data_10326 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10326 _Entry.Title ; Solution structure of the 18th Filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-02 _Entry.Accession_date 2009-04-02 _Entry.Last_release_date 2010-04-07 _Entry.Original_release_date 2010-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10326 2 S. Koshiba . . . 10326 3 S. Watanabe . . . 10326 4 T. Harada . . . 10326 5 T. Kigawa . . . 10326 6 S. Yokoyama . . . 10326 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' 10326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 10326 '15N chemical shifts' 104 10326 '1H chemical shifts' 734 10326 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 . . 2010-04-07 2009-04-02 original author . 10326 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMC 'BMRB Entry Tracking System' 10326 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10326 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 18th Filamin domain from human Filamin-B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10326 1 2 S. Koshiba . . . 10326 1 3 S. Watanabe . . . 10326 1 4 T. Harada . . . 10326 1 5 T. Kigawa . . . 10326 1 6 S. Yokoyama . . . 10326 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10326 _Assembly.ID 1 _Assembly.Name Filamin-B _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 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10326 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2DMC . . . . . . 10326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10326 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin 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 ; GSSGSSGIPGSPFTAKITDD SRRCSQVKLGSAADFLLDIS ETDLSSLTASIKAPSGRDEP CLLKRLPNNHIGISFIPREV GEHLVSIKKNGNHVANSPVS IMVVQSEIGDSGPSSG ; _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 116 _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DMC . "Solution Structure Of The 18th Filamin Domain From Human Filamin-B" . . . . . 100.00 116 100.00 100.00 5.94e-75 . . . . 10326 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10326 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 . 10326 1 2 . SER . 10326 1 3 . SER . 10326 1 4 . GLY . 10326 1 5 . SER . 10326 1 6 . SER . 10326 1 7 . GLY . 10326 1 8 . ILE . 10326 1 9 . PRO . 10326 1 10 . GLY . 10326 1 11 . SER . 10326 1 12 . PRO . 10326 1 13 . PHE . 10326 1 14 . THR . 10326 1 15 . ALA . 10326 1 16 . LYS . 10326 1 17 . ILE . 10326 1 18 . THR . 10326 1 19 . ASP . 10326 1 20 . ASP . 10326 1 21 . SER . 10326 1 22 . ARG . 10326 1 23 . ARG . 10326 1 24 . CYS . 10326 1 25 . SER . 10326 1 26 . GLN . 10326 1 27 . VAL . 10326 1 28 . LYS . 10326 1 29 . LEU . 10326 1 30 . GLY . 10326 1 31 . SER . 10326 1 32 . ALA . 10326 1 33 . ALA . 10326 1 34 . ASP . 10326 1 35 . PHE . 10326 1 36 . LEU . 10326 1 37 . LEU . 10326 1 38 . ASP . 10326 1 39 . ILE . 10326 1 40 . SER . 10326 1 41 . GLU . 10326 1 42 . THR . 10326 1 43 . ASP . 10326 1 44 . LEU . 10326 1 45 . SER . 10326 1 46 . SER . 10326 1 47 . LEU . 10326 1 48 . THR . 10326 1 49 . ALA . 10326 1 50 . SER . 10326 1 51 . ILE . 10326 1 52 . LYS . 10326 1 53 . ALA . 10326 1 54 . PRO . 10326 1 55 . SER . 10326 1 56 . GLY . 10326 1 57 . ARG . 10326 1 58 . ASP . 10326 1 59 . GLU . 10326 1 60 . PRO . 10326 1 61 . CYS . 10326 1 62 . LEU . 10326 1 63 . LEU . 10326 1 64 . LYS . 10326 1 65 . ARG . 10326 1 66 . LEU . 10326 1 67 . PRO . 10326 1 68 . ASN . 10326 1 69 . ASN . 10326 1 70 . HIS . 10326 1 71 . ILE . 10326 1 72 . GLY . 10326 1 73 . ILE . 10326 1 74 . SER . 10326 1 75 . PHE . 10326 1 76 . ILE . 10326 1 77 . PRO . 10326 1 78 . ARG . 10326 1 79 . GLU . 10326 1 80 . VAL . 10326 1 81 . GLY . 10326 1 82 . GLU . 10326 1 83 . HIS . 10326 1 84 . LEU . 10326 1 85 . VAL . 10326 1 86 . SER . 10326 1 87 . ILE . 10326 1 88 . LYS . 10326 1 89 . LYS . 10326 1 90 . ASN . 10326 1 91 . GLY . 10326 1 92 . ASN . 10326 1 93 . HIS . 10326 1 94 . VAL . 10326 1 95 . ALA . 10326 1 96 . ASN . 10326 1 97 . SER . 10326 1 98 . PRO . 10326 1 99 . VAL . 10326 1 100 . SER . 10326 1 101 . ILE . 10326 1 102 . MET . 10326 1 103 . VAL . 10326 1 104 . VAL . 10326 1 105 . GLN . 10326 1 106 . SER . 10326 1 107 . GLU . 10326 1 108 . ILE . 10326 1 109 . GLY . 10326 1 110 . ASP . 10326 1 111 . SER . 10326 1 112 . GLY . 10326 1 113 . PRO . 10326 1 114 . SER . 10326 1 115 . SER . 10326 1 116 . GLY . 10326 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 10326 1 . SER 2 2 10326 1 . SER 3 3 10326 1 . GLY 4 4 10326 1 . SER 5 5 10326 1 . SER 6 6 10326 1 . GLY 7 7 10326 1 . ILE 8 8 10326 1 . PRO 9 9 10326 1 . GLY 10 10 10326 1 . SER 11 11 10326 1 . PRO 12 12 10326 1 . PHE 13 13 10326 1 . THR 14 14 10326 1 . ALA 15 15 10326 1 . LYS 16 16 10326 1 . ILE 17 17 10326 1 . THR 18 18 10326 1 . ASP 19 19 10326 1 . ASP 20 20 10326 1 . SER 21 21 10326 1 . ARG 22 22 10326 1 . ARG 23 23 10326 1 . CYS 24 24 10326 1 . SER 25 25 10326 1 . GLN 26 26 10326 1 . VAL 27 27 10326 1 . LYS 28 28 10326 1 . LEU 29 29 10326 1 . GLY 30 30 10326 1 . SER 31 31 10326 1 . ALA 32 32 10326 1 . ALA 33 33 10326 1 . ASP 34 34 10326 1 . PHE 35 35 10326 1 . LEU 36 36 10326 1 . LEU 37 37 10326 1 . ASP 38 38 10326 1 . ILE 39 39 10326 1 . SER 40 40 10326 1 . GLU 41 41 10326 1 . THR 42 42 10326 1 . ASP 43 43 10326 1 . LEU 44 44 10326 1 . SER 45 45 10326 1 . SER 46 46 10326 1 . LEU 47 47 10326 1 . THR 48 48 10326 1 . ALA 49 49 10326 1 . SER 50 50 10326 1 . ILE 51 51 10326 1 . LYS 52 52 10326 1 . ALA 53 53 10326 1 . PRO 54 54 10326 1 . SER 55 55 10326 1 . GLY 56 56 10326 1 . ARG 57 57 10326 1 . ASP 58 58 10326 1 . GLU 59 59 10326 1 . PRO 60 60 10326 1 . CYS 61 61 10326 1 . LEU 62 62 10326 1 . LEU 63 63 10326 1 . LYS 64 64 10326 1 . ARG 65 65 10326 1 . LEU 66 66 10326 1 . PRO 67 67 10326 1 . ASN 68 68 10326 1 . ASN 69 69 10326 1 . HIS 70 70 10326 1 . ILE 71 71 10326 1 . GLY 72 72 10326 1 . ILE 73 73 10326 1 . SER 74 74 10326 1 . PHE 75 75 10326 1 . ILE 76 76 10326 1 . PRO 77 77 10326 1 . ARG 78 78 10326 1 . GLU 79 79 10326 1 . VAL 80 80 10326 1 . GLY 81 81 10326 1 . GLU 82 82 10326 1 . HIS 83 83 10326 1 . LEU 84 84 10326 1 . VAL 85 85 10326 1 . SER 86 86 10326 1 . ILE 87 87 10326 1 . LYS 88 88 10326 1 . LYS 89 89 10326 1 . ASN 90 90 10326 1 . GLY 91 91 10326 1 . ASN 92 92 10326 1 . HIS 93 93 10326 1 . VAL 94 94 10326 1 . ALA 95 95 10326 1 . ASN 96 96 10326 1 . SER 97 97 10326 1 . PRO 98 98 10326 1 . VAL 99 99 10326 1 . SER 100 100 10326 1 . ILE 101 101 10326 1 . MET 102 102 10326 1 . VAL 103 103 10326 1 . VAL 104 104 10326 1 . GLN 105 105 10326 1 . SER 106 106 10326 1 . GLU 107 107 10326 1 . ILE 108 108 10326 1 . GLY 109 109 10326 1 . ASP 110 110 10326 1 . SER 111 111 10326 1 . GLY 112 112 10326 1 . PRO 113 113 10326 1 . SER 114 114 10326 1 . SER 115 115 10326 1 . GLY 116 116 10326 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 10326 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10326 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 10326 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P051205-16 . . . . . . 10326 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10326 _Sample.ID 1 _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 'Filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 10326 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10326 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10326 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10326 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10326 1 6 H2O . . . . . . solvent 90 . . % . . . . 10326 1 7 D2O . . . . . . solvent 10 . . % . . . . 10326 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 10326 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10326 1 pH 7.0 0.05 pH 10326 1 pressure 1 0.001 atm 10326 1 temperature 296 0.1 K 10326 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10326 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10326 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10326 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10326 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060324 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10326 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10326 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10326 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10326 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10326 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10326 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10326 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10326 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10326 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10326 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10326 5 'structure solution' 10326 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 10326 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10326 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'AVANCE II' . 900 . . . 10326 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 10326 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10326 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10326 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 10326 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10326 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10326 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10326 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 10326 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10326 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10326 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.946 0.030 . 1 . . . . 7 GLY HA2 . 10326 1 2 . 1 1 7 7 GLY HA3 H 1 3.946 0.030 . 1 . . . . 7 GLY HA3 . 10326 1 3 . 1 1 7 7 GLY C C 13 173.665 0.300 . 1 . . . . 7 GLY C . 10326 1 4 . 1 1 7 7 GLY CA C 13 45.143 0.300 . 1 . . . . 7 GLY CA . 10326 1 5 . 1 1 8 8 ILE H H 1 8.048 0.030 . 1 . . . . 8 ILE H . 10326 1 6 . 1 1 8 8 ILE HA H 1 4.473 0.030 . 1 . . . . 8 ILE HA . 10326 1 7 . 1 1 8 8 ILE HB H 1 1.855 0.030 . 1 . . . . 8 ILE HB . 10326 1 8 . 1 1 8 8 ILE HD11 H 1 0.852 0.030 . 1 . . . . 8 ILE HD1 . 10326 1 9 . 1 1 8 8 ILE HD12 H 1 0.852 0.030 . 1 . . . . 8 ILE HD1 . 10326 1 10 . 1 1 8 8 ILE HD13 H 1 0.852 0.030 . 1 . . . . 8 ILE HD1 . 10326 1 11 . 1 1 8 8 ILE HG12 H 1 1.157 0.030 . 2 . . . . 8 ILE HG12 . 10326 1 12 . 1 1 8 8 ILE HG13 H 1 1.480 0.030 . 2 . . . . 8 ILE HG13 . 10326 1 13 . 1 1 8 8 ILE HG21 H 1 0.941 0.030 . 1 . . . . 8 ILE HG2 . 10326 1 14 . 1 1 8 8 ILE HG22 H 1 0.941 0.030 . 1 . . . . 8 ILE HG2 . 10326 1 15 . 1 1 8 8 ILE HG23 H 1 0.941 0.030 . 1 . . . . 8 ILE HG2 . 10326 1 16 . 1 1 8 8 ILE C C 13 174.811 0.300 . 1 . . . . 8 ILE C . 10326 1 17 . 1 1 8 8 ILE CA C 13 58.703 0.300 . 1 . . . . 8 ILE CA . 10326 1 18 . 1 1 8 8 ILE CB C 13 38.647 0.300 . 1 . . . . 8 ILE CB . 10326 1 19 . 1 1 8 8 ILE CD1 C 13 12.904 0.300 . 1 . . . . 8 ILE CD1 . 10326 1 20 . 1 1 8 8 ILE CG1 C 13 27.025 0.300 . 1 . . . . 8 ILE CG1 . 10326 1 21 . 1 1 8 8 ILE CG2 C 13 17.086 0.300 . 1 . . . . 8 ILE CG2 . 10326 1 22 . 1 1 8 8 ILE N N 15 121.808 0.300 . 1 . . . . 8 ILE N . 10326 1 23 . 1 1 9 9 PRO HA H 1 4.398 0.030 . 1 . . . . 9 PRO HA . 10326 1 24 . 1 1 9 9 PRO HB2 H 1 1.930 0.030 . 2 . . . . 9 PRO HB2 . 10326 1 25 . 1 1 9 9 PRO HB3 H 1 2.300 0.030 . 2 . . . . 9 PRO HB3 . 10326 1 26 . 1 1 9 9 PRO HD2 H 1 3.693 0.030 . 2 . . . . 9 PRO HD2 . 10326 1 27 . 1 1 9 9 PRO HD3 H 1 3.930 0.030 . 2 . . . . 9 PRO HD3 . 10326 1 28 . 1 1 9 9 PRO HG2 H 1 2.067 0.030 . 2 . . . . 9 PRO HG2 . 10326 1 29 . 1 1 9 9 PRO HG3 H 1 1.981 0.030 . 2 . . . . 9 PRO HG3 . 10326 1 30 . 1 1 9 9 PRO C C 13 177.445 0.300 . 1 . . . . 9 PRO C . 10326 1 31 . 1 1 9 9 PRO CA C 13 63.624 0.300 . 1 . . . . 9 PRO CA . 10326 1 32 . 1 1 9 9 PRO CB C 13 32.061 0.300 . 1 . . . . 9 PRO CB . 10326 1 33 . 1 1 9 9 PRO CD C 13 51.135 0.300 . 1 . . . . 9 PRO CD . 10326 1 34 . 1 1 9 9 PRO CG C 13 27.464 0.300 . 1 . . . . 9 PRO CG . 10326 1 35 . 1 1 10 10 GLY H H 1 8.511 0.030 . 1 . . . . 10 GLY H . 10326 1 36 . 1 1 10 10 GLY HA2 H 1 3.955 0.030 . 1 . . . . 10 GLY HA2 . 10326 1 37 . 1 1 10 10 GLY HA3 H 1 3.955 0.030 . 1 . . . . 10 GLY HA3 . 10326 1 38 . 1 1 10 10 GLY C C 13 173.899 0.300 . 1 . . . . 10 GLY C . 10326 1 39 . 1 1 10 10 GLY CA C 13 45.119 0.300 . 1 . . . . 10 GLY CA . 10326 1 40 . 1 1 10 10 GLY N N 15 109.753 0.300 . 1 . . . . 10 GLY N . 10326 1 41 . 1 1 12 12 PRO HA H 1 4.422 0.030 . 1 . . . . 12 PRO HA . 10326 1 42 . 1 1 12 12 PRO HB2 H 1 1.701 0.030 . 2 . . . . 12 PRO HB2 . 10326 1 43 . 1 1 12 12 PRO HB3 H 1 2.178 0.030 . 2 . . . . 12 PRO HB3 . 10326 1 44 . 1 1 12 12 PRO HD2 H 1 3.647 0.030 . 2 . . . . 12 PRO HD2 . 10326 1 45 . 1 1 12 12 PRO HD3 H 1 3.769 0.030 . 2 . . . . 12 PRO HD3 . 10326 1 46 . 1 1 12 12 PRO HG2 H 1 1.914 0.030 . 2 . . . . 12 PRO HG2 . 10326 1 47 . 1 1 12 12 PRO HG3 H 1 1.758 0.030 . 2 . . . . 12 PRO HG3 . 10326 1 48 . 1 1 12 12 PRO C C 13 176.632 0.300 . 1 . . . . 12 PRO C . 10326 1 49 . 1 1 12 12 PRO CA C 13 63.421 0.300 . 1 . . . . 12 PRO CA . 10326 1 50 . 1 1 12 12 PRO CB C 13 31.934 0.300 . 1 . . . . 12 PRO CB . 10326 1 51 . 1 1 12 12 PRO CD C 13 50.712 0.300 . 1 . . . . 12 PRO CD . 10326 1 52 . 1 1 12 12 PRO CG C 13 27.084 0.300 . 1 . . . . 