data_10313 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10313 _Entry.Title ; Solution structure of the PH domain of PIP2-dependent ARF1 GTPase-activating protein from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-11 _Entry.Accession_date 2009-03-11 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _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 H. Li . . . 10313 2 T. Tomizawa . . . 10313 3 S. Koshiba . . . 10313 4 M. Inoue . . . 10313 5 T. Kigawa . . . 10313 6 S. Yokoyama . . . 10313 7 Structural RIKEN . . . 10313 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' 10313 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10313 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 10313 '15N chemical shifts' 111 10313 '1H chemical shifts' 749 10313 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 . . 2010-03-11 2009-03-11 original author . 10313 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DA0 'BMRB Entry Tracking System' 10313 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10313 _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 PH domain of PIP2-dependent ARF1 GTPase-activating protein from human ; _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 H. Li . . . 10313 1 2 T. Tomizawa . . . 10313 1 3 S. Koshiba . . . 10313 1 4 M. Inoue . . . 10313 1 5 T. Kigawa . . . 10313 1 6 S. Yokoyama . . . 10313 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10313 _Assembly.ID 1 _Assembly.Name '130-kDa phosphatidylinositol 4,5-biphosphate-dependent ARF1 GTPase-activating protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity_1 . . yes native no no . . . 10313 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 2DA0 . . . . . . 10313 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10313 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGYGSEKKGYLLKKS DGIRKVWQRRKCSVKNGILT ISHATSNRQPAKLNLLTCQV KPNAEDKKSFDLISHNRTYH FQAEDEQDYVAWISVLTNSK EEALTMAFSGPSSG ; _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 114 _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 2DA0 . "Solution Structure Of The Ph Domain Of Pip2-Dependent Arf1 Gtpase-Activating Protein From Human" . . . . . 100.00 114 100.00 100.00 2.64e-78 . . . . 10313 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10313 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 . 10313 1 2 . SER . 10313 1 3 . SER . 10313 1 4 . GLY . 10313 1 5 . SER . 10313 1 6 . SER . 10313 1 7 . GLY . 10313 1 8 . TYR . 10313 1 9 . GLY . 10313 1 10 . SER . 10313 1 11 . GLU . 10313 1 12 . LYS . 10313 1 13 . LYS . 10313 1 14 . GLY . 10313 1 15 . TYR . 10313 1 16 . LEU . 10313 1 17 . LEU . 10313 1 18 . LYS . 10313 1 19 . LYS . 10313 1 20 . SER . 10313 1 21 . ASP . 10313 1 22 . GLY . 10313 1 23 . ILE . 10313 1 24 . ARG . 10313 1 25 . LYS . 10313 1 26 . VAL . 10313 1 27 . TRP . 10313 1 28 . GLN . 10313 1 29 . ARG . 10313 1 30 . ARG . 10313 1 31 . LYS . 10313 1 32 . CYS . 10313 1 33 . SER . 10313 1 34 . VAL . 10313 1 35 . LYS . 10313 1 36 . ASN . 10313 1 37 . GLY . 10313 1 38 . ILE . 10313 1 39 . LEU . 10313 1 40 . THR . 10313 1 41 . ILE . 10313 1 42 . SER . 10313 1 43 . HIS . 10313 1 44 . ALA . 10313 1 45 . THR . 10313 1 46 . SER . 10313 1 47 . ASN . 10313 1 48 . ARG . 10313 1 49 . GLN . 10313 1 50 . PRO . 10313 1 51 . ALA . 10313 1 52 . LYS . 10313 1 53 . LEU . 10313 1 54 . ASN . 10313 1 55 . LEU . 10313 1 56 . LEU . 10313 1 57 . THR . 10313 1 58 . CYS . 10313 1 59 . GLN . 10313 1 60 . VAL . 10313 1 61 . LYS . 10313 1 62 . PRO . 10313 1 63 . ASN . 10313 1 64 . ALA . 10313 1 65 . GLU . 10313 1 66 . ASP . 10313 1 67 . LYS . 10313 1 68 . LYS . 10313 1 69 . SER . 10313 1 70 . PHE . 10313 1 71 . ASP . 10313 1 72 . LEU . 10313 1 73 . ILE . 10313 1 74 . SER . 10313 1 75 . HIS . 10313 1 76 . ASN . 10313 1 77 . ARG . 10313 1 78 . THR . 10313 1 79 . TYR . 10313 1 80 . HIS . 10313 1 81 . PHE . 10313 1 82 . GLN . 10313 1 83 . ALA . 10313 1 84 . GLU . 10313 1 85 . ASP . 10313 1 86 . GLU . 10313 1 87 . GLN . 10313 1 88 . ASP . 10313 1 89 . TYR . 10313 1 90 . VAL . 10313 1 91 . ALA . 10313 1 92 . TRP . 10313 1 93 . ILE . 10313 1 94 . SER . 10313 1 95 . VAL . 10313 1 96 . LEU . 10313 1 97 . THR . 10313 1 98 . ASN . 10313 1 99 . SER . 10313 1 100 . LYS . 10313 1 101 . GLU . 10313 1 102 . GLU . 10313 1 103 . ALA . 10313 1 104 . LEU . 10313 1 105 . THR . 10313 1 106 . MET . 10313 1 107 . ALA . 10313 1 108 . PHE . 10313 1 109 . SER . 10313 1 110 . GLY . 10313 1 111 . PRO . 10313 1 112 . SER . 10313 1 113 . SER . 10313 1 114 . GLY . 10313 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 10313 1 . SER 2 2 10313 1 . SER 3 3 10313 1 . GLY 4 4 10313 1 . SER 5 5 10313 1 . SER 6 6 10313 1 . GLY 7 7 10313 1 . TYR 8 8 10313 1 . GLY 9 9 10313 1 . SER 10 10 10313 1 . GLU 11 11 10313 1 . LYS 12 12 10313 1 . LYS 13 13 10313 1 . GLY 14 14 10313 1 . TYR 15 15 10313 1 . LEU 16 16 10313 1 . LEU 17 17 10313 1 . LYS 18 18 10313 1 . LYS 19 19 10313 1 . SER 20 20 10313 1 . ASP 21 21 10313 1 . GLY 22 22 10313 1 . ILE 23 23 10313 1 . ARG 24 24 10313 1 . LYS 25 25 10313 1 . VAL 26 26 10313 1 . TRP 27 27 10313 1 . GLN 28 28 10313 1 . ARG 29 29 10313 1 . ARG 30 30 10313 1 . LYS 31 31 10313 1 . CYS 32 32 10313 1 . SER 33 33 10313 1 . VAL 34 34 10313 1 . LYS 35 35 10313 1 . ASN 36 36 10313 1 . GLY 37 37 10313 1 . ILE 38 38 10313 1 . LEU 39 39 10313 1 . THR 40 40 10313 1 . ILE 41 41 10313 1 . SER 42 42 10313 1 . HIS 43 43 10313 1 . ALA 44 44 10313 1 . THR 45 45 10313 1 . SER 46 46 10313 1 . ASN 47 47 10313 1 . ARG 48 48 10313 1 . GLN 49 49 10313 1 . PRO 50 50 10313 1 . ALA 51 51 10313 1 . LYS 52 52 10313 1 . LEU 53 53 10313 1 . ASN 54 54 10313 1 . LEU 55 55 10313 1 . LEU 56 56 10313 1 . THR 57 57 10313 1 . CYS 58 58 10313 1 . GLN 59 59 10313 1 . VAL 60 60 10313 1 . LYS 61 61 10313 1 . PRO 62 62 10313 1 . ASN 63 63 10313 1 . ALA 64 64 10313 1 . GLU 65 65 10313 1 . ASP 66 66 10313 1 . LYS 67 67 10313 1 . LYS 68 68 10313 1 . SER 69 69 10313 1 . PHE 70 70 10313 1 . ASP 71 71 10313 1 . LEU 72 72 10313 1 . ILE 73 73 10313 1 . SER 74 74 10313 1 . HIS 75 75 10313 1 . ASN 76 76 10313 1 . ARG 77 77 10313 1 . THR 78 78 10313 1 . TYR 79 79 10313 1 . HIS 80 80 10313 1 . PHE 81 81 10313 1 . GLN 82 82 10313 1 . ALA 83 83 10313 1 . GLU 84 84 10313 1 . ASP 85 85 10313 1 . GLU 86 86 10313 1 . GLN 87 87 10313 1 . ASP 88 88 10313 1 . TYR 89 89 10313 1 . VAL 90 90 10313 1 . ALA 91 91 10313 1 . TRP 92 92 10313 1 . ILE 93 93 10313 1 . SER 94 94 10313 1 . VAL 95 95 10313 1 . LEU 96 96 10313 1 . THR 97 97 10313 1 . ASN 98 98 10313 1 . SER 99 99 10313 1 . LYS 100 100 10313 1 . GLU 101 101 10313 1 . GLU 102 102 10313 1 . ALA 103 103 10313 1 . LEU 104 104 10313 1 . THR 105 105 10313 1 . MET 106 106 10313 1 . ALA 107 107 10313 1 . PHE 108 108 10313 1 . SER 109 109 10313 1 . GLY 110 110 10313 1 . PRO 111 111 10313 1 . SER 112 112 10313 1 . SER 113 113 10313 1 . GLY 114 114 10313 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 10313 _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 . . . . . . . . . . . . . . . . . . . . . 10313 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 10313 _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' . . . . . . . . . . . . . . . . . . . pladmid . . P050801-06 . . . . . . 10313 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10313 _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 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.18 . . mM . . . . 10313 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10313 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10313 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10313 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10313 1 6 H2O . . . . . . solvent 90 . . % . . . . 10313 1 7 D2O . . . . . . solvent 10 . . % . . . . 10313 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 10313 _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 10313 1 pH 7.0 0.05 pH 10313 1 pressure 1 0.001 atm 10313 1 temperature 296 0.1 K 10313 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10313 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10313 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10313 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10313 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10313 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10313 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10313 _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.' . . 10313 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10313 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10313 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10313 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10313 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10313 _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.' . . 