 . . . . . 45 ALA H . 10278 1 497 . 1 1 45 45 ALA HA H 1 3.430 0.030 . 1 . . . . . 45 ALA HA . 10278 1 498 . 1 1 45 45 ALA HB1 H 1 0.854 0.030 . 1 . . . . . 45 ALA HB . 10278 1 499 . 1 1 45 45 ALA HB2 H 1 0.854 0.030 . 1 . . . . . 45 ALA HB . 10278 1 500 . 1 1 45 45 ALA HB3 H 1 0.854 0.030 . 1 . . . . . 45 ALA HB . 10278 1 501 . 1 1 45 45 ALA C C 13 175.091 0.300 . 1 . . . . . 45 ALA C . 10278 1 502 . 1 1 45 45 ALA CA C 13 53.434 0.300 . 1 . . . . . 45 ALA CA . 10278 1 503 . 1 1 45 45 ALA CB C 13 15.567 0.300 . 1 . . . . . 45 ALA CB . 10278 1 504 . 1 1 46 46 GLN H H 1 7.869 0.030 . 1 . . . . . 46 GLN H . 10278 1 505 . 1 1 46 46 GLN HA H 1 4.238 0.030 . 1 . . . . . 46 GLN HA . 10278 1 506 . 1 1 46 46 GLN HB2 H 1 2.083 0.030 . 2 . . . . . 46 GLN HB2 . 10278 1 507 . 1 1 46 46 GLN HB3 H 1 1.873 0.030 . 2 . . . . . 46 GLN HB3 . 10278 1 508 . 1 1 46 46 GLN HE21 H 1 7.465 0.030 . 2 . . . . . 46 GLN HE21 . 10278 1 509 . 1 1 46 46 GLN HE22 H 1 6.832 0.030 . 2 . . . . . 46 GLN HE22 . 10278 1 510 . 1 1 46 46 GLN HG2 H 1 2.290 0.030 . 2 . . . . . 46 GLN HG2 . 10278 1 511 . 1 1 46 46 GLN HG3 H 1 2.229 0.030 . 2 . . . . . 46 GLN HG3 . 10278 1 512 . 1 1 46 46 GLN C C 13 176.190 0.300 . 1 . . . . . 46 GLN C . 10278 1 513 . 1 1 46 46 GLN CA C 13 56.929 0.300 . 1 . . . . . 46 GLN CA . 10278 1 514 . 1 1 46 46 GLN CB C 13 30.454 0.300 . 1 . . . . . 46 GLN CB . 10278 1 515 . 1 1 46 46 GLN CG C 13 34.302 0.300 . 1 . . . . . 46 GLN CG . 10278 1 516 . 1 1 46 46 GLN N N 15 115.953 0.300 . 1 . . . . . 46 GLN N . 10278 1 517 . 1 1 46 46 GLN NE2 N 15 112.608 0.300 . 1 . . . . . 46 GLN NE2 . 10278 1 518 . 1 1 47 47 ASP H H 1 8.326 0.030 . 1 . . . . . 47 ASP H . 10278 1 519 . 1 1 47 47 ASP HA H 1 4.954 0.030 . 1 . . . . . 47 ASP HA . 10278 1 520 . 1 1 47 47 ASP HB2 H 1 2.595 0.030 . 2 . . . . . 47 ASP HB2 . 10278 1 521 . 1 1 47 47 ASP HB3 H 1 2.475 0.030 . 2 . . . . . 47 ASP HB3 . 10278 1 522 . 1 1 47 47 ASP C C 13 173.846 0.300 . 1 . . . . . 47 ASP C . 10278 1 523 . 1 1 47 47 ASP CA C 13 52.993 0.300 . 1 . . . . . 47 ASP CA . 10278 1 524 . 1 1 47 47 ASP CB C 13 41.558 0.300 . 1 . . . . . 47 ASP CB . 10278 1 525 . 1 1 47 47 ASP N N 15 119.830 0.300 . 1 . . . . . 47 ASP N . 10278 1 526 . 1 1 48 48 GLU H H 1 8.756 0.030 . 1 . . . . . 48 GLU H . 10278 1 527 . 1 1 48 48 GLU HA H 1 3.785 0.030 . 1 . . . . . 48 GLU HA . 10278 1 528 . 1 1 48 48 GLU HB2 H 1 2.015 0.030 . 1 . . . . . 48 GLU HB2 . 10278 1 529 . 1 1 48 48 GLU HB3 H 1 2.015 0.030 . 1 . . . . . 48 GLU HB3 . 10278 1 530 . 1 1 48 48 GLU HG2 H 1 1.456 0.030 . 1 . . . . . 48 GLU HG2 . 10278 1 531 . 1 1 48 48 GLU HG3 H 1 1.456 0.030 . 1 . . . . . 48 GLU HG3 . 10278 1 532 . 1 1 48 48 GLU C C 13 175.892 0.300 . 1 . . . . . 48 GLU C . 10278 1 533 . 1 1 48 48 GLU CA C 13 56.470 0.300 . 1 . . . . . 48 GLU CA . 10278 1 534 . 1 1 48 48 GLU CB C 13 32.264 0.300 . 1 . . . . . 48 GLU CB . 10278 1 535 . 1 1 48 48 GLU CG C 13 37.445 0.300 . 1 . . . . . 48 GLU CG . 10278 1 536 . 1 1 48 48 GLU N N 15 125.923 0.300 . 1 . . . . . 48 GLU N . 10278 1 537 . 1 1 49 49 GLU H H 1 8.945 0.030 . 1 . . . . . 49 GLU H . 10278 1 538 . 1 1 49 49 GLU HA H 1 4.164 0.030 . 1 . . . . . 49 GLU HA . 10278 1 539 . 1 1 49 49 GLU HB2 H 1 1.751 0.030 . 2 . . . . . 49 GLU HB2 . 10278 1 540 . 1 1 49 49 GLU HB3 H 1 1.495 0.030 . 2 . . . . . 49 GLU HB3 . 10278 1 541 . 1 1 49 49 GLU HG2 H 1 2.116 0.030 . 1 . . . . . 49 GLU HG2 . 10278 1 542 . 1 1 49 49 GLU HG3 H 1 2.116 0.030 . 1 . . . . . 49 GLU HG3 . 10278 1 543 . 1 1 49 49 GLU C C 13 176.040 0.300 . 1 . . . . . 49 GLU C . 10278 1 544 . 1 1 49 49 GLU CA C 13 58.447 0.300 . 1 . . . . . 49 GLU CA . 10278 1 545 . 1 1 49 49 GLU CB C 13 30.207 0.300 . 1 . . . . . 49 GLU CB . 10278 1 546 . 1 1 49 49 GLU CG C 13 36.623 0.300 . 1 . . . . . 49 GLU CG . 10278 1 547 . 1 1 49 49 GLU N N 15 129.751 0.300 . 1 . . . . . 49 GLU N . 10278 1 548 . 1 1 50 50 ASP H H 1 6.736 0.030 . 1 . . . . . 50 ASP H . 10278 1 549 . 1 1 50 50 ASP HA H 1 4.355 0.030 . 1 . . . . . 50 ASP HA . 10278 1 550 . 1 1 50 50 ASP HB2 H 1 2.385 0.030 . 2 . . . . . 50 ASP HB2 . 10278 1 551 . 1 1 50 50 ASP HB3 H 1 2.033 0.030 . 2 . . . . . 50 ASP HB3 . 10278 1 552 . 1 1 50 50 ASP C C 13 172.562 0.300 . 1 . . . . . 50 ASP C . 10278 1 553 . 1 1 50 50 ASP CA C 13 52.729 0.300 . 1 . . . . . 50 ASP CA . 10278 1 554 . 1 1 50 50 ASP CB C 13 43.737 0.300 . 1 . . . . . 50 ASP CB . 10278 1 555 . 1 1 50 50 ASP N N 15 113.574 0.300 . 1 . . . . . 50 ASP N . 10278 1 556 . 1 1 51 51 ARG H H 1 8.532 0.030 . 1 . . . . . 51 ARG H . 10278 1 557 . 1 1 51 51 ARG HA H 1 5.005 0.030 . 1 . . . . . 51 ARG HA . 10278 1 558 . 1 1 51 51 ARG HB2 H 1 1.685 0.030 . 2 . . . . . 51 ARG HB2 . 10278 1 559 . 1 1 51 51 ARG HB3 H 1 1.533 0.030 . 2 . . . . . 51 ARG HB3 . 10278 1 560 . 1 1 51 51 ARG HD2 H 1 3.188 0.030 . 2 . . . . . 51 ARG HD2 . 10278 1 561 . 1 1 51 51 ARG HD3 H 1 3.084 0.030 . 2 . . . . . 51 ARG HD3 . 10278 1 562 . 1 1 51 51 ARG HE H 1 7.918 0.030 . 1 . . . . . 51 ARG HE . 10278 1 563 . 1 1 51 51 ARG HG2 H 1 1.435 0.030 . 2 . . . . . 51 ARG HG2 . 10278 1 564 . 1 1 51 51 ARG HG3 H 1 1.284 0.030 . 2 . . . . . 51 ARG HG3 . 10278 1 565 . 1 1 51 51 ARG C C 13 174.656 0.300 . 1 . . . . . 51 ARG C . 10278 1 566 . 1 1 51 51 ARG CA C 13 55.605 0.300 . 1 . . . . . 51 ARG CA . 10278 1 567 . 1 1 51 51 ARG CB C 13 33.520 0.300 . 1 . . . . . 51 ARG CB . 10278 1 568 . 1 1 51 51 ARG CD C 13 44.060 0.300 . 1 . . . . . 51 ARG CD . 10278 1 569 . 1 1 51 51 ARG CG C 13 26.890 0.300 . 1 . . . . . 51 ARG CG . 10278 1 570 . 1 1 51 51 ARG N N 15 117.888 0.300 . 1 . . . . . 51 ARG N . 10278 1 571 . 1 1 51 51 ARG NE N 15 84.317 0.300 . 1 . . . . . 51 ARG NE . 10278 1 572 . 1 1 52 52 VAL H H 1 9.155 0.030 . 1 . . . . . 52 VAL H . 10278 1 573 . 1 1 52 52 VAL HA H 1 4.616 0.030 . 1 . . . . . 52 VAL HA . 10278 1 574 . 1 1 52 52 VAL HB H 1 2.156 0.030 . 1 . . . . . 52 VAL HB . 10278 1 575 . 1 1 52 52 VAL HG11 H 1 0.965 0.030 . 1 . . . . . 52 VAL HG1 . 10278 1 576 . 1 1 52 52 VAL HG12 H 1 0.965 0.030 . 1 . . . . . 52 VAL HG1 . 10278 1 577 . 1 1 52 52 VAL HG13 H 1 0.965 0.030 . 1 . . . . . 52 VAL HG1 . 10278 1 578 . 1 1 52 52 VAL HG21 H 1 0.985 0.030 . 1 . . . . . 52 VAL HG2 . 10278 1 579 . 1 1 52 52 VAL HG22 H 1 0.985 0.030 . 1 . . . . . 52 VAL HG2 . 10278 1 580 . 1 1 52 52 VAL HG23 H 1 0.985 0.030 . 1 . . . . . 52 VAL HG2 . 10278 1 581 . 1 1 52 52 VAL C C 13 174.710 0.300 . 1 . . . . . 52 VAL C . 10278 1 582 . 1 1 52 52 VAL CA C 13 59.382 0.300 . 1 . . . . . 52 VAL CA . 10278 1 583 . 1 1 52 52 VAL CB C 13 35.266 0.300 . 1 . . . . . 52 VAL CB . 10278 1 584 . 1 1 52 52 VAL CG1 C 13 21.489 0.300 . 2 . . . . . 52 VAL CG1 . 10278 1 585 . 1 1 52 52 VAL CG2 C 13 20.008 0.300 . 2 . . . . . 52 VAL CG2 . 10278 1 586 . 1 1 52 52 VAL N N 15 121.629 0.300 . 1 . . . . . 52 VAL N . 10278 1 587 . 1 1 53 53 VAL H H 1 8.956 0.030 . 1 . . . . . 53 VAL H . 10278 1 588 . 1 1 53 53 VAL HA H 1 3.745 0.030 . 1 . . . . . 53 VAL HA . 10278 1 589 . 1 1 53 53 VAL HB H 1 2.025 0.030 . 1 . . . . . 53 VAL HB . 10278 1 590 . 1 1 53 53 VAL HG11 H 1 1.081 0.030 . 1 . . . . . 53 VAL HG1 . 10278 1 591 . 1 1 53 53 VAL HG12 H 1 1.081 0.030 . 1 . . . . . 53 VAL HG1 . 10278 1 592 . 1 1 53 53 VAL HG13 H 1 1.081 0.030 . 1 . . . . . 53 VAL HG1 . 10278 1 593 . 1 1 53 53 VAL HG21 H 1 1.025 0.030 . 1 . . . . . 53 VAL HG2 . 10278 1 594 . 1 1 53 53 VAL HG22 H 1 1.025 0.030 . 1 . . . . . 53 VAL HG2 . 10278 1 595 . 1 1 53 53 VAL HG23 H 1 1.025 0.030 . 1 . . . . . 53 VAL HG2 . 10278 1 596 . 1 1 53 53 VAL C C 13 174.610 0.300 . 1 . . . . . 53 VAL C . 10278 1 597 . 1 1 53 53 VAL CA C 13 64.676 0.300 . 1 . . . . . 53 VAL CA . 10278 1 598 . 1 1 53 53 VAL CB C 13 32.305 0.300 . 1 . . . . . 53 VAL CB . 10278 1 599 . 1 1 53 53 VAL CG1 C 13 22.065 0.300 . 2 . . . . . 53 VAL CG1 . 10278 1 600 . 1 1 53 53 VAL CG2 C 13 22.020 0.300 . 2 . . . . . 53 VAL CG2 . 10278 1 601 . 1 1 53 53 VAL N N 15 125.547 0.300 . 1 . . . . . 53 VAL N . 10278 1 602 . 1 1 54 54 ILE H H 1 8.705 0.030 . 1 . . . . . 54 ILE H . 10278 1 603 . 1 1 54 54 ILE HA H 1 4.324 0.030 . 1 . . . . . 54 ILE HA . 10278 1 604 . 1 1 54 54 ILE HB H 1 1.875 0.030 . 1 . . . . . 54 ILE HB . 10278 1 605 . 1 1 54 54 ILE HD11 H 1 0.604 0.030 . 1 . . . . . 54 ILE HD1 . 10278 1 606 . 1 1 54 54 ILE HD12 H 1 0.604 0.030 . 1 . . . . . 54 ILE HD1 . 10278 1 607 . 1 1 54 54 ILE HD13 H 1 0.604 0.030 . 1 . . . . . 54 ILE HD1 . 10278 1 608 . 1 1 54 54 ILE HG12 H 1 1.114 0.030 . 2 . . . . . 54 ILE HG12 . 10278 1 609 . 1 1 54 54 ILE HG13 H 1 1.735 0.030 . 2 . . . . . 54 ILE HG13 . 10278 1 610 . 1 1 54 54 ILE HG21 H 1 0.859 0.030 . 1 . . . . . 54 ILE HG2 . 10278 1 611 . 1 1 54 54 ILE HG22 H 1 0.859 0.030 . 1 . . . . . 54 ILE HG2 . 10278 1 612 . 1 1 54 54 ILE HG23 H 1 0.859 0.030 . 1 . . . . . 54 ILE HG2 . 10278 1 613 . 1 1 54 54 ILE C C 13 176.747 0.300 . 1 . . . . . 54 ILE C . 10278 1 614 . 1 1 54 54 ILE CA C 13 58.623 0.300 . 1 . . . . . 54 ILE CA . 10278 1 615 . 1 1 54 54 ILE CB C 13 36.787 0.300 . 1 . . . . . 54 ILE CB . 10278 1 616 . 1 1 54 54 ILE CD1 C 13 7.571 0.300 . 1 . . . . . 54 ILE CD1 . 10278 1 617 . 1 1 54 54 ILE CG1 C 13 27.658 0.300 . 1 . . . . . 54 ILE CG1 . 10278 1 618 . 1 1 54 54 ILE CG2 C 13 19.018 0.300 . 1 . . . . . 54 ILE CG2 . 10278 1 619 . 1 1 54 54 ILE N N 15 126.147 0.300 . 