12 PRO CG . 10326 1 53 . 1 1 13 13 PHE H H 1 8.168 0.030 . 1 . . . . 13 PHE H . 10326 1 54 . 1 1 13 13 PHE HA H 1 4.658 0.030 . 1 . . . . 13 PHE HA . 10326 1 55 . 1 1 13 13 PHE HB2 H 1 3.160 0.030 . 2 . . . . 13 PHE HB2 . 10326 1 56 . 1 1 13 13 PHE HB3 H 1 3.021 0.030 . 2 . . . . 13 PHE HB3 . 10326 1 57 . 1 1 13 13 PHE HD1 H 1 7.233 0.030 . 1 . . . . 13 PHE HD1 . 10326 1 58 . 1 1 13 13 PHE HD2 H 1 7.233 0.030 . 1 . . . . 13 PHE HD2 . 10326 1 59 . 1 1 13 13 PHE HE1 H 1 7.332 0.030 . 1 . . . . 13 PHE HE1 . 10326 1 60 . 1 1 13 13 PHE HE2 H 1 7.332 0.030 . 1 . . . . 13 PHE HE2 . 10326 1 61 . 1 1 13 13 PHE HZ H 1 7.279 0.030 . 1 . . . . 13 PHE HZ . 10326 1 62 . 1 1 13 13 PHE C C 13 175.768 0.300 . 1 . . . . 13 PHE C . 10326 1 63 . 1 1 13 13 PHE CA C 13 57.745 0.300 . 1 . . . . 13 PHE CA . 10326 1 64 . 1 1 13 13 PHE CB C 13 39.419 0.300 . 1 . . . . 13 PHE CB . 10326 1 65 . 1 1 13 13 PHE CD1 C 13 131.732 0.300 . 1 . . . . 13 PHE CD1 . 10326 1 66 . 1 1 13 13 PHE CD2 C 13 131.732 0.300 . 1 . . . . 13 PHE CD2 . 10326 1 67 . 1 1 13 13 PHE CE1 C 13 131.552 0.300 . 1 . . . . 13 PHE CE1 . 10326 1 68 . 1 1 13 13 PHE CE2 C 13 131.552 0.300 . 1 . . . . 13 PHE CE2 . 10326 1 69 . 1 1 13 13 PHE CZ C 13 129.861 0.300 . 1 . . . . 13 PHE CZ . 10326 1 70 . 1 1 13 13 PHE N N 15 119.618 0.300 . 1 . . . . 13 PHE N . 10326 1 71 . 1 1 14 14 THR H H 1 7.926 0.030 . 1 . . . . 14 THR H . 10326 1 72 . 1 1 14 14 THR HA H 1 4.280 0.030 . 1 . . . . 14 THR HA . 10326 1 73 . 1 1 14 14 THR HB H 1 4.126 0.030 . 1 . . . . 14 THR HB . 10326 1 74 . 1 1 14 14 THR HG21 H 1 1.165 0.030 . 1 . . . . 14 THR HG2 . 10326 1 75 . 1 1 14 14 THR HG22 H 1 1.165 0.030 . 1 . . . . 14 THR HG2 . 10326 1 76 . 1 1 14 14 THR HG23 H 1 1.165 0.030 . 1 . . . . 14 THR HG2 . 10326 1 77 . 1 1 14 14 THR C C 13 173.682 0.300 . 1 . . . . 14 THR C . 10326 1 78 . 1 1 14 14 THR CA C 13 61.606 0.300 . 1 . . . . 14 THR CA . 10326 1 79 . 1 1 14 14 THR CB C 13 69.996 0.300 . 1 . . . . 14 THR CB . 10326 1 80 . 1 1 14 14 THR CG2 C 13 21.576 0.300 . 1 . . . . 14 THR CG2 . 10326 1 81 . 1 1 14 14 THR N N 15 116.175 0.300 . 1 . . . . 14 THR N . 10326 1 82 . 1 1 15 15 ALA H H 1 8.202 0.030 . 1 . . . . 15 ALA H . 10326 1 83 . 1 1 15 15 ALA HA H 1 4.288 0.030 . 1 . . . . 15 ALA HA . 10326 1 84 . 1 1 15 15 ALA HB1 H 1 1.377 0.030 . 1 . . . . 15 ALA HB . 10326 1 85 . 1 1 15 15 ALA HB2 H 1 1.377 0.030 . 1 . . . . 15 ALA HB . 10326 1 86 . 1 1 15 15 ALA HB3 H 1 1.377 0.030 . 1 . . . . 15 ALA HB . 10326 1 87 . 1 1 15 15 ALA C C 13 177.266 0.300 . 1 . . . . 15 ALA C . 10326 1 88 . 1 1 15 15 ALA CA C 13 52.379 0.300 . 1 . . . . 15 ALA CA . 10326 1 89 . 1 1 15 15 ALA CB C 13 19.441 0.300 . 1 . . . . 15 ALA CB . 10326 1 90 . 1 1 15 15 ALA N N 15 126.852 0.300 . 1 . . . . 15 ALA N . 10326 1 91 . 1 1 16 16 LYS H H 1 8.303 0.030 . 1 . . . . 16 LYS H . 10326 1 92 . 1 1 16 16 LYS HA H 1 4.349 0.030 . 1 . . . . 16 LYS HA . 10326 1 93 . 1 1 16 16 LYS HB2 H 1 1.731 0.030 . 2 . . . . 16 LYS HB2 . 10326 1 94 . 1 1 16 16 LYS HB3 H 1 1.799 0.030 . 2 . . . . 16 LYS HB3 . 10326 1 95 . 1 1 16 16 LYS HD2 H 1 1.657 0.030 . 1 . . . . 16 LYS HD2 . 10326 1 96 . 1 1 16 16 LYS HD3 H 1 1.657 0.030 . 1 . . . . 16 LYS HD3 . 10326 1 97 . 1 1 16 16 LYS HE2 H 1 2.968 0.030 . 1 . . . . 16 LYS HE2 . 10326 1 98 . 1 1 16 16 LYS HE3 H 1 2.968 0.030 . 1 . . . . 16 LYS HE3 . 10326 1 99 . 1 1 16 16 LYS HG2 H 1 1.377 0.030 . 2 . . . . 16 LYS HG2 . 10326 1 100 . 1 1 16 16 LYS HG3 H 1 1.438 0.030 . 2 . . . . 16 LYS HG3 . 10326 1 101 . 1 1 16 16 LYS C C 13 176.573 0.300 . 1 . . . . 16 LYS C . 10326 1 102 . 1 1 16 16 LYS CA C 13 56.153 0.300 . 1 . . . . 16 LYS CA . 10326 1 103 . 1 1 16 16 LYS CB C 13 33.194 0.300 . 1 . . . . 16 LYS CB . 10326 1 104 . 1 1 16 16 LYS CD C 13 29.177 0.300 . 1 . . . . 16 LYS CD . 10326 1 105 . 1 1 16 16 LYS CE C 13 42.133 0.300 . 1 . . . . 16 LYS CE . 10326 1 106 . 1 1 16 16 LYS CG C 13 24.791 0.300 . 1 . . . . 16 LYS CG . 10326 1 107 . 1 1 16 16 LYS N N 15 121.072 0.300 . 1 . . . . 16 LYS N . 10326 1 108 . 1 1 17 17 ILE H H 1 8.316 0.030 . 1 . . . . 17 ILE H . 10326 1 109 . 1 1 17 17 ILE HA H 1 4.223 0.030 . 1 . . . . 17 ILE HA . 10326 1 110 . 1 1 17 17 ILE HB H 1 1.865 0.030 . 1 . . . . 17 ILE HB . 10326 1 111 . 1 1 17 17 ILE HD11 H 1 0.839 0.030 . 1 . . . . 17 ILE HD1 . 10326 1 112 . 1 1 17 17 ILE HD12 H 1 0.839 0.030 . 1 . . . . 17 ILE HD1 . 10326 1 113 . 1 1 17 17 ILE HD13 H 1 0.839 0.030 . 1 . . . . 17 ILE HD1 . 10326 1 114 . 1 1 17 17 ILE HG12 H 1 1.465 0.030 . 2 . . . . 17 ILE HG12 . 10326 1 115 . 1 1 17 17 ILE HG13 H 1 1.191 0.030 . 2 . . . . 17 ILE HG13 . 10326 1 116 . 1 1 17 17 ILE HG21 H 1 0.906 0.030 . 1 . . . . 17 ILE HG2 . 10326 1 117 . 1 1 17 17 ILE HG22 H 1 0.906 0.030 . 1 . . . . 17 ILE HG2 . 10326 1 118 . 1 1 17 17 ILE HG23 H 1 0.906 0.030 . 1 . . . . 17 ILE HG2 . 10326 1 119 . 1 1 17 17 ILE C C 13 176.384 0.300 . 1 . . . . 17 ILE C . 10326 1 120 . 1 1 17 17 ILE CA C 13 61.298 0.300 . 1 . . . . 17 ILE CA . 10326 1 121 . 1 1 17 17 ILE CB C 13 38.666 0.300 . 1 . . . . 17 ILE CB . 10326 1 122 . 1 1 17 17 ILE CD1 C 13 12.967 0.300 . 1 . . . . 17 ILE CD1 . 10326 1 123 . 1 1 17 17 ILE CG1 C 13 27.356 0.300 . 1 . . . . 17 ILE CG1 . 10326 1 124 . 1 1 17 17 ILE CG2 C 13 17.586 0.300 . 1 . . . . 17 ILE CG2 . 10326 1 125 . 1 1 17 17 ILE N N 15 123.013 0.300 . 1 . . . . 17 ILE N . 10326 1 126 . 1 1 18 18 THR H H 1 8.180 0.030 . 1 . . . . 18 THR H . 10326 1 127 . 1 1 18 18 THR HA H 1 4.374 0.030 . 1 . . . . 18 THR HA . 10326 1 128 . 1 1 18 18 THR HB H 1 4.259 0.030 . 1 . . . . 18 THR HB . 10326 1 129 . 1 1 18 18 THR HG21 H 1 1.179 0.030 . 1 . . . . 18 THR HG2 . 10326 1 130 . 1 1 18 18 THR HG22 H 1 1.179 0.030 . 1 . . . . 18 THR HG2 . 10326 1 131 . 1 1 18 18 THR HG23 H 1 1.179 0.030 . 1 . . . . 18 THR HG2 . 10326 1 132 . 1 1 18 18 THR C C 13 174.214 0.300 . 1 . . . . 18 THR C . 10326 1 133 . 1 1 18 18 THR CA C 13 61.566 0.300 . 1 . . . . 18 THR CA . 10326 1 134 . 1 1 18 18 THR CB C 13 69.992 0.300 . 1 . . . . 18 THR CB . 10326 1 135 . 1 1 18 18 THR CG2 C 13 21.642 0.300 . 1 . . . . 18 THR CG2 . 10326 1 136 . 1 1 18 18 THR N N 15 117.569 0.300 . 1 . . . . 18 THR N . 10326 1 137 . 1 1 19 19 ASP H H 1 8.333 0.030 . 1 . . . . 19 ASP H . 10326 1 138 . 1 1 19 19 ASP HA H 1 4.612 0.030 . 1 . . . . 19 ASP HA . 10326 1 139 . 1 1 19 19 ASP HB2 H 1 2.685 0.030 . 1 . . . . 19 ASP HB2 . 10326 1 140 . 1 1 19 19 ASP HB3 H 1 2.685 0.030 . 1 . . . . 19 ASP HB3 . 10326 1 141 . 1 1 19 19 ASP C C 13 176.221 0.300 . 1 . . . . 19 ASP C . 10326 1 142 . 1 1 19 19 ASP CA C 13 54.502 0.300 . 1 . . . . 19 ASP CA . 10326 1 143 . 1 1 19 19 ASP CB C 13 41.155 0.300 . 1 . . . . 19 ASP CB . 10326 1 144 . 1 1 19 19 ASP N N 15 122.810 0.300 . 1 . . . . 19 ASP N . 10326 1 145 . 1 1 20 20 ASP H H 1 8.397 0.030 . 1 . . . . 20 ASP H . 10326 1 146 . 1 1 20 20 ASP HA H 1 4.612 0.030 . 1 . . . . 20 ASP HA . 10326 1 147 . 1 1 20 20 ASP HB2 H 1 2.673 0.030 . 2 . . . . 20 ASP HB2 . 10326 1 148 . 1 1 20 20 ASP HB3 H 1 2.724 0.030 . 2 . . . . 20 ASP HB3 . 10326 1 149 . 1 1 20 20 ASP C C 13 176.964 0.300 . 1 . . . . 20 ASP C . 10326 1 150 . 1 1 20 20 ASP CA C 13 54.752 0.300 . 1 . . . . 20 ASP CA . 10326 1 151 . 1 1 20 20 ASP CB C 13 41.187 0.300 . 1 . . . . 20 ASP CB . 10326 1 152 . 1 1 20 20 ASP N N 15 121.646 0.300 . 1 . . . . 20 ASP N . 10326 1 153 . 1 1 21 21 SER H H 1 8.371 0.030 . 1 . . . . 21 SER H . 10326 1 154 . 1 1 21 21 SER HA H 1 4.352 0.030 . 1 . . . . 21 SER HA . 10326 1 155 . 1 1 21 21 SER HB2 H 1 3.923 0.030 . 2 . . . . 21 SER HB2 . 10326 1 156 . 1 1 21 21 SER HB3 H 1 3.956 0.030 . 2 . . . . 21 SER HB3 . 10326 1 157 . 1 1 21 21 SER C C 13 175.060 0.300 . 1 . . . . 21 SER C . 10326 1 158 . 1 1 21 21 SER CA C 13 59.695 0.300 . 1 . . . . 21 SER CA . 10326 1 159 . 1 1 21 21 SER CB C 13 63.615 0.300 . 1 . . . . 21 SER CB . 10326 1 160 . 1 1 21 21 SER N N 15 116.686 0.300 . 1 . . . . 21 SER N . 10326 1 161 . 1 1 22 22 ARG H H 1 8.158 0.030 . 1 . . . . 22 ARG H . 10326 1 162 . 1 1 22 22 ARG HA H 1 4.352 0.030 . 1 . . . . 22 ARG HA . 10326 1 163 . 1 1 22 22 ARG HB2 H 1 1.822 0.030 . 2 . . . . 22 ARG HB2 . 10326 1 164 . 1 1 22 22 ARG HB3 H 1 1.922 0.030 . 2 . . . . 22 ARG HB3 . 10326 1 165 . 1 1 22 22 ARG HD2 H 1 3.215 0.030 . 1 . . . . 22 ARG HD2 . 10326 1 166 . 1 1 22 22 ARG HD3 H 1 3.215 0.030 . 1 . . . . 22 ARG HD3 . 10326 1 167 . 1 1 22 22 ARG HG2 H 1 1.633 0.030 . 2 . . . . 22 ARG HG2 . 10326 1 168 . 1 1 22 22 ARG HG3 H 1 1.680 0.030 . 2 . . . . 22 ARG HG3 . 10326 1 169 . 1 1 22 22 ARG C C 13 176.431 0.300 . 1 . . . . 22 ARG C . 10326 1 170 . 1 1 22 22 ARG CA C 13 56.468 0.300 . 1 . . . . 22 ARG CA . 10326 1 171 . 1 1 22 22 ARG CB C 13 30.548 0.300 . 1 . . . . 22 ARG CB . 10326 1 172 . 1 1 22 22 ARG CD C 13 43.396 0.300 . 1 . . . . 22 ARG CD . 10326 1 173 . 1 1 22 22 ARG CG C 13 27.267 0.300 . 1 . . . . 22 ARG CG . 10326 1 174 . 1 1 22 22 ARG N N 15 121.669 0.300 . 1 . . . . 22 ARG N . 10326 1 175 . 1 1 23 23 ARG H H 1 8.194 0.030 . 1 . . . . 23 ARG H . 10326 1 176 . 1 1 23 23 ARG HA H 1 4.348 0.030 . 1 . . . . 23 ARG HA . 10326 1 177 . 1 1 23 23 ARG HB2 H 1 1.824 0.030 . 2 . . . . 23 ARG HB2 . 10326 1 178 . 1 1 23 23 ARG HB3 H 1 1.920 0.030 . 2 . . . . 23 ARG HB3 . 10326 1 179 . 1 1 23 23 ARG HD2 H 1 3.209 0.030 . 2 . . . . 23 ARG HD2 . 10326 1 180 . 1 1 23 23 ARG HG2 H 1 1.664 0.030 . 2 . . . . 23 ARG HG2 . 10326 1 181 . 1 1 23 23 ARG HG3 H 1 1.627 0.030 . 2 . . . . 23 ARG HG3 . 10326 1 182 . 1 1 23 23 ARG C C 13 176.207 0.300 . 1 . . . . 23 ARG C . 10326 1 183 . 1 1 23 23 ARG CA C 13 56.397 0.300 . 1 . . . . 23 ARG CA . 10326 1 184 . 1 1 23 23 ARG CB C 13 30.749 0.300 . 1 . . . . 23 ARG CB . 10326 1 185 . 1 1 23 23 ARG CD C 13 43.369 0.300 . 1 . . . . 23 ARG CD . 10326 1 186 . 1 1 23 23 ARG CG C 13 27.223 0.300 . 1 . . . . 23 ARG CG . 10326 1 187 . 1 1 23 23 ARG N N 15 121.370 0.300 . 1 . . . . 23 ARG N . 10326 1 188 . 1 1 24 24 CYS H H 1 8.332 0.030 . 1 . . . . 24 CYS H . 10326 1 189 . 1 1 24 24 CYS HA H 1 4.705 0.030 . 1 . . . . 24 CYS HA . 10326 1 190 . 1 1 24 24 CYS HB2 H 1 2.918 0.030 . 1 . . . . 24 CYS HB2 . 10326 1 191 . 1 1 24 24 CYS HB3 H 1 2.918 0.030 . 1 . . . . 24 CYS HB3 . 10326 1 192 . 1 1 24 24 CYS C C 13 174.485 0.300 . 1 . . . . 24 CYS C . 10326 1 193 . 1 1 24 24 CYS CA C 13 58.331 0.300 . 1 . . . . 24 CYS CA . 10326 1 194 . 1 1 24 24 CYS CB C 13 28.612 0.300 . 1 . . . . 24 CYS CB . 10326 1 195 . 1 1 24 24 CYS N N 15 120.071 0.300 . 1 . . . . 24 CYS N . 10326 1 196 . 1 1 25 25 SER H H 1 8.564 0.030 . 1 . . . . 25 SER H . 10326 1 197 . 1 1 25 25 SER HA H 1 4.577 0.030 . 1 . . . . 25 SER HA . 10326 1 198 . 1 1 25 25 SER HB2 H 1 3.877 0.030 . 1 . . . . 25 SER HB2 . 10326 1 199 . 1 1 25 25 SER HB3 H 1 3.877 0.030 . 1 . . . . 25 SER HB3 . 10326 1 200 . 1 1 25 25 SER C C 13 173.377 0.300 . 1 . . . . 25 SER C . 10326 1 201 . 1 1 25 25 SER CA C 13 58.592 0.300 . 1 . . . . 25 SER CA . 10326 1 202 . 1 1 25 25 SER CB C 13 64.296 0.300 . 1 . . . . 25 SER CB . 10326 1 203 . 1 1 25 25 SER N N 15 119.092 0.300 . 1 . . . . 25 SER N . 10326 1 204 . 1 1 26 26 GLN H H 1 8.346 0.030 . 1 . . . . 26 GLN H . 10326 1 205 . 1 1 26 26 GLN HA H 1 4.903 0.030 . 1 . . . . 26 GLN HA . 10326 1 206 . 1 1 26 26 GLN HB2 H 1 1.953 0.030 . 1 . . . . 26 GLN HB2 . 10326 1 207 . 1 1 26 26 GLN HB3 H 1 1.953 0.030 . 1 . . . . 26 GLN HB3 . 10326 1 208 . 1 1 26 26 GLN HE21 H 1 6.879 0.030 . 2 . . . . 26 GLN HE21 . 10326 1 209 . 1 1 26 26 GLN HE22 H 1 7.483 0.030 . 2 . . . . 26 GLN HE22 . 10326 1 210 . 1 1 26 26 GLN HG2 H 1 2.217 0.030 . 2 . . . . 26 GLN HG2 . 10326 1 211 . 1 1 26 26 GLN HG3 H 1 2.320 0.030 . 2 . . . . 26 GLN HG3 . 10326 1 212 . 1 1 26 26 GLN C C 13 175.667 0.300 . 1 . . . . 26 GLN C . 10326 1 213 . 1 1 26 26 GLN CA C 13 55.228 0.300 . 1 . . . . 26 GLN CA . 10326 1 214 . 1 1 26 26 GLN CB C 13 30.306 0.300 . 1 . . . . 26 GLN CB . 10326 1 215 . 1 1 26 26 GLN CG C 13 34.081 0.300 . 1 . . . . 26 GLN CG . 10326 1 216 . 1 1 26 26 GLN N N 15 122.473 0.300 . 1 . . . . 26 GLN N . 10326 1 217 . 1 1 26 26 GLN NE2 N 15 111.904 0.300 . 1 . . . . 26 GLN NE2 . 10326 1 218 . 1 1 27 27 VAL H H 1 8.559 0.030 . 1 . . . . 27 VAL H . 10326 1 219 . 1 1 27 27 VAL HA H 1 4.370 0.030 . 1 . . . . 27 VAL HA . 10326 1 220 . 1 1 27 27 VAL HB H 1 2.084 0.030 . 1 . . . . 27 VAL HB . 10326 1 221 . 1 1 27 27 VAL HG11 H 1 0.798 0.030 . 1 . . . . 27 VAL HG1 . 10326 1 222 . 1 1 27 27 VAL HG12 H 1 0.798 0.030 . 1 . . . . 27 VAL HG1 . 10326 1 223 . 1 1 27 27 VAL HG13 H 1 0.798 0.030 . 1 . . . . 27 VAL HG1 . 10326 1 224 . 1 1 27 27 VAL HG21 H 1 0.779 0.030 . 1 . . . . 27 VAL HG2 . 10326 1 225 . 1 1 27 27 VAL HG22 H 1 0.779 0.030 . 1 . . . . 27 VAL HG2 . 10326 1 226 . 1 1 27 27 VAL HG23 H 1 0.779 0.030 . 1 . . . . 27 VAL HG2 . 10326 1 227 . 1 1 27 27 VAL C C 13 174.529 0.300 . 1 . . . . 27 VAL C . 10326 1 228 . 1 1 27 27 VAL CA C 13 60.598 0.300 . 1 . . . . 27 VAL CA . 10326 1 229 . 1 1 27 27 VAL CB C 13 34.377 0.300 . 1 . . . . 27 VAL CB . 10326 1 230 . 1 1 27 27 VAL CG1 C 13 21.690 0.300 . 2 . . . . 27 VAL CG1 . 10326 1 231 . 1 1 27 27 VAL CG2 C 13 20.775 0.300 . 2 . . . . 27 VAL CG2 . 10326 1 232 . 1 1 27 27 VAL N N 15 120.304 0.300 . 1 . . . . 27 VAL N . 10326 1 233 . 1 1 28 28 LYS H H 1 8.394 0.030 . 1 . . . . 28 LYS H . 10326 1 234 . 