10313 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10313 5 'structure solution' 10313 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 10313 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ 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 10313 _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 . 800 . . . 10313 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 10313 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10313 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10313 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 10313 _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 . . . . . . . . . 10313 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10313 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10313 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 10313 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10313 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10313 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.390 0.030 . 1 . . . . 6 SER HA . 10313 1 2 . 1 1 6 6 SER HB2 H 1 3.802 0.030 . 2 . . . . 6 SER HB2 . 10313 1 3 . 1 1 6 6 SER HB3 H 1 3.872 0.030 . 2 . . . . 6 SER HB3 . 10313 1 4 . 1 1 6 6 SER C C 13 175.117 0.300 . 1 . . . . 6 SER C . 10313 1 5 . 1 1 6 6 SER CA C 13 58.995 0.300 . 1 . . . . 6 SER CA . 10313 1 6 . 1 1 6 6 SER CB C 13 63.715 0.300 . 1 . . . . 6 SER CB . 10313 1 7 . 1 1 7 7 GLY H H 1 8.260 0.030 . 1 . . . . 7 GLY H . 10313 1 8 . 1 1 7 7 GLY HA2 H 1 3.822 0.030 . 2 . . . . 7 GLY HA2 . 10313 1 9 . 1 1 7 7 GLY HA3 H 1 3.792 0.030 . 2 . . . . 7 GLY HA3 . 10313 1 10 . 1 1 7 7 GLY C C 13 174.085 0.300 . 1 . . . . 7 GLY C . 10313 1 11 . 1 1 7 7 GLY CA C 13 45.368 0.300 . 1 . . . . 7 GLY CA . 10313 1 12 . 1 1 7 7 GLY N N 15 110.173 0.300 . 1 . . . . 7 GLY N . 10313 1 13 . 1 1 8 8 TYR H H 1 7.996 0.030 . 1 . . . . 8 TYR H . 10313 1 14 . 1 1 8 8 TYR HA H 1 4.342 0.030 . 1 . . . . 8 TYR HA . 10313 1 15 . 1 1 8 8 TYR HB2 H 1 3.040 0.030 . 2 . . . . 8 TYR HB2 . 10313 1 16 . 1 1 8 8 TYR HB3 H 1 2.603 0.030 . 2 . . . . 8 TYR HB3 . 10313 1 17 . 1 1 8 8 TYR HD1 H 1 7.105 0.030 . 1 . . . . 8 TYR HD1 . 10313 1 18 . 1 1 8 8 TYR HD2 H 1 7.105 0.030 . 1 . . . . 8 TYR HD2 . 10313 1 19 . 1 1 8 8 TYR HE1 H 1 6.744 0.030 . 1 . . . . 8 TYR HE1 . 10313 1 20 . 1 1 8 8 TYR HE2 H 1 6.744 0.030 . 1 . . . . 8 TYR HE2 . 10313 1 21 . 1 1 8 8 TYR C C 13 176.296 0.300 . 1 . . . . 8 TYR C . 10313 1 22 . 1 1 8 8 TYR CA C 13 59.153 0.300 . 1 . . . . 8 TYR CA . 10313 1 23 . 1 1 8 8 TYR CB C 13 39.538 0.300 . 1 . . . . 8 TYR CB . 10313 1 24 . 1 1 8 8 TYR CD1 C 13 133.232 0.300 . 1 . . . . 8 TYR CD1 . 10313 1 25 . 1 1 8 8 TYR CD2 C 13 133.232 0.300 . 1 . . . . 8 TYR CD2 . 10313 1 26 . 1 1 8 8 TYR CE1 C 13 118.084 0.300 . 1 . . . . 8 TYR CE1 . 10313 1 27 . 1 1 8 8 TYR CE2 C 13 118.084 0.300 . 1 . . . . 8 TYR CE2 . 10313 1 28 . 1 1 8 8 TYR N N 15 118.435 0.300 . 1 . . . . 8 TYR N . 10313 1 29 . 1 1 9 9 GLY H H 1 8.247 0.030 . 1 . . . . 9 GLY H . 10313 1 30 . 1 1 9 9 GLY HA2 H 1 3.991 0.030 . 1 . . . . 9 GLY HA2 . 10313 1 31 . 1 1 9 9 GLY HA3 H 1 3.991 0.030 . 1 . . . . 9 GLY HA3 . 10313 1 32 . 1 1 9 9 GLY C C 13 173.550 0.300 . 1 . . . . 9 GLY C . 10313 1 33 . 1 1 9 9 GLY CA C 13 45.200 0.300 . 1 . . . . 9 GLY CA . 10313 1 34 . 1 1 9 9 GLY N N 15 107.981 0.300 . 1 . . . . 9 GLY N . 10313 1 35 . 1 1 10 10 SER H H 1 8.713 0.030 . 1 . . . . 10 SER H . 10313 1 36 . 1 1 10 10 SER HA H 1 4.633 0.030 . 1 . . . . 10 SER HA . 10313 1 37 . 1 1 10 10 SER HB2 H 1 3.892 0.030 . 2 . . . . 10 SER HB2 . 10313 1 38 . 1 1 10 10 SER HB3 H 1 3.559 0.030 . 2 . . . . 10 SER HB3 . 10313 1 39 . 1 1 10 10 SER C C 13 173.022 0.300 . 1 . . . . 10 SER C . 10313 1 40 . 1 1 10 10 SER CA C 13 57.731 0.300 . 1 . . . . 10 SER CA . 10313 1 41 . 1 1 10 10 SER CB C 13 63.777 0.300 . 1 . . . . 10 SER CB . 10313 1 42 . 1 1 10 10 SER N N 15 113.548 0.300 . 1 . . . . 10 SER N . 10313 1 43 . 1 1 11 11 GLU H H 1 7.736 0.030 . 1 . . . . 11 GLU H . 10313 1 44 . 1 1 11 11 GLU HA H 1 4.900 0.030 . 1 . . . . 11 GLU HA . 10313 1 45 . 1 1 11 11 GLU HB2 H 1 1.989 0.030 . 2 . . . . 11 GLU HB2 . 10313 1 46 . 1 1 11 11 GLU HB3 H 1 1.922 0.030 . 2 . . . . 11 GLU HB3 . 10313 1 47 . 1 1 11 11 GLU HG2 H 1 2.278 0.030 . 2 . . . . 11 GLU HG2 . 10313 1 48 . 1 1 11 11 GLU HG3 H 1 2.214 0.030 . 2 . . . . 11 GLU HG3 . 10313 1 49 . 1 1 11 11 GLU C C 13 174.730 0.300 . 1 . . . . 11 GLU C . 10313 1 50 . 1 1 11 11 GLU CA C 13 54.518 0.300 . 1 . . . . 11 GLU CA . 10313 1 51 . 1 1 11 11 GLU CB C 13 33.538 0.300 . 1 . . . . 11 GLU CB . 10313 1 52 . 1 1 11 11 GLU CG C 13 36.127 0.300 . 1 . . . . 11 GLU CG . 10313 1 53 . 1 1 11 11 GLU N N 15 120.003 0.300 . 1 . . . . 11 GLU N . 10313 1 54 . 1 1 12 12 LYS H H 1 7.840 0.030 . 1 . . . . 12 LYS H . 10313 1 55 . 1 1 12 12 LYS HA H 1 4.215 0.030 . 1 . . . . 12 LYS HA . 10313 1 56 . 1 1 12 12 LYS HB2 H 1 1.518 0.030 . 2 . . . . 12 LYS HB2 . 10313 1 57 . 1 1 12 12 LYS HB3 H 1 0.720 0.030 . 2 . . . . 12 LYS HB3 . 10313 1 58 . 1 1 12 12 LYS HD2 H 1 -0.672 0.030 . 2 . . . . 12 LYS HD2 . 10313 1 59 . 1 1 12 12 LYS HD3 H 1 0.671 0.030 . 2 . . . . 12 LYS HD3 . 10313 1 60 . 1 1 12 12 LYS HE2 H 1 1.662 0.030 . 2 . . . . 12 LYS HE2 . 10313 1 61 . 1 1 12 12 LYS HE3 H 1 1.496 0.030 . 2 . . . . 12 LYS HE3 . 10313 1 62 . 1 1 12 12 LYS HG2 H 1 -0.048 0.030 . 2 . . . . 12 LYS HG2 . 10313 1 63 . 1 1 12 12 LYS HG3 H 1 0.992 0.030 . 2 . . . . 12 LYS HG3 . 10313 1 64 . 1 1 12 12 LYS C C 13 172.678 0.300 . 1 . . . . 12 LYS C . 10313 1 65 . 1 1 12 12 LYS CA C 13 56.818 0.300 . 1 . . . . 12 LYS CA . 10313 1 66 . 1 1 12 12 LYS CB C 13 37.209 0.300 . 1 . . . . 12 LYS CB . 10313 1 67 . 1 1 12 12 LYS CD C 13 28.956 0.300 . 1 . . . . 12 LYS CD . 10313 1 68 . 1 1 12 12 LYS CE C 13 40.648 0.300 . 1 . . . . 12 LYS CE . 10313 1 69 . 1 1 12 12 LYS CG C 13 25.388 0.300 . 1 . . . . 12 LYS CG . 10313 1 70 . 1 1 12 12 LYS N N 15 121.840 0.300 . 1 . . . . 12 LYS N . 10313 1 71 . 1 1 13 13 LYS H H 1 8.469 0.030 . 1 . . . . 13 LYS H . 10313 1 72 . 1 1 13 13 LYS HA H 1 5.133 0.030 . 1 . . . . 13 LYS HA . 10313 1 73 . 1 1 13 13 LYS HB2 H 1 1.803 0.030 . 2 . . . . 13 LYS HB2 . 10313 1 74 . 1 1 13 13 LYS HB3 H 1 1.732 0.030 . 2 . . . . 13 LYS HB3 . 10313 1 75 . 1 1 13 13 LYS HD2 H 1 1.593 0.030 . 1 . . . . 13 LYS HD2 . 10313 1 76 . 1 1 13 13 LYS HD3 H 1 1.593 0.030 . 1 . . . . 13 LYS HD3 . 10313 1 77 . 1 1 13 13 LYS HE2 H 1 2.938 0.030 . 1 . . . . 13 LYS HE2 . 10313 1 78 . 1 1 13 13 LYS HE3 H 1 2.938 0.030 . 1 . . . . 13 LYS HE3 . 10313 1 79 . 1 1 13 13 LYS HG2 H 1 1.468 0.030 . 2 . . . . 13 LYS HG2 . 10313 1 80 . 1 1 13 13 LYS HG3 H 1 1.402 0.030 . 2 . . . . 13 LYS HG3 . 10313 1 81 . 1 1 13 13 LYS C C 13 175.694 0.300 . 1 . . . . 13 LYS C . 10313 1 82 . 1 1 13 13 LYS CA C 13 55.115 0.300 . 1 . . . . 13 LYS CA . 10313 1 83 . 1 1 13 13 LYS CB C 13 35.182 0.300 . 1 . . . . 13 LYS CB . 10313 1 84 . 1 1 13 13 LYS CD C 13 29.716 0.300 . 1 . . . . 13 LYS CD . 10313 1 85 . 1 1 13 13 LYS CE C 13 42.045 0.300 . 1 . . . . 13 LYS CE . 10313 1 86 . 1 1 13 13 LYS CG C 13 24.491 0.300 . 1 . . . . 13 LYS CG . 10313 1 87 . 1 1 13 13 LYS N N 15 124.854 0.300 . 1 . . . . 13 LYS N . 10313 1 88 . 1 1 14 14 GLY H H 1 8.862 0.030 . 1 . . . . 14 GLY H . 10313 1 89 . 1 1 14 14 GLY HA2 H 1 4.474 0.030 . 2 . . . . 14 GLY HA2 . 10313 1 90 . 1 1 14 14 GLY HA3 H 1 4.087 0.030 . 2 . . . . 14 GLY HA3 . 10313 1 91 . 1 1 14 14 GLY C C 13 171.028 0.300 . 1 . . . . 14 GLY C . 10313 1 92 . 1 1 14 14 GLY CA C 13 46.053 0.300 . 1 . . . . 14 GLY CA . 10313 1 93 . 1 1 14 14 GLY N N 15 111.117 0.300 . 1 . . . . 14 GLY N . 10313 1 94 . 1 1 15 15 TYR H H 1 9.320 0.030 . 1 . . . . 15 TYR H . 10313 1 95 . 1 1 15 15 TYR HA H 1 5.452 0.030 . 1 . . . . 15 TYR HA . 10313 1 96 . 1 1 15 15 TYR HB2 H 1 2.882 0.030 . 2 . . . . 15 TYR HB2 . 10313 1 97 . 1 1 15 15 TYR HB3 H 1 2.732 0.030 . 2 . . . . 15 TYR HB3 . 10313 1 98 . 1 1 15 15 TYR HD1 H 1 7.002 0.030 . 1 . . . . 15 TYR HD1 . 10313 1 99 . 1 1 15 15 TYR HD2 H 1 7.002 0.030 . 1 . . . . 15 TYR HD2 . 10313 1 100 . 1 1 15 15 TYR HE1 H 1 6.818 0.030 . 1 . . . . 15 TYR HE1 . 10313 1 101 . 1 1 15 15 TYR HE2 H 1 6.818 0.030 . 1 . . . . 15 TYR HE2 . 10313 1 102 . 1 1 15 15 TYR C C 13 175.196 0.300 . 1 . . . . 15 TYR C . 10313 1 103 . 1 1 15 15 TYR CA C 13 57.976 0.300 . 1 . . . . 15 TYR CA . 10313 1 104 . 1 1 15 15 TYR CB C 13 41.758 0.300 . 1 . . . . 15 TYR CB . 10313 1 105 . 1 1 15 15 TYR CD1 C 13 133.159 0.300 . 1 . . . . 15 TYR CD1 . 10313 1 106 . 1 1 15 15 TYR CD2 C 13 133.159 0.300 . 1 . . . . 