1 . . . . . 54 ILE N . 10278 1 620 . 1 1 55 55 HIS H H 1 7.913 0.030 . 1 . . . . . 55 HIS H . 10278 1 621 . 1 1 55 55 HIS HA H 1 4.626 0.030 . 1 . . . . . 55 HIS HA . 10278 1 622 . 1 1 55 55 HIS HB2 H 1 3.165 0.030 . 1 . . . . . 55 HIS HB2 . 10278 1 623 . 1 1 55 55 HIS HB3 H 1 3.165 0.030 . 1 . . . . . 55 HIS HB3 . 10278 1 624 . 1 1 55 55 HIS HD2 H 1 7.083 0.030 . 1 . . . . . 55 HIS HD2 . 10278 1 625 . 1 1 55 55 HIS HE1 H 1 7.755 0.030 . 1 . . . . . 55 HIS HE1 . 10278 1 626 . 1 1 55 55 HIS C C 13 174.365 0.300 . 1 . . . . . 55 HIS C . 10278 1 627 . 1 1 55 55 HIS CA C 13 57.917 0.300 . 1 . . . . . 55 HIS CA . 10278 1 628 . 1 1 55 55 HIS CB C 13 29.796 0.300 . 1 . . . . . 55 HIS CB . 10278 1 629 . 1 1 55 55 HIS CD2 C 13 120.988 0.300 . 1 . . . . . 55 HIS CD2 . 10278 1 630 . 1 1 55 55 HIS CE1 C 13 136.650 0.300 . 1 . . . . . 55 HIS CE1 . 10278 1 631 . 1 1 55 55 HIS N N 15 119.790 0.300 . 1 . . . . . 55 HIS N . 10278 1 632 . 1 1 56 56 PHE H H 1 9.382 0.030 . 1 . . . . . 56 PHE H . 10278 1 633 . 1 1 56 56 PHE HA H 1 4.225 0.030 . 1 . . . . . 56 PHE HA . 10278 1 634 . 1 1 56 56 PHE HB2 H 1 3.439 0.030 . 2 . . . . . 56 PHE HB2 . 10278 1 635 . 1 1 56 56 PHE HB3 H 1 2.897 0.030 . 2 . . . . . 56 PHE HB3 . 10278 1 636 . 1 1 56 56 PHE HD1 H 1 7.068 0.030 . 1 . . . . . 56 PHE HD1 . 10278 1 637 . 1 1 56 56 PHE HD2 H 1 7.068 0.030 . 1 . . . . . 56 PHE HD2 . 10278 1 638 . 1 1 56 56 PHE HE1 H 1 7.248 0.030 . 1 . . . . . 56 PHE HE1 . 10278 1 639 . 1 1 56 56 PHE HE2 H 1 7.248 0.030 . 1 . . . . . 56 PHE HE2 . 10278 1 640 . 1 1 56 56 PHE HZ H 1 7.153 0.030 . 1 . . . . . 56 PHE HZ . 10278 1 641 . 1 1 56 56 PHE C C 13 175.781 0.300 . 1 . . . . . 56 PHE C . 10278 1 642 . 1 1 56 56 PHE CA C 13 57.593 0.300 . 1 . . . . . 56 PHE CA . 10278 1 643 . 1 1 56 56 PHE CB C 13 36.664 0.300 . 1 . . . . . 56 PHE CB . 10278 1 644 . 1 1 56 56 PHE CD1 C 13 130.940 0.300 . 1 . . . . . 56 PHE CD1 . 10278 1 645 . 1 1 56 56 PHE CD2 C 13 130.940 0.300 . 1 . . . . . 56 PHE CD2 . 10278 1 646 . 1 1 56 56 PHE CE1 C 13 131.110 0.300 . 1 . . . . . 56 PHE CE1 . 10278 1 647 . 1 1 56 56 PHE CE2 C 13 131.110 0.300 . 1 . . . . . 56 PHE CE2 . 10278 1 648 . 1 1 56 56 PHE CZ C 13 129.002 0.300 . 1 . . . . . 56 PHE CZ . 10278 1 649 . 1 1 56 56 PHE N N 15 124.614 0.300 . 1 . . . . . 56 PHE N . 10278 1 650 . 1 1 57 57 ASN H H 1 8.755 0.030 . 1 . . . . . 57 ASN H . 10278 1 651 . 1 1 57 57 ASN HA H 1 5.319 0.030 . 1 . . . . . 57 ASN HA . 10278 1 652 . 1 1 57 57 ASN HB2 H 1 2.775 0.030 . 2 . . . . . 57 ASN HB2 . 10278 1 653 . 1 1 57 57 ASN HB3 H 1 2.133 0.030 . 2 . . . . . 57 ASN HB3 . 10278 1 654 . 1 1 57 57 ASN HD21 H 1 7.403 0.030 . 2 . . . . . 57 ASN HD21 . 10278 1 655 . 1 1 57 57 ASN HD22 H 1 8.472 0.030 . 2 . . . . . 57 ASN HD22 . 10278 1 656 . 1 1 57 57 ASN C C 13 175.317 0.300 . 1 . . . . . 57 ASN C . 10278 1 657 . 1 1 57 57 ASN CA C 13 52.129 0.300 . 1 . . . . . 57 ASN CA . 10278 1 658 . 1 1 57 57 ASN CB C 13 41.640 0.300 . 1 . . . . . 57 ASN CB . 10278 1 659 . 1 1 57 57 ASN N N 15 114.893 0.300 . 1 . . . . . 57 ASN N . 10278 1 660 . 1 1 57 57 ASN ND2 N 15 113.491 0.300 . 1 . . . . . 57 ASN ND2 . 10278 1 661 . 1 1 58 58 VAL H H 1 8.606 0.030 . 1 . . . . . 58 VAL H . 10278 1 662 . 1 1 58 58 VAL HA H 1 4.138 0.030 . 1 . . . . . 58 VAL HA . 10278 1 663 . 1 1 58 58 VAL HB H 1 1.835 0.030 . 1 . . . . . 58 VAL HB . 10278 1 664 . 1 1 58 58 VAL HG11 H 1 0.727 0.030 . 1 . . . . . 58 VAL HG1 . 10278 1 665 . 1 1 58 58 VAL HG12 H 1 0.727 0.030 . 1 . . . . . 58 VAL HG1 . 10278 1 666 . 1 1 58 58 VAL HG13 H 1 0.727 0.030 . 1 . . . . . 58 VAL HG1 . 10278 1 667 . 1 1 58 58 VAL HG21 H 1 0.984 0.030 . 1 . . . . . 58 VAL HG2 . 10278 1 668 . 1 1 58 58 VAL HG22 H 1 0.984 0.030 . 1 . . . . . 58 VAL HG2 . 10278 1 669 . 1 1 58 58 VAL HG23 H 1 0.984 0.030 . 1 . . . . . 58 VAL HG2 . 10278 1 670 . 1 1 58 58 VAL C C 13 175.486 0.300 . 1 . . . . . 58 VAL C . 10278 1 671 . 1 1 58 58 VAL CA C 13 63.035 0.300 . 1 . . . . . 58 VAL CA . 10278 1 672 . 1 1 58 58 VAL CB C 13 32.733 0.300 . 1 . . . . . 58 VAL CB . 10278 1 673 . 1 1 58 58 VAL CG1 C 13 22.540 0.300 . 2 . . . . . 58 VAL CG1 . 10278 1 674 . 1 1 58 58 VAL CG2 C 13 22.940 0.300 . 2 . . . . . 58 VAL CG2 . 10278 1 675 . 1 1 58 58 VAL N N 15 121.476 0.300 . 1 . . . . . 58 VAL N . 10278 1 676 . 1 1 59 59 ARG H H 1 9.233 0.030 . 1 . . . . . 59 ARG H . 10278 1 677 . 1 1 59 59 ARG HA H 1 4.184 0.030 . 1 . . . . . 59 ARG HA . 10278 1 678 . 1 1 59 59 ARG HB2 H 1 1.625 0.030 . 2 . . . . . 59 ARG HB2 . 10278 1 679 . 1 1 59 59 ARG HB3 H 1 1.323 0.030 . 2 . . . . . 59 ARG HB3 . 10278 1 680 . 1 1 59 59 ARG HD2 H 1 3.125 0.030 . 1 . . . . . 59 ARG HD2 . 10278 1 681 . 1 1 59 59 ARG HD3 H 1 3.125 0.030 . 1 . . . . . 59 ARG HD3 . 10278 1 682 . 1 1 59 59 ARG HG2 H 1 1.515 0.030 . 1 . . . . . 59 ARG HG2 . 10278 1 683 . 1 1 59 59 ARG HG3 H 1 1.515 0.030 . 1 . . . . . 59 ARG HG3 . 10278 1 684 . 1 1 59 59 ARG C C 13 175.572 0.300 . 1 . . . . . 59 ARG C . 10278 1 685 . 1 1 59 59 ARG CA C 13 58.093 0.300 . 1 . . . . . 59 ARG CA . 10278 1 686 . 1 1 59 59 ARG CB C 13 31.236 0.300 . 1 . . . . . 59 ARG CB . 10278 1 687 . 1 1 59 59 ARG CD C 13 43.367 0.300 . 1 . . . . . 59 ARG CD . 10278 1 688 . 1 1 59 59 ARG CG C 13 27.246 0.300 . 1 . . . . . 59 ARG CG . 10278 1 689 . 1 1 59 59 ARG N N 15 128.965 0.300 . 1 . . . . . 59 ARG N . 10278 1 690 . 1 1 60 60 ASP H H 1 7.745 0.030 . 1 . . . . . 60 ASP H . 10278 1 691 . 1 1 60 60 ASP HA H 1 4.485 0.030 . 1 . . . . . 60 ASP HA . 10278 1 692 . 1 1 60 60 ASP HB2 H 1 2.885 0.030 . 2 . . . . . 60 ASP HB2 . 10278 1 693 . 1 1 60 60 ASP HB3 H 1 2.634 0.030 . 2 . . . . . 60 ASP HB3 . 10278 1 694 . 1 1 60 60 ASP C C 13 173.047 0.300 . 1 . . . . . 60 ASP C . 10278 1 695 . 1 1 60 60 ASP CA C 13 53.911 0.300 . 1 . . . . . 60 ASP CA . 10278 1 696 . 1 1 60 60 ASP CB C 13 42.874 0.300 . 1 . . . . . 60 ASP CB . 10278 1 697 . 1 1 60 60 ASP N N 15 113.170 0.300 . 1 . . . . . 60 ASP N . 10278 1 698 . 1 1 61 61 ILE H H 1 8.398 0.030 . 1 . . . . . 61 ILE H . 10278 1 699 . 1 1 61 61 ILE HA H 1 5.055 0.030 . 1 . . . . . 61 ILE HA . 10278 1 700 . 1 1 61 61 ILE HB H 1 1.485 0.030 . 1 . . . . . 61 ILE HB . 10278 1 701 . 1 1 61 61 ILE HD11 H 1 0.898 0.030 . 1 . . . . . 61 ILE HD1 . 10278 1 702 . 1 1 61 61 ILE HD12 H 1 0.898 0.030 . 1 . . . . . 61 ILE HD1 . 10278 1 703 . 1 1 61 61 ILE HD13 H 1 0.898 0.030 . 1 . . . . . 61 ILE HD1 . 10278 1 704 . 1 1 61 61 ILE HG12 H 1 1.020 0.030 . 2 . . . . . 61 ILE HG12 . 10278 1 705 . 1 1 61 61 ILE HG13 H 1 1.697 0.030 . 2 . . . . . 61 ILE HG13 . 10278 1 706 . 1 1 61 61 ILE HG21 H 1 0.735 0.030 . 1 . . . . . 61 ILE HG2 . 10278 1 707 . 1 1 61 61 ILE HG22 H 1 0.735 0.030 . 1 . . . . . 61 ILE HG2 . 10278 1 708 . 1 1 61 61 ILE HG23 H 1 0.735 0.030 . 1 . . . . . 61 ILE HG2 . 10278 1 709 . 1 1 61 61 ILE C C 13 174.897 0.300 . 1 . . . . . 61 ILE C . 10278 1 710 . 1 1 61 61 ILE CA C 13 60.511 0.300 . 1 . . . . . 61 ILE CA . 10278 1 711 . 1 1 61 61 ILE CB C 13 41.558 0.300 . 1 . . . . . 61 ILE CB . 10278 1 712 . 1 1 61 61 ILE CD1 C 13 16.108 0.300 . 1 . . . . . 61 ILE CD1 . 10278 1 713 . 1 1 61 61 ILE CG1 C 13 28.560 0.300 . 1 . . . . . 61 ILE CG1 . 10278 1 714 . 1 1 61 61 ILE CG2 C 13 17.605 0.300 . 1 . . . . . 61 ILE CG2 . 10278 1 715 . 1 1 61 61 ILE N N 15 118.375 0.300 . 1 . . . . . 61 ILE N . 10278 1 716 . 1 1 62 62 LYS H H 1 8.619 0.030 . 1 . . . . . 62 LYS H . 10278 1 717 . 1 1 62 62 LYS HA H 1 4.711 0.030 . 1 . . . . . 62 LYS HA . 10278 1 718 . 1 1 62 62 LYS HB2 H 1 1.676 0.030 . 1 . . . . . 62 LYS HB2 . 10278 1 719 . 1 1 62 62 LYS HB3 H 1 1.676 0.030 . 1 . . . . . 62 LYS HB3 . 10278 1 720 . 1 1 62 62 LYS HD2 H 1 1.571 0.030 . 2 . . . . . 62 LYS HD2 . 10278 1 721 . 1 1 62 62 LYS HD3 H 1 1.665 0.030 . 2 . . . . . 62 LYS HD3 . 10278 1 722 . 1 1 62 62 LYS HE2 H 1 2.941 0.030 . 1 . . . . . 62 LYS HE2 . 10278 1 723 . 1 1 62 62 LYS HE3 H 1 2.941 0.030 . 1 . . . . . 62 LYS HE3 . 10278 1 724 . 1 1 62 62 LYS HG2 H 1 1.315 0.030 . 2 . . . . . 62 LYS HG2 . 10278 1 725 . 1 1 62 62 LYS HG3 H 1 1.522 0.030 . 2 . . . . . 62 LYS HG3 . 10278 1 726 . 1 1 62 62 LYS C C 13 174.636 0.300 . 1 . . . . . 62 LYS C . 10278 1 727 . 1 1 62 62 LYS CA C 13 53.947 0.300 . 1 . . . . . 62 LYS CA . 10278 1 728 . 1 1 62 62 LYS CB C 13 35.677 0.300 . 1 . . . . . 62 LYS CB . 10278 1 729 . 1 1 62 62 LYS CD C 13 28.809 0.300 . 1 . . . . . 62 LYS CD . 10278 1 730 . 1 1 62 62 LYS CE C 13 42.545 0.300 . 1 . . . . . 62 LYS CE . 10278 1 731 . 1 1 62 62 LYS CG C 13 24.927 0.300 . 1 . . . . . 62 LYS CG . 10278 1 732 . 1 1 62 62 LYS N N 15 128.701 0.300 . 1 . . . . . 62 LYS N . 10278 1 733 . 1 1 63 63 VAL H H 1 8.946 0.030 . 1 . . . . . 63 VAL H . 10278 1 734 . 1 1 63 63 VAL HA H 1 5.073 0.030 . 1 . . . . . 63 VAL HA . 10278 1 735 . 1 1 63 63 VAL HB H 1 1.836 0.030 . 1 . . . . . 63 VAL HB . 10278 1 736 . 1 1 63 63 VAL HG11 H 1 0.936 0.030 . 1 . . . . . 63 VAL HG1 . 10278 1 737 . 1 1 63 63 VAL HG12 H 1 0.936 0.030 . 1 . . . . . 63 VAL HG1 . 10278 1 738 . 1 1 63 63 VAL HG13 H 1 0.936 0.030 . 1 . . . . . 63 VAL HG1 . 10278 1 739 . 1 1 63 63 VAL HG21 H 1 0.895 0.030 . 1 . . . . . 63 VAL HG2 . 10278 1 740 . 1 1 63 63 VAL HG22 H 1 0.895 0.030 . 1 . . . . . 63 VAL HG2 . 10278 1 741 . 1 1 63 63 VAL HG23 H 1 0.895 0.030 . 1 . . . . . 63 VAL HG2 . 10278 1 742 . 