1 1 28 28 LYS HA H 1 4.573 0.030 . 1 . . . . 28 LYS HA . 10326 1 235 . 1 1 28 28 LYS HB2 H 1 1.619 0.030 . 2 . . . . 28 LYS HB2 . 10326 1 236 . 1 1 28 28 LYS HB3 H 1 1.683 0.030 . 2 . . . . 28 LYS HB3 . 10326 1 237 . 1 1 28 28 LYS HD2 H 1 1.640 0.030 . 1 . . . . 28 LYS HD2 . 10326 1 238 . 1 1 28 28 LYS HD3 H 1 1.640 0.030 . 1 . . . . 28 LYS HD3 . 10326 1 239 . 1 1 28 28 LYS HE2 H 1 2.963 0.030 . 1 . . . . 28 LYS HE2 . 10326 1 240 . 1 1 28 28 LYS HE3 H 1 2.963 0.030 . 1 . . . . 28 LYS HE3 . 10326 1 241 . 1 1 28 28 LYS HG2 H 1 1.373 0.030 . 1 . . . . 28 LYS HG2 . 10326 1 242 . 1 1 28 28 LYS HG3 H 1 1.373 0.030 . 1 . . . . 28 LYS HG3 . 10326 1 243 . 1 1 28 28 LYS C C 13 176.432 0.300 . 1 . . . . 28 LYS C . 10326 1 244 . 1 1 28 28 LYS CA C 13 55.090 0.300 . 1 . . . . 28 LYS CA . 10326 1 245 . 1 1 28 28 LYS CB C 13 33.713 0.300 . 1 . . . . 28 LYS CB . 10326 1 246 . 1 1 28 28 LYS CD C 13 29.293 0.300 . 1 . . . . 28 LYS CD . 10326 1 247 . 1 1 28 28 LYS CE C 13 42.122 0.300 . 1 . . . . 28 LYS CE . 10326 1 248 . 1 1 28 28 LYS CG C 13 24.670 0.300 . 1 . . . . 28 LYS CG . 10326 1 249 . 1 1 28 28 LYS N N 15 124.171 0.300 . 1 . . . . 28 LYS N . 10326 1 250 . 1 1 29 29 LEU H H 1 8.459 0.030 . 1 . . . . 29 LEU H . 10326 1 251 . 1 1 29 29 LEU HA H 1 3.883 0.030 . 1 . . . . 29 LEU HA . 10326 1 252 . 1 1 29 29 LEU HB2 H 1 1.448 0.030 . 1 . . . . 29 LEU HB2 . 10326 1 253 . 1 1 29 29 LEU HB3 H 1 1.448 0.030 . 1 . . . . 29 LEU HB3 . 10326 1 254 . 1 1 29 29 LEU HD11 H 1 0.582 0.030 . 1 . . . . 29 LEU HD1 . 10326 1 255 . 1 1 29 29 LEU HD12 H 1 0.582 0.030 . 1 . . . . 29 LEU HD1 . 10326 1 256 . 1 1 29 29 LEU HD13 H 1 0.582 0.030 . 1 . . . . 29 LEU HD1 . 10326 1 257 . 1 1 29 29 LEU HD21 H 1 0.679 0.030 . 1 . . . . 29 LEU HD2 . 10326 1 258 . 1 1 29 29 LEU HD22 H 1 0.679 0.030 . 1 . . . . 29 LEU HD2 . 10326 1 259 . 1 1 29 29 LEU HD23 H 1 0.679 0.030 . 1 . . . . 29 LEU HD2 . 10326 1 260 . 1 1 29 29 LEU HG H 1 1.473 0.030 . 1 . . . . 29 LEU HG . 10326 1 261 . 1 1 29 29 LEU C C 13 178.579 0.300 . 1 . . . . 29 LEU C . 10326 1 262 . 1 1 29 29 LEU CA C 13 56.291 0.300 . 1 . . . . 29 LEU CA . 10326 1 263 . 1 1 29 29 LEU CB C 13 41.574 0.300 . 1 . . . . 29 LEU CB . 10326 1 264 . 1 1 29 29 LEU CD1 C 13 23.665 0.300 . 2 . . . . 29 LEU CD1 . 10326 1 265 . 1 1 29 29 LEU CD2 C 13 24.767 0.300 . 2 . . . . 29 LEU CD2 . 10326 1 266 . 1 1 29 29 LEU CG C 13 26.917 0.300 . 1 . . . . 29 LEU CG . 10326 1 267 . 1 1 29 29 LEU N N 15 124.370 0.300 . 1 . . . . 29 LEU N . 10326 1 268 . 1 1 30 30 GLY H H 1 8.758 0.030 . 1 . . . . 30 GLY H . 10326 1 269 . 1 1 30 30 GLY HA2 H 1 3.490 0.030 . 2 . . . . 30 GLY HA2 . 10326 1 270 . 1 1 30 30 GLY HA3 H 1 4.240 0.030 . 2 . . . . 30 GLY HA3 . 10326 1 271 . 1 1 30 30 GLY C C 13 173.590 0.300 . 1 . . . . 30 GLY C . 10326 1 272 . 1 1 30 30 GLY CA C 13 45.637 0.300 . 1 . . . . 30 GLY CA . 10326 1 273 . 1 1 30 30 GLY N N 15 110.775 0.300 . 1 . . . . 30 GLY N . 10326 1 274 . 1 1 31 31 SER H H 1 7.743 0.030 . 1 . . . . 31 SER H . 10326 1 275 . 1 1 31 31 SER HA H 1 4.654 0.030 . 1 . . . . 31 SER HA . 10326 1 276 . 1 1 31 31 SER HB2 H 1 3.834 0.030 . 2 . . . . 31 SER HB2 . 10326 1 277 . 1 1 31 31 SER HB3 H 1 3.713 0.030 . 2 . . . . 31 SER HB3 . 10326 1 278 . 1 1 31 31 SER C C 13 172.474 0.300 . 1 . . . . 31 SER C . 10326 1 279 . 1 1 31 31 SER CA C 13 57.206 0.300 . 1 . . . . 31 SER CA . 10326 1 280 . 1 1 31 31 SER CB C 13 65.324 0.300 . 1 . . . . 31 SER CB . 10326 1 281 . 1 1 31 31 SER N N 15 115.642 0.300 . 1 . . . . 31 SER N . 10326 1 282 . 1 1 32 32 ALA H H 1 8.493 0.030 . 1 . . . . 32 ALA H . 10326 1 283 . 1 1 32 32 ALA HA H 1 4.173 0.030 . 1 . . . . 32 ALA HA . 10326 1 284 . 1 1 32 32 ALA HB1 H 1 1.197 0.030 . 1 . . . . 32 ALA HB . 10326 1 285 . 1 1 32 32 ALA HB2 H 1 1.197 0.030 . 1 . . . . 32 ALA HB . 10326 1 286 . 1 1 32 32 ALA HB3 H 1 1.197 0.030 . 1 . . . . 32 ALA HB . 10326 1 287 . 1 1 32 32 ALA C C 13 176.514 0.300 . 1 . . . . 32 ALA C . 10326 1 288 . 1 1 32 32 ALA CA C 13 53.069 0.300 . 1 . . . . 32 ALA CA . 10326 1 289 . 1 1 32 32 ALA CB C 13 18.717 0.300 . 1 . . . . 32 ALA CB . 10326 1 290 . 1 1 32 32 ALA N N 15 125.150 0.300 . 1 . . . . 32 ALA N . 10326 1 291 . 1 1 33 33 ALA H H 1 8.549 0.030 . 1 . . . . 33 ALA H . 10326 1 292 . 1 1 33 33 ALA HA H 1 4.432 0.030 . 1 . . . . 33 ALA HA . 10326 1 293 . 1 1 33 33 ALA HB1 H 1 1.031 0.030 . 1 . . . . 33 ALA HB . 10326 1 294 . 1 1 33 33 ALA HB2 H 1 1.031 0.030 . 1 . . . . 33 ALA HB . 10326 1 295 . 1 1 33 33 ALA HB3 H 1 1.031 0.030 . 1 . . . . 33 ALA HB . 10326 1 296 . 1 1 33 33 ALA C C 13 174.546 0.300 . 1 . . . . 33 ALA C . 10326 1 297 . 1 1 33 33 ALA CA C 13 50.987 0.300 . 1 . . . . 33 ALA CA . 10326 1 298 . 1 1 33 33 ALA CB C 13 21.982 0.300 . 1 . . . . 33 ALA CB . 10326 1 299 . 1 1 33 33 ALA N N 15 125.661 0.300 . 1 . . . . 33 ALA N . 10326 1 300 . 1 1 34 34 ASP H H 1 7.855 0.030 . 1 . . . . 34 ASP H . 10326 1 301 . 1 1 34 34 ASP HA H 1 5.448 0.030 . 1 . . . . 34 ASP HA . 10326 1 302 . 1 1 34 34 ASP HB2 H 1 2.278 0.030 . 2 . . . . 34 ASP HB2 . 10326 1 303 . 1 1 34 34 ASP HB3 H 1 2.373 0.030 . 2 . . . . 34 ASP HB3 . 10326 1 304 . 1 1 34 34 ASP C C 13 175.666 0.300 . 1 . . . . 34 ASP C . 10326 1 305 . 1 1 34 34 ASP CA C 13 52.864 0.300 . 1 . . . . 34 ASP CA . 10326 1 306 . 1 1 34 34 ASP CB C 13 43.001 0.300 . 1 . . . . 34 ASP CB . 10326 1 307 . 1 1 34 34 ASP N N 15 118.885 0.300 . 1 . . . . 34 ASP N . 10326 1 308 . 1 1 35 35 PHE H H 1 9.077 0.030 . 1 . . . . 35 PHE H . 10326 1 309 . 1 1 35 35 PHE HA H 1 4.779 0.030 . 1 . . . . 35 PHE HA . 10326 1 310 . 1 1 35 35 PHE HB2 H 1 2.794 0.030 . 2 . . . . 35 PHE HB2 . 10326 1 311 . 1 1 35 35 PHE HB3 H 1 3.034 0.030 . 2 . . . . 35 PHE HB3 . 10326 1 312 . 1 1 35 35 PHE HD1 H 1 7.172 0.030 . 1 . . . . 35 PHE HD1 . 10326 1 313 . 1 1 35 35 PHE HD2 H 1 7.172 0.030 . 1 . . . . 35 PHE HD2 . 10326 1 314 . 1 1 35 35 PHE HE1 H 1 7.066 0.030 . 1 . . . . 35 PHE HE1 . 10326 1 315 . 1 1 35 35 PHE HE2 H 1 7.066 0.030 . 1 . . . . 35 PHE HE2 . 10326 1 316 . 1 1 35 35 PHE HZ H 1 6.935 0.030 . 1 . . . . 35 PHE HZ . 10326 1 317 . 1 1 35 35 PHE C C 13 174.439 0.300 . 1 . . . . 35 PHE C . 10326 1 318 . 1 1 35 35 PHE CA C 13 56.778 0.300 . 1 . . . . 35 PHE CA . 10326 1 319 . 1 1 35 35 PHE CB C 13 41.758 0.300 . 1 . . . . 35 PHE CB . 10326 1 320 . 1 1 35 35 PHE CD1 C 13 132.103 0.300 . 1 . . . . 35 PHE CD1 . 10326 1 321 . 1 1 35 35 PHE CD2 C 13 132.103 0.300 . 1 . . . . 35 PHE CD2 . 10326 1 322 . 1 1 35 35 PHE CE1 C 13 131.456 0.300 . 1 . . . . 35 PHE CE1 . 10326 1 323 . 1 1 35 35 PHE CE2 C 13 131.456 0.300 . 1 . . . . 35 PHE CE2 . 10326 1 324 . 1 1 35 35 PHE CZ C 13 128.954 0.300 . 1 . . . . 35 PHE CZ . 10326 1 325 . 1 1 35 35 PHE N N 15 120.622 0.300 . 1 . . . . 35 PHE N . 10326 1 326 . 1 1 36 36 LEU H H 1 8.451 0.030 . 1 . . . . 36 LEU H . 10326 1 327 . 1 1 36 36 LEU HA H 1 4.380 0.030 . 1 . . . . 36 LEU HA . 10326 1 328 . 1 1 36 36 LEU HB2 H 1 1.522 0.030 . 1 . . . . 36 LEU HB2 . 10326 1 329 . 1 1 36 36 LEU HB3 H 1 1.522 0.030 . 1 . . . . 36 LEU HB3 . 10326 1 330 . 1 1 36 36 LEU HD11 H 1 0.736 0.030 . 1 . . . . 36 LEU HD1 . 10326 1 331 . 1 1 36 36 LEU HD12 H 1 0.736 0.030 . 1 . . . . 36 LEU HD1 . 10326 1 332 . 1 1 36 36 LEU HD13 H 1 0.736 0.030 . 1 . . . . 36 LEU HD1 . 10326 1 333 . 1 1 36 36 LEU HD21 H 1 0.681 0.030 . 1 . . . . 36 LEU HD2 . 10326 1 334 . 1 1 36 36 LEU HD22 H 1 0.681 0.030 . 1 . . . . 36 LEU HD2 . 10326 1 335 . 1 1 36 36 LEU HD23 H 1 0.681 0.030 . 1 . . . . 36 LEU HD2 . 10326 1 336 . 1 1 36 36 LEU HG H 1 1.483 0.030 . 1 . . . . 36 LEU HG . 10326 1 337 . 1 1 36 36 LEU C C 13 176.164 0.300 . 1 . . . . 36 LEU C . 10326 1 338 . 1 1 36 36 LEU CA C 13 55.887 0.300 . 1 . . . . 36 LEU CA . 10326 1 339 . 1 1 36 36 LEU CB C 13 43.007 0.300 . 1 . . . . 36 LEU CB . 10326 1 340 . 1 1 36 36 LEU CD1 C 13 25.120 0.300 . 2 . . . . 36 LEU CD1 . 10326 1 341 . 1 1 36 36 LEU CD2 C 13 24.931 0.300 . 2 . . . . 36 LEU CD2 . 10326 1 342 . 1 1 36 36 LEU CG C 13 27.409 0.300 . 1 . . . . 36 LEU CG . 10326 1 343 . 1 1 36 36 LEU N N 15 125.491 0.300 . 1 . . . . 36 LEU N . 10326 1 344 . 1 1 37 37 LEU H H 1 8.627 0.030 . 1 . . . . 37 LEU H . 10326 1 345 . 1 1 37 37 LEU HA H 1 4.745 0.030 . 1 . . . . 37 LEU HA . 10326 1 346 . 1 1 37 37 LEU HB2 H 1 1.742 0.030 . 2 . . . . 37 LEU HB2 . 10326 1 347 . 1 1 37 37 LEU HB3 H 1 1.271 0.030 . 2 . . . . 37 LEU HB3 . 10326 1 348 . 1 1 37 37 LEU HD11 H 1 0.747 0.030 . 1 . . . . 37 LEU HD1 . 10326 1 349 . 1 1 37 37 LEU HD12 H 1 0.747 0.030 . 1 . . . . 37 LEU HD1 . 10326 1 350 . 1 1 37 37 LEU HD13 H 1 0.747 0.030 . 1 . . . . 37 LEU HD1 . 10326 1 351 . 1 1 37 37 LEU HD21 H 1 0.864 0.030 . 1 . . . . 37 LEU HD2 . 10326 1 352 . 1 1 37 37 LEU HD22 H 1 0.864 0.030 . 1 . . . . 37 LEU HD2 . 10326 1 353 . 1 1 37 37 LEU HD23 H 1 0.864 0.030 . 1 . . . . 37 LEU HD2 . 10326 1 354 . 1 1 37 37 LEU HG H 1 1.731 0.030 . 1 . . . . 37 LEU HG . 10326 1 355 . 1 1 37 37 LEU C C 13 176.158 0.300 . 1 . . . . 37 LEU C . 10326 1 356 . 1 1 37 37 LEU CA C 13 53.279 0.300 . 1 . . . . 37 LEU CA . 10326 1 357 . 1 1 37 37 LEU CB C 13 45.091 0.300 . 1 . . . . 37 LEU CB . 10326 1 358 . 1 1 37 37 LEU CD1 C 13 26.616 0.300 . 2 . . . . 37 LEU CD1 . 10326 1 359 . 1 1 37 37 LEU CD2 C 13 23.352 0.300 . 2 . . . . 37 LEU CD2 . 10326 1 360 . 1 1 37 37 LEU CG C 13 26.692 0.300 . 1 . . . . 37 LEU CG . 10326 1 361 . 1 1 37 37 LEU N N 15 122.936 0.300 . 1 . . . . 37 LEU N . 10326 1 362 . 1 1 38 38 ASP H H 1 9.024 0.030 . 1 . . . . 38 ASP H . 10326 1 363 . 1 1 38 38 ASP HA H 1 4.821 0.030 . 1 . . . . 38 ASP HA . 10326 1 364 . 1 1 38 38 ASP HB2 H 1 2.806 0.030 . 2 . . . . 38 ASP HB2 . 10326 1 365 . 1 1 38 38 ASP HB3 H 1 2.479 0.030 . 2 . . . . 38 ASP HB3 . 10326 1 366 . 1 1 38 38 ASP C C 13 175.129 0.300 . 1 . . . . 38 ASP C . 10326 1 367 . 1 1 38 38 ASP CA C 13 53.247 0.300 . 1 . . . . 38 ASP CA . 10326 1 368 . 1 1 38 38 ASP CB C 13 39.466 0.300 . 1 . . . . 38 ASP CB . 10326 1 369 . 1 1 38 38 ASP N N 15 124.869 0.300 . 1 . . . . 38 ASP N . 10326 1 370 . 1 1 39 39 ILE H H 1 7.383 0.030 . 1 . . . . 39 ILE H . 10326 1 371 . 1 1 39 39 ILE HA H 1 4.576 0.030 . 1 . . . . 39 ILE HA . 10326 1 372 . 1 1 39 39 ILE HB H 1 1.957 0.030 . 1 . . . . 39 ILE HB . 10326 1 373 . 1 1 39 39 ILE HD11 H 1 0.796 0.030 . 1 . . . . 39 ILE HD1 . 10326 1 374 . 1 1 39 39 ILE HD12 H 1 0.796 0.030 . 1 . . . . 39 ILE HD1 . 10326 1 375 . 1 1 39 39 ILE HD13 H 1 0.796 0.030 . 1 . . . . 39 ILE HD1 . 10326 1 376 . 1 1 39 39 ILE HG12 H 1 1.031 0.030 . 2 . . . . 39 ILE HG12 . 10326 1 377 . 1 1 39 39 ILE HG13 H 1 1.401 0.030 . 2 . . . . 39 ILE HG13 . 10326 1 378 . 1 1 39 39 ILE HG21 H 1 0.866 0.030 . 1 . . . . 39 ILE HG2 . 10326 1 379 . 1 1 39 39 ILE HG22 H 1 0.866 0.030 . 1 . . . . 39 ILE HG2 . 10326 1 380 . 1 1 39 39 ILE HG23 H 1 0.866 0.030 . 1 . . . . 39 ILE HG2 . 10326 1 381 . 1 1 39 39 ILE C C 13 175.137 0.300 . 1 . . . . 39 ILE C . 10326 1 382 . 1 1 39 39 ILE CA C 13 59.422 0.300 . 1 . . . . 39 ILE CA . 10326 1 383 . 1 1 39 39 ILE CB C 13 41.233 0.300 . 1 . . . . 39 ILE CB . 10326 1 384 . 1 1 39 39 ILE CD1 C 13 14.164 0.300 . 1 . . . . 39 ILE CD1 . 10326 1 385 . 1 1 39 39 ILE CG1 C 13 25.914 0.300 . 1 . . . . 39 ILE CG1 . 10326 1 386 . 1 1 39 39 ILE CG2 C 13 17.586 0.300 . 1 . . . . 39 ILE CG2 . 10326 1 387 . 1 1 39 39 ILE N N 15 116.249 0.300 . 1 . . . . 39 ILE N . 10326 1 388 . 1 1 40 40 SER H H 1 8.795 0.030 . 1 . . . . 40 SER H . 10326 1 389 . 1 1 40 40 SER HA H 1 4.636 0.030 . 1 . . . . 40 SER HA . 10326 1 390 . 1 1 40 40 SER HB2 H 1 3.812 0.030 . 1 . . . . 40 SER HB2 . 10326 1 391 . 1 1 40 40 SER HB3 H 1 3.812 0.030 . 1 . . . . 40 SER HB3 . 10326 1 392 . 1 1 40 40 SER C C 13 174.178 0.300 . 1 . . . . 40 SER C . 10326 1 393 . 1 1 40 40 SER CA C 13 57.792 0.300 . 1 . . . . 40 SER CA . 10326 1 394 . 1 1 40 40 SER CB C 13 63.716 0.300 . 1 . . . . 40 SER CB . 10326 1 395 . 1 1 40 40 SER N N 15 118.545 0.300 . 1 . . . . 40 SER N . 10326 1 396 . 1 1 41 41 GLU H H 1 7.576 0.030 . 1 . . . . 41 GLU H . 10326 1 397 . 1 1 41 41 GLU HA H 1 4.321 0.030 . 1 . . . . 41 GLU HA . 10326 1 398 . 1 1 41 41 GLU HB2 H 1 1.808 0.030 . 2 . . . . 41 GLU HB2 . 10326 1 399 . 1 1 41 41 GLU HB3 H 1 1.870 0.030 . 2 . . . . 41 GLU HB3 . 10326 1 400 . 1 1 41 41 GLU HG2 H 1 2.056 0.030 . 2 . . . . 41 GLU HG2 . 10326 1 401 . 1 1 41 41 GLU HG3 H 1 2.250 0.030 . 2 . . . . 41 GLU HG3 . 10326 1 402 . 1 1 41 41 GLU C C 13 175.214 0.300 . 1 . . . . 41 GLU C . 10326 1 403 . 1 1 41 41 GLU CA C 13 56.049 0.300 . 1 . . . . 41 GLU CA . 10326 1 404 . 1 1 41 41 GLU CB C 13 31.695 0.300 . 1 . . . . 41 GLU CB . 10326 1 405 . 1 1 41 41 GLU CG C 13 35.968 0.300 . 1 . . . . 41 GLU CG . 10326 1 406 . 1 1 41 41 GLU N N 15 122.634 0.300 . 1 . . . . 41 GLU N . 10326 1 407 . 1 1 42 42 THR H H 1 8.227 0.030 . 1 . . . . 42 THR H . 10326 1 408 . 1 1 42 42 THR HA H 1 4.307 0.030 . 1 . . . . 42 THR HA . 10326 1 409 . 1 1 42 42 THR HB H 1 4.254 0.030 . 1 . . . . 42 THR HB . 10326 1 410 . 1 1 42 42 THR HG21 H 1 1.182 0.030 . 1 . . . . 42 THR HG2 . 10326 1 411 . 1 1 42 42 THR HG22 H 1 1.182 0.030 . 1 . . . . 42 THR HG2 . 10326 1 412 . 1 1 42 42 THR HG23 H 1 1.182 0.030 . 1 . . . . 42 THR HG2 . 10326 1 413 . 1 1 42 42 THR C C 13 174.576 0.300 . 1 . . . . 42 THR C . 10326 1 414 . 1 1 42 42 THR CA C 13 62.534 0.300 . 