15 TYR CD2 . 10313 1 107 . 1 1 15 15 TYR CE1 C 13 118.084 0.300 . 1 . . . . 15 TYR CE1 . 10313 1 108 . 1 1 15 15 TYR CE2 C 13 118.084 0.300 . 1 . . . . 15 TYR CE2 . 10313 1 109 . 1 1 15 15 TYR N N 15 122.003 0.300 . 1 . . . . 15 TYR N . 10313 1 110 . 1 1 16 16 LEU H H 1 8.752 0.030 . 1 . . . . 16 LEU H . 10313 1 111 . 1 1 16 16 LEU HA H 1 4.501 0.030 . 1 . . . . 16 LEU HA . 10313 1 112 . 1 1 16 16 LEU HB2 H 1 1.497 0.030 . 2 . . . . 16 LEU HB2 . 10313 1 113 . 1 1 16 16 LEU HB3 H 1 1.174 0.030 . 2 . . . . 16 LEU HB3 . 10313 1 114 . 1 1 16 16 LEU HD11 H 1 -0.604 0.030 . 1 . . . . 16 LEU HD1 . 10313 1 115 . 1 1 16 16 LEU HD12 H 1 -0.604 0.030 . 1 . . . . 16 LEU HD1 . 10313 1 116 . 1 1 16 16 LEU HD13 H 1 -0.604 0.030 . 1 . . . . 16 LEU HD1 . 10313 1 117 . 1 1 16 16 LEU HD21 H 1 0.122 0.030 . 1 . . . . 16 LEU HD2 . 10313 1 118 . 1 1 16 16 LEU HD22 H 1 0.122 0.030 . 1 . . . . 16 LEU HD2 . 10313 1 119 . 1 1 16 16 LEU HD23 H 1 0.122 0.030 . 1 . . . . 16 LEU HD2 . 10313 1 120 . 1 1 16 16 LEU HG H 1 0.604 0.030 . 1 . . . . 16 LEU HG . 10313 1 121 . 1 1 16 16 LEU C C 13 175.649 0.300 . 1 . . . . 16 LEU C . 10313 1 122 . 1 1 16 16 LEU CA C 13 53.640 0.300 . 1 . . . . 16 LEU CA . 10313 1 123 . 1 1 16 16 LEU CB C 13 48.047 0.300 . 1 . . . . 16 LEU CB . 10313 1 124 . 1 1 16 16 LEU CD1 C 13 23.076 0.300 . 2 . . . . 16 LEU CD1 . 10313 1 125 . 1 1 16 16 LEU CD2 C 13 23.396 0.300 . 2 . . . . 16 LEU CD2 . 10313 1 126 . 1 1 16 16 LEU CG C 13 27.250 0.300 . 1 . . . . 16 LEU CG . 10313 1 127 . 1 1 16 16 LEU N N 15 120.456 0.300 . 1 . . . . 16 LEU N . 10313 1 128 . 1 1 17 17 LEU H H 1 8.572 0.030 . 1 . . . . 17 LEU H . 10313 1 129 . 1 1 17 17 LEU HA H 1 5.113 0.030 . 1 . . . . 17 LEU HA . 10313 1 130 . 1 1 17 17 LEU HB2 H 1 1.811 0.030 . 2 . . . . 17 LEU HB2 . 10313 1 131 . 1 1 17 17 LEU HB3 H 1 1.310 0.030 . 2 . . . . 17 LEU HB3 . 10313 1 132 . 1 1 17 17 LEU HD11 H 1 0.542 0.030 . 1 . . . . 17 LEU HD1 . 10313 1 133 . 1 1 17 17 LEU HD12 H 1 0.542 0.030 . 1 . . . . 17 LEU HD1 . 10313 1 134 . 1 1 17 17 LEU HD13 H 1 0.542 0.030 . 1 . . . . 17 LEU HD1 . 10313 1 135 . 1 1 17 17 LEU HD21 H 1 0.713 0.030 . 1 . . . . 17 LEU HD2 . 10313 1 136 . 1 1 17 17 LEU HD22 H 1 0.713 0.030 . 1 . . . . 17 LEU HD2 . 10313 1 137 . 1 1 17 17 LEU HD23 H 1 0.713 0.030 . 1 . . . . 17 LEU HD2 . 10313 1 138 . 1 1 17 17 LEU HG H 1 1.540 0.030 . 1 . . . . 17 LEU HG . 10313 1 139 . 1 1 17 17 LEU C C 13 175.956 0.300 . 1 . . . . 17 LEU C . 10313 1 140 . 1 1 17 17 LEU CA C 13 53.993 0.300 . 1 . . . . 17 LEU CA . 10313 1 141 . 1 1 17 17 LEU CB C 13 42.891 0.300 . 1 . . . . 17 LEU CB . 10313 1 142 . 1 1 17 17 LEU CD1 C 13 24.817 0.300 . 2 . . . . 17 LEU CD1 . 10313 1 143 . 1 1 17 17 LEU CD2 C 13 23.059 0.300 . 2 . . . . 17 LEU CD2 . 10313 1 144 . 1 1 17 17 LEU CG C 13 27.250 0.300 . 1 . . . . 17 LEU CG . 10313 1 145 . 1 1 17 17 LEU N N 15 118.708 0.300 . 1 . . . . 17 LEU N . 10313 1 146 . 1 1 18 18 LYS H H 1 9.484 0.030 . 1 . . . . 18 LYS H . 10313 1 147 . 1 1 18 18 LYS HA H 1 5.422 0.030 . 1 . . . . 18 LYS HA . 10313 1 148 . 1 1 18 18 LYS HB2 H 1 1.654 0.030 . 2 . . . . 18 LYS HB2 . 10313 1 149 . 1 1 18 18 LYS HB3 H 1 1.433 0.030 . 2 . . . . 18 LYS HB3 . 10313 1 150 . 1 1 18 18 LYS HD2 H 1 1.396 0.030 . 2 . . . . 18 LYS HD2 . 10313 1 151 . 1 1 18 18 LYS HD3 H 1 1.562 0.030 . 2 . . . . 18 LYS HD3 . 10313 1 152 . 1 1 18 18 LYS HE2 H 1 3.062 0.030 . 2 . . . . 18 LYS HE2 . 10313 1 153 . 1 1 18 18 LYS HE3 H 1 2.802 0.030 . 2 . . . . 18 LYS HE3 . 10313 1 154 . 1 1 18 18 LYS HG2 H 1 1.183 0.030 . 2 . . . . 18 LYS HG2 . 10313 1 155 . 1 1 18 18 LYS HG3 H 1 0.862 0.030 . 2 . . . . 18 LYS HG3 . 10313 1 156 . 1 1 18 18 LYS C C 13 177.071 0.300 . 1 . . . . 18 LYS C . 10313 1 157 . 1 1 18 18 LYS CA C 13 54.044 0.300 . 1 . . . . 18 LYS CA . 10313 1 158 . 1 1 18 18 LYS CB C 13 36.655 0.300 . 1 . . . . 18 LYS CB . 10313 1 159 . 1 1 18 18 LYS CD C 13 29.646 0.300 . 1 . . . . 18 LYS CD . 10313 1 160 . 1 1 18 18 LYS CE C 13 41.716 0.300 . 1 . . . . 18 LYS CE . 10313 1 161 . 1 1 18 18 LYS CG C 13 24.195 0.300 . 1 . . . . 18 LYS CG . 10313 1 162 . 1 1 18 18 LYS N N 15 123.351 0.300 . 1 . . . . 18 LYS N . 10313 1 163 . 1 1 19 19 LYS H H 1 8.296 0.030 . 1 . . . . 19 LYS H . 10313 1 164 . 1 1 19 19 LYS HA H 1 3.803 0.030 . 1 . . . . 19 LYS HA . 10313 1 165 . 1 1 19 19 LYS HB2 H 1 1.194 0.030 . 2 . . . . 19 LYS HB2 . 10313 1 166 . 1 1 19 19 LYS HB3 H 1 0.304 0.030 . 2 . . . . 19 LYS HB3 . 10313 1 167 . 1 1 19 19 LYS HD2 H 1 0.792 0.030 . 1 . . . . 19 LYS HD2 . 10313 1 168 . 1 1 19 19 LYS HD3 H 1 0.792 0.030 . 1 . . . . 19 LYS HD3 . 10313 1 169 . 1 1 19 19 LYS HE2 H 1 1.979 0.030 . 1 . . . . 19 LYS HE2 . 10313 1 170 . 1 1 19 19 LYS HE3 H 1 1.979 0.030 . 1 . . . . 19 LYS HE3 . 10313 1 171 . 1 1 19 19 LYS HG2 H 1 -0.163 0.030 . 2 . . . . 19 LYS HG2 . 10313 1 172 . 1 1 19 19 LYS HG3 H 1 0.692 0.030 . 2 . . . . 19 LYS HG3 . 10313 1 173 . 1 1 19 19 LYS C C 13 176.696 0.300 . 1 . . . . 19 LYS C . 10313 1 174 . 1 1 19 19 LYS CA C 13 56.888 0.300 . 1 . . . . 19 LYS CA . 10313 1 175 . 1 1 19 19 LYS CB C 13 32.683 0.300 . 1 . . . . 19 LYS CB . 10313 1 176 . 1 1 19 19 LYS CD C 13 28.851 0.300 . 1 . . . . 19 LYS CD . 10313 1 177 . 1 1 19 19 LYS CE C 13 41.048 0.300 . 1 . . . . 19 LYS CE . 10313 1 178 . 1 1 19 19 LYS CG C 13 24.691 0.300 . 1 . . . . 19 LYS CG . 10313 1 179 . 1 1 19 19 LYS N N 15 133.946 0.300 . 1 . . . . 19 LYS N . 10313 1 180 . 1 1 20 20 SER H H 1 8.889 0.030 . 1 . . . . 20 SER H . 10313 1 181 . 1 1 20 20 SER HA H 1 4.233 0.030 . 1 . . . . 20 SER HA . 10313 1 182 . 1 1 20 20 SER HB2 H 1 3.800 0.030 . 2 . . . . 20 SER HB2 . 10313 1 183 . 1 1 20 20 SER HB3 H 1 4.121 0.030 . 2 . . . . 20 SER HB3 . 10313 1 184 . 1 1 20 20 SER C C 13 173.275 0.300 . 1 . . . . 20 SER C . 10313 1 185 . 1 1 20 20 SER CA C 13 58.984 0.300 . 1 . . . . 20 SER CA . 10313 1 186 . 1 1 20 20 SER CB C 13 64.130 0.300 . 1 . . . . 20 SER CB . 10313 1 187 . 1 1 20 20 SER N N 15 123.686 0.300 . 1 . . . . 20 SER N . 10313 1 188 . 1 1 21 21 ASP H H 1 8.237 0.030 . 1 . . . . 21 ASP H . 10313 1 189 . 1 1 21 21 ASP HA H 1 4.673 0.030 . 1 . . . . 21 ASP HA . 10313 1 190 . 1 1 21 21 ASP HB2 H 1 2.720 0.030 . 2 . . . . 21 ASP HB2 . 10313 1 191 . 1 1 21 21 ASP HB3 H 1 2.511 0.030 . 2 . . . . 21 ASP HB3 . 10313 1 192 . 1 1 21 21 ASP C C 13 176.600 0.300 . 1 . . . . 21 ASP C . 10313 1 193 . 1 1 21 21 ASP CA C 13 54.237 0.300 . 1 . . . . 21 ASP CA . 10313 1 194 . 1 1 21 21 ASP CB C 13 42.215 0.300 . 1 . . . . 21 ASP CB . 10313 1 195 . 1 1 21 21 ASP N N 15 118.614 0.300 . 1 . . . . 21 ASP N . 10313 1 196 . 1 1 22 22 GLY H H 1 8.028 0.030 . 1 . . . . 22 GLY H . 10313 1 197 . 1 1 22 22 GLY HA2 H 1 3.986 0.030 . 1 . . . . 22 GLY HA2 . 10313 1 198 . 1 1 22 22 GLY HA3 H 1 3.986 0.030 . 1 . . . . 22 GLY HA3 . 10313 1 199 . 1 1 22 22 GLY C C 13 173.607 0.300 . 1 . . . . 22 GLY C . 10313 1 200 . 1 1 22 22 GLY CA C 13 44.509 0.300 . 1 . . . . 22 GLY CA . 10313 1 201 . 1 1 22 22 GLY N N 15 108.080 0.300 . 1 . . . . 22 GLY N . 10313 1 202 . 1 1 23 23 ILE H H 1 8.092 0.030 . 1 . . . . 23 ILE H . 10313 1 203 . 1 1 23 23 ILE HA H 1 3.832 0.030 . 1 . . . . 23 ILE HA . 10313 1 204 . 1 1 23 23 ILE HB H 1 1.787 0.030 . 1 . . . . 23 ILE HB . 10313 1 205 . 1 1 23 23 ILE HD11 H 1 0.842 0.030 . 1 . . . . 23 ILE HD1 . 10313 1 206 . 1 1 23 23 ILE HD12 H 1 0.842 0.030 . 1 . . . . 23 ILE HD1 . 10313 1 207 . 1 1 23 23 ILE HD13 H 1 0.842 0.030 . 1 . . . . 23 ILE HD1 . 10313 1 208 . 1 1 23 23 ILE HG12 H 1 1.195 0.030 . 2 . . . . 23 ILE HG12 . 10313 1 209 . 1 1 23 23 ILE HG13 H 1 1.445 0.030 . 2 . . . . 23 ILE HG13 . 10313 1 210 . 1 1 23 23 ILE HG21 H 1 0.880 0.030 . 1 . . . . 23 ILE HG2 . 10313 1 211 . 1 1 23 23 ILE HG22 H 1 0.880 0.030 . 1 . . . . 23 ILE HG2 . 10313 1 212 . 1 1 23 23 ILE HG23 H 1 0.880 0.030 . 1 . . . . 23 ILE HG2 . 10313 1 213 . 1 1 23 23 ILE C C 13 177.040 0.300 . 1 . . . . 23 ILE C . 10313 1 214 . 1 1 23 23 ILE CA C 13 63.402 0.300 . 1 . . . . 23 ILE CA . 10313 1 215 . 1 1 23 23 ILE CB C 13 38.257 0.300 . 1 . . . . 23 ILE CB . 10313 1 216 . 1 1 23 23 ILE CD1 C 13 13.072 0.300 . 1 . . . . 23 ILE CD1 . 10313 1 217 . 1 1 23 23 ILE CG1 C 13 27.908 0.300 . 1 . . . . 23 ILE CG1 . 10313 1 218 . 1 1 23 23 ILE CG2 C 13 17.469 0.300 . 1 . . . . 23 ILE CG2 . 10313 1 219 . 1 1 23 23 ILE N N 15 118.522 0.300 . 1 . . . . 23 ILE N . 10313 1 220 . 1 1 24 24 ARG H H 1 7.980 0.030 . 1 . . . . 24 ARG H . 10313 1 221 . 1 1 24 24 ARG HA H 1 4.293 0.030 . 1 . . . . 24 ARG HA . 10313 1 222 . 1 1 24 24 ARG HB2 H 1 1.665 0.030 . 1 . . . . 24 ARG HB2 . 10313 1 223 . 1 1 24 24 ARG HB3 H 1 1.665 0.030 . 1 . . . . 24 ARG HB3 . 10313 1 224 . 1 1 24 24 ARG HD2 H 1 3.134 0.030 . 1 . . . . 24 ARG HD2 . 10313 1 225 . 