1 1 63 63 VAL C C 13 177.772 0.300 . 1 . . . . . 63 VAL C . 10278 1 743 . 1 1 63 63 VAL CA C 13 59.734 0.300 . 1 . . . . . 63 VAL CA . 10278 1 744 . 1 1 63 63 VAL CB C 13 36.210 0.300 . 1 . . . . . 63 VAL CB . 10278 1 745 . 1 1 63 63 VAL CG1 C 13 21.470 0.300 . 2 . . . . . 63 VAL CG1 . 10278 1 746 . 1 1 63 63 VAL CG2 C 13 22.394 0.300 . 2 . . . . . 63 VAL CG2 . 10278 1 747 . 1 1 63 63 VAL N N 15 120.053 0.300 . 1 . . . . . 63 VAL N . 10278 1 748 . 1 1 64 64 GLY H H 1 9.804 0.030 . 1 . . . . . 64 GLY H . 10278 1 749 . 1 1 64 64 GLY HA2 H 1 4.415 0.030 . 2 . . . . . 64 GLY HA2 . 10278 1 750 . 1 1 64 64 GLY HA3 H 1 3.906 0.030 . 2 . . . . . 64 GLY HA3 . 10278 1 751 . 1 1 64 64 GLY C C 13 176.864 0.300 . 1 . . . . . 64 GLY C . 10278 1 752 . 1 1 64 64 GLY CA C 13 47.063 0.300 . 1 . . . . . 64 GLY CA . 10278 1 753 . 1 1 64 64 GLY N N 15 118.354 0.300 . 1 . . . . . 64 GLY N . 10278 1 754 . 1 1 65 65 GLN H H 1 9.045 0.030 . 1 . . . . . 65 GLN H . 10278 1 755 . 1 1 65 65 GLN HA H 1 3.944 0.030 . 1 . . . . . 65 GLN HA . 10278 1 756 . 1 1 65 65 GLN HB2 H 1 2.214 0.030 . 2 . . . . . 65 GLN HB2 . 10278 1 757 . 1 1 65 65 GLN HB3 H 1 2.052 0.030 . 2 . . . . . 65 GLN HB3 . 10278 1 758 . 1 1 65 65 GLN HE21 H 1 7.724 0.030 . 2 . . . . . 65 GLN HE21 . 10278 1 759 . 1 1 65 65 GLN HE22 H 1 6.901 0.030 . 2 . . . . . 65 GLN HE22 . 10278 1 760 . 1 1 65 65 GLN HG2 H 1 2.458 0.030 . 2 . . . . . 65 GLN HG2 . 10278 1 761 . 1 1 65 65 GLN HG3 H 1 2.436 0.030 . 2 . . . . . 65 GLN HG3 . 10278 1 762 . 1 1 65 65 GLN C C 13 176.698 0.300 . 1 . . . . . 65 GLN C . 10278 1 763 . 1 1 65 65 GLN CA C 13 57.793 0.300 . 1 . . . . . 65 GLN CA . 10278 1 764 . 1 1 65 65 GLN CB C 13 27.822 0.300 . 1 . . . . . 65 GLN CB . 10278 1 765 . 1 1 65 65 GLN CG C 13 33.497 0.300 . 1 . . . . . 65 GLN CG . 10278 1 766 . 1 1 65 65 GLN N N 15 124.600 0.300 . 1 . . . . . 65 GLN N . 10278 1 767 . 1 1 65 65 GLN NE2 N 15 112.681 0.300 . 1 . . . . . 65 GLN NE2 . 10278 1 768 . 1 1 66 66 GLU H H 1 7.886 0.030 . 1 . . . . . 66 GLU H . 10278 1 769 . 1 1 66 66 GLU HA H 1 4.145 0.030 . 1 . . . . . 66 GLU HA . 10278 1 770 . 1 1 66 66 GLU HB2 H 1 2.195 0.030 . 2 . . . . . 66 GLU HB2 . 10278 1 771 . 1 1 66 66 GLU HB3 H 1 2.094 0.030 . 2 . . . . . 66 GLU HB3 . 10278 1 772 . 1 1 66 66 GLU HG2 H 1 2.525 0.030 . 2 . . . . . 66 GLU HG2 . 10278 1 773 . 1 1 66 66 GLU HG3 H 1 2.315 0.030 . 2 . . . . . 66 GLU HG3 . 10278 1 774 . 1 1 66 66 GLU C C 13 178.049 0.300 . 1 . . . . . 66 GLU C . 10278 1 775 . 1 1 66 66 GLU CA C 13 57.564 0.300 . 1 . . . . . 66 GLU CA . 10278 1 776 . 1 1 66 66 GLU CB C 13 31.236 0.300 . 1 . . . . . 66 GLU CB . 10278 1 777 . 1 1 66 66 GLU CG C 13 36.623 0.300 . 1 . . . . . 66 GLU CG . 10278 1 778 . 1 1 66 66 GLU N N 15 116.486 0.300 . 1 . . . . . 66 GLU N . 10278 1 779 . 1 1 67 67 CYS H H 1 8.015 0.030 . 1 . . . . . 67 CYS H . 10278 1 780 . 1 1 67 67 CYS HA H 1 4.331 0.030 . 1 . . . . . 67 CYS HA . 10278 1 781 . 1 1 67 67 CYS HB2 H 1 2.677 0.030 . 2 . . . . . 67 CYS HB2 . 10278 1 782 . 1 1 67 67 CYS HB3 H 1 2.974 0.030 . 2 . . . . . 67 CYS HB3 . 10278 1 783 . 1 1 67 67 CYS C C 13 175.278 0.300 . 1 . . . . . 67 CYS C . 10278 1 784 . 1 1 67 67 CYS CA C 13 58.817 0.300 . 1 . . . . . 67 CYS CA . 10278 1 785 . 1 1 67 67 CYS CB C 13 26.342 0.300 . 1 . . . . . 67 CYS CB . 10278 1 786 . 1 1 67 67 CYS N N 15 119.526 0.300 . 1 . . . . . 67 CYS N . 10278 1 787 . 1 1 68 68 GLN H H 1 7.983 0.030 . 1 . . . . . 68 GLN H . 10278 1 788 . 1 1 68 68 GLN HA H 1 4.199 0.030 . 1 . . . . . 68 GLN HA . 10278 1 789 . 1 1 68 68 GLN HB2 H 1 2.153 0.030 . 2 . . . . . 68 GLN HB2 . 10278 1 790 . 1 1 68 68 GLN HB3 H 1 1.904 0.030 . 2 . . . . . 68 GLN HB3 . 10278 1 791 . 1 1 68 68 GLN HE21 H 1 7.553 0.030 . 2 . . . . . 68 GLN HE21 . 10278 1 792 . 1 1 68 68 GLN HE22 H 1 6.797 0.030 . 2 . . . . . 68 GLN HE22 . 10278 1 793 . 1 1 68 68 GLN HG2 H 1 2.366 0.030 . 2 . . . . . 68 GLN HG2 . 10278 1 794 . 1 1 68 68 GLN HG3 H 1 2.312 0.030 . 2 . . . . . 68 GLN HG3 . 10278 1 795 . 1 1 68 68 GLN C C 13 175.866 0.300 . 1 . . . . . 68 GLN C . 10278 1 796 . 1 1 68 68 GLN CA C 13 56.399 0.300 . 1 . . . . . 68 GLN CA . 10278 1 797 . 1 1 68 68 GLN CB C 13 29.837 0.300 . 1 . . . . . 68 GLN CB . 10278 1 798 . 1 1 68 68 GLN CG C 13 33.662 0.300 . 1 . . . . . 68 GLN CG . 10278 1 799 . 1 1 68 68 GLN N N 15 120.826 0.300 . 1 . . . . . 68 GLN N . 10278 1 800 . 1 1 68 68 GLN NE2 N 15 112.521 0.300 . 1 . . . . . 68 GLN NE2 . 10278 1 801 . 1 1 69 69 ASP H H 1 8.755 0.030 . 1 . . . . . 69 ASP H . 10278 1 802 . 1 1 69 69 ASP HA H 1 4.395 0.030 . 1 . . . . . 69 ASP HA . 10278 1 803 . 1 1 69 69 ASP HB2 H 1 2.764 0.030 . 2 . . . . . 69 ASP HB2 . 10278 1 804 . 1 1 69 69 ASP HB3 H 1 2.695 0.030 . 2 . . . . . 69 ASP HB3 . 10278 1 805 . 1 1 69 69 ASP C C 13 174.652 0.300 . 1 . . . . . 69 ASP C . 10278 1 806 . 1 1 69 69 ASP CA C 13 54.546 0.300 . 1 . . . . . 69 ASP CA . 10278 1 807 . 1 1 69 69 ASP CB C 13 39.954 0.300 . 1 . . . . . 69 ASP CB . 10278 1 808 . 1 1 69 69 ASP N N 15 117.691 0.300 . 1 . . . . . 69 ASP N . 10278 1 809 . 1 1 70 70 VAL H H 1 7.245 0.030 . 1 . . . . . 70 VAL H . 10278 1 810 . 1 1 70 70 VAL HA H 1 4.173 0.030 . 1 . . . . . 70 VAL HA . 10278 1 811 . 1 1 70 70 VAL HB H 1 1.686 0.030 . 1 . . . . . 70 VAL HB . 10278 1 812 . 1 1 70 70 VAL HG11 H 1 0.595 0.030 . 1 . . . . . 70 VAL HG1 . 10278 1 813 . 1 1 70 70 VAL HG12 H 1 0.595 0.030 . 1 . . . . . 70 VAL HG1 . 10278 1 814 . 1 1 70 70 VAL HG13 H 1 0.595 0.030 . 1 . . . . . 70 VAL HG1 . 10278 1 815 . 1 1 70 70 VAL HG21 H 1 0.615 0.030 . 1 . . . . . 70 VAL HG2 . 10278 1 816 . 1 1 70 70 VAL HG22 H 1 0.615 0.030 . 1 . . . . . 70 VAL HG2 . 10278 1 817 . 1 1 70 70 VAL HG23 H 1 0.615 0.030 . 1 . . . . . 70 VAL HG2 . 10278 1 818 . 1 1 70 70 VAL C C 13 173.502 0.300 . 1 . . . . . 70 VAL C . 10278 1 819 . 1 1 70 70 VAL CA C 13 60.502 0.300 . 1 . . . . . 70 VAL CA . 10278 1 820 . 1 1 70 70 VAL CB C 13 34.397 0.300 . 1 . . . . . 70 VAL CB . 10278 1 821 . 1 1 70 70 VAL CG1 C 13 20.510 0.300 . 2 . . . . . 70 VAL CG1 . 10278 1 822 . 1 1 70 70 VAL CG2 C 13 20.766 0.300 . 2 . . . . . 70 VAL CG2 . 10278 1 823 . 1 1 70 70 VAL N N 15 116.632 0.300 . 1 . . . . . 70 VAL N . 10278 1 824 . 1 1 71 71 GLN H H 1 8.513 0.030 . 1 . . . . . 71 GLN H . 10278 1 825 . 1 1 71 71 GLN HA H 1 4.758 0.030 . 1 . . . . . 71 GLN HA . 10278 1 826 . 1 1 71 71 GLN HB2 H 1 1.915 0.030 . 2 . . . . . 71 GLN HB2 . 10278 1 827 . 1 1 71 71 GLN HB3 H 1 2.086 0.030 . 2 . . . . . 71 GLN HB3 . 10278 1 828 . 1 1 71 71 GLN HE21 H 1 7.563 0.030 . 2 . . . . . 71 GLN HE21 . 10278 1 829 . 1 1 71 71 GLN HE22 H 1 6.853 0.030 . 2 . . . . . 71 GLN HE22 . 10278 1 830 . 1 1 71 71 GLN HG2 H 1 2.395 0.030 . 1 . . . . . 71 GLN HG2 . 10278 1 831 . 1 1 71 71 GLN HG3 H 1 2.395 0.030 . 1 . . . . . 71 GLN HG3 . 10278 1 832 . 1 1 71 71 GLN C C 13 173.404 0.300 . 1 . . . . . 71 GLN C . 10278 1 833 . 1 1 71 71 GLN CA C 13 52.093 0.300 . 1 . . . . . 71 GLN CA . 10278 1 834 . 1 1 71 71 GLN CB C 13 29.467 0.300 . 1 . . . . . 71 GLN CB . 10278 1 835 . 1 1 71 71 GLN CG C 13 33.286 0.300 . 1 . . . . . 71 GLN CG . 10278 1 836 . 1 1 71 71 GLN N N 15 125.361 0.300 . 1 . . . . . 71 GLN N . 10278 1 837 . 1 1 71 71 GLN NE2 N 15 113.017 0.300 . 1 . . . . . 71 GLN NE2 . 10278 1 838 . 1 1 72 72 PRO HA H 1 3.955 0.030 . 1 . . . . . 72 PRO HA . 10278 1 839 . 1 1 72 72 PRO HB2 H 1 1.484 0.030 . 2 . . . . . 72 PRO HB2 . 10278 1 840 . 1 1 72 72 PRO HB3 H 1 1.648 0.030 . 2 . . . . . 72 PRO HB3 . 10278 1 841 . 1 1 72 72 PRO HD2 H 1 3.600 0.030 . 1 . . . . . 72 PRO HD2 . 10278 1 842 . 1 1 72 72 PRO HD3 H 1 3.600 0.030 . 1 . . . . . 72 PRO HD3 . 10278 1 843 . 1 1 72 72 PRO HG2 H 1 1.748 0.030 . 2 . . . . . 72 PRO HG2 . 10278 1 844 . 1 1 72 72 PRO HG3 H 1 1.537 0.030 . 2 . . . . . 72 PRO HG3 . 10278 1 845 . 1 1 72 72 PRO CA C 13 61.219 0.300 . 1 . . . . . 72 PRO CA . 10278 1 846 . 1 1 72 72 PRO CB C 13 30.548 0.300 . 1 . . . . . 72 PRO CB . 10278 1 847 . 1 1 72 72 PRO CD C 13 50.217 0.300 . 1 . . . . . 72 PRO CD . 10278 1 848 . 1 1 72 72 PRO CG C 13 27.099 0.300 . 1 . . . . . 72 PRO CG . 10278 1 849 . 1 1 73 73 PRO HA H 1 3.584 0.030 . 1 . . . . . 73 PRO HA . 10278 1 850 . 1 1 73 73 PRO HB2 H 1 0.825 0.030 . 2 . . . . . 73 PRO HB2 . 10278 1 851 . 1 1 73 73 PRO HB3 H 1 0.308 0.030 . 2 . . . . . 73 PRO HB3 . 10278 1 852 . 1 1 73 73 PRO HD2 H 1 2.475 0.030 . 2 . . . . . 73 PRO HD2 . 10278 1 853 . 1 1 73 73 PRO HD3 H 1 0.935 0.030 . 2 . . . . . 73 PRO HD3 . 10278 1 854 . 1 1 73 73 PRO HG2 H 1 -0.054 0.030 . 2 . . . . . 73 PRO HG2 . 10278 1 855 . 1 1 73 73 PRO HG3 H 1 0.174 0.030 . 2 . . . . . 73 PRO HG3 . 10278 1 856 . 1 1 73 73 PRO C C 13 175.005 0.300 . 1 . . . . . 73 PRO C . 10278 1 857 . 1 1 73 73 PRO CA C 13 61.764 0.300 . 1 . . . . . 73 PRO CA . 10278 1 858 . 1 1 73 73 PRO CB C 13 30.080 0.300 . 1 . . . . . 73 PRO CB . 10278 1 859 . 1 1 73 73 PRO CD C 13 48.549 0.300 . 1 . . . . . 73 PRO CD . 10278 1 860 . 1 1 73 73 PRO CG C 13 25.460 0.300 . 1 . . . . . 73 PRO CG . 10278 1 861 . 1 1 74 74 GLU H H 1 8.066 0.030 . 1 . . . . . 74 GLU H . 10278 1 862 . 1 1 74 74 GLU HA H 1 3.766 0.030 . 1 . . . . . 74 GLU HA . 10278 1 863 . 1 1 74 74 GLU HB2 H 1 1.825 0.030 . 2 . . . . . 74 GLU HB2 . 10278 1 864 . 1 1 74 74 GLU HB3 H 1 1.777 0.030 . 2 . . . . . 74 GLU HB3 . 10278 1 865 . 