1 . . . . 42 THR CA . 10326 1 415 . 1 1 42 42 THR CB C 13 69.838 0.300 . 1 . . . . 42 THR CB . 10326 1 416 . 1 1 42 42 THR CG2 C 13 21.540 0.300 . 1 . . . . 42 THR CG2 . 10326 1 417 . 1 1 42 42 THR N N 15 113.262 0.300 . 1 . . . . 42 THR N . 10326 1 418 . 1 1 43 43 ASP H H 1 8.765 0.030 . 1 . . . . 43 ASP H . 10326 1 419 . 1 1 43 43 ASP HA H 1 4.890 0.030 . 1 . . . . 43 ASP HA . 10326 1 420 . 1 1 43 43 ASP HB2 H 1 2.591 0.030 . 2 . . . . 43 ASP HB2 . 10326 1 421 . 1 1 43 43 ASP HB3 H 1 2.889 0.030 . 2 . . . . 43 ASP HB3 . 10326 1 422 . 1 1 43 43 ASP C C 13 176.580 0.300 . 1 . . . . 43 ASP C . 10326 1 423 . 1 1 43 43 ASP CA C 13 52.536 0.300 . 1 . . . . 43 ASP CA . 10326 1 424 . 1 1 43 43 ASP CB C 13 40.507 0.300 . 1 . . . . 43 ASP CB . 10326 1 425 . 1 1 43 43 ASP N N 15 122.780 0.300 . 1 . . . . 43 ASP N . 10326 1 426 . 1 1 44 44 LEU H H 1 8.422 0.030 . 1 . . . . 44 LEU H . 10326 1 427 . 1 1 44 44 LEU HA H 1 3.899 0.030 . 1 . . . . 44 LEU HA . 10326 1 428 . 1 1 44 44 LEU HB2 H 1 1.670 0.030 . 1 . . . . 44 LEU HB2 . 10326 1 429 . 1 1 44 44 LEU HB3 H 1 1.670 0.030 . 1 . . . . 44 LEU HB3 . 10326 1 430 . 1 1 44 44 LEU HD11 H 1 0.847 0.030 . 1 . . . . 44 LEU HD1 . 10326 1 431 . 1 1 44 44 LEU HD12 H 1 0.847 0.030 . 1 . . . . 44 LEU HD1 . 10326 1 432 . 1 1 44 44 LEU HD13 H 1 0.847 0.030 . 1 . . . . 44 LEU HD1 . 10326 1 433 . 1 1 44 44 LEU HD21 H 1 0.779 0.030 . 1 . . . . 44 LEU HD2 . 10326 1 434 . 1 1 44 44 LEU HD22 H 1 0.779 0.030 . 1 . . . . 44 LEU HD2 . 10326 1 435 . 1 1 44 44 LEU HD23 H 1 0.779 0.030 . 1 . . . . 44 LEU HD2 . 10326 1 436 . 1 1 44 44 LEU HG H 1 1.692 0.030 . 1 . . . . 44 LEU HG . 10326 1 437 . 1 1 44 44 LEU C C 13 178.663 0.300 . 1 . . . . 44 LEU C . 10326 1 438 . 1 1 44 44 LEU CA C 13 57.598 0.300 . 1 . . . . 44 LEU CA . 10326 1 439 . 1 1 44 44 LEU CB C 13 41.767 0.300 . 1 . . . . 44 LEU CB . 10326 1 440 . 1 1 44 44 LEU CD1 C 13 25.293 0.300 . 2 . . . . 44 LEU CD1 . 10326 1 441 . 1 1 44 44 LEU CD2 C 13 24.625 0.300 . 2 . . . . 44 LEU CD2 . 10326 1 442 . 1 1 44 44 LEU CG C 13 27.278 0.300 . 1 . . . . 44 LEU CG . 10326 1 443 . 1 1 44 44 LEU N N 15 125.424 0.300 . 1 . . . . 44 LEU N . 10326 1 444 . 1 1 45 45 SER H H 1 8.299 0.030 . 1 . . . . 45 SER H . 10326 1 445 . 1 1 45 45 SER HA H 1 4.277 0.030 . 1 . . . . 45 SER HA . 10326 1 446 . 1 1 45 45 SER HB2 H 1 4.002 0.030 . 1 . . . . 45 SER HB2 . 10326 1 447 . 1 1 45 45 SER HB3 H 1 4.002 0.030 . 1 . . . . 45 SER HB3 . 10326 1 448 . 1 1 45 45 SER C C 13 175.174 0.300 . 1 . . . . 45 SER C . 10326 1 449 . 1 1 45 45 SER CA C 13 61.110 0.300 . 1 . . . . 45 SER CA . 10326 1 450 . 1 1 45 45 SER CB C 13 63.039 0.300 . 1 . . . . 45 SER CB . 10326 1 451 . 1 1 45 45 SER N N 15 113.715 0.300 . 1 . . . . 45 SER N . 10326 1 452 . 1 1 46 46 SER H H 1 7.672 0.030 . 1 . . . . 46 SER H . 10326 1 453 . 1 1 46 46 SER HA H 1 4.514 0.030 . 1 . . . . 46 SER HA . 10326 1 454 . 1 1 46 46 SER HB2 H 1 3.893 0.030 . 2 . . . . 46 SER HB2 . 10326 1 455 . 1 1 46 46 SER HB3 H 1 3.946 0.030 . 2 . . . . 46 SER HB3 . 10326 1 456 . 1 1 46 46 SER C C 13 173.688 0.300 . 1 . . . . 46 SER C . 10326 1 457 . 1 1 46 46 SER CA C 13 58.791 0.300 . 1 . . . . 46 SER CA . 10326 1 458 . 1 1 46 46 SER CB C 13 64.292 0.300 . 1 . . . . 46 SER CB . 10326 1 459 . 1 1 46 46 SER N N 15 115.678 0.300 . 1 . . . . 46 SER N . 10326 1 460 . 1 1 47 47 LEU H H 1 7.316 0.030 . 1 . . . . 47 LEU H . 10326 1 461 . 1 1 47 47 LEU HA H 1 5.246 0.030 . 1 . . . . 47 LEU HA . 10326 1 462 . 1 1 47 47 LEU HB2 H 1 1.120 0.030 . 2 . . . . 47 LEU HB2 . 10326 1 463 . 1 1 47 47 LEU HB3 H 1 1.781 0.030 . 2 . . . . 47 LEU HB3 . 10326 1 464 . 1 1 47 47 LEU HD11 H 1 0.676 0.030 . 1 . . . . 47 LEU HD1 . 10326 1 465 . 1 1 47 47 LEU HD12 H 1 0.676 0.030 . 1 . . . . 47 LEU HD1 . 10326 1 466 . 1 1 47 47 LEU HD13 H 1 0.676 0.030 . 1 . . . . 47 LEU HD1 . 10326 1 467 . 1 1 47 47 LEU HD21 H 1 0.635 0.030 . 1 . . . . 47 LEU HD2 . 10326 1 468 . 1 1 47 47 LEU HD22 H 1 0.635 0.030 . 1 . . . . 47 LEU HD2 . 10326 1 469 . 1 1 47 47 LEU HD23 H 1 0.635 0.030 . 1 . . . . 47 LEU HD2 . 10326 1 470 . 1 1 47 47 LEU HG H 1 1.756 0.030 . 1 . . . . 47 LEU HG . 10326 1 471 . 1 1 47 47 LEU C C 13 177.185 0.300 . 1 . . . . 47 LEU C . 10326 1 472 . 1 1 47 47 LEU CA C 13 53.565 0.300 . 1 . . . . 47 LEU CA . 10326 1 473 . 1 1 47 47 LEU CB C 13 44.474 0.300 . 1 . . . . 47 LEU CB . 10326 1 474 . 1 1 47 47 LEU CD1 C 13 25.800 0.300 . 2 . . . . 47 LEU CD1 . 10326 1 475 . 1 1 47 47 LEU CD2 C 13 23.111 0.300 . 2 . . . . 47 LEU CD2 . 10326 1 476 . 1 1 47 47 LEU CG C 13 26.226 0.300 . 1 . . . . 47 LEU CG . 10326 1 477 . 1 1 47 47 LEU N N 15 121.068 0.300 . 1 . . . . 47 LEU N . 10326 1 478 . 1 1 48 48 THR H H 1 8.982 0.030 . 1 . . . . 48 THR H . 10326 1 479 . 1 1 48 48 THR HA H 1 4.527 0.030 . 1 . . . . 48 THR HA . 10326 1 480 . 1 1 48 48 THR HB H 1 4.032 0.030 . 1 . . . . 48 THR HB . 10326 1 481 . 1 1 48 48 THR HG21 H 1 1.121 0.030 . 1 . . . . 48 THR HG2 . 10326 1 482 . 1 1 48 48 THR HG22 H 1 1.121 0.030 . 1 . . . . 48 THR HG2 . 10326 1 483 . 1 1 48 48 THR HG23 H 1 1.121 0.030 . 1 . . . . 48 THR HG2 . 10326 1 484 . 1 1 48 48 THR C C 13 172.928 0.300 . 1 . . . . 48 THR C . 10326 1 485 . 1 1 48 48 THR CA C 13 60.741 0.300 . 1 . . . . 48 THR CA . 10326 1 486 . 1 1 48 48 THR CB C 13 71.547 0.300 . 1 . . . . 48 THR CB . 10326 1 487 . 1 1 48 48 THR CG2 C 13 21.589 0.300 . 1 . . . . 48 THR CG2 . 10326 1 488 . 1 1 48 48 THR N N 15 113.828 0.300 . 1 . . . . 48 THR N . 10326 1 489 . 1 1 49 49 ALA H H 1 8.784 0.030 . 1 . . . . 49 ALA H . 10326 1 490 . 1 1 49 49 ALA HA H 1 5.717 0.030 . 1 . . . . 49 ALA HA . 10326 1 491 . 1 1 49 49 ALA HB1 H 1 1.198 0.030 . 1 . . . . 49 ALA HB . 10326 1 492 . 1 1 49 49 ALA HB2 H 1 1.198 0.030 . 1 . . . . 49 ALA HB . 10326 1 493 . 1 1 49 49 ALA HB3 H 1 1.198 0.030 . 1 . . . . 49 ALA HB . 10326 1 494 . 1 1 49 49 ALA C C 13 175.953 0.300 . 1 . . . . 49 ALA C . 10326 1 495 . 1 1 49 49 ALA CA C 13 50.127 0.300 . 1 . . . . 49 ALA CA . 10326 1 496 . 1 1 49 49 ALA CB C 13 23.464 0.300 . 1 . . . . 49 ALA CB . 10326 1 497 . 1 1 49 49 ALA N N 15 125.501 0.300 . 1 . . . . 49 ALA N . 10326 1 498 . 1 1 50 50 SER H H 1 8.710 0.030 . 1 . . . . 50 SER H . 10326 1 499 . 1 1 50 50 SER HA H 1 4.827 0.030 . 1 . . . . 50 SER HA . 10326 1 500 . 1 1 50 50 SER HB2 H 1 3.680 0.030 . 2 . . . . 50 SER HB2 . 10326 1 501 . 1 1 50 50 SER HB3 H 1 3.780 0.030 . 2 . . . . 50 SER HB3 . 10326 1 502 . 1 1 50 50 SER C C 13 171.965 0.300 . 1 . . . . 50 SER C . 10326 1 503 . 1 1 50 50 SER CA C 13 57.232 0.300 . 1 . . . . 50 SER CA . 10326 1 504 . 1 1 50 50 SER CB C 13 65.640 0.300 . 1 . . . . 50 SER CB . 10326 1 505 . 1 1 50 50 SER N N 15 115.138 0.300 . 1 . . . . 50 SER N . 10326 1 506 . 1 1 51 51 ILE H H 1 8.928 0.030 . 1 . . . . 51 ILE H . 10326 1 507 . 1 1 51 51 ILE HA H 1 4.766 0.030 . 1 . . . . 51 ILE HA . 10326 1 508 . 1 1 51 51 ILE HB H 1 1.579 0.030 . 1 . . . . 51 ILE HB . 10326 1 509 . 1 1 51 51 ILE HD11 H 1 -0.139 0.030 . 1 . . . . 51 ILE HD1 . 10326 1 510 . 1 1 51 51 ILE HD12 H 1 -0.139 0.030 . 1 . . . . 51 ILE HD1 . 10326 1 511 . 1 1 51 51 ILE HD13 H 1 -0.139 0.030 . 1 . . . . 51 ILE HD1 . 10326 1 512 . 1 1 51 51 ILE HG12 H 1 0.631 0.030 . 2 . . . . 51 ILE HG12 . 10326 1 513 . 1 1 51 51 ILE HG13 H 1 1.407 0.030 . 2 . . . . 51 ILE HG13 . 10326 1 514 . 1 1 51 51 ILE HG21 H 1 0.393 0.030 . 1 . . . . 51 ILE HG2 . 10326 1 515 . 1 1 51 51 ILE HG22 H 1 0.393 0.030 . 1 . . . . 51 ILE HG2 . 10326 1 516 . 1 1 51 51 ILE HG23 H 1 0.393 0.030 . 1 . . . . 51 ILE HG2 . 10326 1 517 . 1 1 51 51 ILE C C 13 173.850 0.300 . 1 . . . . 51 ILE C . 10326 1 518 . 1 1 51 51 ILE CA C 13 60.042 0.300 . 1 . . . . 51 ILE CA . 10326 1 519 . 1 1 51 51 ILE CB C 13 41.410 0.300 . 1 . . . . 51 ILE CB . 10326 1 520 . 1 1 51 51 ILE CD1 C 13 14.003 0.300 . 1 . . . . 51 ILE CD1 . 10326 1 521 . 1 1 51 51 ILE CG1 C 13 28.071 0.300 . 1 . . . . 51 ILE CG1 . 10326 1 522 . 1 1 51 51 ILE CG2 C 13 16.985 0.300 . 1 . . . . 51 ILE CG2 . 10326 1 523 . 1 1 51 51 ILE N N 15 121.011 0.300 . 1 . . . . 51 ILE N . 10326 1 524 . 1 1 52 52 LYS H H 1 8.642 0.030 . 1 . . . . 52 LYS H . 10326 1 525 . 1 1 52 52 LYS HA H 1 4.969 0.030 . 1 . . . . 52 LYS HA . 10326 1 526 . 1 1 52 52 LYS HB2 H 1 1.689 0.030 . 1 . . . . 52 LYS HB2 . 10326 1 527 . 1 1 52 52 LYS HB3 H 1 1.689 0.030 . 1 . . . . 52 LYS HB3 . 10326 1 528 . 1 1 52 52 LYS HD2 H 1 1.589 0.030 . 2 . . . . 52 LYS HD2 . 10326 1 529 . 1 1 52 52 LYS HD3 H 1 1.649 0.030 . 2 . . . . 52 LYS HD3 . 10326 1 530 . 1 1 52 52 LYS HE2 H 1 2.955 0.030 . 1 . . . . 52 LYS HE2 . 10326 1 531 . 1 1 52 52 LYS HE3 H 1 2.955 0.030 . 1 . . . . 52 LYS HE3 . 10326 1 532 . 1 1 52 52 LYS HG2 H 1 1.293 0.030 . 2 . . . . 52 LYS HG2 . 10326 1 533 . 1 1 52 52 LYS HG3 H 1 1.445 0.030 . 2 . . . . 52 LYS HG3 . 10326 1 534 . 1 1 52 52 LYS C C 13 175.855 0.300 . 1 . . . . 52 LYS C . 10326 1 535 . 1 1 52 52 LYS CA C 13 54.270 0.300 . 1 . . . . 52 LYS CA . 10326 1 536 . 1 1 52 52 LYS CB C 13 34.512 0.300 . 1 . . . . 52 LYS CB . 10326 1 537 . 1 1 52 52 LYS CD C 13 29.167 0.300 . 1 . . . . 52 LYS CD . 10326 1 538 . 1 1 52 52 LYS CE C 13 41.621 0.300 . 1 . . . . 52 LYS CE . 10326 1 539 . 1 1 52 52 LYS CG C 13 23.886 0.300 . 1 . . . . 52 LYS CG . 10326 1 540 . 1 1 52 52 LYS N N 15 128.239 0.300 . 1 . . . . 52 LYS N . 10326 1 541 . 1 1 53 53 ALA H H 1 8.798 0.030 . 1 . . . . 53 ALA H . 10326 1 542 . 1 1 53 53 ALA HA H 1 4.024 0.030 . 1 . . . . 53 ALA HA . 10326 1 543 . 1 1 53 53 ALA HB1 H 1 1.361 0.030 . 1 . . . . 53 ALA HB . 10326 1 544 . 1 1 53 53 ALA HB2 H 1 1.361 0.030 . 1 . . . . 53 ALA HB . 10326 1 545 . 1 1 53 53 ALA HB3 H 1 1.361 0.030 . 1 . . . . 53 ALA HB . 10326 1 546 . 1 1 53 53 ALA C C 13 176.488 0.300 . 1 . . . . 53 ALA C . 10326 1 547 . 1 1 53 53 ALA CA C 13 50.428 0.300 . 1 . . . . 53 ALA CA . 10326 1 548 . 1 1 53 53 ALA CB C 13 18.409 0.300 . 1 . . . . 53 ALA CB . 10326 1 549 . 1 1 53 53 ALA N N 15 130.354 0.300 . 1 . . . . 53 ALA N . 10326 1 550 . 1 1 54 54 PRO HA H 1 4.209 0.030 . 1 . . . . 54 PRO HA . 10326 1 551 . 1 1 54 54 PRO HB2 H 1 1.974 0.030 . 2 . . . . 54 PRO HB2 . 10326 1 552 . 1 1 54 54 PRO HB3 H 1 2.401 0.030 . 2 . . . . 54 PRO HB3 . 10326 1 553 . 1 1 54 54 PRO HD2 H 1 3.148 0.030 . 2 . . . . 54 PRO HD2 . 10326 1 554 . 1 1 54 54 PRO HD3 H 1 1.931 0.030 . 2 . . . . 54 PRO HD3 . 10326 1 555 . 1 1 54 54 PRO HG2 H 1 2.095 0.030 . 2 . . . . 54 PRO HG2 . 10326 1 556 . 1 1 54 54 PRO HG3 H 1 1.872 0.030 . 2 . . . . 54 PRO HG3 . 10326 1 557 . 1 1 54 54 PRO C C 13 178.368 0.300 . 1 . . . . 54 PRO C . 10326 1 558 . 1 1 54 54 PRO CA C 13 65.951 0.300 . 1 . . . . 54 PRO CA . 10326 1 559 . 1 1 54 54 PRO CB C 13 31.331 0.300 . 1 . . . . 54 PRO CB . 10326 1 560 . 1 1 54 54 PRO CD C 13 49.216 0.300 . 1 . . . . 54 PRO CD . 10326 1 561 . 1 1 54 54 PRO CG C 13 26.522 0.300 . 1 . . . . 54 PRO CG . 10326 1 562 . 1 1 55 55 SER H H 1 8.899 0.030 . 1 . . . . 55 SER H . 10326 1 563 . 1 1 55 55 SER HA H 1 4.121 0.030 . 1 . . . . 55 SER HA . 10326 1 564 . 1 1 55 55 SER HB2 H 1 3.899 0.030 . 2 . . . . 55 SER HB2 . 10326 1 565 . 1 1 55 55 SER HB3 H 1 4.091 0.030 . 2 . . . . 55 SER HB3 . 10326 1 566 . 1 1 55 55 SER C C 13 176.106 0.300 . 1 . . . . 55 SER C . 10326 1 567 . 1 1 55 55 SER CA C 13 59.729 0.300 . 1 . . . . 55 SER CA . 10326 1 568 . 1 1 55 55 SER CB C 13 62.651 0.300 . 1 . . . . 55 SER CB . 10326 1 569 . 1 1 55 55 SER N N 15 110.810 0.300 . 1 . . . . 55 SER N . 10326 1 570 . 1 1 56 56 GLY H H 1 8.480 0.030 . 1 . . . . 56 GLY H . 10326 1 571 . 1 1 56 56 GLY HA2 H 1 3.440 0.030 . 2 . . . . 56 GLY HA2 . 10326 1 572 . 1 1 56 56 GLY HA3 H 1 4.476 0.030 . 2 . . . . 56 GLY HA3 . 10326 1 573 . 1 1 56 56 GLY C C 13 173.786 0.300 . 1 . . . . 56 GLY C . 10326 1 574 . 1 1 56 56 GLY CA C 13 44.595 0.300 . 1 . . . . 56 GLY CA . 10326 1 575 . 1 1 56 56 GLY N N 15 111.304 0.300 . 1 . . . . 56 GLY N . 10326 1 576 . 1 1 57 57 ARG H H 1 7.336 0.030 . 1 . . . . 57 ARG H . 10326 1 577 . 1 1 57 57 ARG HA H 1 4.124 0.030 . 1 . . . . 57 ARG HA . 10326 1 578 . 1 1 57 57 ARG HB2 H 1 1.609 0.030 . 2 . . . . 57 ARG HB2 . 10326 1 579 . 1 1 57 57 ARG HB3 H 1 1.709 0.030 . 2 . . . . 57 ARG HB3 . 10326 1 580 . 1 1 57 57 ARG HD2 H 1 3.210 0.030 . 1 . . . . 57 ARG HD2 . 10326 1 581 . 1 1 57 57 ARG HD3 H 1 3.210 0.030 . 1 . . . . 57 ARG HD3 . 10326 1 582 . 1 1 57 57 ARG HG2 H 1 1.621 0.030 . 1 . . . . 57 ARG HG2 . 10326 1 583 . 1 1 57 57 ARG HG3 H 1 1.621 0.030 . 1 . . . . 57 ARG HG3 . 10326 1 584 . 1 1 57 57 ARG C C 13 174.563 0.300 . 1 . . . . 57 ARG C . 10326 1 585 . 1 1 57 57 ARG CA C 13 56.944 0.300 . 1 . . . . 57 ARG CA . 10326 1 586 . 1 1 57 57 ARG CB C 13 31.366 0.300 . 1 . . . . 57 ARG CB . 10326 1 587 . 1 1 57 57 ARG CD C 13 43.451 0.300 . 1 . . . . 57 ARG CD . 10326 1 588 . 1 1 57 57 ARG CG C 13 27.403 0.300 . 1 . . . . 57 ARG CG . 10326 1 589 . 1 1 57 57 ARG N N 15 121.175 0.300 . 1 . . . . 57 ARG N . 10326 1 590 . 1 1 58 58 ASP H H 1 8.348 0.030 . 1 . . . . 58 ASP H . 10326 1 591 . 1 1 58 58 ASP HA H 1 5.370 0.030 . 1 . . . . 58 ASP HA . 10326 1 592 . 1 1 58 58 ASP HB2 H 1 2.489 0.030 . 2 . . . . 58 ASP HB2 . 10326 1 593 . 1 1 58 58 ASP HB3 H 1 2.603 0.030 . 2 . . . . 58 ASP HB3 . 10326 1 594 . 1 1 58 58 ASP C C 13 176.247 0.300 . 1 . . . . 58 ASP C . 10326 1 595 . 