1 1 24 24 ARG HD3 H 1 3.134 0.030 . 1 . . . . 24 ARG HD3 . 10313 1 226 . 1 1 24 24 ARG HG2 H 1 1.555 0.030 . 2 . . . . 24 ARG HG2 . 10313 1 227 . 1 1 24 24 ARG HG3 H 1 1.432 0.030 . 2 . . . . 24 ARG HG3 . 10313 1 228 . 1 1 24 24 ARG C C 13 175.422 0.300 . 1 . . . . 24 ARG C . 10313 1 229 . 1 1 24 24 ARG CA C 13 55.396 0.300 . 1 . . . . 24 ARG CA . 10313 1 230 . 1 1 24 24 ARG CB C 13 30.204 0.300 . 1 . . . . 24 ARG CB . 10313 1 231 . 1 1 24 24 ARG CD C 13 43.255 0.300 . 1 . . . . 24 ARG CD . 10313 1 232 . 1 1 24 24 ARG CG C 13 27.462 0.300 . 1 . . . . 24 ARG CG . 10313 1 233 . 1 1 24 24 ARG N N 15 120.371 0.300 . 1 . . . . 24 ARG N . 10313 1 234 . 1 1 25 25 LYS H H 1 8.257 0.030 . 1 . . . . 25 LYS H . 10313 1 235 . 1 1 25 25 LYS HA H 1 4.036 0.030 . 1 . . . . 25 LYS HA . 10313 1 236 . 1 1 25 25 LYS HB2 H 1 1.609 0.030 . 2 . . . . 25 LYS HB2 . 10313 1 237 . 1 1 25 25 LYS HB3 H 1 1.292 0.030 . 2 . . . . 25 LYS HB3 . 10313 1 238 . 1 1 25 25 LYS HD2 H 1 1.452 0.030 . 1 . . . . 25 LYS HD2 . 10313 1 239 . 1 1 25 25 LYS HD3 H 1 1.452 0.030 . 1 . . . . 25 LYS HD3 . 10313 1 240 . 1 1 25 25 LYS HE2 H 1 2.942 0.030 . 1 . . . . 25 LYS HE2 . 10313 1 241 . 1 1 25 25 LYS HE3 H 1 2.942 0.030 . 1 . . . . 25 LYS HE3 . 10313 1 242 . 1 1 25 25 LYS HG2 H 1 1.264 0.030 . 2 . . . . 25 LYS HG2 . 10313 1 243 . 1 1 25 25 LYS HG3 H 1 1.192 0.030 . 2 . . . . 25 LYS HG3 . 10313 1 244 . 1 1 25 25 LYS C C 13 175.556 0.300 . 1 . . . . 25 LYS C . 10313 1 245 . 1 1 25 25 LYS CA C 13 55.677 0.300 . 1 . . . . 25 LYS CA . 10313 1 246 . 1 1 25 25 LYS CB C 13 31.867 0.300 . 1 . . . . 25 LYS CB . 10313 1 247 . 1 1 25 25 LYS CD C 13 28.977 0.300 . 1 . . . . 25 LYS CD . 10313 1 248 . 1 1 25 25 LYS CE C 13 42.867 0.300 . 1 . . . . 25 LYS CE . 10313 1 249 . 1 1 25 25 LYS CG C 13 24.800 0.300 . 1 . . . . 25 LYS CG . 10313 1 250 . 1 1 25 25 LYS N N 15 124.193 0.300 . 1 . . . . 25 LYS N . 10313 1 251 . 1 1 26 26 VAL H H 1 8.034 0.030 . 1 . . . . 26 VAL H . 10313 1 252 . 1 1 26 26 VAL HA H 1 4.331 0.030 . 1 . . . . 26 VAL HA . 10313 1 253 . 1 1 26 26 VAL HB H 1 2.043 0.030 . 1 . . . . 26 VAL HB . 10313 1 254 . 1 1 26 26 VAL HG11 H 1 0.812 0.030 . 1 . . . . 26 VAL HG1 . 10313 1 255 . 1 1 26 26 VAL HG12 H 1 0.812 0.030 . 1 . . . . 26 VAL HG1 . 10313 1 256 . 1 1 26 26 VAL HG13 H 1 0.812 0.030 . 1 . . . . 26 VAL HG1 . 10313 1 257 . 1 1 26 26 VAL HG21 H 1 0.752 0.030 . 1 . . . . 26 VAL HG2 . 10313 1 258 . 1 1 26 26 VAL HG22 H 1 0.752 0.030 . 1 . . . . 26 VAL HG2 . 10313 1 259 . 1 1 26 26 VAL HG23 H 1 0.752 0.030 . 1 . . . . 26 VAL HG2 . 10313 1 260 . 1 1 26 26 VAL C C 13 175.529 0.300 . 1 . . . . 26 VAL C . 10313 1 261 . 1 1 26 26 VAL CA C 13 59.416 0.300 . 1 . . . . 26 VAL CA . 10313 1 262 . 1 1 26 26 VAL CB C 13 34.936 0.300 . 1 . . . . 26 VAL CB . 10313 1 263 . 1 1 26 26 VAL CG1 C 13 21.457 0.300 . 2 . . . . 26 VAL CG1 . 10313 1 264 . 1 1 26 26 VAL CG2 C 13 18.807 0.300 . 2 . . . . 26 VAL CG2 . 10313 1 265 . 1 1 26 26 VAL N N 15 117.927 0.300 . 1 . . . . 26 VAL N . 10313 1 266 . 1 1 27 27 TRP H H 1 8.648 0.030 . 1 . . . . 27 TRP H . 10313 1 267 . 1 1 27 27 TRP HA H 1 4.542 0.030 . 1 . . . . 27 TRP HA . 10313 1 268 . 1 1 27 27 TRP HB2 H 1 3.072 0.030 . 2 . . . . 27 TRP HB2 . 10313 1 269 . 1 1 27 27 TRP HB3 H 1 2.944 0.030 . 2 . . . . 27 TRP HB3 . 10313 1 270 . 1 1 27 27 TRP HD1 H 1 7.253 0.030 . 1 . . . . 27 TRP HD1 . 10313 1 271 . 1 1 27 27 TRP HE1 H 1 10.053 0.030 . 1 . . . . 27 TRP HE1 . 10313 1 272 . 1 1 27 27 TRP HE3 H 1 6.931 0.030 . 1 . . . . 27 TRP HE3 . 10313 1 273 . 1 1 27 27 TRP HH2 H 1 6.892 0.030 . 1 . . . . 27 TRP HH2 . 10313 1 274 . 1 1 27 27 TRP HZ2 H 1 7.339 0.030 . 1 . . . . 27 TRP HZ2 . 10313 1 275 . 1 1 27 27 TRP HZ3 H 1 6.714 0.030 . 1 . . . . 27 TRP HZ3 . 10313 1 276 . 1 1 27 27 TRP C C 13 176.642 0.300 . 1 . . . . 27 TRP C . 10313 1 277 . 1 1 27 27 TRP CA C 13 57.063 0.300 . 1 . . . . 27 TRP CA . 10313 1 278 . 1 1 27 27 TRP CB C 13 30.509 0.300 . 1 . . . . 27 TRP CB . 10313 1 279 . 1 1 27 27 TRP CD1 C 13 128.120 0.300 . 1 . . . . 27 TRP CD1 . 10313 1 280 . 1 1 27 27 TRP CE3 C 13 119.818 0.300 . 1 . . . . 27 TRP CE3 . 10313 1 281 . 1 1 27 27 TRP CH2 C 13 123.825 0.300 . 1 . . . . 27 TRP CH2 . 10313 1 282 . 1 1 27 27 TRP CZ2 C 13 115.063 0.300 . 1 . . . . 27 TRP CZ2 . 10313 1 283 . 1 1 27 27 TRP CZ3 C 13 122.748 0.300 . 1 . . . . 27 TRP CZ3 . 10313 1 284 . 1 1 27 27 TRP N N 15 123.878 0.300 . 1 . . . . 27 TRP N . 10313 1 285 . 1 1 27 27 TRP NE1 N 15 128.922 0.300 . 1 . . . . 27 TRP NE1 . 10313 1 286 . 1 1 28 28 GLN H H 1 8.635 0.030 . 1 . . . . 28 GLN H . 10313 1 287 . 1 1 28 28 GLN HA H 1 4.787 0.030 . 1 . . . . 28 GLN HA . 10313 1 288 . 1 1 28 28 GLN HB2 H 1 2.083 0.030 . 2 . . . . 28 GLN HB2 . 10313 1 289 . 1 1 28 28 GLN HB3 H 1 2.013 0.030 . 2 . . . . 28 GLN HB3 . 10313 1 290 . 1 1 28 28 GLN HE21 H 1 7.002 0.030 . 2 . . . . 28 GLN HE21 . 10313 1 291 . 1 1 28 28 GLN HE22 H 1 7.633 0.030 . 2 . . . . 28 GLN HE22 . 10313 1 292 . 1 1 28 28 GLN HG2 H 1 2.301 0.030 . 1 . . . . 28 GLN HG2 . 10313 1 293 . 1 1 28 28 GLN HG3 H 1 2.301 0.030 . 1 . . . . 28 GLN HG3 . 10313 1 294 . 1 1 28 28 GLN C C 13 174.904 0.300 . 1 . . . . 28 GLN C . 10313 1 295 . 1 1 28 28 GLN CA C 13 54.201 0.300 . 1 . . . . 28 GLN CA . 10313 1 296 . 1 1 28 28 GLN CB C 13 32.300 0.300 . 1 . . . . 28 GLN CB . 10313 1 297 . 1 1 28 28 GLN CG C 13 34.237 0.300 . 1 . . . . 28 GLN CG . 10313 1 298 . 1 1 28 28 GLN N N 15 121.691 0.300 . 1 . . . . 28 GLN N . 10313 1 299 . 1 1 28 28 GLN NE2 N 15 113.294 0.300 . 1 . . . . 28 GLN NE2 . 10313 1 300 . 1 1 29 29 ARG H H 1 9.074 0.030 . 1 . . . . 29 ARG H . 10313 1 301 . 1 1 29 29 ARG HA H 1 4.552 0.030 . 1 . . . . 29 ARG HA . 10313 1 302 . 1 1 29 29 ARG HB2 H 1 1.809 0.030 . 2 . . . . 29 ARG HB2 . 10313 1 303 . 1 1 29 29 ARG HB3 H 1 1.657 0.030 . 2 . . . . 29 ARG HB3 . 10313 1 304 . 1 1 29 29 ARG HD2 H 1 2.863 0.030 . 1 . . . . 29 ARG HD2 . 10313 1 305 . 1 1 29 29 ARG HD3 H 1 2.863 0.030 . 1 . . . . 29 ARG HD3 . 10313 1 306 . 1 1 29 29 ARG HG2 H 1 1.522 0.030 . 2 . . . . 29 ARG HG2 . 10313 1 307 . 1 1 29 29 ARG HG3 H 1 1.453 0.030 . 2 . . . . 29 ARG HG3 . 10313 1 308 . 1 1 29 29 ARG C C 13 176.681 0.300 . 1 . . . . 29 ARG C . 10313 1 309 . 1 1 29 29 ARG CA C 13 57.871 0.300 . 1 . . . . 29 ARG CA . 10313 1 310 . 1 1 29 29 ARG CB C 13 31.013 0.300 . 1 . . . . 29 ARG CB . 10313 1 311 . 1 1 29 29 ARG CD C 13 43.205 0.300 . 1 . . . . 29 ARG CD . 10313 1 312 . 1 1 29 29 ARG CG C 13 28.648 0.300 . 1 . . . . 29 ARG CG . 10313 1 313 . 1 1 29 29 ARG N N 15 126.253 0.300 . 1 . . . . 29 ARG N . 10313 1 314 . 1 1 30 30 ARG H H 1 9.532 0.030 . 1 . . . . 30 ARG H . 10313 1 315 . 1 1 30 30 ARG HA H 1 4.945 0.030 . 1 . . . . 30 ARG HA . 10313 1 316 . 1 1 30 30 ARG HB2 H 1 1.583 0.030 . 2 . . . . 30 ARG HB2 . 10313 1 317 . 1 1 30 30 ARG HB3 H 1 1.845 0.030 . 2 . . . . 30 ARG HB3 . 10313 1 318 . 1 1 30 30 ARG HD2 H 1 3.334 0.030 . 2 . . . . 30 ARG HD2 . 10313 1 319 . 1 1 30 30 ARG HD3 H 1 3.181 0.030 . 2 . . . . 30 ARG HD3 . 10313 1 320 . 1 1 30 30 ARG HG2 H 1 1.664 0.030 . 2 . . . . 30 ARG HG2 . 10313 1 321 . 1 1 30 30 ARG HG3 H 1 1.392 0.030 . 2 . . . . 30 ARG HG3 . 10313 1 322 . 1 1 30 30 ARG C C 13 174.898 0.300 . 1 . . . . 30 ARG C . 10313 1 323 . 1 1 30 30 ARG CA C 13 52.902 0.300 . 1 . . . . 30 ARG CA . 10313 1 324 . 1 1 30 30 ARG CB C 13 33.605 0.300 . 1 . . . . 30 ARG CB . 10313 1 325 . 1 1 30 30 ARG CD C 13 42.456 0.300 . 1 . . . . 30 ARG CD . 10313 1 326 . 1 1 30 30 ARG CG C 13 27.098 0.300 . 1 . . . . 30 ARG CG . 10313 1 327 . 1 1 30 30 ARG N N 15 126.844 0.300 . 1 . . . . 30 ARG N . 10313 1 328 . 1 1 31 31 LYS H H 1 8.832 0.030 . 1 . . . . 31 LYS H . 10313 1 329 . 1 1 31 31 LYS HA H 1 4.094 0.030 . 1 . . . . 31 LYS HA . 10313 1 330 . 1 1 31 31 LYS HB2 H 1 1.781 0.030 . 2 . . . . 31 LYS HB2 . 10313 1 331 . 1 1 31 31 LYS HB3 H 1 1.569 0.030 . 2 . . . . 31 LYS HB3 . 10313 1 332 . 1 1 31 31 LYS HD2 H 1 1.554 0.030 . 1 . . . . 31 LYS HD2 . 10313 1 333 . 1 1 31 31 LYS HD3 H 1 1.554 0.030 . 1 . . . . 31 LYS HD3 . 10313 1 334 . 1 1 31 31 LYS HE2 H 1 2.875 0.030 . 1 . . . . 31 LYS HE2 . 10313 1 335 . 1 1 31 31 LYS HE3 H 1 2.875 0.030 . 1 . . . . 31 LYS HE3 . 10313 1 336 . 1 1 31 31 LYS HG2 H 1 1.162 0.030 . 2 . . . . 31 LYS HG2 . 10313 1 337 . 1 1 31 31 LYS HG3 H 1 1.090 0.030 . 2 . . . . 31 LYS HG3 . 10313 1 338 . 1 1 31 31 LYS C C 13 176.041 0.300 . 1 . . . . 31 LYS C . 10313 1 339 . 1 1 31 31 LYS CA C 13 56.923 0.300 . 1 . . . . 31 LYS CA . 10313 1 340 . 1 1 31 31 LYS CB C 13 32.634 0.300 . 1 . . . . 31 LYS CB . 10313 1 341 . 1 1 31 31 LYS CD C 13 29.105 0.300 . 1 . . . . 31 LYS CD . 10313 1 342 . 1 1 31 31 LYS CE C 13 41.881 0.300 . 1 . . . . 31 LYS CE . 10313 1 343 . 