1 1 74 74 GLU HG2 H 1 2.166 0.030 . 1 . . . . . 74 GLU HG2 . 10278 1 866 . 1 1 74 74 GLU HG3 H 1 2.166 0.030 . 1 . . . . . 74 GLU HG3 . 10278 1 867 . 1 1 74 74 GLU C C 13 177.415 0.300 . 1 . . . . . 74 GLU C . 10278 1 868 . 1 1 74 74 GLU CA C 13 58.005 0.300 . 1 . . . . . 74 GLU CA . 10278 1 869 . 1 1 74 74 GLU CB C 13 29.340 0.300 . 1 . . . . . 74 GLU CB . 10278 1 870 . 1 1 74 74 GLU CG C 13 35.965 0.300 . 1 . . . . . 74 GLU CG . 10278 1 871 . 1 1 74 74 GLU N N 15 120.425 0.300 . 1 . . . . . 74 GLU N . 10278 1 872 . 1 1 75 75 GLY H H 1 8.576 0.030 . 1 . . . . . 75 GLY H . 10278 1 873 . 1 1 75 75 GLY HA2 H 1 4.024 0.030 . 2 . . . . . 75 GLY HA2 . 10278 1 874 . 1 1 75 75 GLY HA3 H 1 3.568 0.030 . 2 . . . . . 75 GLY HA3 . 10278 1 875 . 1 1 75 75 GLY C C 13 174.093 0.300 . 1 . . . . . 75 GLY C . 10278 1 876 . 1 1 75 75 GLY CA C 13 45.299 0.300 . 1 . . . . . 75 GLY CA . 10278 1 877 . 1 1 75 75 GLY N N 15 112.779 0.300 . 1 . . . . . 75 GLY N . 10278 1 878 . 1 1 76 76 ARG H H 1 7.791 0.030 . 1 . . . . . 76 ARG H . 10278 1 879 . 1 1 76 76 ARG HA H 1 4.444 0.030 . 1 . . . . . 76 ARG HA . 10278 1 880 . 1 1 76 76 ARG HB2 H 1 1.565 0.030 . 2 . . . . . 76 ARG HB2 . 10278 1 881 . 1 1 76 76 ARG HB3 H 1 1.315 0.030 . 2 . . . . . 76 ARG HB3 . 10278 1 882 . 1 1 76 76 ARG HD2 H 1 2.578 0.030 . 2 . . . . . 76 ARG HD2 . 10278 1 883 . 1 1 76 76 ARG HD3 H 1 2.294 0.030 . 2 . . . . . 76 ARG HD3 . 10278 1 884 . 1 1 76 76 ARG HE H 1 8.350 0.030 . 1 . . . . . 76 ARG HE . 10278 1 885 . 1 1 76 76 ARG HG2 H 1 1.197 0.030 . 2 . . . . . 76 ARG HG2 . 10278 1 886 . 1 1 76 76 ARG HG3 H 1 1.023 0.030 . 2 . . . . . 76 ARG HG3 . 10278 1 887 . 1 1 76 76 ARG C C 13 175.188 0.300 . 1 . . . . . 76 ARG C . 10278 1 888 . 1 1 76 76 ARG CA C 13 54.617 0.300 . 1 . . . . . 76 ARG CA . 10278 1 889 . 1 1 76 76 ARG CB C 13 31.030 0.300 . 1 . . . . . 76 ARG CB . 10278 1 890 . 1 1 76 76 ARG CD C 13 42.134 0.300 . 1 . . . . . 76 ARG CD . 10278 1 891 . 1 1 76 76 ARG CG C 13 27.920 0.300 . 1 . . . . . 76 ARG CG . 10278 1 892 . 1 1 76 76 ARG N N 15 121.088 0.300 . 1 . . . . . 76 ARG N . 10278 1 893 . 1 1 76 76 ARG NE N 15 86.430 0.300 . 1 . . . . . 76 ARG NE . 10278 1 894 . 1 1 77 77 SER H H 1 8.235 0.030 . 1 . . . . . 77 SER H . 10278 1 895 . 1 1 77 77 SER HA H 1 4.405 0.030 . 1 . . . . . 77 SER HA . 10278 1 896 . 1 1 77 77 SER HB2 H 1 4.036 0.030 . 2 . . . . . 77 SER HB2 . 10278 1 897 . 1 1 77 77 SER HB3 H 1 3.725 0.030 . 2 . . . . . 77 SER HB3 . 10278 1 898 . 1 1 77 77 SER C C 13 176.069 0.300 . 1 . . . . . 77 SER C . 10278 1 899 . 1 1 77 77 SER CA C 13 56.805 0.300 . 1 . . . . . 77 SER CA . 10278 1 900 . 1 1 77 77 SER CB C 13 64.136 0.300 . 1 . . . . . 77 SER CB . 10278 1 901 . 1 1 77 77 SER N N 15 113.991 0.300 . 1 . . . . . 77 SER N . 10278 1 902 . 1 1 78 78 ARG H H 1 8.745 0.030 . 1 . . . . . 78 ARG H . 10278 1 903 . 1 1 78 78 ARG HA H 1 3.774 0.030 . 1 . . . . . 78 ARG HA . 10278 1 904 . 1 1 78 78 ARG HB2 H 1 1.735 0.030 . 1 . . . . . 78 ARG HB2 . 10278 1 905 . 1 1 78 78 ARG HB3 H 1 1.735 0.030 . 1 . . . . . 78 ARG HB3 . 10278 1 906 . 1 1 78 78 ARG HD2 H 1 3.215 0.030 . 2 . . . . . 78 ARG HD2 . 10278 1 907 . 1 1 78 78 ARG HG2 H 1 1.413 0.030 . 2 . . . . . 78 ARG HG2 . 10278 1 908 . 1 1 78 78 ARG HG3 H 1 1.739 0.030 . 2 . . . . . 78 ARG HG3 . 10278 1 909 . 1 1 78 78 ARG C C 13 176.758 0.300 . 1 . . . . . 78 ARG C . 10278 1 910 . 1 1 78 78 ARG CA C 13 58.341 0.300 . 1 . . . . . 78 ARG CA . 10278 1 911 . 1 1 78 78 ARG CB C 13 30.043 0.300 . 1 . . . . . 78 ARG CB . 10278 1 912 . 1 1 78 78 ARG CD C 13 43.121 0.300 . 1 . . . . . 78 ARG CD . 10278 1 913 . 1 1 78 78 ARG CG C 13 28.300 0.300 . 1 . . . . . 78 ARG CG . 10278 1 914 . 1 1 78 78 ARG N N 15 122.262 0.300 . 1 . . . . . 78 ARG N . 10278 1 915 . 1 1 79 79 ASP H H 1 8.106 0.030 . 1 . . . . . 79 ASP H . 10278 1 916 . 1 1 79 79 ASP HA H 1 4.175 0.030 . 1 . . . . . 79 ASP HA . 10278 1 917 . 1 1 79 79 ASP HB2 H 1 2.564 0.030 . 2 . . . . . 79 ASP HB2 . 10278 1 918 . 1 1 79 79 ASP HB3 H 1 2.496 0.030 . 2 . . . . . 79 ASP HB3 . 10278 1 919 . 1 1 79 79 ASP C C 13 175.579 0.300 . 1 . . . . . 79 ASP C . 10278 1 920 . 1 1 79 79 ASP CA C 13 57.159 0.300 . 1 . . . . . 79 ASP CA . 10278 1 921 . 1 1 79 79 ASP CB C 13 40.900 0.300 . 1 . . . . . 79 ASP CB . 10278 1 922 . 1 1 79 79 ASP N N 15 115.963 0.300 . 1 . . . . . 79 ASP N . 10278 1 923 . 1 1 80 80 GLY H H 1 7.305 0.030 . 1 . . . . . 80 GLY H . 10278 1 924 . 1 1 80 80 GLY HA2 H 1 4.047 0.030 . 2 . . . . . 80 GLY HA2 . 10278 1 925 . 1 1 80 80 GLY HA3 H 1 3.387 0.030 . 2 . . . . . 80 GLY HA3 . 10278 1 926 . 1 1 80 80 GLY C C 13 174.263 0.300 . 1 . . . . . 80 GLY C . 10278 1 927 . 1 1 80 80 GLY CA C 13 44.276 0.300 . 1 . . . . . 80 GLY CA . 10278 1 928 . 1 1 80 80 GLY N N 15 101.592 0.300 . 1 . . . . . 80 GLY N . 10278 1 929 . 1 1 81 81 LEU H H 1 7.307 0.030 . 1 . . . . . 81 LEU H . 10278 1 930 . 1 1 81 81 LEU HA H 1 4.494 0.030 . 1 . . . . . 81 LEU HA . 10278 1 931 . 1 1 81 81 LEU HB2 H 1 1.990 0.030 . 2 . . . . . 81 LEU HB2 . 10278 1 932 . 1 1 81 81 LEU HB3 H 1 1.655 0.030 . 2 . . . . . 81 LEU HB3 . 10278 1 933 . 1 1 81 81 LEU HD11 H 1 0.821 0.030 . 1 . . . . . 81 LEU HD1 . 10278 1 934 . 1 1 81 81 LEU HD12 H 1 0.821 0.030 . 1 . . . . . 81 LEU HD1 . 10278 1 935 . 1 1 81 81 LEU HD13 H 1 0.821 0.030 . 1 . . . . . 81 LEU HD1 . 10278 1 936 . 1 1 81 81 LEU HD21 H 1 0.898 0.030 . 1 . . . . . 81 LEU HD2 . 10278 1 937 . 1 1 81 81 LEU HD22 H 1 0.898 0.030 . 1 . . . . . 81 LEU HD2 . 10278 1 938 . 1 1 81 81 LEU HD23 H 1 0.898 0.030 . 1 . . . . . 81 LEU HD2 . 10278 1 939 . 1 1 81 81 LEU HG H 1 1.655 0.030 . 1 . . . . . 81 LEU HG . 10278 1 940 . 1 1 81 81 LEU C C 13 176.212 0.300 . 1 . . . . . 81 LEU C . 10278 1 941 . 1 1 81 81 LEU CA C 13 56.346 0.300 . 1 . . . . . 81 LEU CA . 10278 1 942 . 1 1 81 81 LEU CB C 13 44.025 0.300 . 1 . . . . . 81 LEU CB . 10278 1 943 . 1 1 81 81 LEU CD1 C 13 23.874 0.300 . 2 . . . . . 81 LEU CD1 . 10278 1 944 . 1 1 81 81 LEU CD2 C 13 27.411 0.300 . 2 . . . . . 81 LEU CD2 . 10278 1 945 . 1 1 81 81 LEU CG C 13 27.620 0.300 . 1 . . . . . 81 LEU CG . 10278 1 946 . 1 1 81 81 LEU N N 15 121.062 0.300 . 1 . . . . . 81 LEU N . 10278 1 947 . 1 1 82 82 LEU H H 1 8.286 0.030 . 1 . . . . . 82 LEU H . 10278 1 948 . 1 1 82 82 LEU HA H 1 5.260 0.030 . 1 . . . . . 82 LEU HA . 10278 1 949 . 1 1 82 82 LEU HB2 H 1 1.422 0.030 . 1 . . . . . 82 LEU HB2 . 10278 1 950 . 1 1 82 82 LEU HB3 H 1 1.422 0.030 . 1 . . . . . 82 LEU HB3 . 10278 1 951 . 1 1 82 82 LEU HD11 H 1 0.743 0.030 . 1 . . . . . 82 LEU HD1 . 10278 1 952 . 1 1 82 82 LEU HD12 H 1 0.743 0.030 . 1 . . . . . 82 LEU HD1 . 10278 1 953 . 1 1 82 82 LEU HD13 H 1 0.743 0.030 . 1 . . . . . 82 LEU HD1 . 10278 1 954 . 1 1 82 82 LEU HD21 H 1 0.753 0.030 . 1 . . . . . 82 LEU HD2 . 10278 1 955 . 1 1 82 82 LEU HD22 H 1 0.753 0.030 . 1 . . . . . 82 LEU HD2 . 10278 1 956 . 1 1 82 82 LEU HD23 H 1 0.753 0.030 . 1 . . . . . 82 LEU HD2 . 10278 1 957 . 1 1 82 82 LEU HG H 1 1.525 0.030 . 1 . . . . . 82 LEU HG . 10278 1 958 . 1 1 82 82 LEU C C 13 175.122 0.300 . 1 . . . . . 82 LEU C . 10278 1 959 . 1 1 82 82 LEU CA C 13 55.334 0.300 . 1 . . . . . 82 LEU CA . 10278 1 960 . 1 1 82 82 LEU CB C 13 46.064 0.300 . 1 . . . . . 82 LEU CB . 10278 1 961 . 1 1 82 82 LEU CD1 C 13 26.150 0.300 . 2 . . . . . 82 LEU CD1 . 10278 1 962 . 1 1 82 82 LEU CD2 C 13 25.910 0.300 . 2 . . . . . 82 LEU CD2 . 10278 1 963 . 1 1 82 82 LEU CG C 13 27.137 0.300 . 1 . . . . . 82 LEU CG . 10278 1 964 . 1 1 82 82 LEU N N 15 118.524 0.300 . 1 . . . . . 82 LEU N . 10278 1 965 . 1 1 83 83 THR H H 1 9.095 0.030 . 1 . . . . . 83 THR H . 10278 1 966 . 1 1 83 83 THR HA H 1 5.305 0.030 . 1 . . . . . 83 THR HA . 10278 1 967 . 1 1 83 83 THR HB H 1 3.876 0.030 . 1 . . . . . 83 THR HB . 10278 1 968 . 1 1 83 83 THR HG21 H 1 0.985 0.030 . 1 . . . . . 83 THR HG2 . 10278 1 969 . 1 1 83 83 THR HG22 H 1 0.985 0.030 . 1 . . . . . 83 THR HG2 . 10278 1 970 . 1 1 83 83 THR HG23 H 1 0.985 0.030 . 1 . . . . . 83 THR HG2 . 10278 1 971 . 1 1 83 83 THR C C 13 173.754 0.300 . 1 . . . . . 83 THR C . 10278 1 972 . 1 1 83 83 THR CA C 13 61.076 0.300 . 1 . . . . . 83 THR CA . 10278 1 973 . 1 1 83 83 THR CB C 13 71.268 0.300 . 1 . . . . . 83 THR CB . 10278 1 974 . 1 1 83 83 THR CG2 C 13 22.394 0.300 . 1 . . . . . 83 THR CG2 . 10278 1 975 . 1 1 83 83 THR N N 15 120.894 0.300 . 1 . . . . . 83 THR N . 10278 1 976 . 1 1 84 84 VAL H H 1 9.175 0.030 . 1 . . . . . 84 VAL H . 10278 1 977 . 1 1 84 84 VAL HA H 1 4.205 0.030 . 1 . . . . . 84 VAL HA . 10278 1 978 . 1 1 84 84 VAL HB H 1 2.125 0.030 . 1 . . . . . 84 VAL HB . 10278 1 979 . 1 1 84 84 VAL HG11 H 1 0.766 0.030 . 1 . . . . . 84 VAL HG1 . 10278 1 980 . 1 1 84 84 VAL HG12 H 1 0.766 0.030 . 1 . . . . . 84 VAL HG1 . 10278 1 981 . 1 1 84 84 VAL HG13 H 1 0.766 0.030 . 1 . . . . . 84 VAL HG1 . 10278 1 982 . 1 1 84 84 VAL HG21 H 1 0.688 0.030 . 1 . . . . . 84 VAL HG2 . 10278 1 983 . 1 1 84 84 VAL HG22 H 1 0.688 0.030 . 1 . . . . . 84 VAL HG2 . 10278 1 984 . 1 1 84 84 VAL HG23 H 1 0.688 0.030 . 1 . . . . . 84 VAL HG2 . 10278 1 985 . 1 1 84 84 VAL C C 13 173.741 0.300 . 1 . . . . . 84 VAL C . 10278 1 986 . 1 1 84 84 VAL CA C 13 61.182 0.300 . 1 . . . . . 84 VAL CA . 10278 1 987 . 1 1 84 84 VAL CB C 13 32.921 0.300 . 1 . . . . . 84 VAL CB . 10278 1 988 . 