1 1 58 58 ASP CA C 13 53.608 0.300 . 1 . . . . 58 ASP CA . 10326 1 596 . 1 1 58 58 ASP CB C 13 42.706 0.300 . 1 . . . . 58 ASP CB . 10326 1 597 . 1 1 58 58 ASP N N 15 123.749 0.300 . 1 . . . . 58 ASP N . 10326 1 598 . 1 1 59 59 GLU H H 1 8.398 0.030 . 1 . . . . 59 GLU H . 10326 1 599 . 1 1 59 59 GLU HA H 1 5.370 0.030 . 1 . . . . 59 GLU HA . 10326 1 600 . 1 1 59 59 GLU HB2 H 1 1.594 0.030 . 2 . . . . 59 GLU HB2 . 10326 1 601 . 1 1 59 59 GLU HB3 H 1 2.079 0.030 . 2 . . . . 59 GLU HB3 . 10326 1 602 . 1 1 59 59 GLU HG2 H 1 2.353 0.030 . 1 . . . . 59 GLU HG2 . 10326 1 603 . 1 1 59 59 GLU HG3 H 1 2.353 0.030 . 1 . . . . 59 GLU HG3 . 10326 1 604 . 1 1 59 59 GLU C C 13 174.543 0.300 . 1 . . . . 59 GLU C . 10326 1 605 . 1 1 59 59 GLU CA C 13 52.390 0.300 . 1 . . . . 59 GLU CA . 10326 1 606 . 1 1 59 59 GLU CB C 13 31.502 0.300 . 1 . . . . 59 GLU CB . 10326 1 607 . 1 1 59 59 GLU CG C 13 34.550 0.300 . 1 . . . . 59 GLU CG . 10326 1 608 . 1 1 59 59 GLU N N 15 123.101 0.300 . 1 . . . . 59 GLU N . 10326 1 609 . 1 1 60 60 PRO HA H 1 4.628 0.030 . 1 . . . . 60 PRO HA . 10326 1 610 . 1 1 60 60 PRO HB2 H 1 1.992 0.030 . 2 . . . . 60 PRO HB2 . 10326 1 611 . 1 1 60 60 PRO HB3 H 1 2.437 0.030 . 2 . . . . 60 PRO HB3 . 10326 1 612 . 1 1 60 60 PRO HD2 H 1 3.873 0.030 . 2 . . . . 60 PRO HD2 . 10326 1 613 . 1 1 60 60 PRO HD3 H 1 3.978 0.030 . 2 . . . . 60 PRO HD3 . 10326 1 614 . 1 1 60 60 PRO HG2 H 1 2.200 0.030 . 2 . . . . 60 PRO HG2 . 10326 1 615 . 1 1 60 60 PRO HG3 H 1 2.081 0.030 . 2 . . . . 60 PRO HG3 . 10326 1 616 . 1 1 60 60 PRO C C 13 176.323 0.300 . 1 . . . . 60 PRO C . 10326 1 617 . 1 1 60 60 PRO CA C 13 63.042 0.300 . 1 . . . . 60 PRO CA . 10326 1 618 . 1 1 60 60 PRO CB C 13 32.268 0.300 . 1 . . . . 60 PRO CB . 10326 1 619 . 1 1 60 60 PRO CD C 13 50.853 0.300 . 1 . . . . 60 PRO CD . 10326 1 620 . 1 1 60 60 PRO CG C 13 27.614 0.300 . 1 . . . . 60 PRO CG . 10326 1 621 . 1 1 61 61 CYS H H 1 8.490 0.030 . 1 . . . . 61 CYS H . 10326 1 622 . 1 1 61 61 CYS HA H 1 5.416 0.030 . 1 . . . . 61 CYS HA . 10326 1 623 . 1 1 61 61 CYS HB2 H 1 2.587 0.030 . 2 . . . . 61 CYS HB2 . 10326 1 624 . 1 1 61 61 CYS HB3 H 1 2.890 0.030 . 2 . . . . 61 CYS HB3 . 10326 1 625 . 1 1 61 61 CYS C C 13 172.683 0.300 . 1 . . . . 61 CYS C . 10326 1 626 . 1 1 61 61 CYS CA C 13 56.096 0.300 . 1 . . . . 61 CYS CA . 10326 1 627 . 1 1 61 61 CYS CB C 13 32.245 0.300 . 1 . . . . 61 CYS CB . 10326 1 628 . 1 1 61 61 CYS N N 15 116.313 0.300 . 1 . . . . 61 CYS N . 10326 1 629 . 1 1 62 62 LEU H H 1 8.485 0.030 . 1 . . . . 62 LEU H . 10326 1 630 . 1 1 62 62 LEU HA H 1 4.703 0.030 . 1 . . . . 62 LEU HA . 10326 1 631 . 1 1 62 62 LEU HB2 H 1 1.585 0.030 . 2 . . . . 62 LEU HB2 . 10326 1 632 . 1 1 62 62 LEU HB3 H 1 1.679 0.030 . 2 . . . . 62 LEU HB3 . 10326 1 633 . 1 1 62 62 LEU HD11 H 1 0.926 0.030 . 1 . . . . 62 LEU HD1 . 10326 1 634 . 1 1 62 62 LEU HD12 H 1 0.926 0.030 . 1 . . . . 62 LEU HD1 . 10326 1 635 . 1 1 62 62 LEU HD13 H 1 0.926 0.030 . 1 . . . . 62 LEU HD1 . 10326 1 636 . 1 1 62 62 LEU HD21 H 1 0.959 0.030 . 1 . . . . 62 LEU HD2 . 10326 1 637 . 1 1 62 62 LEU HD22 H 1 0.959 0.030 . 1 . . . . 62 LEU HD2 . 10326 1 638 . 1 1 62 62 LEU HD23 H 1 0.959 0.030 . 1 . . . . 62 LEU HD2 . 10326 1 639 . 1 1 62 62 LEU HG H 1 1.581 0.030 . 1 . . . . 62 LEU HG . 10326 1 640 . 1 1 62 62 LEU C C 13 175.702 0.300 . 1 . . . . 62 LEU C . 10326 1 641 . 1 1 62 62 LEU CA C 13 54.430 0.300 . 1 . . . . 62 LEU CA . 10326 1 642 . 1 1 62 62 LEU CB C 13 45.261 0.300 . 1 . . . . 62 LEU CB . 10326 1 643 . 1 1 62 62 LEU CD1 C 13 25.072 0.300 . 2 . . . . 62 LEU CD1 . 10326 1 644 . 1 1 62 62 LEU CD2 C 13 24.664 0.300 . 2 . . . . 62 LEU CD2 . 10326 1 645 . 1 1 62 62 LEU CG C 13 26.834 0.300 . 1 . . . . 62 LEU CG . 10326 1 646 . 1 1 62 62 LEU N N 15 121.671 0.300 . 1 . . . . 62 LEU N . 10326 1 647 . 1 1 63 63 LEU H H 1 8.579 0.030 . 1 . . . . 63 LEU H . 10326 1 648 . 1 1 63 63 LEU HA H 1 5.030 0.030 . 1 . . . . 63 LEU HA . 10326 1 649 . 1 1 63 63 LEU HB2 H 1 1.358 0.030 . 2 . . . . 63 LEU HB2 . 10326 1 650 . 1 1 63 63 LEU HB3 H 1 1.705 0.030 . 2 . . . . 63 LEU HB3 . 10326 1 651 . 1 1 63 63 LEU HD11 H 1 0.784 0.030 . 1 . . . . 63 LEU HD1 . 10326 1 652 . 1 1 63 63 LEU HD12 H 1 0.784 0.030 . 1 . . . . 63 LEU HD1 . 10326 1 653 . 1 1 63 63 LEU HD13 H 1 0.784 0.030 . 1 . . . . 63 LEU HD1 . 10326 1 654 . 1 1 63 63 LEU HD21 H 1 0.720 0.030 . 1 . . . . 63 LEU HD2 . 10326 1 655 . 1 1 63 63 LEU HD22 H 1 0.720 0.030 . 1 . . . . 63 LEU HD2 . 10326 1 656 . 1 1 63 63 LEU HD23 H 1 0.720 0.030 . 1 . . . . 63 LEU HD2 . 10326 1 657 . 1 1 63 63 LEU HG H 1 1.556 0.030 . 1 . . . . 63 LEU HG . 10326 1 658 . 1 1 63 63 LEU C C 13 176.336 0.300 . 1 . . . . 63 LEU C . 10326 1 659 . 1 1 63 63 LEU CA C 13 54.162 0.300 . 1 . . . . 63 LEU CA . 10326 1 660 . 1 1 63 63 LEU CB C 13 44.054 0.300 . 1 . . . . 63 LEU CB . 10326 1 661 . 1 1 63 63 LEU CD1 C 13 26.522 0.300 . 2 . . . . 63 LEU CD1 . 10326 1 662 . 1 1 63 63 LEU CD2 C 13 24.545 0.300 . 2 . . . . 63 LEU CD2 . 10326 1 663 . 1 1 63 63 LEU CG C 13 27.032 0.300 . 1 . . . . 63 LEU CG . 10326 1 664 . 1 1 63 63 LEU N N 15 124.553 0.300 . 1 . . . . 63 LEU N . 10326 1 665 . 1 1 64 64 LYS H H 1 8.894 0.030 . 1 . . . . 64 LYS H . 10326 1 666 . 1 1 64 64 LYS HA H 1 4.634 0.030 . 1 . . . . 64 LYS HA . 10326 1 667 . 1 1 64 64 LYS HB2 H 1 1.535 0.030 . 2 . . . . 64 LYS HB2 . 10326 1 668 . 1 1 64 64 LYS HB3 H 1 1.622 0.030 . 2 . . . . 64 LYS HB3 . 10326 1 669 . 1 1 64 64 LYS HD2 H 1 1.532 0.030 . 1 . . . . 64 LYS HD2 . 10326 1 670 . 1 1 64 64 LYS HD3 H 1 1.532 0.030 . 1 . . . . 64 LYS HD3 . 10326 1 671 . 1 1 64 64 LYS HE2 H 1 2.775 0.030 . 1 . . . . 64 LYS HE2 . 10326 1 672 . 1 1 64 64 LYS HE3 H 1 2.775 0.030 . 1 . . . . 64 LYS HE3 . 10326 1 673 . 1 1 64 64 LYS HG2 H 1 1.100 0.030 . 2 . . . . 64 LYS HG2 . 10326 1 674 . 1 1 64 64 LYS HG3 H 1 1.212 0.030 . 2 . . . . 64 LYS HG3 . 10326 1 675 . 1 1 64 64 LYS C C 13 174.163 0.300 . 1 . . . . 64 LYS C . 10326 1 676 . 1 1 64 64 LYS CA C 13 54.585 0.300 . 1 . . . . 64 LYS CA . 10326 1 677 . 1 1 64 64 LYS CB C 13 35.965 0.300 . 1 . . . . 64 LYS CB . 10326 1 678 . 1 1 64 64 LYS CD C 13 29.570 0.300 . 1 . . . . 64 LYS CD . 10326 1 679 . 1 1 64 64 LYS CE C 13 41.863 0.300 . 1 . . . . 64 LYS CE . 10326 1 680 . 1 1 64 64 LYS CG C 13 23.535 0.300 . 1 . . . . 64 LYS CG . 10326 1 681 . 1 1 64 64 LYS N N 15 120.066 0.300 . 1 . . . . 64 LYS N . 10326 1 682 . 1 1 65 65 ARG H H 1 8.610 0.030 . 1 . . . . 65 ARG H . 10326 1 683 . 1 1 65 65 ARG HA H 1 4.619 0.030 . 1 . . . . 65 ARG HA . 10326 1 684 . 1 1 65 65 ARG HB2 H 1 1.724 0.030 . 2 . . . . 65 ARG HB2 . 10326 1 685 . 1 1 65 65 ARG HB3 H 1 1.874 0.030 . 2 . . . . 65 ARG HB3 . 10326 1 686 . 1 1 65 65 ARG HD2 H 1 3.244 0.030 . 2 . . . . 65 ARG HD2 . 10326 1 687 . 1 1 65 65 ARG HD3 H 1 3.287 0.030 . 2 . . . . 65 ARG HD3 . 10326 1 688 . 1 1 65 65 ARG HG2 H 1 1.714 0.030 . 1 . . . . 65 ARG HG2 . 10326 1 689 . 1 1 65 65 ARG HG3 H 1 1.714 0.030 . 1 . . . . 65 ARG HG3 . 10326 1 690 . 1 1 65 65 ARG C C 13 175.617 0.300 . 1 . . . . 65 ARG C . 10326 1 691 . 1 1 65 65 ARG CA C 13 55.539 0.300 . 1 . . . . 65 ARG CA . 10326 1 692 . 1 1 65 65 ARG CB C 13 30.164 0.300 . 1 . . . . 65 ARG CB . 10326 1 693 . 1 1 65 65 ARG CD C 13 42.848 0.300 . 1 . . . . 65 ARG CD . 10326 1 694 . 1 1 65 65 ARG CG C 13 27.141 0.300 . 1 . . . . 65 ARG CG . 10326 1 695 . 1 1 65 65 ARG N N 15 121.638 0.300 . 1 . . . . 65 ARG N . 10326 1 696 . 1 1 66 66 LEU H H 1 8.617 0.030 . 1 . . . . 66 LEU H . 10326 1 697 . 1 1 66 66 LEU HA H 1 4.691 0.030 . 1 . . . . 66 LEU HA . 10326 1 698 . 1 1 66 66 LEU HB2 H 1 1.449 0.030 . 2 . . . . 66 LEU HB2 . 10326 1 699 . 1 1 66 66 LEU HB3 H 1 1.658 0.030 . 2 . . . . 66 LEU HB3 . 10326 1 700 . 1 1 66 66 LEU HD11 H 1 0.781 0.030 . 1 . . . . 66 LEU HD1 . 10326 1 701 . 1 1 66 66 LEU HD12 H 1 0.781 0.030 . 1 . . . . 66 LEU HD1 . 10326 1 702 . 1 1 66 66 LEU HD13 H 1 0.781 0.030 . 1 . . . . 66 LEU HD1 . 10326 1 703 . 1 1 66 66 LEU HD21 H 1 0.794 0.030 . 1 . . . . 66 LEU HD2 . 10326 1 704 . 1 1 66 66 LEU HD22 H 1 0.794 0.030 . 1 . . . . 66 LEU HD2 . 10326 1 705 . 1 1 66 66 LEU HD23 H 1 0.794 0.030 . 1 . . . . 66 LEU HD2 . 10326 1 706 . 1 1 66 66 LEU HG H 1 1.549 0.030 . 1 . . . . 66 LEU HG . 10326 1 707 . 1 1 66 66 LEU C C 13 175.389 0.300 . 1 . . . . 66 LEU C . 10326 1 708 . 1 1 66 66 LEU CA C 13 53.058 0.300 . 1 . . . . 66 LEU CA . 10326 1 709 . 1 1 66 66 LEU CB C 13 41.594 0.300 . 1 . . . . 66 LEU CB . 10326 1 710 . 1 1 66 66 LEU CD1 C 13 25.578 0.300 . 2 . . . . 66 LEU CD1 . 10326 1 711 . 1 1 66 66 LEU CD2 C 13 22.746 0.300 . 2 . . . . 66 LEU CD2 . 10326 1 712 . 1 1 66 66 LEU CG C 13 27.686 0.300 . 1 . . . . 66 LEU CG . 10326 1 713 . 1 1 66 66 LEU N N 15 128.159 0.300 . 1 . . . . 66 LEU N . 10326 1 714 . 1 1 67 67 PRO HA H 1 4.361 0.030 . 1 . . . . 67 PRO HA . 10326 1 715 . 1 1 67 67 PRO HB2 H 1 1.812 0.030 . 2 . . . . 67 PRO HB2 . 10326 1 716 . 1 1 67 67 PRO HB3 H 1 2.376 0.030 . 2 . . . . 67 PRO HB3 . 10326 1 717 . 1 1 67 67 PRO HD2 H 1 3.779 0.030 . 2 . . . . 67 PRO HD2 . 10326 1 718 . 1 1 67 67 PRO HD3 H 1 3.612 0.030 . 2 . . . . 67 PRO HD3 . 10326 1 719 . 1 1 67 67 PRO HG2 H 1 2.091 0.030 . 2 . . . . 67 PRO HG2 . 10326 1 720 . 1 1 67 67 PRO HG3 H 1 1.980 0.030 . 2 . . . . 67 PRO HG3 . 10326 1 721 . 1 1 67 67 PRO CA C 13 64.224 0.300 . 1 . . . . 67 PRO CA . 10326 1 722 . 1 1 67 67 PRO CB C 13 32.030 0.300 . 1 . . . . 67 PRO CB . 10326 1 723 . 1 1 67 67 PRO CD C 13 50.872 0.300 . 1 . . . . 67 PRO CD . 10326 1 724 . 1 1 67 67 PRO CG C 13 27.910 0.300 . 1 . . . . 67 PRO CG . 10326 1 725 . 1 1 68 68 ASN HA H 1 4.370 0.030 . 1 . . . . 68 ASN HA . 10326 1 726 . 1 1 68 68 ASN HB2 H 1 2.881 0.030 . 2 . . . . 68 ASN HB2 . 10326 1 727 . 1 1 68 68 ASN HB3 H 1 2.983 0.030 . 2 . . . . 68 ASN HB3 . 10326 1 728 . 1 1 68 68 ASN HD21 H 1 6.590 0.030 . 2 . . . . 68 ASN HD21 . 10326 1 729 . 1 1 68 68 ASN HD22 H 1 7.570 0.030 . 2 . . . . 68 ASN HD22 . 10326 1 730 . 1 1 68 68 ASN C C 13 174.656 0.300 . 1 . . . . 68 ASN C . 10326 1 731 . 1 1 68 68 ASN CA C 13 53.567 0.300 . 1 . . . . 68 ASN CA . 10326 1 732 . 1 1 68 68 ASN CB C 13 36.848 0.300 . 1 . . . . 68 ASN CB . 10326 1 733 . 1 1 68 68 ASN ND2 N 15 111.675 0.300 . 1 . . . . 68 ASN ND2 . 10326 1 734 . 1 1 69 69 ASN H H 1 8.572 0.030 . 1 . . . . 69 ASN H . 10326 1 735 . 1 1 69 69 ASN HA H 1 4.350 0.030 . 1 . . . . 69 ASN HA . 10326 1 736 . 1 1 69 69 ASN HB2 H 1 2.827 0.030 . 2 . . . . 69 ASN HB2 . 10326 1 737 . 1 1 69 69 ASN HB3 H 1 3.044 0.030 . 2 . . . . 69 ASN HB3 . 10326 1 738 . 1 1 69 69 ASN HD21 H 1 6.844 0.030 . 2 . . . . 69 ASN HD21 . 10326 1 739 . 1 1 69 69 ASN HD22 H 1 7.543 0.030 . 2 . . . . 69 ASN HD22 . 10326 1 740 . 1 1 69 69 ASN C C 13 174.586 0.300 . 1 . . . . 69 ASN C . 10326 1 741 . 1 1 69 69 ASN CA C 13 54.716 0.300 . 1 . . . . 69 ASN CA . 10326 1 742 . 1 1 69 69 ASN CB C 13 37.317 0.300 . 1 . . . . 69 ASN CB . 10326 1 743 . 1 1 69 69 ASN N N 15 111.366 0.300 . 1 . . . . 69 ASN N . 10326 1 744 . 1 1 69 69 ASN ND2 N 15 112.938 0.300 . 1 . . . . 69 ASN ND2 . 10326 1 745 . 1 1 70 70 HIS H H 1 7.224 0.030 . 1 . . . . 70 HIS H . 10326 1 746 . 1 1 70 70 HIS HA H 1 4.913 0.030 . 1 . . . . 70 HIS HA . 10326 1 747 . 1 1 70 70 HIS HB2 H 1 2.952 0.030 . 2 . . . . 70 HIS HB2 . 10326 1 748 . 1 1 70 70 HIS HB3 H 1 3.212 0.030 . 2 . . . . 70 HIS HB3 . 10326 1 749 . 1 1 70 70 HIS HD2 H 1 7.123 0.030 . 1 . . . . 70 HIS HD2 . 10326 1 750 . 1 1 70 70 HIS HE1 H 1 8.120 0.030 . 1 . . . . 70 HIS HE1 . 10326 1 751 . 1 1 70 70 HIS C C 13 174.043 0.300 . 1 . . . . 70 HIS C . 10326 1 752 . 1 1 70 70 HIS CA C 13 55.683 0.300 . 1 . . . . 70 HIS CA . 10326 1 753 . 1 1 70 70 HIS CB C 13 31.852 0.300 . 1 . . . . 70 HIS CB . 10326 1 754 . 1 1 70 70 HIS CD2 C 13 121.852 0.300 . 1 . . . . 70 HIS CD2 . 10326 1 755 . 1 1 70 70 HIS CE1 C 13 137.774 0.300 . 1 . . . . 70 HIS CE1 . 10326 1 756 . 1 1 70 70 HIS N N 15 116.767 0.300 . 1 . . . . 70 HIS N . 10326 1 757 . 1 1 71 71 ILE H H 1 9.241 0.030 . 1 . . . . 71 ILE H . 10326 1 758 . 1 1 71 71 ILE HA H 1 4.777 0.030 . 1 . . . . 71 ILE HA . 10326 1 759 . 1 1 71 71 ILE HB H 1 1.791 0.030 . 1 . . . . 71 ILE HB . 10326 1 760 . 1 1 71 71 ILE HD11 H 1 0.774 0.030 . 1 . . . . 71 ILE HD1 . 10326 1 761 . 1 1 71 71 ILE HD12 H 1 0.774 0.030 . 1 . . . . 71 ILE HD1 . 10326 1 762 . 1 1 71 71 ILE HD13 H 1 0.774 0.030 . 1 . . . . 71 ILE HD1 . 10326 1 763 . 1 1 71 71 ILE HG12 H 1 1.613 0.030 . 2 . . . . 71 ILE HG12 . 10326 1 764 . 1 1 71 71 ILE HG13 H 1 1.133 0.030 . 2 . . . . 71 ILE HG13 . 10326 1 765 . 1 1 71 71 ILE HG21 H 1 0.900 0.030 . 1 . . . . 71 ILE HG2 . 10326 1 766 . 1 1 71 71 ILE HG22 H 1 0.900 0.030 . 1 . . . . 71 ILE HG2 . 10326 1 767 . 1 1 71 71 ILE HG23 H 1 0.900 0.030 . 1 . . . . 71 ILE HG2 . 10326 1 768 . 1 1 71 71 ILE C C 13 174.445 0.300 . 1 . . . . 71 ILE C . 10326 1 769 . 1 1 71 71 ILE CA C 13 60.429 0.300 . 1 . . . . 71 ILE CA . 10326 1 770 . 1 1 71 71 ILE CB C 13 39.870 0.300 . 1 . . . . 71 ILE CB . 10326 1 771 . 1 1 71 71 ILE CD1 C 13 13.112 0.300 . 1 . . . . 71 ILE CD1 . 10326 1 772 . 1 1 71 71 ILE CG1 C 13 28.042 0.300 . 1 . . . . 71 ILE CG1 . 10326 1 773 . 1 1 71 71 ILE CG2 C 13 18.603 0.300 . 1 . . . . 71 ILE CG2 . 10326 1 774 . 1 1 71 71 ILE N N 15 121.977 0.300 . 1 . . . . 71 ILE N . 10326 1 775 . 