1 1 31 31 LYS CG C 13 25.113 0.300 . 1 . . . . 31 LYS CG . 10313 1 344 . 1 1 31 31 LYS N N 15 125.655 0.300 . 1 . . . . 31 LYS N . 10313 1 345 . 1 1 32 32 CYS H H 1 8.854 0.030 . 1 . . . . 32 CYS H . 10313 1 346 . 1 1 32 32 CYS HA H 1 5.711 0.030 . 1 . . . . 32 CYS HA . 10313 1 347 . 1 1 32 32 CYS HB2 H 1 2.463 0.030 . 2 . . . . 32 CYS HB2 . 10313 1 348 . 1 1 32 32 CYS HB3 H 1 2.323 0.030 . 2 . . . . 32 CYS HB3 . 10313 1 349 . 1 1 32 32 CYS C C 13 173.437 0.300 . 1 . . . . 32 CYS C . 10313 1 350 . 1 1 32 32 CYS CA C 13 57.485 0.300 . 1 . . . . 32 CYS CA . 10313 1 351 . 1 1 32 32 CYS CB C 13 32.693 0.300 . 1 . . . . 32 CYS CB . 10313 1 352 . 1 1 32 32 CYS N N 15 124.713 0.300 . 1 . . . . 32 CYS N . 10313 1 353 . 1 1 33 33 SER H H 1 8.770 0.030 . 1 . . . . 33 SER H . 10313 1 354 . 1 1 33 33 SER HA H 1 5.563 0.030 . 1 . . . . 33 SER HA . 10313 1 355 . 1 1 33 33 SER HB2 H 1 3.913 0.030 . 2 . . . . 33 SER HB2 . 10313 1 356 . 1 1 33 33 SER HB3 H 1 3.852 0.030 . 2 . . . . 33 SER HB3 . 10313 1 357 . 1 1 33 33 SER C C 13 172.799 0.300 . 1 . . . . 33 SER C . 10313 1 358 . 1 1 33 33 SER CA C 13 56.555 0.300 . 1 . . . . 33 SER CA . 10313 1 359 . 1 1 33 33 SER CB C 13 65.881 0.300 . 1 . . . . 33 SER CB . 10313 1 360 . 1 1 33 33 SER N N 15 114.858 0.300 . 1 . . . . 33 SER N . 10313 1 361 . 1 1 34 34 VAL H H 1 9.272 0.030 . 1 . . . . 34 VAL H . 10313 1 362 . 1 1 34 34 VAL HA H 1 5.300 0.030 . 1 . . . . 34 VAL HA . 10313 1 363 . 1 1 34 34 VAL HB H 1 1.750 0.030 . 1 . . . . 34 VAL HB . 10313 1 364 . 1 1 34 34 VAL HG11 H 1 0.832 0.030 . 1 . . . . 34 VAL HG1 . 10313 1 365 . 1 1 34 34 VAL HG12 H 1 0.832 0.030 . 1 . . . . 34 VAL HG1 . 10313 1 366 . 1 1 34 34 VAL HG13 H 1 0.832 0.030 . 1 . . . . 34 VAL HG1 . 10313 1 367 . 1 1 34 34 VAL HG21 H 1 0.981 0.030 . 1 . . . . 34 VAL HG2 . 10313 1 368 . 1 1 34 34 VAL HG22 H 1 0.981 0.030 . 1 . . . . 34 VAL HG2 . 10313 1 369 . 1 1 34 34 VAL HG23 H 1 0.981 0.030 . 1 . . . . 34 VAL HG2 . 10313 1 370 . 1 1 34 34 VAL C C 13 174.913 0.300 . 1 . . . . 34 VAL C . 10313 1 371 . 1 1 34 34 VAL CA C 13 60.259 0.300 . 1 . . . . 34 VAL CA . 10313 1 372 . 1 1 34 34 VAL CB C 13 34.930 0.300 . 1 . . . . 34 VAL CB . 10313 1 373 . 1 1 34 34 VAL CG1 C 13 21.661 0.300 . 2 . . . . 34 VAL CG1 . 10313 1 374 . 1 1 34 34 VAL CG2 C 13 23.634 0.300 . 2 . . . . 34 VAL CG2 . 10313 1 375 . 1 1 34 34 VAL N N 15 123.527 0.300 . 1 . . . . 34 VAL N . 10313 1 376 . 1 1 35 35 LYS H H 1 8.184 0.030 . 1 . . . . 35 LYS H . 10313 1 377 . 1 1 35 35 LYS HA H 1 4.370 0.030 . 1 . . . . 35 LYS HA . 10313 1 378 . 1 1 35 35 LYS HB2 H 1 1.908 0.030 . 2 . . . . 35 LYS HB2 . 10313 1 379 . 1 1 35 35 LYS HB3 H 1 1.700 0.030 . 2 . . . . 35 LYS HB3 . 10313 1 380 . 1 1 35 35 LYS HD2 H 1 1.598 0.030 . 1 . . . . 35 LYS HD2 . 10313 1 381 . 1 1 35 35 LYS HD3 H 1 1.598 0.030 . 1 . . . . 35 LYS HD3 . 10313 1 382 . 1 1 35 35 LYS HE2 H 1 2.916 0.030 . 1 . . . . 35 LYS HE2 . 10313 1 383 . 1 1 35 35 LYS HE3 H 1 2.916 0.030 . 1 . . . . 35 LYS HE3 . 10313 1 384 . 1 1 35 35 LYS HG2 H 1 1.274 0.030 . 1 . . . . 35 LYS HG2 . 10313 1 385 . 1 1 35 35 LYS HG3 H 1 1.274 0.030 . 1 . . . . 35 LYS HG3 . 10313 1 386 . 1 1 35 35 LYS C C 13 175.778 0.300 . 1 . . . . 35 LYS C . 10313 1 387 . 1 1 35 35 LYS CA C 13 56.940 0.300 . 1 . . . . 35 LYS CA . 10313 1 388 . 1 1 35 35 LYS CB C 13 35.141 0.300 . 1 . . . . 35 LYS CB . 10313 1 389 . 1 1 35 35 LYS CD C 13 29.305 0.300 . 1 . . . . 35 LYS CD . 10313 1 390 . 1 1 35 35 LYS CE C 13 42.210 0.300 . 1 . . . . 35 LYS CE . 10313 1 391 . 1 1 35 35 LYS CG C 13 24.702 0.300 . 1 . . . . 35 LYS CG . 10313 1 392 . 1 1 35 35 LYS N N 15 125.816 0.300 . 1 . . . . 35 LYS N . 10313 1 393 . 1 1 36 36 ASN H H 1 9.862 0.030 . 1 . . . . 36 ASN H . 10313 1 394 . 1 1 36 36 ASN HA H 1 4.322 0.030 . 1 . . . . 36 ASN HA . 10313 1 395 . 1 1 36 36 ASN HB2 H 1 3.010 0.030 . 2 . . . . 36 ASN HB2 . 10313 1 396 . 1 1 36 36 ASN HB3 H 1 2.722 0.030 . 2 . . . . 36 ASN HB3 . 10313 1 397 . 1 1 36 36 ASN HD21 H 1 7.570 0.030 . 2 . . . . 36 ASN HD21 . 10313 1 398 . 1 1 36 36 ASN HD22 H 1 6.922 0.030 . 2 . . . . 36 ASN HD22 . 10313 1 399 . 1 1 36 36 ASN C C 13 174.557 0.300 . 1 . . . . 36 ASN C . 10313 1 400 . 1 1 36 36 ASN CA C 13 54.271 0.300 . 1 . . . . 36 ASN CA . 10313 1 401 . 1 1 36 36 ASN CB C 13 37.566 0.300 . 1 . . . . 36 ASN CB . 10313 1 402 . 1 1 36 36 ASN N N 15 126.045 0.300 . 1 . . . . 36 ASN N . 10313 1 403 . 1 1 36 36 ASN ND2 N 15 111.938 0.300 . 1 . . . . 36 ASN ND2 . 10313 1 404 . 1 1 37 37 GLY H H 1 8.252 0.030 . 1 . . . . 37 GLY H . 10313 1 405 . 1 1 37 37 GLY HA2 H 1 3.933 0.030 . 2 . . . . 37 GLY HA2 . 10313 1 406 . 1 1 37 37 GLY HA3 H 1 3.624 0.030 . 2 . . . . 37 GLY HA3 . 10313 1 407 . 1 1 37 37 GLY C C 13 172.392 0.300 . 1 . . . . 37 GLY C . 10313 1 408 . 1 1 37 37 GLY CA C 13 46.053 0.300 . 1 . . . . 37 GLY CA . 10313 1 409 . 1 1 37 37 GLY N N 15 101.964 0.300 . 1 . . . . 37 GLY N . 10313 1 410 . 1 1 38 38 ILE H H 1 7.749 0.030 . 1 . . . . 38 ILE H . 10313 1 411 . 1 1 38 38 ILE HA H 1 4.812 0.030 . 1 . . . . 38 ILE HA . 10313 1 412 . 1 1 38 38 ILE HB H 1 2.000 0.030 . 1 . . . . 38 ILE HB . 10313 1 413 . 1 1 38 38 ILE HD11 H 1 0.772 0.030 . 1 . . . . 38 ILE HD1 . 10313 1 414 . 1 1 38 38 ILE HD12 H 1 0.772 0.030 . 1 . . . . 38 ILE HD1 . 10313 1 415 . 1 1 38 38 ILE HD13 H 1 0.772 0.030 . 1 . . . . 38 ILE HD1 . 10313 1 416 . 1 1 38 38 ILE HG12 H 1 1.241 0.030 . 2 . . . . 38 ILE HG12 . 10313 1 417 . 1 1 38 38 ILE HG13 H 1 1.432 0.030 . 2 . . . . 38 ILE HG13 . 10313 1 418 . 1 1 38 38 ILE HG21 H 1 0.689 0.030 . 1 . . . . 38 ILE HG2 . 10313 1 419 . 1 1 38 38 ILE HG22 H 1 0.689 0.030 . 1 . . . . 38 ILE HG2 . 10313 1 420 . 1 1 38 38 ILE HG23 H 1 0.689 0.030 . 1 . . . . 38 ILE HG2 . 10313 1 421 . 1 1 38 38 ILE C C 13 176.169 0.300 . 1 . . . . 38 ILE C . 10313 1 422 . 1 1 38 38 ILE CA C 13 58.503 0.300 . 1 . . . . 38 ILE CA . 10313 1 423 . 1 1 38 38 ILE CB C 13 39.877 0.300 . 1 . . . . 38 ILE CB . 10313 1 424 . 1 1 38 38 ILE CD1 C 13 11.387 0.300 . 1 . . . . 38 ILE CD1 . 10313 1 425 . 1 1 38 38 ILE CG1 C 13 26.859 0.300 . 1 . . . . 38 ILE CG1 . 10313 1 426 . 1 1 38 38 ILE CG2 C 13 17.305 0.300 . 1 . . . . 38 ILE CG2 . 10313 1 427 . 1 1 38 38 ILE N N 15 120.177 0.300 . 1 . . . . 38 ILE N . 10313 1 428 . 1 1 39 39 LEU H H 1 9.077 0.030 . 1 . . . . 39 LEU H . 10313 1 429 . 1 1 39 39 LEU HA H 1 5.277 0.030 . 1 . . . . 39 LEU HA . 10313 1 430 . 1 1 39 39 LEU HB2 H 1 1.801 0.030 . 2 . . . . 39 LEU HB2 . 10313 1 431 . 1 1 39 39 LEU HB3 H 1 1.105 0.030 . 2 . . . . 39 LEU HB3 . 10313 1 432 . 1 1 39 39 LEU HD11 H 1 0.623 0.030 . 1 . . . . 39 LEU HD1 . 10313 1 433 . 1 1 39 39 LEU HD12 H 1 0.623 0.030 . 1 . . . . 39 LEU HD1 . 10313 1 434 . 1 1 39 39 LEU HD13 H 1 0.623 0.030 . 1 . . . . 39 LEU HD1 . 10313 1 435 . 1 1 39 39 LEU HD21 H 1 0.481 0.030 . 1 . . . . 39 LEU HD2 . 10313 1 436 . 1 1 39 39 LEU HD22 H 1 0.481 0.030 . 1 . . . . 39 LEU HD2 . 10313 1 437 . 1 1 39 39 LEU HD23 H 1 0.481 0.030 . 1 . . . . 39 LEU HD2 . 10313 1 438 . 1 1 39 39 LEU HG H 1 1.281 0.030 . 1 . . . . 39 LEU HG . 10313 1 439 . 1 1 39 39 LEU C C 13 174.428 0.300 . 1 . . . . 39 LEU C . 10313 1 440 . 1 1 39 39 LEU CA C 13 53.148 0.300 . 1 . . . . 39 LEU CA . 10313 1 441 . 1 1 39 39 LEU CB C 13 44.708 0.300 . 1 . . . . 39 LEU CB . 10313 1 442 . 1 1 39 39 LEU CD1 C 13 23.634 0.300 . 2 . . . . 39 LEU CD1 . 10313 1 443 . 1 1 39 39 LEU CD2 C 13 27.060 0.300 . 2 . . . . 39 LEU CD2 . 10313 1 444 . 1 1 39 39 LEU CG C 13 27.465 0.300 . 1 . . . . 39 LEU CG . 10313 1 445 . 1 1 39 39 LEU N N 15 131.378 0.300 . 1 . . . . 39 LEU N . 10313 1 446 . 1 1 40 40 THR H H 1 9.683 0.030 . 1 . . . . 40 THR H . 10313 1 447 . 1 1 40 40 THR HA H 1 5.156 0.030 . 1 . . . . 40 THR HA . 10313 1 448 . 1 1 40 40 THR HB H 1 4.074 0.030 . 1 . . . . 40 THR HB . 10313 1 449 . 1 1 40 40 THR HG21 H 1 1.102 0.030 . 1 . . . . 40 THR HG2 . 10313 1 450 . 1 1 40 40 THR HG22 H 1 1.102 0.030 . 1 . . . . 40 THR HG2 . 10313 1 451 . 1 1 40 40 THR HG23 H 1 1.102 0.030 . 1 . . . . 40 THR HG2 . 10313 1 452 . 1 1 40 40 THR C C 13 174.326 0.300 . 1 . . . . 40 THR C . 10313 1 453 . 1 1 40 40 THR CA C 13 62.068 0.300 . 1 . . . . 40 THR CA . 10313 1 454 . 1 1 40 40 THR CB C 13 69.492 0.300 . 1 . . . . 40 THR CB . 10313 1 455 . 1 1 40 40 THR CG2 C 13 21.759 0.300 . 1 . . . . 40 THR CG2 . 10313 1 456 . 1 1 40 40 THR N N 15 124.873 0.300 . 1 . . . . 40 THR N . 10313 1 457 . 1 1 41 41 ILE H H 1 9.111 0.030 . 1 . . . . 41 ILE H . 10313 1 458 . 1 1 41 41 ILE HA H 1 4.702 0.030 . 1 . . . . 41 ILE HA . 10313 1 459 . 1 1 41 41 ILE HB H 1 1.753 0.030 . 1 . . . . 41 ILE HB . 10313 1 460 . 1 1 41 41 ILE HD11 H 1 0.673 0.030 . 1 . . . . 41 ILE HD1 . 10313 1 461 . 1 1 41 41 ILE HD12 H 1 0.673 0.030 . 