1 1 84 84 VAL CG1 C 13 20.995 0.300 . 2 . . . . . 84 VAL CG1 . 10278 1 989 . 1 1 84 84 VAL CG2 C 13 20.161 0.300 . 2 . . . . . 84 VAL CG2 . 10278 1 990 . 1 1 84 84 VAL N N 15 127.342 0.300 . 1 . . . . . 84 VAL N . 10278 1 991 . 1 1 85 85 ASN H H 1 8.597 0.030 . 1 . . . . . 85 ASN H . 10278 1 992 . 1 1 85 85 ASN HA H 1 4.960 0.030 . 1 . . . . . 85 ASN HA . 10278 1 993 . 1 1 85 85 ASN HB2 H 1 2.955 0.030 . 2 . . . . . 85 ASN HB2 . 10278 1 994 . 1 1 85 85 ASN HB3 H 1 2.637 0.030 . 2 . . . . . 85 ASN HB3 . 10278 1 995 . 1 1 85 85 ASN HD21 H 1 6.704 0.030 . 2 . . . . . 85 ASN HD21 . 10278 1 996 . 1 1 85 85 ASN HD22 H 1 8.095 0.030 . 2 . . . . . 85 ASN HD22 . 10278 1 997 . 1 1 85 85 ASN C C 13 174.440 0.300 . 1 . . . . . 85 ASN C . 10278 1 998 . 1 1 85 85 ASN CA C 13 52.870 0.300 . 1 . . . . . 85 ASN CA . 10278 1 999 . 1 1 85 85 ASN CB C 13 39.214 0.300 . 1 . . . . . 85 ASN CB . 10278 1 1000 . 1 1 85 85 ASN N N 15 125.999 0.300 . 1 . . . . . 85 ASN N . 10278 1 1001 . 1 1 85 85 ASN ND2 N 15 114.057 0.300 . 1 . . . . . 85 ASN ND2 . 10278 1 1002 . 1 1 86 86 LEU H H 1 8.283 0.030 . 1 . . . . . 86 LEU H . 10278 1 1003 . 1 1 86 86 LEU HA H 1 5.176 0.030 . 1 . . . . . 86 LEU HA . 10278 1 1004 . 1 1 86 86 LEU HB2 H 1 1.615 0.030 . 1 . . . . . 86 LEU HB2 . 10278 1 1005 . 1 1 86 86 LEU HB3 H 1 1.615 0.030 . 1 . . . . . 86 LEU HB3 . 10278 1 1006 . 1 1 86 86 LEU HD11 H 1 0.883 0.030 . 1 . . . . . 86 LEU HD1 . 10278 1 1007 . 1 1 86 86 LEU HD12 H 1 0.883 0.030 . 1 . . . . . 86 LEU HD1 . 10278 1 1008 . 1 1 86 86 LEU HD13 H 1 0.883 0.030 . 1 . . . . . 86 LEU HD1 . 10278 1 1009 . 1 1 86 86 LEU HD21 H 1 0.784 0.030 . 1 . . . . . 86 LEU HD2 . 10278 1 1010 . 1 1 86 86 LEU HD22 H 1 0.784 0.030 . 1 . . . . . 86 LEU HD2 . 10278 1 1011 . 1 1 86 86 LEU HD23 H 1 0.784 0.030 . 1 . . . . . 86 LEU HD2 . 10278 1 1012 . 1 1 86 86 LEU HG H 1 1.570 0.030 . 1 . . . . . 86 LEU HG . 10278 1 1013 . 1 1 86 86 LEU C C 13 178.644 0.300 . 1 . . . . . 86 LEU C . 10278 1 1014 . 1 1 86 86 LEU CA C 13 53.700 0.300 . 1 . . . . . 86 LEU CA . 10278 1 1015 . 1 1 86 86 LEU CB C 13 42.298 0.300 . 1 . . . . . 86 LEU CB . 10278 1 1016 . 1 1 86 86 LEU CD1 C 13 25.660 0.300 . 2 . . . . . 86 LEU CD1 . 10278 1 1017 . 1 1 86 86 LEU CD2 C 13 23.134 0.300 . 2 . . . . . 86 LEU CD2 . 10278 1 1018 . 1 1 86 86 LEU CG C 13 27.493 0.300 . 1 . . . . . 86 LEU CG . 10278 1 1019 . 1 1 86 86 LEU N N 15 125.763 0.300 . 1 . . . . . 86 LEU N . 10278 1 1020 . 1 1 87 87 ARG H H 1 8.655 0.030 . 1 . . . . . 87 ARG H . 10278 1 1021 . 1 1 87 87 ARG HA H 1 3.905 0.030 . 1 . . . . . 87 ARG HA . 10278 1 1022 . 1 1 87 87 ARG HB2 H 1 2.005 0.030 . 1 . . . . . 87 ARG HB2 . 10278 1 1023 . 1 1 87 87 ARG HB3 H 1 2.005 0.030 . 1 . . . . . 87 ARG HB3 . 10278 1 1024 . 1 1 87 87 ARG HD2 H 1 3.203 0.030 . 2 . . . . . 87 ARG HD2 . 10278 1 1025 . 1 1 87 87 ARG HD3 H 1 3.125 0.030 . 2 . . . . . 87 ARG HD3 . 10278 1 1026 . 1 1 87 87 ARG HG2 H 1 1.282 0.030 . 2 . . . . . 87 ARG HG2 . 10278 1 1027 . 1 1 87 87 ARG HG3 H 1 1.475 0.030 . 2 . . . . . 87 ARG HG3 . 10278 1 1028 . 1 1 87 87 ARG C C 13 177.223 0.300 . 1 . . . . . 87 ARG C . 10278 1 1029 . 1 1 87 87 ARG CA C 13 59.717 0.300 . 1 . . . . . 87 ARG CA . 10278 1 1030 . 1 1 87 87 ARG CB C 13 29.280 0.300 . 1 . . . . . 87 ARG CB . 10278 1 1031 . 1 1 87 87 ARG CD C 13 43.367 0.300 . 1 . . . . . 87 ARG CD . 10278 1 1032 . 1 1 87 87 ARG CG C 13 28.850 0.300 . 1 . . . . . 87 ARG CG . 10278 1 1033 . 1 1 87 87 ARG N N 15 123.105 0.300 . 1 . . . . . 87 ARG N . 10278 1 1034 . 1 1 88 88 GLU H H 1 8.525 0.030 . 1 . . . . . 88 GLU H . 10278 1 1035 . 1 1 88 88 GLU HA H 1 4.515 0.030 . 1 . . . . . 88 GLU HA . 10278 1 1036 . 1 1 88 88 GLU HB2 H 1 2.097 0.030 . 1 . . . . . 88 GLU HB2 . 10278 1 1037 . 1 1 88 88 GLU HB3 H 1 2.097 0.030 . 1 . . . . . 88 GLU HB3 . 10278 1 1038 . 1 1 88 88 GLU HG2 H 1 2.235 0.030 . 1 . . . . . 88 GLU HG2 . 10278 1 1039 . 1 1 88 88 GLU HG3 H 1 2.235 0.030 . 1 . . . . . 88 GLU HG3 . 10278 1 1040 . 1 1 88 88 GLU C C 13 175.762 0.300 . 1 . . . . . 88 GLU C . 10278 1 1041 . 1 1 88 88 GLU CA C 13 55.852 0.300 . 1 . . . . . 88 GLU CA . 10278 1 1042 . 1 1 88 88 GLU CB C 13 30.249 0.300 . 1 . . . . . 88 GLU CB . 10278 1 1043 . 1 1 88 88 GLU CG C 13 36.047 0.300 . 1 . . . . . 88 GLU CG . 10278 1 1044 . 1 1 88 88 GLU N N 15 117.722 0.300 . 1 . . . . . 88 GLU N . 10278 1 1045 . 1 1 89 89 GLY H H 1 8.063 0.030 . 1 . . . . . 89 GLY H . 10278 1 1046 . 1 1 89 89 GLY HA2 H 1 3.735 0.030 . 2 . . . . . 89 GLY HA2 . 10278 1 1047 . 1 1 89 89 GLY HA3 H 1 4.536 0.030 . 2 . . . . . 89 GLY HA3 . 10278 1 1048 . 1 1 89 89 GLY C C 13 173.864 0.300 . 1 . . . . . 89 GLY C . 10278 1 1049 . 1 1 89 89 GLY CA C 13 44.222 0.300 . 1 . . . . . 89 GLY CA . 10278 1 1050 . 1 1 89 89 GLY N N 15 110.616 0.300 . 1 . . . . . 89 GLY N . 10278 1 1051 . 1 1 90 90 SER H H 1 8.094 0.030 . 1 . . . . . 90 SER H . 10278 1 1052 . 1 1 90 90 SER HA H 1 4.484 0.030 . 1 . . . . . 90 SER HA . 10278 1 1053 . 1 1 90 90 SER HB2 H 1 3.874 0.030 . 2 . . . . . 90 SER HB2 . 10278 1 1054 . 1 1 90 90 SER HB3 H 1 3.844 0.030 . 2 . . . . . 90 SER HB3 . 10278 1 1055 . 1 1 90 90 SER C C 13 172.813 0.300 . 1 . . . . . 90 SER C . 10278 1 1056 . 1 1 90 90 SER CA C 13 58.552 0.300 . 1 . . . . . 90 SER CA . 10278 1 1057 . 1 1 90 90 SER CB C 13 63.915 0.300 . 1 . . . . . 90 SER CB . 10278 1 1058 . 1 1 90 90 SER N N 15 116.620 0.300 . 1 . . . . . 90 SER N . 10278 1 1059 . 1 1 91 91 ARG H H 1 8.285 0.030 . 1 . . . . . 91 ARG H . 10278 1 1060 . 1 1 91 91 ARG HA H 1 4.725 0.030 . 1 . . . . . 91 ARG HA . 10278 1 1061 . 1 1 91 91 ARG HB2 H 1 1.595 0.030 . 2 . . . . . 91 ARG HB2 . 10278 1 1062 . 1 1 91 91 ARG HB3 H 1 1.535 0.030 . 2 . . . . . 91 ARG HB3 . 10278 1 1063 . 1 1 91 91 ARG HD2 H 1 3.011 0.030 . 2 . . . . . 91 ARG HD2 . 10278 1 1064 . 1 1 91 91 ARG HD3 H 1 3.054 0.030 . 2 . . . . . 91 ARG HD3 . 10278 1 1065 . 1 1 91 91 ARG HG2 H 1 1.275 0.030 . 1 . . . . . 91 ARG HG2 . 10278 1 1066 . 1 1 91 91 ARG HG3 H 1 1.275 0.030 . 1 . . . . . 91 ARG HG3 . 10278 1 1067 . 1 1 91 91 ARG C C 13 175.511 0.300 . 1 . . . . . 91 ARG C . 10278 1 1068 . 1 1 91 91 ARG CA C 13 55.870 0.300 . 1 . . . . . 91 ARG CA . 10278 1 1069 . 1 1 91 91 ARG CB C 13 32.058 0.300 . 1 . . . . . 91 ARG CB . 10278 1 1070 . 1 1 91 91 ARG CD C 13 44.108 0.300 . 1 . . . . . 91 ARG CD . 10278 1 1071 . 1 1 91 91 ARG CG C 13 26.424 0.300 . 1 . . . . . 91 ARG CG . 10278 1 1072 . 1 1 91 91 ARG N N 15 121.045 0.300 . 1 . . . . . 91 ARG N . 10278 1 1073 . 1 1 92 92 LEU H H 1 8.485 0.030 . 1 . . . . . 92 LEU H . 10278 1 1074 . 1 1 92 92 LEU HA H 1 4.555 0.030 . 1 . . . . . 92 LEU HA . 10278 1 1075 . 1 1 92 92 LEU HB2 H 1 1.506 0.030 . 2 . . . . . 92 LEU HB2 . 10278 1 1076 . 1 1 92 92 LEU HB3 H 1 1.314 0.030 . 2 . . . . . 92 LEU HB3 . 10278 1 1077 . 1 1 92 92 LEU HD11 H 1 0.883 0.030 . 1 . . . . . 92 LEU HD1 . 10278 1 1078 . 1 1 92 92 LEU HD12 H 1 0.883 0.030 . 1 . . . . . 92 LEU HD1 . 10278 1 1079 . 1 1 92 92 LEU HD13 H 1 0.883 0.030 . 1 . . . . . 92 LEU HD1 . 10278 1 1080 . 1 1 92 92 LEU HD21 H 1 0.836 0.030 . 1 . . . . . 92 LEU HD2 . 10278 1 1081 . 1 1 92 92 LEU HD22 H 1 0.836 0.030 . 1 . . . . . 92 LEU HD2 . 10278 1 1082 . 1 1 92 92 LEU HD23 H 1 0.836 0.030 . 1 . . . . . 92 LEU HD2 . 10278 1 1083 . 1 1 92 92 LEU HG H 1 1.582 0.030 . 1 . . . . . 92 LEU HG . 10278 1 1084 . 1 1 92 92 LEU C C 13 174.815 0.300 . 1 . . . . . 92 LEU C . 10278 1 1085 . 1 1 92 92 LEU CA C 13 53.629 0.300 . 1 . . . . . 92 LEU CA . 10278 1 1086 . 1 1 92 92 LEU CB C 13 44.066 0.300 . 1 . . . . . 92 LEU CB . 10278 1 1087 . 1 1 92 92 LEU CD1 C 13 25.566 0.300 . 2 . . . . . 92 LEU CD1 . 10278 1 1088 . 1 1 92 92 LEU CD2 C 13 24.779 0.300 . 2 . . . . . 92 LEU CD2 . 10278 1 1089 . 1 1 92 92 LEU CG C 13 27.137 0.300 . 1 . . . . . 92 LEU CG . 10278 1 1090 . 1 1 92 92 LEU N N 15 123.633 0.300 . 1 . . . . . 92 LEU N . 10278 1 1091 . 1 1 93 93 HIS H H 1 8.871 0.030 . 1 . . . . . 93 HIS H . 10278 1 1092 . 1 1 93 93 HIS HA H 1 5.135 0.030 . 1 . . . . . 93 HIS HA . 10278 1 1093 . 1 1 93 93 HIS HB2 H 1 2.749 0.030 . 1 . . . . . 93 HIS HB2 . 10278 1 1094 . 1 1 93 93 HIS HB3 H 1 2.749 0.030 . 1 . . . . . 93 HIS HB3 . 10278 1 1095 . 1 1 93 93 HIS HD2 H 1 6.875 0.030 . 1 . . . . . 93 HIS HD2 . 10278 1 1096 . 1 1 93 93 HIS HE1 H 1 7.645 0.030 . 1 . . . . . 93 HIS HE1 . 10278 1 1097 . 1 1 93 93 HIS C C 13 173.251 0.300 . 1 . . . . . 93 HIS C . 10278 1 1098 . 1 1 93 93 HIS CA C 13 56.135 0.300 . 1 . . . . . 93 HIS CA . 10278 1 1099 . 1 1 93 93 HIS CB C 13 30.701 0.300 . 1 . . . . . 93 HIS CB . 10278 1 1100 . 1 1 93 93 HIS CE1 C 13 138.089 0.300 . 1 . . . . . 93 HIS CE1 . 10278 1 1101 . 1 1 93 93 HIS N N 15 124.492 0.300 . 1 . . . . . 93 HIS N . 10278 1 1102 . 1 1 94 94 LEU H H 1 9.105 0.030 . 1 . . . . . 94 LEU H . 10278 1 1103 . 1 1 94 94 LEU HA H 1 5.940 0.030 . 1 . . . . . 94 LEU HA . 10278 1 1104 . 1 1 94 94 LEU HB2 H 1 1.848 0.030 . 2 . . . . . 94 LEU HB2 . 10278 1 1105 . 1 1 94 94 LEU HB3 H 1 1.129 0.030 . 2 . . . . . 94 LEU HB3 . 10278 1 1106 . 1 1 94 94 LEU HD11 H 1 0.142 0.030 . 1 . . . . . 94 LEU HD1 . 10278 1 1107 . 1 1 94 94 LEU HD12 H 1 0.142 0.030 . 1 . . . . . 94 LEU HD1 . 10278 1 1108 . 1 1 94 94 LEU HD13 H 1 0.142 0.030 . 1 . . . . . 94 LEU HD1 . 10278 1 1109 . 1 1 94 94 LEU HD21 H 1 0.585 0.030 . 1 . . . . . 