1 1 72 72 GLY H H 1 9.070 0.030 . 1 . . . . 72 GLY H . 10326 1 776 . 1 1 72 72 GLY HA2 H 1 3.618 0.030 . 2 . . . . 72 GLY HA2 . 10326 1 777 . 1 1 72 72 GLY HA3 H 1 5.120 0.030 . 2 . . . . 72 GLY HA3 . 10326 1 778 . 1 1 72 72 GLY C C 13 171.279 0.300 . 1 . . . . 72 GLY C . 10326 1 779 . 1 1 72 72 GLY CA C 13 44.404 0.300 . 1 . . . . 72 GLY CA . 10326 1 780 . 1 1 72 72 GLY N N 15 112.386 0.300 . 1 . . . . 72 GLY N . 10326 1 781 . 1 1 73 73 ILE H H 1 8.943 0.030 . 1 . . . . 73 ILE H . 10326 1 782 . 1 1 73 73 ILE HA H 1 5.372 0.030 . 1 . . . . 73 ILE HA . 10326 1 783 . 1 1 73 73 ILE HB H 1 1.594 0.030 . 1 . . . . 73 ILE HB . 10326 1 784 . 1 1 73 73 ILE HD11 H 1 0.737 0.030 . 1 . . . . 73 ILE HD1 . 10326 1 785 . 1 1 73 73 ILE HD12 H 1 0.737 0.030 . 1 . . . . 73 ILE HD1 . 10326 1 786 . 1 1 73 73 ILE HD13 H 1 0.737 0.030 . 1 . . . . 73 ILE HD1 . 10326 1 787 . 1 1 73 73 ILE HG12 H 1 1.036 0.030 . 2 . . . . 73 ILE HG12 . 10326 1 788 . 1 1 73 73 ILE HG13 H 1 1.550 0.030 . 2 . . . . 73 ILE HG13 . 10326 1 789 . 1 1 73 73 ILE HG21 H 1 0.935 0.030 . 1 . . . . 73 ILE HG2 . 10326 1 790 . 1 1 73 73 ILE HG22 H 1 0.935 0.030 . 1 . . . . 73 ILE HG2 . 10326 1 791 . 1 1 73 73 ILE HG23 H 1 0.935 0.030 . 1 . . . . 73 ILE HG2 . 10326 1 792 . 1 1 73 73 ILE C C 13 173.459 0.300 . 1 . . . . 73 ILE C . 10326 1 793 . 1 1 73 73 ILE CA C 13 57.991 0.300 . 1 . . . . 73 ILE CA . 10326 1 794 . 1 1 73 73 ILE CB C 13 43.071 0.300 . 1 . . . . 73 ILE CB . 10326 1 795 . 1 1 73 73 ILE CD1 C 13 15.807 0.300 . 1 . . . . 73 ILE CD1 . 10326 1 796 . 1 1 73 73 ILE CG1 C 13 28.776 0.300 . 1 . . . . 73 ILE CG1 . 10326 1 797 . 1 1 73 73 ILE CG2 C 13 17.750 0.300 . 1 . . . . 73 ILE CG2 . 10326 1 798 . 1 1 73 73 ILE N N 15 116.246 0.300 . 1 . . . . 73 ILE N . 10326 1 799 . 1 1 74 74 SER H H 1 8.808 0.030 . 1 . . . . 74 SER H . 10326 1 800 . 1 1 74 74 SER HA H 1 5.977 0.030 . 1 . . . . 74 SER HA . 10326 1 801 . 1 1 74 74 SER HB2 H 1 3.703 0.030 . 1 . . . . 74 SER HB2 . 10326 1 802 . 1 1 74 74 SER HB3 H 1 3.703 0.030 . 1 . . . . 74 SER HB3 . 10326 1 803 . 1 1 74 74 SER C C 13 174.435 0.300 . 1 . . . . 74 SER C . 10326 1 804 . 1 1 74 74 SER CA C 13 56.333 0.300 . 1 . . . . 74 SER CA . 10326 1 805 . 1 1 74 74 SER CB C 13 65.524 0.300 . 1 . . . . 74 SER CB . 10326 1 806 . 1 1 74 74 SER N N 15 119.347 0.300 . 1 . . . . 74 SER N . 10326 1 807 . 1 1 75 75 PHE H H 1 8.804 0.030 . 1 . . . . 75 PHE H . 10326 1 808 . 1 1 75 75 PHE HA H 1 4.909 0.030 . 1 . . . . 75 PHE HA . 10326 1 809 . 1 1 75 75 PHE HB2 H 1 3.294 0.030 . 2 . . . . 75 PHE HB2 . 10326 1 810 . 1 1 75 75 PHE HB3 H 1 3.220 0.030 . 2 . . . . 75 PHE HB3 . 10326 1 811 . 1 1 75 75 PHE HD1 H 1 6.892 0.030 . 1 . . . . 75 PHE HD1 . 10326 1 812 . 1 1 75 75 PHE HD2 H 1 6.892 0.030 . 1 . . . . 75 PHE HD2 . 10326 1 813 . 1 1 75 75 PHE HE1 H 1 6.757 0.030 . 1 . . . . 75 PHE HE1 . 10326 1 814 . 1 1 75 75 PHE HE2 H 1 6.757 0.030 . 1 . . . . 75 PHE HE2 . 10326 1 815 . 1 1 75 75 PHE HZ H 1 6.189 0.030 . 1 . . . . 75 PHE HZ . 10326 1 816 . 1 1 75 75 PHE C C 13 171.846 0.300 . 1 . . . . 75 PHE C . 10326 1 817 . 1 1 75 75 PHE CA C 13 55.594 0.300 . 1 . . . . 75 PHE CA . 10326 1 818 . 1 1 75 75 PHE CB C 13 40.772 0.300 . 1 . . . . 75 PHE CB . 10326 1 819 . 1 1 75 75 PHE CD1 C 13 132.487 0.300 . 1 . . . . 75 PHE CD1 . 10326 1 820 . 1 1 75 75 PHE CD2 C 13 132.487 0.300 . 1 . . . . 75 PHE CD2 . 10326 1 821 . 1 1 75 75 PHE CE1 C 13 130.512 0.300 . 1 . . . . 75 PHE CE1 . 10326 1 822 . 1 1 75 75 PHE CE2 C 13 130.512 0.300 . 1 . . . . 75 PHE CE2 . 10326 1 823 . 1 1 75 75 PHE CZ C 13 128.156 0.300 . 1 . . . . 75 PHE CZ . 10326 1 824 . 1 1 75 75 PHE N N 15 123.344 0.300 . 1 . . . . 75 PHE N . 10326 1 825 . 1 1 76 76 ILE H H 1 9.062 0.030 . 1 . . . . 76 ILE H . 10326 1 826 . 1 1 76 76 ILE HA H 1 4.457 0.030 . 1 . . . . 76 ILE HA . 10326 1 827 . 1 1 76 76 ILE HB H 1 1.697 0.030 . 1 . . . . 76 ILE HB . 10326 1 828 . 1 1 76 76 ILE HD11 H 1 0.834 0.030 . 1 . . . . 76 ILE HD1 . 10326 1 829 . 1 1 76 76 ILE HD12 H 1 0.834 0.030 . 1 . . . . 76 ILE HD1 . 10326 1 830 . 1 1 76 76 ILE HD13 H 1 0.834 0.030 . 1 . . . . 76 ILE HD1 . 10326 1 831 . 1 1 76 76 ILE HG12 H 1 0.670 0.030 . 2 . . . . 76 ILE HG12 . 10326 1 832 . 1 1 76 76 ILE HG13 H 1 1.556 0.030 . 2 . . . . 76 ILE HG13 . 10326 1 833 . 1 1 76 76 ILE HG21 H 1 0.538 0.030 . 1 . . . . 76 ILE HG2 . 10326 1 834 . 1 1 76 76 ILE HG22 H 1 0.538 0.030 . 1 . . . . 76 ILE HG2 . 10326 1 835 . 1 1 76 76 ILE HG23 H 1 0.538 0.030 . 1 . . . . 76 ILE HG2 . 10326 1 836 . 1 1 76 76 ILE C C 13 173.218 0.300 . 1 . . . . 76 ILE C . 10326 1 837 . 1 1 76 76 ILE CA C 13 57.933 0.300 . 1 . . . . 76 ILE CA . 10326 1 838 . 1 1 76 76 ILE CB C 13 38.839 0.300 . 1 . . . . 76 ILE CB . 10326 1 839 . 1 1 76 76 ILE CD1 C 13 13.549 0.300 . 1 . . . . 76 ILE CD1 . 10326 1 840 . 1 1 76 76 ILE CG1 C 13 27.309 0.300 . 1 . . . . 76 ILE CG1 . 10326 1 841 . 1 1 76 76 ILE CG2 C 13 16.942 0.300 . 1 . . . . 76 ILE CG2 . 10326 1 842 . 1 1 76 76 ILE N N 15 121.506 0.300 . 1 . . . . 76 ILE N . 10326 1 843 . 1 1 77 77 PRO HA H 1 4.459 0.030 . 1 . . . . 77 PRO HA . 10326 1 844 . 1 1 77 77 PRO HB2 H 1 1.852 0.030 . 2 . . . . 77 PRO HB2 . 10326 1 845 . 1 1 77 77 PRO HB3 H 1 1.727 0.030 . 2 . . . . 77 PRO HB3 . 10326 1 846 . 1 1 77 77 PRO HD2 H 1 3.288 0.030 . 2 . . . . 77 PRO HD2 . 10326 1 847 . 1 1 77 77 PRO HD3 H 1 3.978 0.030 . 2 . . . . 77 PRO HD3 . 10326 1 848 . 1 1 77 77 PRO HG2 H 1 1.180 0.030 . 2 . . . . 77 PRO HG2 . 10326 1 849 . 1 1 77 77 PRO HG3 H 1 1.839 0.030 . 2 . . . . 77 PRO HG3 . 10326 1 850 . 1 1 77 77 PRO C C 13 176.693 0.300 . 1 . . . . 77 PRO C . 10326 1 851 . 1 1 77 77 PRO CA C 13 62.275 0.300 . 1 . . . . 77 PRO CA . 10326 1 852 . 1 1 77 77 PRO CB C 13 32.649 0.300 . 1 . . . . 77 PRO CB . 10326 1 853 . 1 1 77 77 PRO CD C 13 50.795 0.300 . 1 . . . . 77 PRO CD . 10326 1 854 . 1 1 77 77 PRO CG C 13 27.223 0.300 . 1 . . . . 77 PRO CG . 10326 1 855 . 1 1 78 78 ARG H H 1 10.278 0.030 . 1 . . . . 78 ARG H . 10326 1 856 . 1 1 78 78 ARG HA H 1 4.525 0.030 . 1 . . . . 78 ARG HA . 10326 1 857 . 1 1 78 78 ARG HB2 H 1 1.942 0.030 . 2 . . . . 78 ARG HB2 . 10326 1 858 . 1 1 78 78 ARG HB3 H 1 1.986 0.030 . 2 . . . . 78 ARG HB3 . 10326 1 859 . 1 1 78 78 ARG HD2 H 1 3.203 0.030 . 2 . . . . 78 ARG HD2 . 10326 1 860 . 1 1 78 78 ARG HD3 H 1 3.266 0.030 . 2 . . . . 78 ARG HD3 . 10326 1 861 . 1 1 78 78 ARG HG2 H 1 1.677 0.030 . 2 . . . . 78 ARG HG2 . 10326 1 862 . 1 1 78 78 ARG HG3 H 1 1.839 0.030 . 2 . . . . 78 ARG HG3 . 10326 1 863 . 1 1 78 78 ARG C C 13 175.470 0.300 . 1 . . . . 78 ARG C . 10326 1 864 . 1 1 78 78 ARG CA C 13 55.565 0.300 . 1 . . . . 78 ARG CA . 10326 1 865 . 1 1 78 78 ARG CB C 13 33.192 0.300 . 1 . . . . 78 ARG CB . 10326 1 866 . 1 1 78 78 ARG CD C 13 43.673 0.300 . 1 . . . . 78 ARG CD . 10326 1 867 . 1 1 78 78 ARG CG C 13 27.281 0.300 . 1 . . . . 78 ARG CG . 10326 1 868 . 1 1 78 78 ARG N N 15 122.000 0.300 . 1 . . . . 78 ARG N . 10326 1 869 . 1 1 79 79 GLU H H 1 8.182 0.030 . 1 . . . . 79 GLU H . 10326 1 870 . 1 1 79 79 GLU HA H 1 4.651 0.030 . 1 . . . . 79 GLU HA . 10326 1 871 . 1 1 79 79 GLU HB2 H 1 1.927 0.030 . 2 . . . . 79 GLU HB2 . 10326 1 872 . 1 1 79 79 GLU HB3 H 1 2.144 0.030 . 2 . . . . 79 GLU HB3 . 10326 1 873 . 1 1 79 79 GLU HG2 H 1 2.346 0.030 . 2 . . . . 79 GLU HG2 . 10326 1 874 . 1 1 79 79 GLU HG3 H 1 2.208 0.030 . 2 . . . . 79 GLU HG3 . 10326 1 875 . 1 1 79 79 GLU C C 13 174.090 0.300 . 1 . . . . 79 GLU C . 10326 1 876 . 1 1 79 79 GLU CA C 13 54.185 0.300 . 1 . . . . 79 GLU CA . 10326 1 877 . 1 1 79 79 GLU CB C 13 33.592 0.300 . 1 . . . . 79 GLU CB . 10326 1 878 . 1 1 79 79 GLU CG C 13 35.640 0.300 . 1 . . . . 79 GLU CG . 10326 1 879 . 1 1 79 79 GLU N N 15 120.618 0.300 . 1 . . . . 79 GLU N . 10326 1 880 . 1 1 80 80 VAL H H 1 8.025 0.030 . 1 . . . . 80 VAL H . 10326 1 881 . 1 1 80 80 VAL HA H 1 4.164 0.030 . 1 . . . . 80 VAL HA . 10326 1 882 . 1 1 80 80 VAL HB H 1 2.238 0.030 . 1 . . . . 80 VAL HB . 10326 1 883 . 1 1 80 80 VAL HG11 H 1 1.027 0.030 . 1 . . . . 80 VAL HG1 . 10326 1 884 . 1 1 80 80 VAL HG12 H 1 1.027 0.030 . 1 . . . . 80 VAL HG1 . 10326 1 885 . 1 1 80 80 VAL HG13 H 1 1.027 0.030 . 1 . . . . 80 VAL HG1 . 10326 1 886 . 1 1 80 80 VAL HG21 H 1 0.964 0.030 . 1 . . . . 80 VAL HG2 . 10326 1 887 . 1 1 80 80 VAL HG22 H 1 0.964 0.030 . 1 . . . . 80 VAL HG2 . 10326 1 888 . 1 1 80 80 VAL HG23 H 1 0.964 0.030 . 1 . . . . 80 VAL HG2 . 10326 1 889 . 1 1 80 80 VAL C C 13 176.202 0.300 . 1 . . . . 80 VAL C . 10326 1 890 . 1 1 80 80 VAL CA C 13 61.463 0.300 . 1 . . . . 80 VAL CA . 10326 1 891 . 1 1 80 80 VAL CB C 13 32.984 0.300 . 1 . . . . 80 VAL CB . 10326 1 892 . 1 1 80 80 VAL CG1 C 13 22.502 0.300 . 2 . . . . 80 VAL CG1 . 10326 1 893 . 1 1 80 80 VAL CG2 C 13 20.109 0.300 . 2 . . . . 80 VAL CG2 . 10326 1 894 . 1 1 80 80 VAL N N 15 113.583 0.300 . 1 . . . . 80 VAL N . 10326 1 895 . 1 1 81 81 GLY H H 1 9.023 0.030 . 1 . . . . 81 GLY H . 10326 1 896 . 1 1 81 81 GLY HA2 H 1 3.860 0.030 . 2 . . . . 81 GLY HA2 . 10326 1 897 . 1 1 81 81 GLY HA3 H 1 4.775 0.030 . 2 . . . . 81 GLY HA3 . 10326 1 898 . 1 1 81 81 GLY C C 13 175.996 0.300 . 1 . . . . 81 GLY C . 10326 1 899 . 1 1 81 81 GLY CA C 13 43.837 0.300 . 1 . . . . 81 GLY CA . 10326 1 900 . 1 1 81 81 GLY N N 15 108.996 0.300 . 1 . . . . 81 GLY N . 10326 1 901 . 1 1 82 82 GLU H H 1 9.150 0.030 . 1 . . . . 82 GLU H . 10326 1 902 . 1 1 82 82 GLU HA H 1 4.579 0.030 . 1 . . . . 82 GLU HA . 10326 1 903 . 1 1 82 82 GLU HB2 H 1 1.832 0.030 . 2 . . . . 82 GLU HB2 . 10326 1 904 . 1 1 82 82 GLU HB3 H 1 2.063 0.030 . 2 . . . . 82 GLU HB3 . 10326 1 905 . 1 1 82 82 GLU HG2 H 1 2.113 0.030 . 2 . . . . 82 GLU HG2 . 10326 1 906 . 1 1 82 82 GLU HG3 H 1 1.912 0.030 . 2 . . . . 82 GLU HG3 . 10326 1 907 . 1 1 82 82 GLU C C 13 175.500 0.300 . 1 . . . . 82 GLU C . 10326 1 908 . 1 1 82 82 GLU CA C 13 58.057 0.300 . 1 . . . . 82 GLU CA . 10326 1 909 . 1 1 82 82 GLU CB C 13 30.213 0.300 . 1 . . . . 82 GLU CB . 10326 1 910 . 1 1 82 82 GLU CG C 13 36.538 0.300 . 1 . . . . 82 GLU CG . 10326 1 911 . 1 1 82 82 GLU N N 15 124.577 0.300 . 1 . . . . 82 GLU N . 10326 1 912 . 1 1 83 83 HIS H H 1 9.820 0.030 . 1 . . . . 83 HIS H . 10326 1 913 . 1 1 83 83 HIS HA H 1 4.851 0.030 . 1 . . . . 83 HIS HA . 10326 1 914 . 1 1 83 83 HIS HB2 H 1 2.901 0.030 . 2 . . . . 83 HIS HB2 . 10326 1 915 . 1 1 83 83 HIS HB3 H 1 2.540 0.030 . 2 . . . . 83 HIS HB3 . 10326 1 916 . 1 1 83 83 HIS HD2 H 1 6.477 0.030 . 1 . . . . 83 HIS HD2 . 10326 1 917 . 1 1 83 83 HIS HE1 H 1 8.000 0.030 . 1 . . . . 83 HIS HE1 . 10326 1 918 . 1 1 83 83 HIS C C 13 173.607 0.300 . 1 . . . . 83 HIS C . 10326 1 919 . 1 1 83 83 HIS CA C 13 55.089 0.300 . 1 . . . . 83 HIS CA . 10326 1 920 . 1 1 83 83 HIS CB C 13 30.215 0.300 . 1 . . . . 83 HIS CB . 10326 1 921 . 1 1 83 83 HIS CD2 C 13 127.440 0.300 . 1 . . . . 83 HIS CD2 . 10326 1 922 . 1 1 83 83 HIS CE1 C 13 140.565 0.300 . 1 . . . . 83 HIS CE1 . 10326 1 923 . 1 1 83 83 HIS N N 15 128.226 0.300 . 1 . . . . 83 HIS N . 10326 1 924 . 1 1 84 84 LEU H H 1 8.362 0.030 . 1 . . . . 84 LEU H . 10326 1 925 . 1 1 84 84 LEU HA H 1 5.060 0.030 . 1 . . . . 84 LEU HA . 10326 1 926 . 1 1 84 84 LEU HB2 H 1 1.281 0.030 . 2 . . . . 84 LEU HB2 . 10326 1 927 . 1 1 84 84 LEU HB3 H 1 1.601 0.030 . 2 . . . . 84 LEU HB3 . 10326 1 928 . 1 1 84 84 LEU HD11 H 1 0.780 0.030 . 1 . . . . 84 LEU HD1 . 10326 1 929 . 1 1 84 84 LEU HD12 H 1 0.780 0.030 . 1 . . . . 84 LEU HD1 . 10326 1 930 . 1 1 84 84 LEU HD13 H 1 0.780 0.030 . 1 . . . . 84 LEU HD1 . 10326 1 931 . 1 1 84 84 LEU HD21 H 1 0.727 0.030 . 1 . . . . 84 LEU HD2 . 10326 1 932 . 1 1 84 84 LEU HD22 H 1 0.727 0.030 . 1 . . . . 84 LEU HD2 . 10326 1 933 . 1 1 84 84 LEU HD23 H 1 0.727 0.030 . 1 . . . . 84 LEU HD2 . 10326 1 934 . 1 1 84 84 LEU HG H 1 1.462 0.030 . 1 . . . . 84 LEU HG . 10326 1 935 . 1 1 84 84 LEU C C 13 176.819 0.300 . 1 . . . . 84 LEU C . 10326 1 936 . 1 1 84 84 LEU CA C 13 53.342 0.300 . 1 . . . . 84 LEU CA . 10326 1 937 . 1 1 84 84 LEU CB C 13 44.345 0.300 . 1 . . . . 84 LEU CB . 10326 1 938 . 1 1 84 84 LEU CD1 C 13 24.835 0.300 . 2 . . . . 84 LEU CD1 . 10326 1 939 . 1 1 84 84 LEU CD2 C 13 23.894 0.300 . 2 . . . . 84 LEU CD2 . 10326 1 940 . 1 1 84 84 LEU CG C 13 27.141 0.300 . 1 . . . . 84 LEU CG . 10326 1 941 . 1 1 84 84 LEU N N 15 121.988 0.300 . 1 . . . . 84 LEU N . 10326 1 942 . 1 1 85 85 VAL H H 1 9.902 0.030 . 1 . . . . 85 VAL H . 10326 1 943 . 1 1 85 85 VAL HA H 1 4.694 0.030 . 1 . . . . 85 VAL HA . 10326 1 944 . 1 1 85 85 VAL HB H 1 2.195 0.030 . 1 . . . . 85 VAL HB . 10326 1 945 . 1 1 85 85 VAL HG11 H 1 0.763 0.030 . 1 . . . . 85 VAL HG1 . 10326 1 946 . 1 1 85 85 VAL HG12 H 1 0.763 0.030 . 1 . . . . 85 VAL HG1 . 10326 1 947 . 1 1 85 85 VAL HG13 H 1 0.763 0.030 . 1 . . . . 85 VAL HG1 . 10326 1 948 . 1 1 85 85 VAL HG21 H 1 0.666 0.030 . 1 . . . . 85 VAL HG2 . 10326 1 949 . 1 1 85 85 VAL HG22 H 1 0.666 0.030 . 1 . . . . 85 VAL HG2 . 10326 1 950 . 1 1 85 85 VAL HG23 H 1 0.666 0.030 . 1 . . . . 85 VAL HG2 . 10326 1 951 . 1 1 85 85 VAL C C 13 175.650 0.300 . 1 . . . . 85 VAL C . 10326 1 952 . 1 1 85 85 VAL CA C 13 60.935 0.300 . 1 . . . . 85 VAL CA . 10326 1 953 . 1 1 85 85 VAL CB C 13 32.430 0.300 . 1 . . . . 85 VAL CB . 10326 1 954 . 1 1 85 85 VAL CG1 C 13 21.263 0.300 . 2 . . . . 85 VAL CG1 . 10326 1 955 . 