1 . . . . 41 ILE HD1 . 10313 1 462 . 1 1 41 41 ILE HD13 H 1 0.673 0.030 . 1 . . . . 41 ILE HD1 . 10313 1 463 . 1 1 41 41 ILE HG12 H 1 1.402 0.030 . 2 . . . . 41 ILE HG12 . 10313 1 464 . 1 1 41 41 ILE HG13 H 1 0.913 0.030 . 2 . . . . 41 ILE HG13 . 10313 1 465 . 1 1 41 41 ILE HG21 H 1 0.871 0.030 . 1 . . . . 41 ILE HG2 . 10313 1 466 . 1 1 41 41 ILE HG22 H 1 0.871 0.030 . 1 . . . . 41 ILE HG2 . 10313 1 467 . 1 1 41 41 ILE HG23 H 1 0.871 0.030 . 1 . . . . 41 ILE HG2 . 10313 1 468 . 1 1 41 41 ILE C C 13 175.976 0.300 . 1 . . . . 41 ILE C . 10313 1 469 . 1 1 41 41 ILE CA C 13 60.084 0.300 . 1 . . . . 41 ILE CA . 10313 1 470 . 1 1 41 41 ILE CB C 13 40.617 0.300 . 1 . . . . 41 ILE CB . 10313 1 471 . 1 1 41 41 ILE CD1 C 13 15.035 0.300 . 1 . . . . 41 ILE CD1 . 10313 1 472 . 1 1 41 41 ILE CG1 C 13 26.922 0.300 . 1 . . . . 41 ILE CG1 . 10313 1 473 . 1 1 41 41 ILE CG2 C 13 17.674 0.300 . 1 . . . . 41 ILE CG2 . 10313 1 474 . 1 1 41 41 ILE N N 15 127.122 0.300 . 1 . . . . 41 ILE N . 10313 1 475 . 1 1 42 42 SER H H 1 8.814 0.030 . 1 . . . . 42 SER H . 10313 1 476 . 1 1 42 42 SER HA H 1 4.492 0.030 . 1 . . . . 42 SER HA . 10313 1 477 . 1 1 42 42 SER HB2 H 1 4.012 0.030 . 1 . . . . 42 SER HB2 . 10313 1 478 . 1 1 42 42 SER HB3 H 1 4.012 0.030 . 1 . . . . 42 SER HB3 . 10313 1 479 . 1 1 42 42 SER C C 13 173.783 0.300 . 1 . . . . 42 SER C . 10313 1 480 . 1 1 42 42 SER CA C 13 59.662 0.300 . 1 . . . . 42 SER CA . 10313 1 481 . 1 1 42 42 SER CB C 13 64.160 0.300 . 1 . . . . 42 SER CB . 10313 1 482 . 1 1 42 42 SER N N 15 123.373 0.300 . 1 . . . . 42 SER N . 10313 1 483 . 1 1 43 43 HIS H H 1 8.943 0.030 . 1 . . . . 43 HIS H . 10313 1 484 . 1 1 43 43 HIS HA H 1 4.402 0.030 . 1 . . . . 43 HIS HA . 10313 1 485 . 1 1 43 43 HIS HB2 H 1 3.042 0.030 . 2 . . . . 43 HIS HB2 . 10313 1 486 . 1 1 43 43 HIS HB3 H 1 3.243 0.030 . 2 . . . . 43 HIS HB3 . 10313 1 487 . 1 1 43 43 HIS HD2 H 1 7.132 0.030 . 1 . . . . 43 HIS HD2 . 10313 1 488 . 1 1 43 43 HIS C C 13 175.677 0.300 . 1 . . . . 43 HIS C . 10313 1 489 . 1 1 43 43 HIS CA C 13 57.485 0.300 . 1 . . . . 43 HIS CA . 10313 1 490 . 1 1 43 43 HIS CB C 13 31.607 0.300 . 1 . . . . 43 HIS CB . 10313 1 491 . 1 1 43 43 HIS CD2 C 13 119.299 0.300 . 1 . . . . 43 HIS CD2 . 10313 1 492 . 1 1 43 43 HIS N N 15 122.669 0.300 . 1 . . . . 43 HIS N . 10313 1 493 . 1 1 44 44 ALA HA H 1 4.204 0.030 . 1 . . . . 44 ALA HA . 10313 1 494 . 1 1 44 44 ALA HB1 H 1 1.469 0.030 . 1 . . . . 44 ALA HB . 10313 1 495 . 1 1 44 44 ALA HB2 H 1 1.469 0.030 . 1 . . . . 44 ALA HB . 10313 1 496 . 1 1 44 44 ALA HB3 H 1 1.469 0.030 . 1 . . . . 44 ALA HB . 10313 1 497 . 1 1 44 44 ALA CA C 13 54.756 0.300 . 1 . . . . 44 ALA CA . 10313 1 498 . 1 1 44 44 ALA CB C 13 19.581 0.300 . 1 . . . . 44 ALA CB . 10313 1 499 . 1 1 45 45 THR HA H 1 4.593 0.030 . 1 . . . . 45 THR HA . 10313 1 500 . 1 1 45 45 THR HB H 1 4.367 0.030 . 1 . . . . 45 THR HB . 10313 1 501 . 1 1 45 45 THR HG21 H 1 1.234 0.030 . 1 . . . . 45 THR HG2 . 10313 1 502 . 1 1 45 45 THR HG22 H 1 1.234 0.030 . 1 . . . . 45 THR HG2 . 10313 1 503 . 1 1 45 45 THR HG23 H 1 1.234 0.030 . 1 . . . . 45 THR HG2 . 10313 1 504 . 1 1 45 45 THR CA C 13 61.166 0.300 . 1 . . . . 45 THR CA . 10313 1 505 . 1 1 45 45 THR CB C 13 70.297 0.300 . 1 . . . . 45 THR CB . 10313 1 506 . 1 1 45 45 THR CG2 C 13 21.791 0.300 . 1 . . . . 45 THR CG2 . 10313 1 507 . 1 1 47 47 ASN HA H 1 4.700 0.030 . 1 . . . . 47 ASN HA . 10313 1 508 . 1 1 47 47 ASN HB2 H 1 2.872 0.030 . 1 . . . . 47 ASN HB2 . 10313 1 509 . 1 1 47 47 ASN HB3 H 1 2.872 0.030 . 1 . . . . 47 ASN HB3 . 10313 1 510 . 1 1 47 47 ASN HD21 H 1 6.884 0.030 . 2 . . . . 47 ASN HD21 . 10313 1 511 . 1 1 47 47 ASN HD22 H 1 7.585 0.030 . 2 . . . . 47 ASN HD22 . 10313 1 512 . 1 1 47 47 ASN C C 13 174.867 0.300 . 1 . . . . 47 ASN C . 10313 1 513 . 1 1 47 47 ASN CA C 13 53.446 0.300 . 1 . . . . 47 ASN CA . 10313 1 514 . 1 1 47 47 ASN CB C 13 37.853 0.300 . 1 . . . . 47 ASN CB . 10313 1 515 . 1 1 47 47 ASN ND2 N 15 112.495 0.300 . 1 . . . . 47 ASN ND2 . 10313 1 516 . 1 1 48 48 ARG H H 1 7.664 0.030 . 1 . . . . 48 ARG H . 10313 1 517 . 1 1 48 48 ARG HA H 1 4.312 0.030 . 1 . . . . 48 ARG HA . 10313 1 518 . 1 1 48 48 ARG HB2 H 1 1.661 0.030 . 2 . . . . 48 ARG HB2 . 10313 1 519 . 1 1 48 48 ARG HB3 H 1 1.499 0.030 . 2 . . . . 48 ARG HB3 . 10313 1 520 . 1 1 48 48 ARG HD2 H 1 2.972 0.030 . 1 . . . . 48 ARG HD2 . 10313 1 521 . 1 1 48 48 ARG HD3 H 1 2.972 0.030 . 1 . . . . 48 ARG HD3 . 10313 1 522 . 1 1 48 48 ARG HG2 H 1 1.433 0.030 . 2 . . . . 48 ARG HG2 . 10313 1 523 . 1 1 48 48 ARG HG3 H 1 1.552 0.030 . 2 . . . . 48 ARG HG3 . 10313 1 524 . 1 1 48 48 ARG C C 13 175.760 0.300 . 1 . . . . 48 ARG C . 10313 1 525 . 1 1 48 48 ARG CA C 13 55.431 0.300 . 1 . . . . 48 ARG CA . 10313 1 526 . 1 1 48 48 ARG CB C 13 31.113 0.300 . 1 . . . . 48 ARG CB . 10313 1 527 . 1 1 48 48 ARG CD C 13 43.032 0.300 . 1 . . . . 48 ARG CD . 10313 1 528 . 1 1 48 48 ARG CG C 13 27.381 0.300 . 1 . . . . 48 ARG CG . 10313 1 529 . 1 1 48 48 ARG N N 15 118.143 0.300 . 1 . . . . 48 ARG N . 10313 1 530 . 1 1 49 49 GLN H H 1 8.497 0.030 . 1 . . . . 49 GLN H . 10313 1 531 . 1 1 49 49 GLN HA H 1 4.472 0.030 . 1 . . . . 49 GLN HA . 10313 1 532 . 1 1 49 49 GLN HB2 H 1 1.971 0.030 . 2 . . . . 49 GLN HB2 . 10313 1 533 . 1 1 49 49 GLN HB3 H 1 2.141 0.030 . 2 . . . . 49 GLN HB3 . 10313 1 534 . 1 1 49 49 GLN HE21 H 1 7.581 0.030 . 2 . . . . 49 GLN HE21 . 10313 1 535 . 1 1 49 49 GLN HE22 H 1 6.924 0.030 . 2 . . . . 49 GLN HE22 . 10313 1 536 . 1 1 49 49 GLN HG2 H 1 2.444 0.030 . 1 . . . . 49 GLN HG2 . 10313 1 537 . 1 1 49 49 GLN HG3 H 1 2.444 0.030 . 1 . . . . 49 GLN HG3 . 10313 1 538 . 1 1 49 49 GLN C C 13 173.885 0.300 . 1 . . . . 49 GLN C . 10313 1 539 . 1 1 49 49 GLN CA C 13 54.400 0.300 . 1 . . . . 49 GLN CA . 10313 1 540 . 1 1 49 49 GLN CB C 13 28.423 0.300 . 1 . . . . 49 GLN CB . 10313 1 541 . 1 1 49 49 GLN CG C 13 33.705 0.300 . 1 . . . . 49 GLN CG . 10313 1 542 . 1 1 49 49 GLN N N 15 122.064 0.300 . 1 . . . . 49 GLN N . 10313 1 543 . 1 1 49 49 GLN NE2 N 15 113.006 0.300 . 1 . . . . 49 GLN NE2 . 10313 1 544 . 1 1 50 50 PRO HA H 1 4.663 0.030 . 1 . . . . 50 PRO HA . 10313 1 545 . 1 1 50 50 PRO HB2 H 1 2.189 0.030 . 2 . . . . 50 PRO HB2 . 10313 1 546 . 1 1 50 50 PRO HB3 H 1 1.732 0.030 . 2 . . . . 50 PRO HB3 . 10313 1 547 . 1 1 50 50 PRO HD2 H 1 3.694 0.030 . 2 . . . . 50 PRO HD2 . 10313 1 548 . 1 1 50 50 PRO HD3 H 1 3.781 0.030 . 2 . . . . 50 PRO HD3 . 10313 1 549 . 1 1 50 50 PRO HG2 H 1 2.042 0.030 . 2 . . . . 50 PRO HG2 . 10313 1 550 . 1 1 50 50 PRO HG3 H 1 1.835 0.030 . 2 . . . . 50 PRO HG3 . 10313 1 551 . 1 1 50 50 PRO C C 13 176.339 0.300 . 1 . . . . 50 PRO C . 10313 1 552 . 1 1 50 50 PRO CA C 13 62.742 0.300 . 1 . . . . 50 PRO CA . 10313 1 553 . 1 1 50 50 PRO CB C 13 33.223 0.300 . 1 . . . . 50 PRO CB . 10313 1 554 . 1 1 50 50 PRO CD C 13 50.598 0.300 . 1 . . . . 50 PRO CD . 10313 1 555 . 1 1 50 50 PRO CG C 13 26.961 0.300 . 1 . . . . 50 PRO CG . 10313 1 556 . 1 1 51 51 ALA H H 1 8.244 0.030 . 1 . . . . 51 ALA H . 10313 1 557 . 1 1 51 51 ALA HA H 1 4.583 0.030 . 1 . . . . 51 ALA HA . 10313 1 558 . 1 1 51 51 ALA HB1 H 1 1.384 0.030 . 1 . . . . 51 ALA HB . 10313 1 559 . 1 1 51 51 ALA HB2 H 1 1.384 0.030 . 1 . . . . 51 ALA HB . 10313 1 560 . 1 1 51 51 ALA HB3 H 1 1.384 0.030 . 1 . . . . 51 ALA HB . 10313 1 561 . 1 1 51 51 ALA C C 13 176.394 0.300 . 1 . . . . 51 ALA C . 10313 1 562 . 1 1 51 51 ALA CA C 13 51.497 0.300 . 1 . . . . 51 ALA CA . 10313 1 563 . 1 1 51 51 ALA CB C 13 20.532 0.300 . 1 . . . . 51 ALA CB . 10313 1 564 . 1 1 51 51 ALA N N 15 123.655 0.300 . 1 . . . . 51 ALA N . 10313 1 565 . 1 1 52 52 LYS H H 1 8.315 0.030 . 1 . . . . 52 LYS H . 10313 1 566 . 1 1 52 52 LYS HA H 1 5.131 0.030 . 1 . . . . 52 LYS HA . 10313 1 567 . 1 1 52 52 LYS HB2 H 1 1.637 0.030 . 2 . . . . 52 LYS HB2 . 10313 1 568 . 1 1 52 52 LYS HB3 H 1 1.434 0.030 . 2 . . . . 52 LYS HB3 . 10313 1 569 . 1 1 52 52 LYS HD2 H 1 1.592 0.030 . 1 . . . . 52 LYS HD2 . 10313 1 570 . 1 1 52 52 LYS HD3 H 1 1.592 0.030 . 1 . . . . 52 LYS HD3 . 10313 1 571 . 1 1 52 52 LYS HE2 H 1 2.842 0.030 . 2 . . . . 52 LYS HE2 . 10313 1 572 . 1 1 52 52 LYS HE3 H 1 2.905 0.030 . 2 . . . . 52 LYS HE3 . 10313 1 573 . 1 1 52 52 LYS HG2 H 1 1.278 0.030 . 2 . . . . 52 LYS HG2 . 10313 1 574 . 1 1 52 52 LYS HG3 H 1 1.371 0.030 . 2 . . . . 52 LYS HG3 . 10313 1 575 . 1 1 52 52 LYS C C 13 175.730 0.300 . 1 . . . . 52 LYS C . 10313 1 576 . 1 1 52 52 LYS CA C 13 55.115 0.300 . 1 . . . . 52 LYS CA . 10313 1 577 . 1 1 52 52 LYS CB C 13 35.053 0.300 . 1 . . . . 52 LYS CB . 10313 1 578 . 1 1 52 52 LYS CD C 13 29.634 0.300 . 1 . . . . 52 LYS CD . 10313 1 579 . 1 1 52 52 LYS CE C 13 42.249 0.300 . 1 . . . . 52 LYS CE . 