94 LEU HD2 . 10278 1 1110 . 1 1 94 94 LEU HD22 H 1 0.585 0.030 . 1 . . . . . 94 LEU HD2 . 10278 1 1111 . 1 1 94 94 LEU HD23 H 1 0.585 0.030 . 1 . . . . . 94 LEU HD2 . 10278 1 1112 . 1 1 94 94 LEU HG H 1 1.355 0.030 . 1 . . . . . 94 LEU HG . 10278 1 1113 . 1 1 94 94 LEU C C 13 177.396 0.300 . 1 . . . . . 94 LEU C . 10278 1 1114 . 1 1 94 94 LEU CA C 13 52.552 0.300 . 1 . . . . . 94 LEU CA . 10278 1 1115 . 1 1 94 94 LEU CB C 13 45.465 0.300 . 1 . . . . . 94 LEU CB . 10278 1 1116 . 1 1 94 94 LEU CD1 C 13 23.710 0.300 . 2 . . . . . 94 LEU CD1 . 10278 1 1117 . 1 1 94 94 LEU CD2 C 13 24.650 0.300 . 2 . . . . . 94 LEU CD2 . 10278 1 1118 . 1 1 94 94 LEU CG C 13 27.164 0.300 . 1 . . . . . 94 LEU CG . 10278 1 1119 . 1 1 94 94 LEU N N 15 122.911 0.300 . 1 . . . . . 94 LEU N . 10278 1 1120 . 1 1 95 95 CYS H H 1 8.953 0.030 . 1 . . . . . 95 CYS H . 10278 1 1121 . 1 1 95 95 CYS HA H 1 4.863 0.030 . 1 . . . . . 95 CYS HA . 10278 1 1122 . 1 1 95 95 CYS HB2 H 1 2.272 0.030 . 2 . . . . . 95 CYS HB2 . 10278 1 1123 . 1 1 95 95 CYS HB3 H 1 1.905 0.030 . 2 . . . . . 95 CYS HB3 . 10278 1 1124 . 1 1 95 95 CYS C C 13 172.585 0.300 . 1 . . . . . 95 CYS C . 10278 1 1125 . 1 1 95 95 CYS CA C 13 59.964 0.300 . 1 . . . . . 95 CYS CA . 10278 1 1126 . 1 1 95 95 CYS CB C 13 29.220 0.300 . 1 . . . . . 95 CYS CB . 10278 1 1127 . 1 1 95 95 CYS N N 15 118.920 0.300 . 1 . . . . . 95 CYS N . 10278 1 1128 . 1 1 96 96 ALA H H 1 9.465 0.030 . 1 . . . . . 96 ALA H . 10278 1 1129 . 1 1 96 96 ALA HA H 1 5.035 0.030 . 1 . . . . . 96 ALA HA . 10278 1 1130 . 1 1 96 96 ALA HB1 H 1 1.710 0.030 . 1 . . . . . 96 ALA HB . 10278 1 1131 . 1 1 96 96 ALA HB2 H 1 1.710 0.030 . 1 . . . . . 96 ALA HB . 10278 1 1132 . 1 1 96 96 ALA HB3 H 1 1.710 0.030 . 1 . . . . . 96 ALA HB . 10278 1 1133 . 1 1 96 96 ALA C C 13 177.396 0.300 . 1 . . . . . 96 ALA C . 10278 1 1134 . 1 1 96 96 ALA CA C 13 50.205 0.300 . 1 . . . . . 96 ALA CA . 10278 1 1135 . 1 1 96 96 ALA CB C 13 21.571 0.300 . 1 . . . . . 96 ALA CB . 10278 1 1136 . 1 1 96 96 ALA N N 15 132.924 0.300 . 1 . . . . . 96 ALA N . 10278 1 1137 . 1 1 97 97 GLU H H 1 9.636 0.030 . 1 . . . . . 97 GLU H . 10278 1 1138 . 1 1 97 97 GLU HA H 1 4.344 0.030 . 1 . . . . . 97 GLU HA . 10278 1 1139 . 1 1 97 97 GLU HB2 H 1 2.345 0.030 . 2 . . . . . 97 GLU HB2 . 10278 1 1140 . 1 1 97 97 GLU HB3 H 1 2.097 0.030 . 2 . . . . . 97 GLU HB3 . 10278 1 1141 . 1 1 97 97 GLU HG2 H 1 2.603 0.030 . 2 . . . . . 97 GLU HG2 . 10278 1 1142 . 1 1 97 97 GLU HG3 H 1 2.496 0.030 . 2 . . . . . 97 GLU HG3 . 10278 1 1143 . 1 1 97 97 GLU C C 13 176.882 0.300 . 1 . . . . . 97 GLU C . 10278 1 1144 . 1 1 97 97 GLU CA C 13 58.040 0.300 . 1 . . . . . 97 GLU CA . 10278 1 1145 . 1 1 97 97 GLU CB C 13 30.207 0.300 . 1 . . . . . 97 GLU CB . 10278 1 1146 . 1 1 97 97 GLU CG C 13 35.718 0.300 . 1 . . . . . 97 GLU CG . 10278 1 1147 . 1 1 97 97 GLU N N 15 116.636 0.300 . 1 . . . . . 97 GLU N . 10278 1 1148 . 1 1 98 98 THR H H 1 7.155 0.030 . 1 . . . . . 98 THR H . 10278 1 1149 . 1 1 98 98 THR HA H 1 4.684 0.030 . 1 . . . . . 98 THR HA . 10278 1 1150 . 1 1 98 98 THR HB H 1 4.580 0.030 . 1 . . . . . 98 THR HB . 10278 1 1151 . 1 1 98 98 THR HG21 H 1 1.257 0.030 . 1 . . . . . 98 THR HG2 . 10278 1 1152 . 1 1 98 98 THR HG22 H 1 1.257 0.030 . 1 . . . . . 98 THR HG2 . 10278 1 1153 . 1 1 98 98 THR HG23 H 1 1.257 0.030 . 1 . . . . . 98 THR HG2 . 10278 1 1154 . 1 1 98 98 THR C C 13 174.259 0.300 . 1 . . . . . 98 THR C . 10278 1 1155 . 1 1 98 98 THR CA C 13 58.323 0.300 . 1 . . . . . 98 THR CA . 10278 1 1156 . 1 1 98 98 THR CB C 13 73.529 0.300 . 1 . . . . . 98 THR CB . 10278 1 1157 . 1 1 98 98 THR CG2 C 13 22.107 0.300 . 1 . . . . . 98 THR CG2 . 10278 1 1158 . 1 1 98 98 THR N N 15 102.167 0.300 . 1 . . . . . 98 THR N . 10278 1 1159 . 1 1 99 99 ARG H H 1 9.025 0.030 . 1 . . . . . 99 ARG H . 10278 1 1160 . 1 1 99 99 ARG HA H 1 4.056 0.030 . 1 . . . . . 99 ARG HA . 10278 1 1161 . 1 1 99 99 ARG HB2 H 1 1.765 0.030 . 1 . . . . . 99 ARG HB2 . 10278 1 1162 . 1 1 99 99 ARG HB3 H 1 1.765 0.030 . 1 . . . . . 99 ARG HB3 . 10278 1 1163 . 1 1 99 99 ARG HD2 H 1 3.245 0.030 . 2 . . . . . 99 ARG HD2 . 10278 1 1164 . 1 1 99 99 ARG HD3 H 1 3.193 0.030 . 2 . . . . . 99 ARG HD3 . 10278 1 1165 . 1 1 99 99 ARG HG2 H 1 1.775 0.030 . 2 . . . . . 99 ARG HG2 . 10278 1 1166 . 1 1 99 99 ARG HG3 H 1 1.535 0.030 . 2 . . . . . 99 ARG HG3 . 10278 1 1167 . 1 1 99 99 ARG C C 13 177.995 0.300 . 1 . . . . . 99 ARG C . 10278 1 1168 . 1 1 99 99 ARG CA C 13 59.029 0.300 . 1 . . . . . 99 ARG CA . 10278 1 1169 . 1 1 99 99 ARG CB C 13 30.208 0.300 . 1 . . . . . 99 ARG CB . 10278 1 1170 . 1 1 99 99 ARG CD C 13 43.470 0.300 . 1 . . . . . 99 ARG CD . 10278 1 1171 . 1 1 99 99 ARG CG C 13 27.164 0.300 . 1 . . . . . 99 ARG CG . 10278 1 1172 . 1 1 99 99 ARG N N 15 122.747 0.300 . 1 . . . . . 99 ARG N . 10278 1 1173 . 1 1 100 100 ASP H H 1 8.387 0.030 . 1 . . . . . 100 ASP H . 10278 1 1174 . 1 1 100 100 ASP HA H 1 4.306 0.030 . 1 . . . . . 100 ASP HA . 10278 1 1175 . 1 1 100 100 ASP HB2 H 1 2.635 0.030 . 2 . . . . . 100 ASP HB2 . 10278 1 1176 . 1 1 100 100 ASP HB3 H 1 2.546 0.030 . 2 . . . . . 100 ASP HB3 . 10278 1 1177 . 1 1 100 100 ASP C C 13 179.110 0.300 . 1 . . . . . 100 ASP C . 10278 1 1178 . 1 1 100 100 ASP CA C 13 57.475 0.300 . 1 . . . . . 100 ASP CA . 10278 1 1179 . 1 1 100 100 ASP CB C 13 40.201 0.300 . 1 . . . . . 100 ASP CB . 10278 1 1180 . 1 1 100 100 ASP N N 15 116.422 0.300 . 1 . . . . . 100 ASP N . 10278 1 1181 . 1 1 101 101 ASP H H 1 8.046 0.030 . 1 . . . . . 101 ASP H . 10278 1 1182 . 1 1 101 101 ASP HA H 1 4.576 0.030 . 1 . . . . . 101 ASP HA . 10278 1 1183 . 1 1 101 101 ASP HB2 H 1 2.804 0.030 . 2 . . . . . 101 ASP HB2 . 10278 1 1184 . 1 1 101 101 ASP HB3 H 1 2.735 0.030 . 2 . . . . . 101 ASP HB3 . 10278 1 1185 . 1 1 101 101 ASP C C 13 177.751 0.300 . 1 . . . . . 101 ASP C . 10278 1 1186 . 1 1 101 101 ASP CA C 13 57.229 0.300 . 1 . . . . . 101 ASP CA . 10278 1 1187 . 1 1 101 101 ASP CB C 13 42.093 0.300 . 1 . . . . . 101 ASP CB . 10278 1 1188 . 1 1 101 101 ASP N N 15 120.742 0.300 . 1 . . . . . 101 ASP N . 10278 1 1189 . 1 1 102 102 ALA H H 1 7.674 0.030 . 1 . . . . . 102 ALA H . 10278 1 1190 . 1 1 102 102 ALA HA H 1 4.084 0.030 . 1 . . . . . 102 ALA HA . 10278 1 1191 . 1 1 102 102 ALA HB1 H 1 1.635 0.030 . 1 . . . . . 102 ALA HB . 10278 1 1192 . 1 1 102 102 ALA HB2 H 1 1.635 0.030 . 1 . . . . . 102 ALA HB . 10278 1 1193 . 1 1 102 102 ALA HB3 H 1 1.635 0.030 . 1 . . . . . 102 ALA HB . 10278 1 1194 . 1 1 102 102 ALA C C 13 179.609 0.300 . 1 . . . . . 102 ALA C . 10278 1 1195 . 1 1 102 102 ALA CA C 13 56.364 0.300 . 1 . . . . . 102 ALA CA . 10278 1 1196 . 1 1 102 102 ALA CB C 13 17.952 0.300 . 1 . . . . . 102 ALA CB . 10278 1 1197 . 1 1 102 102 ALA N N 15 122.523 0.300 . 1 . . . . . 102 ALA N . 10278 1 1198 . 1 1 103 103 ILE H H 1 8.499 0.030 . 1 . . . . . 103 ILE H . 10278 1 1199 . 1 1 103 103 ILE HA H 1 3.681 0.030 . 1 . . . . . 103 ILE HA . 10278 1 1200 . 1 1 103 103 ILE HB H 1 2.005 0.030 . 1 . . . . . 103 ILE HB . 10278 1 1201 . 1 1 103 103 ILE HD11 H 1 0.855 0.030 . 1 . . . . . 103 ILE HD1 . 10278 1 1202 . 1 1 103 103 ILE HD12 H 1 0.855 0.030 . 1 . . . . . 103 ILE HD1 . 10278 1 1203 . 1 1 103 103 ILE HD13 H 1 0.855 0.030 . 1 . . . . . 103 ILE HD1 . 10278 1 1204 . 1 1 103 103 ILE HG12 H 1 1.346 0.030 . 2 . . . . . 103 ILE HG12 . 10278 1 1205 . 1 1 103 103 ILE HG13 H 1 1.727 0.030 . 2 . . . . . 103 ILE HG13 . 10278 1 1206 . 1 1 103 103 ILE HG21 H 1 0.914 0.030 . 1 . . . . . 103 ILE HG2 . 10278 1 1207 . 1 1 103 103 ILE HG22 H 1 0.914 0.030 . 1 . . . . . 103 ILE HG2 . 10278 1 1208 . 1 1 103 103 ILE HG23 H 1 0.914 0.030 . 1 . . . . . 103 ILE HG2 . 10278 1 1209 . 1 1 103 103 ILE C C 13 178.622 0.300 . 1 . . . . . 103 ILE C . 10278 1 1210 . 1 1 103 103 ILE CA C 13 64.182 0.300 . 1 . . . . . 103 ILE CA . 10278 1 1211 . 1 1 103 103 ILE CB C 13 37.240 0.300 . 1 . . . . . 103 ILE CB . 10278 1 1212 . 1 1 103 103 ILE CD1 C 13 12.277 0.300 . 1 . . . . . 103 ILE CD1 . 10278 1 1213 . 1 1 103 103 ILE CG1 C 13 28.850 0.300 . 1 . . . . . 103 ILE CG1 . 10278 1 1214 . 1 1 103 103 ILE CG2 C 13 17.070 0.300 . 1 . . . . . 103 ILE CG2 . 10278 1 1215 . 1 1 103 103 ILE N N 15 117.417 0.300 . 1 . . . . . 103 ILE N . 10278 1 1216 . 1 1 104 104 ALA H H 1 8.174 0.030 . 1 . . . . . 104 ALA H . 10278 1 1217 . 1 1 104 104 ALA HA H 1 4.095 0.030 . 1 . . . . . 104 ALA HA . 10278 1 1218 . 1 1 104 104 ALA HB1 H 1 1.406 0.030 . 1 . . . . . 104 ALA HB . 10278 1 1219 . 1 1 104 104 ALA HB2 H 1 1.406 0.030 . 1 . . . . . 104 ALA HB . 10278 1 1220 . 1 1 104 104 ALA HB3 H 1 1.406 0.030 . 1 . . . . . 104 ALA HB . 10278 1 1221 . 1 1 104 104 ALA C C 13 181.998 0.300 . 1 . . . . . 104 ALA C . 10278 1 1222 . 1 1 104 104 ALA CA C 13 55.517 0.300 . 1 . . . . . 104 ALA CA . 10278 1 1223 . 1 1 104 104 ALA CB C 13 17.294 0.300 . 1 . . . . . 104 ALA CB . 10278 1 1224 . 1 1 104 104 ALA N N 15 124.916 0.300 . 1 . . . . . 104 ALA N . 10278 1 1225 . 1 1 105 105 TRP H H 1 8.365 0.030 . 1 . . . . . 105 TRP H . 10278 1 1226 . 1 1 105 105 TRP HA H 1 4.025 0.030 . 1 . . . . . 105 TRP HA . 10278 1 1227 . 1 1 105 105 TRP HB2 H 1 3.325 0.030 . 2 . . . . . 105 TRP HB2 . 10278 1 1228 . 1 1 105 105 TRP HB3 H 1 2.816 0.030 . 2 . . . . . 105 TRP HB3 . 10278 1 1229 . 