1 1 85 85 VAL CG2 C 13 20.500 0.300 . 2 . . . . 85 VAL CG2 . 10326 1 956 . 1 1 85 85 VAL N N 15 130.371 0.300 . 1 . . . . 85 VAL N . 10326 1 957 . 1 1 86 86 SER H H 1 9.222 0.030 . 1 . . . . 86 SER H . 10326 1 958 . 1 1 86 86 SER HA H 1 4.969 0.030 . 1 . . . . 86 SER HA . 10326 1 959 . 1 1 86 86 SER HB2 H 1 3.850 0.030 . 2 . . . . 86 SER HB2 . 10326 1 960 . 1 1 86 86 SER HB3 H 1 3.360 0.030 . 2 . . . . 86 SER HB3 . 10326 1 961 . 1 1 86 86 SER C C 13 173.011 0.300 . 1 . . . . 86 SER C . 10326 1 962 . 1 1 86 86 SER CA C 13 58.299 0.300 . 1 . . . . 86 SER CA . 10326 1 963 . 1 1 86 86 SER CB C 13 64.252 0.300 . 1 . . . . 86 SER CB . 10326 1 964 . 1 1 86 86 SER N N 15 123.574 0.300 . 1 . . . . 86 SER N . 10326 1 965 . 1 1 87 87 ILE H H 1 9.824 0.030 . 1 . . . . 87 ILE H . 10326 1 966 . 1 1 87 87 ILE HA H 1 4.796 0.030 . 1 . . . . 87 ILE HA . 10326 1 967 . 1 1 87 87 ILE HB H 1 1.860 0.030 . 1 . . . . 87 ILE HB . 10326 1 968 . 1 1 87 87 ILE HD11 H 1 0.837 0.030 . 1 . . . . 87 ILE HD1 . 10326 1 969 . 1 1 87 87 ILE HD12 H 1 0.837 0.030 . 1 . . . . 87 ILE HD1 . 10326 1 970 . 1 1 87 87 ILE HD13 H 1 0.837 0.030 . 1 . . . . 87 ILE HD1 . 10326 1 971 . 1 1 87 87 ILE HG12 H 1 1.354 0.030 . 2 . . . . 87 ILE HG12 . 10326 1 972 . 1 1 87 87 ILE HG13 H 1 1.187 0.030 . 2 . . . . 87 ILE HG13 . 10326 1 973 . 1 1 87 87 ILE HG21 H 1 0.813 0.030 . 1 . . . . 87 ILE HG2 . 10326 1 974 . 1 1 87 87 ILE HG22 H 1 0.813 0.030 . 1 . . . . 87 ILE HG2 . 10326 1 975 . 1 1 87 87 ILE HG23 H 1 0.813 0.030 . 1 . . . . 87 ILE HG2 . 10326 1 976 . 1 1 87 87 ILE C C 13 174.094 0.300 . 1 . . . . 87 ILE C . 10326 1 977 . 1 1 87 87 ILE CA C 13 60.034 0.300 . 1 . . . . 87 ILE CA . 10326 1 978 . 1 1 87 87 ILE CB C 13 38.776 0.300 . 1 . . . . 87 ILE CB . 10326 1 979 . 1 1 87 87 ILE CD1 C 13 14.996 0.300 . 1 . . . . 87 ILE CD1 . 10326 1 980 . 1 1 87 87 ILE CG1 C 13 27.580 0.300 . 1 . . . . 87 ILE CG1 . 10326 1 981 . 1 1 87 87 ILE CG2 C 13 20.551 0.300 . 1 . . . . 87 ILE CG2 . 10326 1 982 . 1 1 87 87 ILE N N 15 128.067 0.300 . 1 . . . . 87 ILE N . 10326 1 983 . 1 1 88 88 LYS H H 1 8.594 0.030 . 1 . . . . 88 LYS H . 10326 1 984 . 1 1 88 88 LYS HA H 1 5.028 0.030 . 1 . . . . 88 LYS HA . 10326 1 985 . 1 1 88 88 LYS HB2 H 1 0.952 0.030 . 2 . . . . 88 LYS HB2 . 10326 1 986 . 1 1 88 88 LYS HB3 H 1 1.409 0.030 . 2 . . . . 88 LYS HB3 . 10326 1 987 . 1 1 88 88 LYS HD2 H 1 1.156 0.030 . 2 . . . . 88 LYS HD2 . 10326 1 988 . 1 1 88 88 LYS HD3 H 1 0.898 0.030 . 2 . . . . 88 LYS HD3 . 10326 1 989 . 1 1 88 88 LYS HE2 H 1 1.856 0.030 . 2 . . . . 88 LYS HE2 . 10326 1 990 . 1 1 88 88 LYS HE3 H 1 2.176 0.030 . 2 . . . . 88 LYS HE3 . 10326 1 991 . 1 1 88 88 LYS HG2 H 1 0.241 0.030 . 2 . . . . 88 LYS HG2 . 10326 1 992 . 1 1 88 88 LYS HG3 H 1 0.817 0.030 . 2 . . . . 88 LYS HG3 . 10326 1 993 . 1 1 88 88 LYS C C 13 174.319 0.300 . 1 . . . . 88 LYS C . 10326 1 994 . 1 1 88 88 LYS CA C 13 54.228 0.300 . 1 . . . . 88 LYS CA . 10326 1 995 . 1 1 88 88 LYS CB C 13 37.462 0.300 . 1 . . . . 88 LYS CB . 10326 1 996 . 1 1 88 88 LYS CD C 13 29.327 0.300 . 1 . . . . 88 LYS CD . 10326 1 997 . 1 1 88 88 LYS CE C 13 41.415 0.300 . 1 . . . . 88 LYS CE . 10326 1 998 . 1 1 88 88 LYS CG C 13 25.221 0.300 . 1 . . . . 88 LYS CG . 10326 1 999 . 1 1 88 88 LYS N N 15 123.516 0.300 . 1 . . . . 88 LYS N . 10326 1 1000 . 1 1 89 89 LYS H H 1 8.752 0.030 . 1 . . . . 89 LYS H . 10326 1 1001 . 1 1 89 89 LYS HA H 1 4.698 0.030 . 1 . . . . 89 LYS HA . 10326 1 1002 . 1 1 89 89 LYS HB2 H 1 1.743 0.030 . 2 . . . . 89 LYS HB2 . 10326 1 1003 . 1 1 89 89 LYS HB3 H 1 1.340 0.030 . 2 . . . . 89 LYS HB3 . 10326 1 1004 . 1 1 89 89 LYS HD2 H 1 1.594 0.030 . 1 . . . . 89 LYS HD2 . 10326 1 1005 . 1 1 89 89 LYS HD3 H 1 1.594 0.030 . 1 . . . . 89 LYS HD3 . 10326 1 1006 . 1 1 89 89 LYS HE2 H 1 2.910 0.030 . 1 . . . . 89 LYS HE2 . 10326 1 1007 . 1 1 89 89 LYS HE3 H 1 2.910 0.030 . 1 . . . . 89 LYS HE3 . 10326 1 1008 . 1 1 89 89 LYS HG2 H 1 1.185 0.030 . 2 . . . . 89 LYS HG2 . 10326 1 1009 . 1 1 89 89 LYS HG3 H 1 1.362 0.030 . 2 . . . . 89 LYS HG3 . 10326 1 1010 . 1 1 89 89 LYS C C 13 176.877 0.300 . 1 . . . . 89 LYS C . 10326 1 1011 . 1 1 89 89 LYS CA C 13 55.194 0.300 . 1 . . . . 89 LYS CA . 10326 1 1012 . 1 1 89 89 LYS CB C 13 35.878 0.300 . 1 . . . . 89 LYS CB . 10326 1 1013 . 1 1 89 89 LYS CD C 13 29.765 0.300 . 1 . . . . 89 LYS CD . 10326 1 1014 . 1 1 89 89 LYS CE C 13 42.004 0.300 . 1 . . . . 89 LYS CE . 10326 1 1015 . 1 1 89 89 LYS CG C 13 24.897 0.300 . 1 . . . . 89 LYS CG . 10326 1 1016 . 1 1 89 89 LYS N N 15 120.517 0.300 . 1 . . . . 89 LYS N . 10326 1 1017 . 1 1 90 90 ASN HA H 1 4.334 0.030 . 1 . . . . 90 ASN HA . 10326 1 1018 . 1 1 90 90 ASN HB2 H 1 2.798 0.030 . 2 . . . . 90 ASN HB2 . 10326 1 1019 . 1 1 90 90 ASN HB3 H 1 3.068 0.030 . 2 . . . . 90 ASN HB3 . 10326 1 1020 . 1 1 90 90 ASN HD21 H 1 6.997 0.030 . 2 . . . . 90 ASN HD21 . 10326 1 1021 . 1 1 90 90 ASN HD22 H 1 7.713 0.030 . 2 . . . . 90 ASN HD22 . 10326 1 1022 . 1 1 90 90 ASN C C 13 174.903 0.300 . 1 . . . . 90 ASN C . 10326 1 1023 . 1 1 90 90 ASN CA C 13 54.566 0.300 . 1 . . . . 90 ASN CA . 10326 1 1024 . 1 1 90 90 ASN CB C 13 37.643 0.300 . 1 . . . . 90 ASN CB . 10326 1 1025 . 1 1 90 90 ASN ND2 N 15 113.093 0.300 . 1 . . . . 90 ASN ND2 . 10326 1 1026 . 1 1 91 91 GLY H H 1 8.580 0.030 . 1 . . . . 91 GLY H . 10326 1 1027 . 1 1 91 91 GLY HA2 H 1 3.413 0.030 . 2 . . . . 91 GLY HA2 . 10326 1 1028 . 1 1 91 91 GLY HA3 H 1 4.157 0.030 . 2 . . . . 91 GLY HA3 . 10326 1 1029 . 1 1 91 91 GLY C C 13 173.230 0.300 . 1 . . . . 91 GLY C . 10326 1 1030 . 1 1 91 91 GLY CA C 13 45.344 0.300 . 1 . . . . 91 GLY CA . 10326 1 1031 . 1 1 91 91 GLY N N 15 101.551 0.300 . 1 . . . . 91 GLY N . 10326 1 1032 . 1 1 92 92 ASN H H 1 7.650 0.030 . 1 . . . . 92 ASN H . 10326 1 1033 . 1 1 92 92 ASN HA H 1 5.146 0.030 . 1 . . . . 92 ASN HA . 10326 1 1034 . 1 1 92 92 ASN HB2 H 1 2.708 0.030 . 2 . . . . 92 ASN HB2 . 10326 1 1035 . 1 1 92 92 ASN HB3 H 1 2.805 0.030 . 2 . . . . 92 ASN HB3 . 10326 1 1036 . 1 1 92 92 ASN HD21 H 1 7.021 0.030 . 2 . . . . 92 ASN HD21 . 10326 1 1037 . 1 1 92 92 ASN HD22 H 1 7.558 0.030 . 2 . . . . 92 ASN HD22 . 10326 1 1038 . 1 1 92 92 ASN C C 13 174.929 0.300 . 1 . . . . 92 ASN C . 10326 1 1039 . 1 1 92 92 ASN CA C 13 51.338 0.300 . 1 . . . . 92 ASN CA . 10326 1 1040 . 1 1 92 92 ASN CB C 13 41.341 0.300 . 1 . . . . 92 ASN CB . 10326 1 1041 . 1 1 92 92 ASN N N 15 118.245 0.300 . 1 . . . . 92 ASN N . 10326 1 1042 . 1 1 92 92 ASN ND2 N 15 114.702 0.300 . 1 . . . . 92 ASN ND2 . 10326 1 1043 . 1 1 93 93 HIS H H 1 8.833 0.030 . 1 . . . . 93 HIS H . 10326 1 1044 . 1 1 93 93 HIS HA H 1 4.521 0.030 . 1 . . . . 93 HIS HA . 10326 1 1045 . 1 1 93 93 HIS HB2 H 1 2.931 0.030 . 2 . . . . 93 HIS HB2 . 10326 1 1046 . 1 1 93 93 HIS HB3 H 1 3.267 0.030 . 2 . . . . 93 HIS HB3 . 10326 1 1047 . 1 1 93 93 HIS HD2 H 1 7.217 0.030 . 1 . . . . 93 HIS HD2 . 10326 1 1048 . 1 1 93 93 HIS HE1 H 1 7.711 0.030 . 1 . . . . 93 HIS HE1 . 10326 1 1049 . 1 1 93 93 HIS C C 13 177.970 0.300 . 1 . . . . 93 HIS C . 10326 1 1050 . 1 1 93 93 HIS CA C 13 59.093 0.300 . 1 . . . . 93 HIS CA . 10326 1 1051 . 1 1 93 93 HIS CB C 13 32.450 0.300 . 1 . . . . 93 HIS CB . 10326 1 1052 . 1 1 93 93 HIS CD2 C 13 118.269 0.300 . 1 . . . . 93 HIS CD2 . 10326 1 1053 . 1 1 93 93 HIS CE1 C 13 137.477 0.300 . 1 . . . . 93 HIS CE1 . 10326 1 1054 . 1 1 93 93 HIS N N 15 122.828 0.300 . 1 . . . . 93 HIS N . 10326 1 1055 . 1 1 94 94 VAL H H 1 8.272 0.030 . 1 . . . . 94 VAL H . 10326 1 1056 . 1 1 94 94 VAL HA H 1 4.485 0.030 . 1 . . . . 94 VAL HA . 10326 1 1057 . 1 1 94 94 VAL HB H 1 2.559 0.030 . 1 . . . . 94 VAL HB . 10326 1 1058 . 1 1 94 94 VAL HG11 H 1 0.924 0.030 . 1 . . . . 94 VAL HG1 . 10326 1 1059 . 1 1 94 94 VAL HG12 H 1 0.924 0.030 . 1 . . . . 94 VAL HG1 . 10326 1 1060 . 1 1 94 94 VAL HG13 H 1 0.924 0.030 . 1 . . . . 94 VAL HG1 . 10326 1 1061 . 1 1 94 94 VAL HG21 H 1 0.924 0.030 . 1 . . . . 94 VAL HG2 . 10326 1 1062 . 1 1 94 94 VAL HG22 H 1 0.924 0.030 . 1 . . . . 94 VAL HG2 . 10326 1 1063 . 1 1 94 94 VAL HG23 H 1 0.924 0.030 . 1 . . . . 94 VAL HG2 . 10326 1 1064 . 1 1 94 94 VAL C C 13 175.724 0.300 . 1 . . . . 94 VAL C . 10326 1 1065 . 1 1 94 94 VAL CA C 13 60.306 0.300 . 1 . . . . 94 VAL CA . 10326 1 1066 . 1 1 94 94 VAL CB C 13 32.334 0.300 . 1 . . . . 94 VAL CB . 10326 1 1067 . 1 1 94 94 VAL CG1 C 13 22.733 0.300 . 2 . . . . 94 VAL CG1 . 10326 1 1068 . 1 1 94 94 VAL CG2 C 13 18.391 0.300 . 2 . . . . 94 VAL CG2 . 10326 1 1069 . 1 1 94 94 VAL N N 15 116.803 0.300 . 1 . . . . 94 VAL N . 10326 1 1070 . 1 1 95 95 ALA H H 1 8.534 0.030 . 1 . . . . 95 ALA H . 10326 1 1071 . 1 1 95 95 ALA HA H 1 4.113 0.030 . 1 . . . . 95 ALA HA . 10326 1 1072 . 1 1 95 95 ALA HB1 H 1 1.397 0.030 . 1 . . . . 95 ALA HB . 10326 1 1073 . 1 1 95 95 ALA HB2 H 1 1.397 0.030 . 1 . . . . 95 ALA HB . 10326 1 1074 . 1 1 95 95 ALA HB3 H 1 1.397 0.030 . 1 . . . . 95 ALA HB . 10326 1 1075 . 1 1 95 95 ALA C C 13 178.349 0.300 . 1 . . . . 95 ALA C . 10326 1 1076 . 1 1 95 95 ALA CA C 13 54.421 0.300 . 1 . . . . 95 ALA CA . 10326 1 1077 . 1 1 95 95 ALA CB C 13 17.821 0.300 . 1 . . . . 95 ALA CB . 10326 1 1078 . 1 1 95 95 ALA N N 15 123.113 0.300 . 1 . . . . 95 ALA N . 10326 1 1079 . 1 1 96 96 ASN H H 1 8.475 0.030 . 1 . . . . 96 ASN H . 10326 1 1080 . 1 1 96 96 ASN HA H 1 4.312 0.030 . 1 . . . . 96 ASN HA . 10326 1 1081 . 1 1 96 96 ASN HB2 H 1 2.999 0.030 . 2 . . . . 96 ASN HB2 . 10326 1 1082 . 1 1 96 96 ASN HB3 H 1 3.245 0.030 . 2 . . . . 96 ASN HB3 . 10326 1 1083 . 1 1 96 96 ASN HD21 H 1 6.859 0.030 . 2 . . . . 96 ASN HD21 . 10326 1 1084 . 1 1 96 96 ASN HD22 H 1 7.568 0.030 . 2 . . . . 96 ASN HD22 . 10326 1 1085 . 1 1 96 96 ASN C C 13 173.215 0.300 . 1 . . . . 96 ASN C . 10326 1 1086 . 1 1 96 96 ASN CA C 13 54.672 0.300 . 1 . . . . 96 ASN CA . 10326 1 1087 . 1 1 96 96 ASN CB C 13 37.214 0.300 . 1 . . . . 96 ASN CB . 10326 1 1088 . 1 1 96 96 ASN N N 15 112.777 0.300 . 1 . . . . 96 ASN N . 10326 1 1089 . 1 1 96 96 ASN ND2 N 15 112.503 0.300 . 1 . . . . 96 ASN ND2 . 10326 1 1090 . 1 1 97 97 SER H H 1 7.760 0.030 . 1 . . . . 97 SER H . 10326 1 1091 . 1 1 97 97 SER HA H 1 4.477 0.030 . 1 . . . . 97 SER HA . 10326 1 1092 . 1 1 97 97 SER HB2 H 1 3.724 0.030 . 2 . . . . 97 SER HB2 . 10326 1 1093 . 1 1 97 97 SER HB3 H 1 4.481 0.030 . 2 . . . . 97 SER HB3 . 10326 1 1094 . 1 1 97 97 SER C C 13 173.968 0.300 . 1 . . . . 97 SER C . 10326 1 1095 . 1 1 97 97 SER CA C 13 54.708 0.300 . 1 . . . . 97 SER CA . 10326 1 1096 . 1 1 97 97 SER CB C 13 63.376 0.300 . 1 . . . . 97 SER CB . 10326 1 1097 . 1 1 97 97 SER N N 15 111.599 0.300 . 1 . . . . 97 SER N . 10326 1 1098 . 1 1 98 98 PRO HA H 1 5.699 0.030 . 1 . . . . 98 PRO HA . 10326 1 1099 . 1 1 98 98 PRO HB2 H 1 2.158 0.030 . 2 . . . . 98 PRO HB2 . 10326 1 1100 . 1 1 98 98 PRO HB3 H 1 1.698 0.030 . 2 . . . . 98 PRO HB3 . 10326 1 1101 . 1 1 98 98 PRO HD2 H 1 3.341 0.030 . 2 . . . . 98 PRO HD2 . 10326 1 1102 . 1 1 98 98 PRO HD3 H 1 2.444 0.030 . 2 . . . . 98 PRO HD3 . 10326 1 1103 . 1 1 98 98 PRO HG2 H 1 1.788 0.030 . 1 . . . . 98 PRO HG2 . 10326 1 1104 . 1 1 98 98 PRO HG3 H 1 1.788 0.030 . 1 . . . . 98 PRO HG3 . 10326 1 1105 . 1 1 98 98 PRO C C 13 176.382 0.300 . 1 . . . . 98 PRO C . 10326 1 1106 . 1 1 98 98 PRO CA C 13 62.696 0.300 . 1 . . . . 98 PRO CA . 10326 1 1107 . 1 1 98 98 PRO CB C 13 34.671 0.300 . 1 . . . . 98 PRO CB . 10326 1 1108 . 1 1 98 98 PRO CD C 13 49.984 0.300 . 1 . . . . 98 PRO CD . 10326 1 1109 . 1 1 98 98 PRO CG C 13 24.420 0.300 . 1 . . . . 98 PRO CG . 10326 1 1110 . 1 1 99 99 VAL H H 1 9.274 0.030 . 1 . . . . 99 VAL H . 10326 1 1111 . 1 1 99 99 VAL HA H 1 4.356 0.030 . 1 . . . . 99 VAL HA . 10326 1 1112 . 1 1 99 99 VAL HB H 1 1.971 0.030 . 1 . . . . 99 VAL HB . 10326 1 1113 . 1 1 99 99 VAL HG11 H 1 0.946 0.030 . 1 . . . . 99 VAL HG1 . 10326 1 1114 . 1 1 99 99 VAL HG12 H 1 0.946 0.030 . 1 . . . . 99 VAL HG1 . 10326 1 1115 . 1 1 99 99 VAL HG13 H 1 0.946 0.030 . 1 . . . . 99 VAL HG1 . 10326 1 1116 . 1 1 99 99 VAL HG21 H 1 0.993 0.030 . 1 . . . . 99 VAL HG2 . 10326 1 1117 . 1 1 99 99 VAL HG22 H 1 0.993 0.030 . 1 . . . . 99 VAL HG2 . 10326 1 1118 . 1 1 99 99 VAL HG23 H 1 0.993 0.030 . 1 . . . . 99 VAL HG2 . 10326 1 1119 . 1 1 99 99 VAL C C 13 175.283 0.300 . 1 . . . . 99 VAL C . 10326 1 1120 . 1 1 99 99 VAL CA C 13 60.830 0.300 . 1 . . . . 99 VAL CA . 10326 1 1121 . 1 1 99 99 VAL CB C 13 34.844 0.300 . 1 . . . . 99 VAL CB . 10326 1 1122 . 1 1 99 99 VAL CG1 C 13 21.395 0.300 . 2 . . . . 99 VAL CG1 . 10326 1 1123 . 1 1 99 99 VAL CG2 C 13 21.292 0.300 . 2 . . . . 99 VAL CG2 . 10326 1 1124 . 1 1 99 99 VAL N N 15 121.689 0.300 . 1 . . . . 99 VAL N . 10326 1 1125 . 1 1 100 100 SER H H 1 8.705 0.030 . 1 . . . . 100 SER H . 10326 1 1126 . 1 1 100 100 SER HA H 1 5.183 0.030 . 1 . . . . 100 SER HA . 10326 1 1127 . 1 1 100 100 SER HB2 H 1 3.721 0.030 . 1 . . . . 100 SER HB2 . 10326 1 1128 . 1 1 100 100 SER HB3 H 1 3.721 0.030 . 1 . . . . 100 SER HB3 . 10326 1 1129 . 1 1 100 100 SER C C 13 174.298 0.300 . 1 . . . . 100 SER C . 10326 1 1130 . 1 1 100 100 SER CA C 13 58.028 0.300 . 1 . . . . 100 SER CA . 10326 1 1131 . 1 1 100 100 SER CB C 13 63.598 0.300 . 1 . . . . 100 SER CB . 10326 1 1132 . 1 1 100 100 SER N N 15 122.358 0.300 . 1 . . . . 100 SER N . 10326 1 1133 . 