10313 1 580 . 1 1 52 52 LYS CG C 13 25.200 0.300 . 1 . . . . 52 LYS CG . 10313 1 581 . 1 1 52 52 LYS N N 15 120.064 0.300 . 1 . . . . 52 LYS N . 10313 1 582 . 1 1 53 53 LEU H H 1 9.324 0.030 . 1 . . . . 53 LEU H . 10313 1 583 . 1 1 53 53 LEU HA H 1 4.563 0.030 . 1 . . . . 53 LEU HA . 10313 1 584 . 1 1 53 53 LEU HB2 H 1 1.452 0.030 . 2 . . . . 53 LEU HB2 . 10313 1 585 . 1 1 53 53 LEU HB3 H 1 1.284 0.030 . 2 . . . . 53 LEU HB3 . 10313 1 586 . 1 1 53 53 LEU HD11 H 1 0.437 0.030 . 1 . . . . 53 LEU HD1 . 10313 1 587 . 1 1 53 53 LEU HD12 H 1 0.437 0.030 . 1 . . . . 53 LEU HD1 . 10313 1 588 . 1 1 53 53 LEU HD13 H 1 0.437 0.030 . 1 . . . . 53 LEU HD1 . 10313 1 589 . 1 1 53 53 LEU HD21 H 1 0.545 0.030 . 1 . . . . 53 LEU HD2 . 10313 1 590 . 1 1 53 53 LEU HD22 H 1 0.545 0.030 . 1 . . . . 53 LEU HD2 . 10313 1 591 . 1 1 53 53 LEU HD23 H 1 0.545 0.030 . 1 . . . . 53 LEU HD2 . 10313 1 592 . 1 1 53 53 LEU HG H 1 1.288 0.030 . 1 . . . . 53 LEU HG . 10313 1 593 . 1 1 53 53 LEU C C 13 174.869 0.300 . 1 . . . . 53 LEU C . 10313 1 594 . 1 1 53 53 LEU CA C 13 53.463 0.300 . 1 . . . . 53 LEU CA . 10313 1 595 . 1 1 53 53 LEU CB C 13 44.264 0.300 . 1 . . . . 53 LEU CB . 10313 1 596 . 1 1 53 53 LEU CD1 C 13 24.814 0.300 . 2 . . . . 53 LEU CD1 . 10313 1 597 . 1 1 53 53 LEU CD2 C 13 24.241 0.300 . 2 . . . . 53 LEU CD2 . 10313 1 598 . 1 1 53 53 LEU CG C 13 27.415 0.300 . 1 . . . . 53 LEU CG . 10313 1 599 . 1 1 53 53 LEU N N 15 125.174 0.300 . 1 . . . . 53 LEU N . 10313 1 600 . 1 1 54 54 ASN H H 1 8.861 0.030 . 1 . . . . 54 ASN H . 10313 1 601 . 1 1 54 54 ASN HA H 1 4.750 0.030 . 1 . . . . 54 ASN HA . 10313 1 602 . 1 1 54 54 ASN HB2 H 1 3.062 0.030 . 2 . . . . 54 ASN HB2 . 10313 1 603 . 1 1 54 54 ASN HB3 H 1 2.732 0.030 . 2 . . . . 54 ASN HB3 . 10313 1 604 . 1 1 54 54 ASN HD21 H 1 7.620 0.030 . 2 . . . . 54 ASN HD21 . 10313 1 605 . 1 1 54 54 ASN HD22 H 1 6.870 0.030 . 2 . . . . 54 ASN HD22 . 10313 1 606 . 1 1 54 54 ASN C C 13 176.696 0.300 . 1 . . . . 54 ASN C . 10313 1 607 . 1 1 54 54 ASN CA C 13 52.937 0.300 . 1 . . . . 54 ASN CA . 10313 1 608 . 1 1 54 54 ASN CB C 13 38.100 0.300 . 1 . . . . 54 ASN CB . 10313 1 609 . 1 1 54 54 ASN N N 15 122.344 0.300 . 1 . . . . 54 ASN N . 10313 1 610 . 1 1 54 54 ASN ND2 N 15 111.585 0.300 . 1 . . . . 54 ASN ND2 . 10313 1 611 . 1 1 55 55 LEU H H 1 8.915 0.030 . 1 . . . . 55 LEU H . 10313 1 612 . 1 1 55 55 LEU HA H 1 3.999 0.030 . 1 . . . . 55 LEU HA . 10313 1 613 . 1 1 55 55 LEU HB2 H 1 1.709 0.030 . 2 . . . . 55 LEU HB2 . 10313 1 614 . 1 1 55 55 LEU HB3 H 1 1.332 0.030 . 2 . . . . 55 LEU HB3 . 10313 1 615 . 1 1 55 55 LEU HD11 H 1 0.749 0.030 . 1 . . . . 55 LEU HD1 . 10313 1 616 . 1 1 55 55 LEU HD12 H 1 0.749 0.030 . 1 . . . . 55 LEU HD1 . 10313 1 617 . 1 1 55 55 LEU HD13 H 1 0.749 0.030 . 1 . . . . 55 LEU HD1 . 10313 1 618 . 1 1 55 55 LEU HD21 H 1 0.851 0.030 . 1 . . . . 55 LEU HD2 . 10313 1 619 . 1 1 55 55 LEU HD22 H 1 0.851 0.030 . 1 . . . . 55 LEU HD2 . 10313 1 620 . 1 1 55 55 LEU HD23 H 1 0.851 0.030 . 1 . . . . 55 LEU HD2 . 10313 1 621 . 1 1 55 55 LEU HG H 1 1.642 0.030 . 1 . . . . 55 LEU HG . 10313 1 622 . 1 1 55 55 LEU C C 13 178.050 0.300 . 1 . . . . 55 LEU C . 10313 1 623 . 1 1 55 55 LEU CA C 13 57.503 0.300 . 1 . . . . 55 LEU CA . 10313 1 624 . 1 1 55 55 LEU CB C 13 40.912 0.300 . 1 . . . . 55 LEU CB . 10313 1 625 . 1 1 55 55 LEU CD1 C 13 22.803 0.300 . 2 . . . . 55 LEU CD1 . 10313 1 626 . 1 1 55 55 LEU CD2 C 13 26.418 0.300 . 2 . . . . 55 LEU CD2 . 10313 1 627 . 1 1 55 55 LEU CG C 13 27.220 0.300 . 1 . . . . 55 LEU CG . 10313 1 628 . 1 1 55 55 LEU N N 15 127.468 0.300 . 1 . . . . 55 LEU N . 10313 1 629 . 1 1 56 56 LEU H H 1 8.459 0.030 . 1 . . . . 56 LEU H . 10313 1 630 . 1 1 56 56 LEU HA H 1 4.102 0.030 . 1 . . . . 56 LEU HA . 10313 1 631 . 1 1 56 56 LEU HB2 H 1 1.782 0.030 . 2 . . . . 56 LEU HB2 . 10313 1 632 . 1 1 56 56 LEU HB3 H 1 1.592 0.030 . 2 . . . . 56 LEU HB3 . 10313 1 633 . 1 1 56 56 LEU HD11 H 1 0.947 0.030 . 1 . . . . 56 LEU HD1 . 10313 1 634 . 1 1 56 56 LEU HD12 H 1 0.947 0.030 . 1 . . . . 56 LEU HD1 . 10313 1 635 . 1 1 56 56 LEU HD13 H 1 0.947 0.030 . 1 . . . . 56 LEU HD1 . 10313 1 636 . 1 1 56 56 LEU HD21 H 1 0.906 0.030 . 1 . . . . 56 LEU HD2 . 10313 1 637 . 1 1 56 56 LEU HD22 H 1 0.906 0.030 . 1 . . . . 56 LEU HD2 . 10313 1 638 . 1 1 56 56 LEU HD23 H 1 0.906 0.030 . 1 . . . . 56 LEU HD2 . 10313 1 639 . 1 1 56 56 LEU HG H 1 1.732 0.030 . 1 . . . . 56 LEU HG . 10313 1 640 . 1 1 56 56 LEU C C 13 178.383 0.300 . 1 . . . . 56 LEU C . 10313 1 641 . 1 1 56 56 LEU CA C 13 58.204 0.300 . 1 . . . . 56 LEU CA . 10313 1 642 . 1 1 56 56 LEU CB C 13 42.089 0.300 . 1 . . . . 56 LEU CB . 10313 1 643 . 1 1 56 56 LEU CD1 C 13 24.756 0.300 . 2 . . . . 56 LEU CD1 . 10313 1 644 . 1 1 56 56 LEU CD2 C 13 24.524 0.300 . 2 . . . . 56 LEU CD2 . 10313 1 645 . 1 1 56 56 LEU CG C 13 27.250 0.300 . 1 . . . . 56 LEU CG . 10313 1 646 . 1 1 56 56 LEU N N 15 118.096 0.300 . 1 . . . . 56 LEU N . 10313 1 647 . 1 1 57 57 THR H H 1 7.514 0.030 . 1 . . . . 57 THR H . 10313 1 648 . 1 1 57 57 THR HA H 1 4.569 0.030 . 1 . . . . 57 THR HA . 10313 1 649 . 1 1 57 57 THR HB H 1 4.590 0.030 . 1 . . . . 57 THR HB . 10313 1 650 . 1 1 57 57 THR HG21 H 1 1.152 0.030 . 1 . . . . 57 THR HG2 . 10313 1 651 . 1 1 57 57 THR HG22 H 1 1.152 0.030 . 1 . . . . 57 THR HG2 . 10313 1 652 . 1 1 57 57 THR HG23 H 1 1.152 0.030 . 1 . . . . 57 THR HG2 . 10313 1 653 . 1 1 57 57 THR C C 13 174.502 0.300 . 1 . . . . 57 THR C . 10313 1 654 . 1 1 57 57 THR CA C 13 60.575 0.300 . 1 . . . . 57 THR CA . 10313 1 655 . 1 1 57 57 THR CB C 13 68.803 0.300 . 1 . . . . 57 THR CB . 10313 1 656 . 1 1 57 57 THR CG2 C 13 21.597 0.300 . 1 . . . . 57 THR CG2 . 10313 1 657 . 1 1 57 57 THR N N 15 104.828 0.300 . 1 . . . . 57 THR N . 10313 1 658 . 1 1 58 58 CYS H H 1 7.366 0.030 . 1 . . . . 58 CYS H . 10313 1 659 . 1 1 58 58 CYS HA H 1 5.390 0.030 . 1 . . . . 58 CYS HA . 10313 1 660 . 1 1 58 58 CYS HB2 H 1 2.833 0.030 . 2 . . . . 58 CYS HB2 . 10313 1 661 . 1 1 58 58 CYS HB3 H 1 2.422 0.030 . 2 . . . . 58 CYS HB3 . 10313 1 662 . 1 1 58 58 CYS C C 13 173.955 0.300 . 1 . . . . 58 CYS C . 10313 1 663 . 1 1 58 58 CYS CA C 13 58.240 0.300 . 1 . . . . 58 CYS CA . 10313 1 664 . 1 1 58 58 CYS CB C 13 30.664 0.300 . 1 . . . . 58 CYS CB . 10313 1 665 . 1 1 58 58 CYS N N 15 117.765 0.300 . 1 . . . . 58 CYS N . 10313 1 666 . 1 1 59 59 GLN H H 1 8.798 0.030 . 1 . . . . 59 GLN H . 10313 1 667 . 1 1 59 59 GLN HA H 1 4.712 0.030 . 1 . . . . 59 GLN HA . 10313 1 668 . 1 1 59 59 GLN HB2 H 1 2.092 0.030 . 2 . . . . 59 GLN HB2 . 10313 1 669 . 1 1 59 59 GLN HB3 H 1 1.943 0.030 . 2 . . . . 59 GLN HB3 . 10313 1 670 . 1 1 59 59 GLN HE21 H 1 7.558 0.030 . 2 . . . . 59 GLN HE21 . 10313 1 671 . 1 1 59 59 GLN HE22 H 1 6.870 0.030 . 2 . . . . 59 GLN HE22 . 10313 1 672 . 1 1 59 59 GLN HG2 H 1 2.291 0.030 . 2 . . . . 59 GLN HG2 . 10313 1 673 . 1 1 59 59 GLN HG3 H 1 2.433 0.030 . 2 . . . . 59 GLN HG3 . 10313 1 674 . 1 1 59 59 GLN C C 13 175.097 0.300 . 1 . . . . 59 GLN C . 10313 1 675 . 1 1 59 59 GLN CA C 13 54.482 0.300 . 1 . . . . 59 GLN CA . 10313 1 676 . 1 1 59 59 GLN CB C 13 31.388 0.300 . 1 . . . . 59 GLN CB . 10313 1 677 . 1 1 59 59 GLN CG C 13 33.662 0.300 . 1 . . . . 59 GLN CG . 10313 1 678 . 1 1 59 59 GLN N N 15 120.252 0.300 . 1 . . . . 59 GLN N . 10313 1 679 . 1 1 59 59 GLN NE2 N 15 111.733 0.300 . 1 . . . . 59 GLN NE2 . 10313 1 680 . 1 1 60 60 VAL H H 1 8.911 0.030 . 1 . . . . 60 VAL H . 10313 1 681 . 1 1 60 60 VAL HA H 1 4.662 0.030 . 1 . . . . 60 VAL HA . 10313 1 682 . 1 1 60 60 VAL HB H 1 2.002 0.030 . 1 . . . . 60 VAL HB . 10313 1 683 . 1 1 60 60 VAL HG11 H 1 0.703 0.030 . 1 . . . . 60 VAL HG1 . 10313 1 684 . 1 1 60 60 VAL HG12 H 1 0.703 0.030 . 1 . . . . 60 VAL HG1 . 10313 1 685 . 1 1 60 60 VAL HG13 H 1 0.703 0.030 . 1 . . . . 60 VAL HG1 . 10313 1 686 . 1 1 60 60 VAL HG21 H 1 0.785 0.030 . 1 . . . . 60 VAL HG2 . 10313 1 687 . 1 1 60 60 VAL HG22 H 1 0.785 0.030 . 1 . . . . 60 VAL HG2 . 10313 1 688 . 1 1 60 60 VAL HG23 H 1 0.785 0.030 . 1 . . . . 60 VAL HG2 . 10313 1 689 . 1 1 60 60 VAL C C 13 175.577 0.300 . 1 . . . . 60 VAL C . 10313 1 690 . 1 1 60 60 VAL CA C 13 61.752 0.300 . 1 . . . . 60 VAL CA . 10313 1 691 . 1 1 60 60 VAL CB C 13 32.487 0.300 . 1 . . . . 60 VAL CB . 10313 1 692 . 1 1 60 60 VAL CG1 C 13 20.905 0.300 . 2 . . . . 60 VAL CG1 . 10313 1 693 . 1 1 60 60 VAL CG2 C 13 20.803 0.300 . 2 . . . . 60 VAL CG2 . 10313 1 694 . 1 1 60 60 VAL N N 15 125.139 0.300 . 1 . . . . 60 VAL N . 10313 1 695 . 1 1 61 61 LYS H H 1 9.351 0.030 . 1 . . . . 61 LYS H . 10313 1 696 . 1 1 61 61 LYS HA H 1 5.153 0.030 . 1 . . . . 61 LYS HA . 10313 1 697 . 1 1 61 61 LYS HB2 H 1 1.976 0.030 . 2 . . . . 61 LYS HB2 . 