1 1 105 105 TRP HD1 H 1 7.195 0.030 . 1 . . . . . 105 TRP HD1 . 10278 1 1230 . 1 1 105 105 TRP HE1 H 1 10.975 0.030 . 1 . . . . . 105 TRP HE1 . 10278 1 1231 . 1 1 105 105 TRP HE3 H 1 7.205 0.030 . 1 . . . . . 105 TRP HE3 . 10278 1 1232 . 1 1 105 105 TRP HH2 H 1 6.620 0.030 . 1 . . . . . 105 TRP HH2 . 10278 1 1233 . 1 1 105 105 TRP HZ2 H 1 6.776 0.030 . 1 . . . . . 105 TRP HZ2 . 10278 1 1234 . 1 1 105 105 TRP HZ3 H 1 6.683 0.030 . 1 . . . . . 105 TRP HZ3 . 10278 1 1235 . 1 1 105 105 TRP C C 13 177.969 0.300 . 1 . . . . . 105 TRP C . 10278 1 1236 . 1 1 105 105 TRP CA C 13 62.011 0.300 . 1 . . . . . 105 TRP CA . 10278 1 1237 . 1 1 105 105 TRP CB C 13 29.179 0.300 . 1 . . . . . 105 TRP CB . 10278 1 1238 . 1 1 105 105 TRP CD1 C 13 127.185 0.300 . 1 . . . . . 105 TRP CD1 . 10278 1 1239 . 1 1 105 105 TRP CE3 C 13 118.375 0.300 . 1 . . . . . 105 TRP CE3 . 10278 1 1240 . 1 1 105 105 TRP CH2 C 13 125.168 0.300 . 1 . . . . . 105 TRP CH2 . 10278 1 1241 . 1 1 105 105 TRP CZ2 C 13 114.556 0.300 . 1 . . . . . 105 TRP CZ2 . 10278 1 1242 . 1 1 105 105 TRP CZ3 C 13 121.511 0.300 . 1 . . . . . 105 TRP CZ3 . 10278 1 1243 . 1 1 105 105 TRP N N 15 119.726 0.300 . 1 . . . . . 105 TRP N . 10278 1 1244 . 1 1 105 105 TRP NE1 N 15 130.418 0.300 . 1 . . . . . 105 TRP NE1 . 10278 1 1245 . 1 1 106 106 LYS H H 1 8.746 0.030 . 1 . . . . . 106 LYS H . 10278 1 1246 . 1 1 106 106 LYS HA H 1 3.805 0.030 . 1 . . . . . 106 LYS HA . 10278 1 1247 . 1 1 106 106 LYS HB2 H 1 2.195 0.030 . 2 . . . . . 106 LYS HB2 . 10278 1 1248 . 1 1 106 106 LYS HB3 H 1 1.716 0.030 . 2 . . . . . 106 LYS HB3 . 10278 1 1249 . 1 1 106 106 LYS HD2 H 1 1.619 0.030 . 2 . . . . . 106 LYS HD2 . 10278 1 1250 . 1 1 106 106 LYS HD3 H 1 1.455 0.030 . 2 . . . . . 106 LYS HD3 . 10278 1 1251 . 1 1 106 106 LYS HE2 H 1 2.936 0.030 . 1 . . . . . 106 LYS HE2 . 10278 1 1252 . 1 1 106 106 LYS HE3 H 1 2.936 0.030 . 1 . . . . . 106 LYS HE3 . 10278 1 1253 . 1 1 106 106 LYS HG2 H 1 1.284 0.030 . 2 . . . . . 106 LYS HG2 . 10278 1 1254 . 1 1 106 106 LYS HG3 H 1 1.200 0.030 . 2 . . . . . 106 LYS HG3 . 10278 1 1255 . 1 1 106 106 LYS C C 13 177.626 0.300 . 1 . . . . . 106 LYS C . 10278 1 1256 . 1 1 106 106 LYS CA C 13 60.865 0.300 . 1 . . . . . 106 LYS CA . 10278 1 1257 . 1 1 106 106 LYS CB C 13 31.606 0.300 . 1 . . . . . 106 LYS CB . 10278 1 1258 . 1 1 106 106 LYS CD C 13 30.080 0.300 . 1 . . . . . 106 LYS CD . 10278 1 1259 . 1 1 106 106 LYS CE C 13 42.298 0.300 . 1 . . . . . 106 LYS CE . 10278 1 1260 . 1 1 106 106 LYS CG C 13 25.601 0.300 . 1 . . . . . 106 LYS CG . 10278 1 1261 . 1 1 106 106 LYS N N 15 120.565 0.300 . 1 . . . . . 106 LYS N . 10278 1 1262 . 1 1 107 107 THR H H 1 8.714 0.030 . 1 . . . . . 107 THR H . 10278 1 1263 . 1 1 107 107 THR HA H 1 3.774 0.030 . 1 . . . . . 107 THR HA . 10278 1 1264 . 1 1 107 107 THR HB H 1 4.200 0.030 . 1 . . . . . 107 THR HB . 10278 1 1265 . 1 1 107 107 THR HG21 H 1 1.193 0.030 . 1 . . . . . 107 THR HG2 . 10278 1 1266 . 1 1 107 107 THR HG22 H 1 1.193 0.030 . 1 . . . . . 107 THR HG2 . 10278 1 1267 . 1 1 107 107 THR HG23 H 1 1.193 0.030 . 1 . . . . . 107 THR HG2 . 10278 1 1268 . 1 1 107 107 THR C C 13 176.238 0.300 . 1 . . . . . 107 THR C . 10278 1 1269 . 1 1 107 107 THR CA C 13 66.688 0.300 . 1 . . . . . 107 THR CA . 10278 1 1270 . 1 1 107 107 THR CB C 13 69.065 0.300 . 1 . . . . . 107 THR CB . 10278 1 1271 . 1 1 107 107 THR CG2 C 13 21.324 0.300 . 1 . . . . . 107 THR CG2 . 10278 1 1272 . 1 1 107 107 THR N N 15 115.018 0.300 . 1 . . . . . 107 THR N . 10278 1 1273 . 1 1 108 108 ALA H H 1 7.769 0.030 . 1 . . . . . 108 ALA H . 10278 1 1274 . 1 1 108 108 ALA HA H 1 4.094 0.030 . 1 . . . . . 108 ALA HA . 10278 1 1275 . 1 1 108 108 ALA HB1 H 1 1.176 0.030 . 1 . . . . . 108 ALA HB . 10278 1 1276 . 1 1 108 108 ALA HB2 H 1 1.176 0.030 . 1 . . . . . 108 ALA HB . 10278 1 1277 . 1 1 108 108 ALA HB3 H 1 1.176 0.030 . 1 . . . . . 108 ALA HB . 10278 1 1278 . 1 1 108 108 ALA C C 13 180.611 0.300 . 1 . . . . . 108 ALA C . 10278 1 1279 . 1 1 108 108 ALA CA C 13 55.005 0.300 . 1 . . . . . 108 ALA CA . 10278 1 1280 . 1 1 108 108 ALA CB C 13 18.015 0.300 . 1 . . . . . 108 ALA CB . 10278 1 1281 . 1 1 108 108 ALA N N 15 123.150 0.300 . 1 . . . . . 108 ALA N . 10278 1 1282 . 1 1 109 109 LEU H H 1 8.795 0.030 . 1 . . . . . 109 LEU H . 10278 1 1283 . 1 1 109 109 LEU HA H 1 4.045 0.030 . 1 . . . . . 109 LEU HA . 10278 1 1284 . 1 1 109 109 LEU HB2 H 1 2.076 0.030 . 2 . . . . . 109 LEU HB2 . 10278 1 1285 . 1 1 109 109 LEU HB3 H 1 1.135 0.030 . 2 . . . . . 109 LEU HB3 . 10278 1 1286 . 1 1 109 109 LEU HD11 H 1 0.766 0.030 . 1 . . . . . 109 LEU HD1 . 10278 1 1287 . 1 1 109 109 LEU HD12 H 1 0.766 0.030 . 1 . . . . . 109 LEU HD1 . 10278 1 1288 . 1 1 109 109 LEU HD13 H 1 0.766 0.030 . 1 . . . . . 109 LEU HD1 . 10278 1 1289 . 1 1 109 109 LEU HD21 H 1 1.033 0.030 . 1 . . . . . 109 LEU HD2 . 10278 1 1290 . 1 1 109 109 LEU HD22 H 1 1.033 0.030 . 1 . . . . . 109 LEU HD2 . 10278 1 1291 . 1 1 109 109 LEU HD23 H 1 1.033 0.030 . 1 . . . . . 109 LEU HD2 . 10278 1 1292 . 1 1 109 109 LEU HG H 1 2.265 0.030 . 1 . . . . . 109 LEU HG . 10278 1 1293 . 1 1 109 109 LEU C C 13 178.758 0.300 . 1 . . . . . 109 LEU C . 10278 1 1294 . 1 1 109 109 LEU CA C 13 58.093 0.300 . 1 . . . . . 109 LEU CA . 10278 1 1295 . 1 1 109 109 LEU CB C 13 42.298 0.300 . 1 . . . . . 109 LEU CB . 10278 1 1296 . 1 1 109 109 LEU CD1 C 13 25.601 0.300 . 2 . . . . . 109 LEU CD1 . 10278 1 1297 . 1 1 109 109 LEU CD2 C 13 24.395 0.300 . 2 . . . . . 109 LEU CD2 . 10278 1 1298 . 1 1 109 109 LEU CG C 13 27.411 0.300 . 1 . . . . . 109 LEU CG . 10278 1 1299 . 1 1 109 109 LEU N N 15 118.714 0.300 . 1 . . . . . 109 LEU N . 10278 1 1300 . 1 1 110 110 MET H H 1 8.582 0.030 . 1 . . . . . 110 MET H . 10278 1 1301 . 1 1 110 110 MET HA H 1 4.404 0.030 . 1 . . . . . 110 MET HA . 10278 1 1302 . 1 1 110 110 MET HB2 H 1 2.245 0.030 . 2 . . . . . 110 MET HB2 . 10278 1 1303 . 1 1 110 110 MET HB3 H 1 2.135 0.030 . 2 . . . . . 110 MET HB3 . 10278 1 1304 . 1 1 110 110 MET HE1 H 1 2.074 0.030 . 1 . . . . . 110 MET HE . 10278 1 1305 . 1 1 110 110 MET HE2 H 1 2.074 0.030 . 1 . . . . . 110 MET HE . 10278 1 1306 . 1 1 110 110 MET HE3 H 1 2.074 0.030 . 1 . . . . . 110 MET HE . 10278 1 1307 . 1 1 110 110 MET HG2 H 1 2.764 0.030 . 1 . . . . . 110 MET HG2 . 10278 1 1308 . 1 1 110 110 MET HG3 H 1 2.764 0.030 . 1 . . . . . 110 MET HG3 . 10278 1 1309 . 1 1 110 110 MET C C 13 180.290 0.300 . 1 . . . . . 110 MET C . 10278 1 1310 . 1 1 110 110 MET CA C 13 56.876 0.300 . 1 . . . . . 110 MET CA . 10278 1 1311 . 1 1 110 110 MET CB C 13 30.002 0.300 . 1 . . . . . 110 MET CB . 10278 1 1312 . 1 1 110 110 MET CE C 13 15.638 0.300 . 1 . . . . . 110 MET CE . 10278 1 1313 . 1 1 110 110 MET CG C 13 32.017 0.300 . 1 . . . . . 110 MET CG . 10278 1 1314 . 1 1 110 110 MET N N 15 117.122 0.300 . 1 . . . . . 110 MET N . 10278 1 1315 . 1 1 111 111 GLU H H 1 8.062 0.030 . 1 . . . . . 111 GLU H . 10278 1 1316 . 1 1 111 111 GLU HA H 1 4.126 0.030 . 1 . . . . . 111 GLU HA . 10278 1 1317 . 1 1 111 111 GLU HB2 H 1 2.125 0.030 . 2 . . . . . 111 GLU HB2 . 10278 1 1318 . 1 1 111 111 GLU HB3 H 1 2.055 0.030 . 2 . . . . . 111 GLU HB3 . 10278 1 1319 . 1 1 111 111 GLU HG2 H 1 2.386 0.030 . 2 . . . . . 111 GLU HG2 . 10278 1 1320 . 1 1 111 111 GLU HG3 H 1 2.215 0.030 . 2 . . . . . 111 GLU HG3 . 10278 1 1321 . 1 1 111 111 GLU C C 13 179.237 0.300 . 1 . . . . . 111 GLU C . 10278 1 1322 . 1 1 111 111 GLU CA C 13 59.435 0.300 . 1 . . . . . 111 GLU CA . 10278 1 1323 . 1 1 111 111 GLU CB C 13 29.015 0.300 . 1 . . . . . 111 GLU CB . 10278 1 1324 . 1 1 111 111 GLU CG C 13 36.376 0.300 . 1 . . . . . 111 GLU CG . 10278 1 1325 . 1 1 111 111 GLU N N 15 121.532 0.300 . 1 . . . . . 111 GLU N . 10278 1 1326 . 1 1 112 112 ALA H H 1 7.975 0.030 . 1 . . . . . 112 ALA H . 10278 1 1327 . 1 1 112 112 ALA HA H 1 4.265 0.030 . 1 . . . . . 112 ALA HA . 10278 1 1328 . 1 1 112 112 ALA HB1 H 1 1.583 0.030 . 1 . . . . . 112 ALA HB . 10278 1 1329 . 1 1 112 112 ALA HB2 H 1 1.583 0.030 . 1 . . . . . 112 ALA HB . 10278 1 1330 . 1 1 112 112 ALA HB3 H 1 1.583 0.030 . 1 . . . . . 112 ALA HB . 10278 1 1331 . 1 1 112 112 ALA C C 13 179.608 0.300 . 1 . . . . . 112 ALA C . 10278 1 1332 . 1 1 112 112 ALA CA C 13 54.158 0.300 . 1 . . . . . 112 ALA CA . 10278 1 1333 . 1 1 112 112 ALA CB C 13 19.530 0.300 . 1 . . . . . 112 ALA CB . 10278 1 1334 . 1 1 112 112 ALA N N 15 121.838 0.300 . 1 . . . . . 112 ALA N . 10278 1 1335 . 1 1 113 113 ASN H H 1 8.115 0.030 . 1 . . . . . 113 ASN H . 10278 1 1336 . 1 1 113 113 ASN HA H 1 4.822 0.030 . 1 . . . . . 113 ASN HA . 10278 1 1337 . 1 1 113 113 ASN HB2 H 1 3.162 0.030 . 2 . . . . . 113 ASN HB2 . 10278 1 1338 . 1 1 113 113 ASN HB3 H 1 2.709 0.030 . 2 . . . . . 113 ASN HB3 . 10278 1 1339 . 1 1 113 113 ASN HD21 H 1 6.623 0.030 . 2 . . . . . 113 ASN HD21 . 10278 1 1340 . 1 1 113 113 ASN HD22 H 1 7.775 0.030 . 2 . . . . . 113 ASN HD22 . 10278 1 1341 . 1 1 113 113 ASN C C 13 176.296 0.300 . 1 . . . . . 113 ASN C . 10278 1 1342 . 1 1 113 113 ASN CA C 13 56.311 0.300 . 1 . . . . . 113 ASN CA . 10278 1 1343 . 1 1 113 113 ASN CB C 13 40.283 0.300 . 1 . . . . . 113 ASN CB . 10278 1 1344 . 1 1 113 113 ASN N N 15 115.563 0.300 . 1 . . . . . 113 ASN N . 10278 1 1345 . 1 1 113 113 ASN ND2 N 15 115.614 0.300 . 1 . . . . . 113 ASN ND2 . 