1 1 101 101 ILE H H 1 8.995 0.030 . 1 . . . . 101 ILE H . 10326 1 1134 . 1 1 101 101 ILE HA H 1 4.394 0.030 . 1 . . . . 101 ILE HA . 10326 1 1135 . 1 1 101 101 ILE HB H 1 1.421 0.030 . 1 . . . . 101 ILE HB . 10326 1 1136 . 1 1 101 101 ILE HD11 H 1 0.212 0.030 . 1 . . . . 101 ILE HD1 . 10326 1 1137 . 1 1 101 101 ILE HD12 H 1 0.212 0.030 . 1 . . . . 101 ILE HD1 . 10326 1 1138 . 1 1 101 101 ILE HD13 H 1 0.212 0.030 . 1 . . . . 101 ILE HD1 . 10326 1 1139 . 1 1 101 101 ILE HG12 H 1 1.169 0.030 . 2 . . . . 101 ILE HG12 . 10326 1 1140 . 1 1 101 101 ILE HG13 H 1 0.741 0.030 . 2 . . . . 101 ILE HG13 . 10326 1 1141 . 1 1 101 101 ILE HG21 H 1 0.478 0.030 . 1 . . . . 101 ILE HG2 . 10326 1 1142 . 1 1 101 101 ILE HG22 H 1 0.478 0.030 . 1 . . . . 101 ILE HG2 . 10326 1 1143 . 1 1 101 101 ILE HG23 H 1 0.478 0.030 . 1 . . . . 101 ILE HG2 . 10326 1 1144 . 1 1 101 101 ILE C C 13 174.623 0.300 . 1 . . . . 101 ILE C . 10326 1 1145 . 1 1 101 101 ILE CA C 13 59.848 0.300 . 1 . . . . 101 ILE CA . 10326 1 1146 . 1 1 101 101 ILE CB C 13 41.182 0.300 . 1 . . . . 101 ILE CB . 10326 1 1147 . 1 1 101 101 ILE CD1 C 13 13.095 0.300 . 1 . . . . 101 ILE CD1 . 10326 1 1148 . 1 1 101 101 ILE CG1 C 13 26.894 0.300 . 1 . . . . 101 ILE CG1 . 10326 1 1149 . 1 1 101 101 ILE CG2 C 13 17.162 0.300 . 1 . . . . 101 ILE CG2 . 10326 1 1150 . 1 1 101 101 ILE N N 15 124.548 0.300 . 1 . . . . 101 ILE N . 10326 1 1151 . 1 1 102 102 MET H H 1 8.828 0.030 . 1 . . . . 102 MET H . 10326 1 1152 . 1 1 102 102 MET HA H 1 4.909 0.030 . 1 . . . . 102 MET HA . 10326 1 1153 . 1 1 102 102 MET HB2 H 1 2.028 0.030 . 2 . . . . 102 MET HB2 . 10326 1 1154 . 1 1 102 102 MET HB3 H 1 2.081 0.030 . 2 . . . . 102 MET HB3 . 10326 1 1155 . 1 1 102 102 MET HE1 H 1 2.073 0.030 . 1 . . . . 102 MET HE . 10326 1 1156 . 1 1 102 102 MET HE2 H 1 2.073 0.030 . 1 . . . . 102 MET HE . 10326 1 1157 . 1 1 102 102 MET HE3 H 1 2.073 0.030 . 1 . . . . 102 MET HE . 10326 1 1158 . 1 1 102 102 MET HG2 H 1 2.335 0.030 . 2 . . . . 102 MET HG2 . 10326 1 1159 . 1 1 102 102 MET HG3 H 1 2.677 0.030 . 2 . . . . 102 MET HG3 . 10326 1 1160 . 1 1 102 102 MET C C 13 174.539 0.300 . 1 . . . . 102 MET C . 10326 1 1161 . 1 1 102 102 MET CA C 13 53.492 0.300 . 1 . . . . 102 MET CA . 10326 1 1162 . 1 1 102 102 MET CB C 13 31.743 0.300 . 1 . . . . 102 MET CB . 10326 1 1163 . 1 1 102 102 MET CE C 13 16.598 0.300 . 1 . . . . 102 MET CE . 10326 1 1164 . 1 1 102 102 MET CG C 13 32.174 0.300 . 1 . . . . 102 MET CG . 10326 1 1165 . 1 1 102 102 MET N N 15 126.650 0.300 . 1 . . . . 102 MET N . 10326 1 1166 . 1 1 103 103 VAL H H 1 8.109 0.030 . 1 . . . . 103 VAL H . 10326 1 1167 . 1 1 103 103 VAL HA H 1 4.615 0.030 . 1 . . . . 103 VAL HA . 10326 1 1168 . 1 1 103 103 VAL HB H 1 2.512 0.030 . 1 . . . . 103 VAL HB . 10326 1 1169 . 1 1 103 103 VAL HG11 H 1 0.856 0.030 . 1 . . . . 103 VAL HG1 . 10326 1 1170 . 1 1 103 103 VAL HG12 H 1 0.856 0.030 . 1 . . . . 103 VAL HG1 . 10326 1 1171 . 1 1 103 103 VAL HG13 H 1 0.856 0.030 . 1 . . . . 103 VAL HG1 . 10326 1 1172 . 1 1 103 103 VAL HG21 H 1 0.546 0.030 . 1 . . . . 103 VAL HG2 . 10326 1 1173 . 1 1 103 103 VAL HG22 H 1 0.546 0.030 . 1 . . . . 103 VAL HG2 . 10326 1 1174 . 1 1 103 103 VAL HG23 H 1 0.546 0.030 . 1 . . . . 103 VAL HG2 . 10326 1 1175 . 1 1 103 103 VAL C C 13 176.234 0.300 . 1 . . . . 103 VAL C . 10326 1 1176 . 1 1 103 103 VAL CA C 13 62.177 0.300 . 1 . . . . 103 VAL CA . 10326 1 1177 . 1 1 103 103 VAL CB C 13 32.169 0.300 . 1 . . . . 103 VAL CB . 10326 1 1178 . 1 1 103 103 VAL CG1 C 13 22.083 0.300 . 2 . . . . 103 VAL CG1 . 10326 1 1179 . 1 1 103 103 VAL CG2 C 13 21.722 0.300 . 2 . . . . 103 VAL CG2 . 10326 1 1180 . 1 1 103 103 VAL N N 15 128.231 0.300 . 1 . . . . 103 VAL N . 10326 1 1181 . 1 1 104 104 VAL H H 1 8.736 0.030 . 1 . . . . 104 VAL H . 10326 1 1182 . 1 1 104 104 VAL HA H 1 4.585 0.030 . 1 . . . . 104 VAL HA . 10326 1 1183 . 1 1 104 104 VAL HB H 1 2.162 0.030 . 1 . . . . 104 VAL HB . 10326 1 1184 . 1 1 104 104 VAL HG11 H 1 0.912 0.030 . 1 . . . . 104 VAL HG1 . 10326 1 1185 . 1 1 104 104 VAL HG12 H 1 0.912 0.030 . 1 . . . . 104 VAL HG1 . 10326 1 1186 . 1 1 104 104 VAL HG13 H 1 0.912 0.030 . 1 . . . . 104 VAL HG1 . 10326 1 1187 . 1 1 104 104 VAL HG21 H 1 0.815 0.030 . 1 . . . . 104 VAL HG2 . 10326 1 1188 . 1 1 104 104 VAL HG22 H 1 0.815 0.030 . 1 . . . . 104 VAL HG2 . 10326 1 1189 . 1 1 104 104 VAL HG23 H 1 0.815 0.030 . 1 . . . . 104 VAL HG2 . 10326 1 1190 . 1 1 104 104 VAL C C 13 174.804 0.300 . 1 . . . . 104 VAL C . 10326 1 1191 . 1 1 104 104 VAL CA C 13 59.812 0.300 . 1 . . . . 104 VAL CA . 10326 1 1192 . 1 1 104 104 VAL CB C 13 34.811 0.300 . 1 . . . . 104 VAL CB . 10326 1 1193 . 1 1 104 104 VAL CG1 C 13 21.517 0.300 . 2 . . . . 104 VAL CG1 . 10326 1 1194 . 1 1 104 104 VAL CG2 C 13 19.506 0.300 . 2 . . . . 104 VAL CG2 . 10326 1 1195 . 1 1 104 104 VAL N N 15 124.397 0.300 . 1 . . . . 104 VAL N . 10326 1 1196 . 1 1 105 105 GLN H H 1 8.603 0.030 . 1 . . . . 105 GLN H . 10326 1 1197 . 1 1 105 105 GLN HA H 1 4.444 0.030 . 1 . . . . 105 GLN HA . 10326 1 1198 . 1 1 105 105 GLN HB2 H 1 2.036 0.030 . 1 . . . . 105 GLN HB2 . 10326 1 1199 . 1 1 105 105 GLN HB3 H 1 2.036 0.030 . 1 . . . . 105 GLN HB3 . 10326 1 1200 . 1 1 105 105 GLN HE21 H 1 7.629 0.030 . 2 . . . . 105 GLN HE21 . 10326 1 1201 . 1 1 105 105 GLN HE22 H 1 6.902 0.030 . 2 . . . . 105 GLN HE22 . 10326 1 1202 . 1 1 105 105 GLN HG2 H 1 2.371 0.030 . 1 . . . . 105 GLN HG2 . 10326 1 1203 . 1 1 105 105 GLN HG3 H 1 2.371 0.030 . 1 . . . . 105 GLN HG3 . 10326 1 1204 . 1 1 105 105 GLN C C 13 175.873 0.300 . 1 . . . . 105 GLN C . 10326 1 1205 . 1 1 105 105 GLN CA C 13 56.148 0.300 . 1 . . . . 105 GLN CA . 10326 1 1206 . 1 1 105 105 GLN CB C 13 29.930 0.300 . 1 . . . . 105 GLN CB . 10326 1 1207 . 1 1 105 105 GLN CG C 13 33.929 0.300 . 1 . . . . 105 GLN CG . 10326 1 1208 . 1 1 105 105 GLN N N 15 122.070 0.300 . 1 . . . . 105 GLN N . 10326 1 1209 . 1 1 105 105 GLN NE2 N 15 112.044 0.300 . 1 . . . . 105 GLN NE2 . 10326 1 1210 . 1 1 106 106 SER H H 1 8.424 0.030 . 1 . . . . 106 SER H . 10326 1 1211 . 1 1 106 106 SER HA H 1 4.389 0.030 . 1 . . . . 106 SER HA . 10326 1 1212 . 1 1 106 106 SER HB2 H 1 3.785 0.030 . 2 . . . . 106 SER HB2 . 10326 1 1213 . 1 1 106 106 SER HB3 H 1 4.368 0.030 . 2 . . . . 106 SER HB3 . 10326 1 1214 . 1 1 106 106 SER C C 13 174.378 0.300 . 1 . . . . 106 SER C . 10326 1 1215 . 1 1 106 106 SER CA C 13 58.466 0.300 . 1 . . . . 106 SER CA . 10326 1 1216 . 1 1 106 106 SER CB C 13 63.923 0.300 . 1 . . . . 106 SER CB . 10326 1 1217 . 1 1 106 106 SER N N 15 117.885 0.300 . 1 . . . . 106 SER N . 10326 1 1218 . 1 1 107 107 GLU H H 1 8.581 0.030 . 1 . . . . 107 GLU H . 10326 1 1219 . 1 1 107 107 GLU HA H 1 4.351 0.030 . 1 . . . . 107 GLU HA . 10326 1 1220 . 1 1 107 107 GLU HB2 H 1 1.928 0.030 . 2 . . . . 107 GLU HB2 . 10326 1 1221 . 1 1 107 107 GLU HB3 H 1 2.063 0.030 . 2 . . . . 107 GLU HB3 . 10326 1 1222 . 1 1 107 107 GLU HG2 H 1 2.248 0.030 . 1 . . . . 107 GLU HG2 . 10326 1 1223 . 1 1 107 107 GLU HG3 H 1 2.248 0.030 . 1 . . . . 107 GLU HG3 . 10326 1 1224 . 1 1 107 107 GLU C C 13 176.441 0.300 . 1 . . . . 107 GLU C . 10326 1 1225 . 1 1 107 107 GLU CA C 13 56.422 0.300 . 1 . . . . 107 GLU CA . 10326 1 1226 . 1 1 107 107 GLU CB C 13 30.257 0.300 . 1 . . . . 107 GLU CB . 10326 1 1227 . 1 1 107 107 GLU CG C 13 36.284 0.300 . 1 . . . . 107 GLU CG . 10326 1 1228 . 1 1 107 107 GLU N N 15 122.921 0.300 . 1 . . . . 107 GLU N . 10326 1 1229 . 1 1 108 108 ILE H H 1 8.193 0.030 . 1 . . . . 108 ILE H . 10326 1 1230 . 1 1 108 108 ILE HA H 1 4.132 0.030 . 1 . . . . 108 ILE HA . 10326 1 1231 . 1 1 108 108 ILE HB H 1 1.859 0.030 . 1 . . . . 108 ILE HB . 10326 1 1232 . 1 1 108 108 ILE HD11 H 1 0.832 0.030 . 1 . . . . 108 ILE HD1 . 10326 1 1233 . 1 1 108 108 ILE HD12 H 1 0.832 0.030 . 1 . . . . 108 ILE HD1 . 10326 1 1234 . 1 1 108 108 ILE HD13 H 1 0.832 0.030 . 1 . . . . 108 ILE HD1 . 10326 1 1235 . 1 1 108 108 ILE HG12 H 1 1.457 0.030 . 2 . . . . 108 ILE HG12 . 10326 1 1236 . 1 1 108 108 ILE HG13 H 1 1.165 0.030 . 2 . . . . 108 ILE HG13 . 10326 1 1237 . 1 1 108 108 ILE HG21 H 1 0.902 0.030 . 1 . . . . 108 ILE HG2 . 10326 1 1238 . 1 1 108 108 ILE HG22 H 1 0.902 0.030 . 1 . . . . 108 ILE HG2 . 10326 1 1239 . 1 1 108 108 ILE HG23 H 1 0.902 0.030 . 1 . . . . 108 ILE HG2 . 10326 1 1240 . 1 1 108 108 ILE C C 13 176.775 0.300 . 1 . . . . 108 ILE C . 10326 1 1241 . 1 1 108 108 ILE CA C 13 61.450 0.300 . 1 . . . . 108 ILE CA . 10326 1 1242 . 1 1 108 108 ILE CB C 13 38.501 0.300 . 1 . . . . 108 ILE CB . 10326 1 1243 . 1 1 108 108 ILE CD1 C 13 12.973 0.300 . 1 . . . . 108 ILE CD1 . 10326 1 1244 . 1 1 108 108 ILE CG1 C 13 27.306 0.300 . 1 . . . . 108 ILE CG1 . 10326 1 1245 . 1 1 108 108 ILE CG2 C 13 17.503 0.300 . 1 . . . . 108 ILE CG2 . 10326 1 1246 . 1 1 108 108 ILE N N 15 121.484 0.300 . 1 . . . . 108 ILE N . 10326 1 1247 . 1 1 109 109 GLY H H 1 8.430 0.030 . 1 . . . . 109 GLY H . 10326 1 1248 . 1 1 109 109 GLY HA2 H 1 3.946 0.030 . 1 . . . . 109 GLY HA2 . 10326 1 1249 . 1 1 109 109 GLY HA3 H 1 3.946 0.030 . 1 . . . . 109 GLY HA3 . 10326 1 1250 . 1 1 109 109 GLY C C 13 173.828 0.300 . 1 . . . . 109 GLY C . 10326 1 1251 . 1 1 109 109 GLY CA C 13 45.170 0.300 . 1 . . . . 109 GLY CA . 10326 1 1252 . 1 1 109 109 GLY N N 15 112.741 0.300 . 1 . . . . 109 GLY N . 10326 1 1253 . 1 1 110 110 ASP H H 1 8.245 0.030 . 1 . . . . 110 ASP H . 10326 1 1254 . 1 1 110 110 ASP HA H 1 4.637 0.030 . 1 . . . . 110 ASP HA . 10326 1 1255 . 1 1 110 110 ASP HB2 H 1 2.652 0.030 . 2 . . . . 110 ASP HB2 . 10326 1 1256 . 1 1 110 110 ASP HB3 H 1 2.711 0.030 . 2 . . . . 110 ASP HB3 . 10326 1 1257 . 1 1 110 110 ASP C C 13 176.460 0.300 . 1 . . . . 110 ASP C . 10326 1 1258 . 1 1 110 110 ASP CA C 13 54.345 0.300 . 1 . . . . 110 ASP CA . 10326 1 1259 . 1 1 110 110 ASP CB C 13 41.497 0.300 . 1 . . . . 110 ASP CB . 10326 1 1260 . 1 1 110 110 ASP N N 15 120.851 0.300 . 1 . . . . 110 ASP N . 10326 1 1261 . 1 1 111 111 SER H H 1 8.365 0.030 . 1 . . . . 111 SER H . 10326 1 1262 . 1 1 111 111 SER HA H 1 4.469 0.030 . 1 . . . . 111 SER HA . 10326 1 1263 . 1 1 111 111 SER HB2 H 1 3.877 0.030 . 1 . . . . 111 SER HB2 . 10326 1 1264 . 1 1 111 111 SER HB3 H 1 3.877 0.030 . 1 . . . . 111 SER HB3 . 10326 1 1265 . 1 1 111 111 SER C C 13 174.727 0.300 . 1 . . . . 111 SER C . 10326 1 1266 . 1 1 111 111 SER CA C 13 58.446 0.300 . 1 . . . . 111 SER CA . 10326 1 1267 . 1 1 111 111 SER CB C 13 63.799 0.300 . 1 . . . . 111 SER CB . 10326 1 1268 . 1 1 111 111 SER N N 15 116.340 0.300 . 1 . . . . 111 SER N . 10326 1 1269 . 1 1 112 112 GLY H H 1 8.310 0.030 . 1 . . . . 112 GLY H . 10326 1 1270 . 1 1 112 112 GLY HA2 H 1 4.113 0.030 . 1 . . . . 112 GLY HA2 . 10326 1 1271 . 1 1 112 112 GLY HA3 H 1 4.113 0.030 . 1 . . . . 112 GLY HA3 . 10326 1 1272 . 1 1 112 112 GLY C C 13 171.880 0.300 . 1 . . . . 112 GLY C . 10326 1 1273 . 1 1 112 112 GLY CA C 13 44.743 0.300 . 1 . . . . 112 GLY CA . 10326 1 1274 . 1 1 112 112 GLY N N 15 110.743 0.300 . 1 . . . . 112 GLY N . 10326 1 1275 . 1 1 113 113 PRO HA H 1 4.482 0.030 . 1 . . . . 113 PRO HA . 10326 1 1276 . 1 1 113 113 PRO HB2 H 1 1.974 0.030 . 2 . . . . 113 PRO HB2 . 10326 1 1277 . 1 1 113 113 PRO HB3 H 1 2.296 0.030 . 2 . . . . 113 PRO HB3 . 10326 1 1278 . 1 1 113 113 PRO HD2 H 1 3.632 0.030 . 1 . . . . 113 PRO HD2 . 10326 1 1279 . 1 1 113 113 PRO HD3 H 1 3.632 0.030 . 1 . . . . 113 PRO HD3 . 10326 1 1280 . 1 1 113 113 PRO HG2 H 1 2.020 0.030 . 1 . . . . 113 PRO HG2 . 10326 1 1281 . 1 1 113 113 PRO HG3 H 1 2.020 0.030 . 1 . . . . 113 PRO HG3 . 10326 1 1282 . 1 1 113 113 PRO C C 13 177.405 0.300 . 1 . . . . 113 PRO C . 10326 1 1283 . 1 1 113 113 PRO CA C 13 63.252 0.300 . 1 . . . . 113 PRO CA . 10326 1 1284 . 1 1 113 113 PRO CB C 13 32.122 0.300 . 1 . . . . 113 PRO CB . 10326 1 1285 . 1 1 113 113 PRO CD C 13 49.820 0.300 . 1 . . . . 113 PRO CD . 10326 1 1286 . 1 1 113 113 PRO CG C 13 27.187 0.300 . 1 . . . . 113 PRO CG . 10326 1 1287 . 1 1 114 114 SER H H 1 8.528 0.030 . 1 . . . . 114 SER H . 10326 1 1288 . 1 1 114 114 SER C C 13 174.701 0.300 . 1 . . . . 114 SER C . 10326 1 1289 . 1 1 114 114 SER CA C 13 58.358 0.300 . 1 . . . . 114 SER CA . 10326 1 1290 . 1 1 114 114 SER CB C 13 63.964 0.300 . 1 . . . . 114 SER CB . 10326 1 1291 . 1 1 114 114 SER N N 15 116.482 0.300 . 1 . . . . 114 SER N . 10326 1 1292 . 1 1 115 115 SER HA H 1 4.472 0.030 . 1 . . . . 115 SER HA . 10326 1 1293 . 1 1 115 115 SER HB2 H 1 3.868 0.030 . 1 . . . . 115 SER HB2 . 10326 1 1294 . 1 1 115 115 SER HB3 H 1 3.868 0.030 . 1 . . . . 115 SER HB3 . 10326 1 1295 . 1 1 115 115 SER C C 13 173.958 0.300 . 1 . . . . 115 SER C . 10326 1 1296 . 1 1 115 115 SER CA C 13 58.378 0.300 . 1 . . . . 115 SER CA . 10326 1 1297 . 1 1 115 115 SER CB C 13 64.060 0.300 . 1 . . . . 115 SER CB . 10326 1 1298 . 1 1 116 116 GLY H H 1 8.053 0.030 . 1 . . . . 116 GLY H . 10326 1 1299 . 1 1 116 116 GLY HA2 H 1 3.799 0.030 . 2 . . . . 116 GLY HA2 . 10326 1 1300 . 1 1 116 116 GLY HA3 H 1 3.756 0.030 . 2 . . . . 116 GLY HA3 . 10326 1 1301 . 1 1 116 116 GLY C C 13 179.011 0.300 . 1 . . . . 116 GLY C . 10326 1 1302 . 1 1 116 116 GLY CA C 13 46.242 0.300 . 1 . . . . 116 GLY CA . 10326 1 1303 . 1 1 116 116 GLY N N 15 116.892 0.300 . 1 . . . . 116 GLY N . 10326 1 stop_ save_