10278 1 1346 . 1 1 114 114 SER H H 1 7.365 0.030 . 1 . . . . . 114 SER H . 10278 1 1347 . 1 1 114 114 SER HA H 1 4.545 0.030 . 1 . . . . . 114 SER HA . 10278 1 1348 . 1 1 114 114 SER HB2 H 1 4.025 0.030 . 1 . . . . . 114 SER HB2 . 10278 1 1349 . 1 1 114 114 SER HB3 H 1 4.025 0.030 . 1 . . . . . 114 SER HB3 . 10278 1 1350 . 1 1 114 114 SER C C 13 174.126 0.300 . 1 . . . . . 114 SER C . 10278 1 1351 . 1 1 114 114 SER CA C 13 58.464 0.300 . 1 . . . . . 114 SER CA . 10278 1 1352 . 1 1 114 114 SER CB C 13 64.400 0.300 . 1 . . . . . 114 SER CB . 10278 1 1353 . 1 1 114 114 SER N N 15 108.652 0.300 . 1 . . . . . 114 SER N . 10278 1 1354 . 1 1 115 115 THR H H 1 7.849 0.030 . 1 . . . . . 115 THR H . 10278 1 1355 . 1 1 115 115 THR HA H 1 4.599 0.030 . 1 . . . . . 115 THR HA . 10278 1 1356 . 1 1 115 115 THR HB H 1 4.098 0.030 . 1 . . . . . 115 THR HB . 10278 1 1357 . 1 1 115 115 THR HG21 H 1 1.283 0.030 . 1 . . . . . 115 THR HG2 . 10278 1 1358 . 1 1 115 115 THR HG22 H 1 1.283 0.030 . 1 . . . . . 115 THR HG2 . 10278 1 1359 . 1 1 115 115 THR HG23 H 1 1.283 0.030 . 1 . . . . . 115 THR HG2 . 10278 1 1360 . 1 1 115 115 THR C C 13 172.337 0.300 . 1 . . . . . 115 THR C . 10278 1 1361 . 1 1 115 115 THR CA C 13 60.817 0.300 . 1 . . . . . 115 THR CA . 10278 1 1362 . 1 1 115 115 THR CB C 13 70.016 0.300 . 1 . . . . . 115 THR CB . 10278 1 1363 . 1 1 115 115 THR CG2 C 13 21.155 0.300 . 1 . . . . . 115 THR CG2 . 10278 1 1364 . 1 1 115 115 THR N N 15 118.885 0.300 . 1 . . . . . 115 THR N . 10278 1 1365 . 1 1 116 116 PRO HA H 1 4.404 0.030 . 1 . . . . . 116 PRO HA . 10278 1 1366 . 1 1 116 116 PRO HB2 H 1 2.275 0.030 . 2 . . . . . 116 PRO HB2 . 10278 1 1367 . 1 1 116 116 PRO HB3 H 1 1.894 0.030 . 2 . . . . . 116 PRO HB3 . 10278 1 1368 . 1 1 116 116 PRO HD2 H 1 3.745 0.030 . 2 . . . . . 116 PRO HD2 . 10278 1 1369 . 1 1 116 116 PRO HD3 H 1 3.985 0.030 . 2 . . . . . 116 PRO HD3 . 10278 1 1370 . 1 1 116 116 PRO HG2 H 1 2.035 0.030 . 2 . . . . . 116 PRO HG2 . 10278 1 1371 . 1 1 116 116 PRO HG3 H 1 1.984 0.030 . 2 . . . . . 116 PRO HG3 . 10278 1 1372 . 1 1 116 116 PRO CA C 13 63.007 0.300 . 1 . . . . . 116 PRO CA . 10278 1 1373 . 1 1 116 116 PRO CB C 13 32.346 0.300 . 1 . . . . . 116 PRO CB . 10278 1 1374 . 1 1 116 116 PRO CD C 13 51.246 0.300 . 1 . . . . . 116 PRO CD . 10278 1 1375 . 1 1 116 116 PRO CG C 13 27.493 0.300 . 1 . . . . . 116 PRO CG . 10278 1 1376 . 1 1 117 117 ALA H H 1 8.429 0.030 . 1 . . . . . 117 ALA H . 10278 1 1377 . 1 1 117 117 ALA HA H 1 4.535 0.030 . 1 . . . . . 117 ALA HA . 10278 1 1378 . 1 1 117 117 ALA HB1 H 1 1.335 0.030 . 1 . . . . . 117 ALA HB . 10278 1 1379 . 1 1 117 117 ALA HB2 H 1 1.335 0.030 . 1 . . . . . 117 ALA HB . 10278 1 1380 . 1 1 117 117 ALA HB3 H 1 1.335 0.030 . 1 . . . . . 117 ALA HB . 10278 1 1381 . 1 1 117 117 ALA CA C 13 50.359 0.300 . 1 . . . . . 117 ALA CA . 10278 1 1382 . 1 1 117 117 ALA CB C 13 18.069 0.300 . 1 . . . . . 117 ALA CB . 10278 1 1383 . 1 1 117 117 ALA N N 15 125.693 0.300 . 1 . . . . . 117 ALA N . 10278 1 1384 . 1 1 118 118 PRO HA H 1 4.377 0.030 . 1 . . . . . 118 PRO HA . 10278 1 1385 . 1 1 118 118 PRO HB2 H 1 2.268 0.030 . 2 . . . . . 118 PRO HB2 . 10278 1 1386 . 1 1 118 118 PRO HB3 H 1 1.935 0.030 . 2 . . . . . 118 PRO HB3 . 10278 1 1387 . 1 1 118 118 PRO HD2 H 1 3.765 0.030 . 2 . . . . . 118 PRO HD2 . 10278 1 1388 . 1 1 118 118 PRO HD3 H 1 3.627 0.030 . 2 . . . . . 118 PRO HD3 . 10278 1 1389 . 1 1 118 118 PRO HG2 H 1 2.016 0.030 . 2 . . . . . 118 PRO HG2 . 10278 1 1390 . 1 1 118 118 PRO HG3 H 1 1.985 0.030 . 2 . . . . . 118 PRO HG3 . 10278 1 1391 . 1 1 118 118 PRO C C 13 176.656 0.300 . 1 . . . . . 118 PRO C . 10278 1 1392 . 1 1 118 118 PRO CA C 13 63.105 0.300 . 1 . . . . . 118 PRO CA . 10278 1 1393 . 1 1 118 118 PRO CB C 13 31.935 0.300 . 1 . . . . . 118 PRO CB . 10278 1 1394 . 1 1 118 118 PRO CD C 13 50.468 0.300 . 1 . . . . . 118 PRO CD . 10278 1 1395 . 1 1 118 118 PRO CG C 13 27.379 0.300 . 1 . . . . . 118 PRO CG . 10278 1 1396 . 1 1 119 119 ALA H H 1 8.430 0.030 . 1 . . . . . 119 ALA H . 10278 1 1397 . 1 1 119 119 ALA HA H 1 4.255 0.030 . 1 . . . . . 119 ALA HA . 10278 1 1398 . 1 1 119 119 ALA HB1 H 1 1.364 0.030 . 1 . . . . . 119 ALA HB . 10278 1 1399 . 1 1 119 119 ALA HB2 H 1 1.364 0.030 . 1 . . . . . 119 ALA HB . 10278 1 1400 . 1 1 119 119 ALA HB3 H 1 1.364 0.030 . 1 . . . . . 119 ALA HB . 10278 1 1401 . 1 1 119 119 ALA C C 13 178.416 0.300 . 1 . . . . . 119 ALA C . 10278 1 1402 . 1 1 119 119 ALA CA C 13 52.744 0.300 . 1 . . . . . 119 ALA CA . 10278 1 1403 . 1 1 119 119 ALA CB C 13 19.186 0.300 . 1 . . . . . 119 ALA CB . 10278 1 1404 . 1 1 119 119 ALA N N 15 124.565 0.300 . 1 . . . . . 119 ALA N . 10278 1 1405 . 1 1 120 120 GLY H H 1 8.375 0.030 . 1 . . . . . 120 GLY H . 10278 1 1406 . 1 1 120 120 GLY HA2 H 1 3.934 0.030 . 1 . . . . . 120 GLY HA2 . 10278 1 1407 . 1 1 120 120 GLY HA3 H 1 3.934 0.030 . 1 . . . . . 120 GLY HA3 . 10278 1 1408 . 1 1 120 120 GLY C C 13 173.810 0.300 . 1 . . . . . 120 GLY C . 10278 1 1409 . 1 1 120 120 GLY CA C 13 45.176 0.300 . 1 . . . . . 120 GLY CA . 10278 1 1410 . 1 1 120 120 GLY N N 15 108.353 0.300 . 1 . . . . . 120 GLY N . 10278 1 1411 . 1 1 121 121 ALA H H 1 8.116 0.030 . 1 . . . . . 121 ALA H . 10278 1 1412 . 1 1 121 121 ALA HA H 1 4.379 0.030 . 1 . . . . . 121 ALA HA . 10278 1 1413 . 1 1 121 121 ALA HB1 H 1 1.350 0.030 . 1 . . . . . 121 ALA HB . 10278 1 1414 . 1 1 121 121 ALA HB2 H 1 1.350 0.030 . 1 . . . . . 121 ALA HB . 10278 1 1415 . 1 1 121 121 ALA HB3 H 1 1.350 0.030 . 1 . . . . . 121 ALA HB . 10278 1 1416 . 1 1 121 121 ALA C C 13 177.908 0.300 . 1 . . . . . 121 ALA C . 10278 1 1417 . 1 1 121 121 ALA CA C 13 52.446 0.300 . 1 . . . . . 121 ALA CA . 10278 1 1418 . 1 1 121 121 ALA CB C 13 19.433 0.300 . 1 . . . . . 121 ALA CB . 10278 1 1419 . 1 1 121 121 ALA N N 15 123.561 0.300 . 1 . . . . . 121 ALA N . 10278 1 1420 . 1 1 122 122 THR H H 1 8.212 0.030 . 1 . . . . . 122 THR H . 10278 1 1421 . 1 1 122 122 THR C C 13 174.317 0.300 . 1 . . . . . 122 THR C . 10278 1 1422 . 1 1 122 122 THR CA C 13 61.888 0.300 . 1 . . . . . 122 THR CA . 10278 1 1423 . 1 1 122 122 THR CB C 13 69.648 0.300 . 1 . . . . . 122 THR CB . 10278 1 1424 . 1 1 122 122 THR CG2 C 13 21.653 0.300 . 1 . . . . . 122 THR CG2 . 10278 1 1425 . 1 1 122 122 THR N N 15 114.319 0.300 . 1 . . . . . 122 THR N . 10278 1 1426 . 1 1 123 123 VAL H H 1 8.222 0.030 . 1 . . . . . 123 VAL H . 10278 1 1427 . 1 1 123 123 VAL HA H 1 4.455 0.030 . 1 . . . . . 123 VAL HA . 10278 1 1428 . 1 1 123 123 VAL HB H 1 2.086 0.030 . 1 . . . . . 123 VAL HB . 10278 1 1429 . 1 1 123 123 VAL HG11 H 1 0.930 0.030 . 1 . . . . . 123 VAL HG1 . 10278 1 1430 . 1 1 123 123 VAL HG12 H 1 0.930 0.030 . 1 . . . . . 123 VAL HG1 . 10278 1 1431 . 1 1 123 123 VAL HG13 H 1 0.930 0.030 . 1 . . . . . 123 VAL HG1 . 10278 1 1432 . 1 1 123 123 VAL HG21 H 1 0.972 0.030 . 1 . . . . . 123 VAL HG2 . 10278 1 1433 . 1 1 123 123 VAL HG22 H 1 0.972 0.030 . 1 . . . . . 123 VAL HG2 . 10278 1 1434 . 1 1 123 123 VAL HG23 H 1 0.972 0.030 . 1 . . . . . 123 VAL HG2 . 10278 1 1435 . 1 1 123 123 VAL C C 13 174.373 0.300 . 1 . . . . . 123 VAL C . 10278 1 1436 . 1 1 123 123 VAL CA C 13 59.717 0.300 . 1 . . . . . 123 VAL CA . 10278 1 1437 . 1 1 123 123 VAL CB C 13 32.593 0.300 . 1 . . . . . 123 VAL CB . 10278 1 1438 . 1 1 123 123 VAL CG1 C 13 20.175 0.300 . 2 . . . . . 123 VAL CG1 . 10278 1 1439 . 1 1 123 123 VAL CG2 C 13 20.988 0.300 . 2 . . . . . 123 VAL CG2 . 10278 1 1440 . 1 1 123 123 VAL N N 15 124.311 0.300 . 1 . . . . . 123 VAL N . 10278 1 1441 . 1 1 124 124 PRO HA H 1 4.403 0.030 . 1 . . . . . 124 PRO HA . 10278 1 1442 . 1 1 124 124 PRO HB2 H 1 2.265 0.030 . 2 . . . . . 124 PRO HB2 . 10278 1 1443 . 1 1 124 124 PRO HB3 H 1 1.917 0.030 . 2 . . . . . 124 PRO HB3 . 10278 1 1444 . 1 1 124 124 PRO HD2 H 1 3.695 0.030 . 2 . . . . . 124 PRO HD2 . 10278 1 1445 . 1 1 124 124 PRO HD3 H 1 3.875 0.030 . 2 . . . . . 124 PRO HD3 . 10278 1 1446 . 1 1 124 124 PRO C C 13 176.873 0.300 . 1 . . . . . 124 PRO C . 10278 1 1447 . 1 1 124 124 PRO CA C 13 63.211 0.300 . 1 . . . . . 124 PRO CA . 10278 1 1448 . 1 1 124 124 PRO CB C 13 32.017 0.300 . 1 . . . . . 124 PRO CB . 10278 1 1449 . 1 1 124 124 PRO CD C 13 51.099 0.300 . 1 . . . . . 124 PRO CD . 10278 1 1450 . 1 1 124 124 PRO CG C 13 27.329 0.300 . 1 . . . . . 124 PRO CG . 10278 1 1451 . 1 1 125 125 SER H H 1 8.426 0.030 . 1 . . . . . 125 SER H . 10278 1 1452 . 1 1 125 125 SER HA H 1 4.448 0.030 . 1 . . . . . 125 SER HA . 10278 1 1453 . 1 1 125 125 SER HB2 H 1 3.854 0.030 . 1 . . . . . 125 SER HB2 . 10278 1 1454 . 1 1 125 125 SER HB3 H 1 3.854 0.030 . 1 . . . . . 125 SER HB3 . 10278 1 1455 . 1 1 125 125 SER C C 13 174.598 0.300 . 1 . . . . . 125 SER C . 10278 1 1456 . 1 1 125 125 SER CA C 13 58.341 0.300 . 1 . . . . . 125 SER CA . 10278 1 1457 . 1 1 125 125 SER CB C 13 64.054 0.300 . 1 . . . . . 125 SER CB . 10278 1 1458 . 1 1 125 125 SER N N 15 116.463 0.300 . 1 . . . . . 125 SER N . 10278 1 1459 . 1 1 126 126 GLY H H 1 8.233 0.030 . 1 . . . . . 126 GLY H . 10278 1 1460 . 1 1 126 126 GLY C C 13 171.756 0.300 . 1 . . . . . 126 GLY C . 10278 1 1461 . 1 1 126 126 GLY CA C 13 44.611 0.300 . 1 . . . . . 126 GLY CA . 10278 1 1462 . 1 1 126 126 GLY N N 15 110.662 0.300 . 1 . . . . . 126 GLY N . 10278 1 stop_ save_