10313 1 698 . 1 1 61 61 LYS HB3 H 1 1.692 0.030 . 2 . . . . 61 LYS HB3 . 10313 1 699 . 1 1 61 61 LYS HD2 H 1 1.731 0.030 . 1 . . . . 61 LYS HD2 . 10313 1 700 . 1 1 61 61 LYS HD3 H 1 1.731 0.030 . 1 . . . . 61 LYS HD3 . 10313 1 701 . 1 1 61 61 LYS HE2 H 1 2.991 0.030 . 1 . . . . 61 LYS HE2 . 10313 1 702 . 1 1 61 61 LYS HE3 H 1 2.991 0.030 . 1 . . . . 61 LYS HE3 . 10313 1 703 . 1 1 61 61 LYS HG2 H 1 1.402 0.030 . 2 . . . . 61 LYS HG2 . 10313 1 704 . 1 1 61 61 LYS HG3 H 1 1.471 0.030 . 2 . . . . 61 LYS HG3 . 10313 1 705 . 1 1 61 61 LYS C C 13 173.715 0.300 . 1 . . . . 61 LYS C . 10313 1 706 . 1 1 61 61 LYS CA C 13 52.709 0.300 . 1 . . . . 61 LYS CA . 10313 1 707 . 1 1 61 61 LYS CB C 13 35.198 0.300 . 1 . . . . 61 LYS CB . 10313 1 708 . 1 1 61 61 LYS CD C 13 29.316 0.300 . 1 . . . . 61 LYS CD . 10313 1 709 . 1 1 61 61 LYS CE C 13 42.201 0.300 . 1 . . . . 61 LYS CE . 10313 1 710 . 1 1 61 61 LYS CG C 13 24.454 0.300 . 1 . . . . 61 LYS CG . 10313 1 711 . 1 1 61 61 LYS N N 15 128.742 0.300 . 1 . . . . 61 LYS N . 10313 1 712 . 1 1 62 62 PRO HA H 1 4.634 0.030 . 1 . . . . 62 PRO HA . 10313 1 713 . 1 1 62 62 PRO HB2 H 1 2.582 0.030 . 2 . . . . 62 PRO HB2 . 10313 1 714 . 1 1 62 62 PRO HB3 H 1 1.995 0.030 . 2 . . . . 62 PRO HB3 . 10313 1 715 . 1 1 62 62 PRO HD2 H 1 3.832 0.030 . 1 . . . . 62 PRO HD2 . 10313 1 716 . 1 1 62 62 PRO HD3 H 1 3.832 0.030 . 1 . . . . 62 PRO HD3 . 10313 1 717 . 1 1 62 62 PRO HG2 H 1 1.892 0.030 . 2 . . . . 62 PRO HG2 . 10313 1 718 . 1 1 62 62 PRO HG3 H 1 2.171 0.030 . 2 . . . . 62 PRO HG3 . 10313 1 719 . 1 1 62 62 PRO C C 13 175.355 0.300 . 1 . . . . 62 PRO C . 10313 1 720 . 1 1 62 62 PRO CA C 13 63.350 0.300 . 1 . . . . 62 PRO CA . 10313 1 721 . 1 1 62 62 PRO CB C 13 32.624 0.300 . 1 . . . . 62 PRO CB . 10313 1 722 . 1 1 62 62 PRO CD C 13 51.451 0.300 . 1 . . . . 62 PRO CD . 10313 1 723 . 1 1 62 62 PRO CG C 13 27.661 0.300 . 1 . . . . 62 PRO CG . 10313 1 724 . 1 1 63 63 ASN H H 1 8.373 0.030 . 1 . . . . 63 ASN H . 10313 1 725 . 1 1 63 63 ASN HA H 1 4.837 0.030 . 1 . . . . 63 ASN HA . 10313 1 726 . 1 1 63 63 ASN HB2 H 1 3.092 0.030 . 2 . . . . 63 ASN HB2 . 10313 1 727 . 1 1 63 63 ASN HB3 H 1 2.613 0.030 . 2 . . . . 63 ASN HB3 . 10313 1 728 . 1 1 63 63 ASN HD21 H 1 7.039 0.030 . 2 . . . . 63 ASN HD21 . 10313 1 729 . 1 1 63 63 ASN HD22 H 1 8.120 0.030 . 2 . . . . 63 ASN HD22 . 10313 1 730 . 1 1 63 63 ASN C C 13 175.114 0.300 . 1 . . . . 63 ASN C . 10313 1 731 . 1 1 63 63 ASN CA C 13 53.200 0.300 . 1 . . . . 63 ASN CA . 10313 1 732 . 1 1 63 63 ASN CB C 13 40.196 0.300 . 1 . . . . 63 ASN CB . 10313 1 733 . 1 1 63 63 ASN N N 15 122.749 0.300 . 1 . . . . 63 ASN N . 10313 1 734 . 1 1 63 63 ASN ND2 N 15 114.325 0.300 . 1 . . . . 63 ASN ND2 . 10313 1 735 . 1 1 64 64 ALA H H 1 8.701 0.030 . 1 . . . . 64 ALA H . 10313 1 736 . 1 1 64 64 ALA HA H 1 4.193 0.030 . 1 . . . . 64 ALA HA . 10313 1 737 . 1 1 64 64 ALA HB1 H 1 1.441 0.030 . 1 . . . . 64 ALA HB . 10313 1 738 . 1 1 64 64 ALA HB2 H 1 1.441 0.030 . 1 . . . . 64 ALA HB . 10313 1 739 . 1 1 64 64 ALA HB3 H 1 1.441 0.030 . 1 . . . . 64 ALA HB . 10313 1 740 . 1 1 64 64 ALA C C 13 178.148 0.300 . 1 . . . . 64 ALA C . 10313 1 741 . 1 1 64 64 ALA CA C 13 53.741 0.300 . 1 . . . . 64 ALA CA . 10313 1 742 . 1 1 64 64 ALA CB C 13 19.033 0.300 . 1 . . . . 64 ALA CB . 10313 1 743 . 1 1 64 64 ALA N N 15 126.309 0.300 . 1 . . . . 64 ALA N . 10313 1 744 . 1 1 65 65 GLU H H 1 8.419 0.030 . 1 . . . . 65 GLU H . 10313 1 745 . 1 1 65 65 GLU HA H 1 4.191 0.030 . 1 . . . . 65 GLU HA . 10313 1 746 . 1 1 65 65 GLU HB2 H 1 2.042 0.030 . 1 . . . . 65 GLU HB2 . 10313 1 747 . 1 1 65 65 GLU HB3 H 1 2.042 0.030 . 1 . . . . 65 GLU HB3 . 10313 1 748 . 1 1 65 65 GLU HG2 H 1 2.223 0.030 . 1 . . . . 65 GLU HG2 . 10313 1 749 . 1 1 65 65 GLU HG3 H 1 2.223 0.030 . 1 . . . . 65 GLU HG3 . 10313 1 750 . 1 1 65 65 GLU C C 13 176.402 0.300 . 1 . . . . 65 GLU C . 10313 1 751 . 1 1 65 65 GLU CA C 13 57.941 0.300 . 1 . . . . 65 GLU CA . 10313 1 752 . 1 1 65 65 GLU CB C 13 30.615 0.300 . 1 . . . . 65 GLU CB . 10313 1 753 . 1 1 65 65 GLU CG C 13 36.620 0.300 . 1 . . . . 65 GLU CG . 10313 1 754 . 1 1 65 65 GLU N N 15 116.774 0.300 . 1 . . . . 65 GLU N . 10313 1 755 . 1 1 66 66 ASP H H 1 7.713 0.030 . 1 . . . . 66 ASP H . 10313 1 756 . 1 1 66 66 ASP HA H 1 4.592 0.030 . 1 . . . . 66 ASP HA . 10313 1 757 . 1 1 66 66 ASP HB2 H 1 2.663 0.030 . 2 . . . . 66 ASP HB2 . 10313 1 758 . 1 1 66 66 ASP HB3 H 1 2.561 0.030 . 2 . . . . 66 ASP HB3 . 10313 1 759 . 1 1 66 66 ASP C C 13 175.737 0.300 . 1 . . . . 66 ASP C . 10313 1 760 . 1 1 66 66 ASP CA C 13 53.657 0.300 . 1 . . . . 66 ASP CA . 10313 1 761 . 1 1 66 66 ASP CB C 13 42.699 0.300 . 1 . . . . 66 ASP CB . 10313 1 762 . 1 1 66 66 ASP N N 15 117.766 0.300 . 1 . . . . 66 ASP N . 10313 1 763 . 1 1 67 67 LYS H H 1 8.141 0.030 . 1 . . . . 67 LYS H . 10313 1 764 . 1 1 67 67 LYS HA H 1 3.874 0.030 . 1 . . . . 67 LYS HA . 10313 1 765 . 1 1 67 67 LYS HB2 H 1 1.767 0.030 . 2 . . . . 67 LYS HB2 . 10313 1 766 . 1 1 67 67 LYS HB3 H 1 1.622 0.030 . 2 . . . . 67 LYS HB3 . 10313 1 767 . 1 1 67 67 LYS HD2 H 1 1.641 0.030 . 2 . . . . 67 LYS HD2 . 10313 1 768 . 1 1 67 67 LYS HD3 H 1 1.589 0.030 . 2 . . . . 67 LYS HD3 . 10313 1 769 . 1 1 67 67 LYS HE2 H 1 2.958 0.030 . 1 . . . . 67 LYS HE2 . 10313 1 770 . 1 1 67 67 LYS HE3 H 1 2.958 0.030 . 1 . . . . 67 LYS HE3 . 10313 1 771 . 1 1 67 67 LYS HG2 H 1 1.331 0.030 . 1 . . . . 67 LYS HG2 . 10313 1 772 . 1 1 67 67 LYS HG3 H 1 1.331 0.030 . 1 . . . . 67 LYS HG3 . 10313 1 773 . 1 1 67 67 LYS C C 13 175.128 0.300 . 1 . . . . 67 LYS C . 10313 1 774 . 1 1 67 67 LYS CA C 13 57.063 0.300 . 1 . . . . 67 LYS CA . 10313 1 775 . 1 1 67 67 LYS CB C 13 31.582 0.300 . 1 . . . . 67 LYS CB . 10313 1 776 . 1 1 67 67 LYS CD C 13 28.894 0.300 . 1 . . . . 67 LYS CD . 10313 1 777 . 1 1 67 67 LYS CE C 13 41.963 0.300 . 1 . . . . 67 LYS CE . 10313 1 778 . 1 1 67 67 LYS CG C 13 24.938 0.300 . 1 . . . . 67 LYS CG . 10313 1 779 . 1 1 67 67 LYS N N 15 119.379 0.300 . 1 . . . . 67 LYS N . 10313 1 780 . 1 1 68 68 LYS H H 1 8.053 0.030 . 1 . . . . 68 LYS H . 10313 1 781 . 1 1 68 68 LYS HA H 1 3.941 0.030 . 1 . . . . 68 LYS HA . 10313 1 782 . 1 1 68 68 LYS HB2 H 1 1.588 0.030 . 2 . . . . 68 LYS HB2 . 10313 1 783 . 1 1 68 68 LYS HB3 H 1 1.684 0.030 . 2 . . . . 68 LYS HB3 . 10313 1 784 . 1 1 68 68 LYS HD2 H 1 1.272 0.030 . 2 . . . . 68 LYS HD2 . 10313 1 785 . 1 1 68 68 LYS HD3 H 1 1.452 0.030 . 2 . . . . 68 LYS HD3 . 10313 1 786 . 1 1 68 68 LYS HE2 H 1 2.774 0.030 . 2 . . . . 68 LYS HE2 . 10313 1 787 . 1 1 68 68 LYS HE3 H 1 2.741 0.030 . 2 . . . . 68 LYS HE3 . 10313 1 788 . 1 1 68 68 LYS HG2 H 1 1.044 0.030 . 2 . . . . 68 LYS HG2 . 10313 1 789 . 1 1 68 68 LYS HG3 H 1 1.183 0.030 . 2 . . . . 68 LYS HG3 . 10313 1 790 . 1 1 68 68 LYS C C 13 175.312 0.300 . 1 . . . . 68 LYS C . 10313 1 791 . 1 1 68 68 LYS CA C 13 56.835 0.300 . 1 . . . . 68 LYS CA . 10313 1 792 . 1 1 68 68 LYS CB C 13 33.511 0.300 . 1 . . . . 68 LYS CB . 10313 1 793 . 1 1 68 68 LYS CD C 13 29.080 0.300 . 1 . . . . 68 LYS CD . 10313 1 794 . 1 1 68 68 LYS CE C 13 41.470 0.300 . 1 . . . . 68 LYS CE . 10313 1 795 . 1 1 68 68 LYS CG C 13 24.802 0.300 . 1 . . . . 68 LYS CG . 10313 1 796 . 1 1 68 68 LYS N N 15 113.943 0.300 . 1 . . . . 68 LYS N . 10313 1 797 . 1 1 69 69 SER H H 1 8.367 0.030 . 1 . . . . 69 SER H . 10313 1 798 . 1 1 69 69 SER HA H 1 5.420 0.030 . 1 . . . . 69 SER HA . 10313 1 799 . 1 1 69 69 SER HB2 H 1 4.146 0.030 . 2 . . . . 69 SER HB2 . 10313 1 800 . 1 1 69 69 SER HB3 H 1 4.072 0.030 . 2 . . . . 69 SER HB3 . 10313 1 801 . 1 1 69 69 SER C C 13 173.397 0.300 . 1 . . . . 69 SER C . 10313 1 802 . 1 1 69 69 SER CA C 13 58.503 0.300 . 1 . . . . 69 SER CA . 10313 1 803 . 1 1 69 69 SER CB C 13 64.715 0.300 . 1 . . . . 69 SER CB . 10313 1 804 . 1 1 69 69 SER N N 15 116.851 0.300 . 1 . . . . 69 SER N . 10313 1 805 . 1 1 70 70 PHE H H 1 8.600 0.030 . 1 . . . . 70 PHE H . 10313 1 806 . 1 1 70 70 PHE HA H 1 5.172 0.030 . 1 . . . . 70 PHE HA . 10313 1 807 . 1 1 70 70 PHE HB2 H 1 3.351 0.030 . 2 . . . . 70 PHE HB2 . 10313 1 808 . 1 1 70 70 PHE HB3 H 1 2.724 0.030 . 2 . . . . 70 PHE HB3 . 10313 1 809 . 1 1 70 70 PHE HD1 H 1 6.913 0.030 . 1 . . . . 70 PHE HD1 . 10313 1 810 . 1 1 70 70 PHE HD2 H 1 6.913 0.030 . 1 . . . . 70 PHE HD2 . 10313 1 811 . 1 1 70 70 PHE HE1 H 1 6.632 0.030 . 1 . . . . 70 PHE HE1 . 10313 1 812 . 1 1 70 70 PHE HE2 H 1 6.632 0.030 . 1 . . . . 70 PHE HE2 . 10313 1 813 . 1 1 70 70 PHE HZ H 1 6.331 0.030 . 1 . . . . 70 PHE HZ . 10313 1 814 . 1 1 70 70 PHE C C 13 171.045 0.300 . 1 . . . . 70 PHE C . 10313 1 815 . 1 1 70 70 PHE CA C 13 56.425 0.300 . 1 . . . . 70 PHE CA . 10313 1 816 . 1 1 70 70 PHE CB C 13 41.408 0.300 . 1 . . . . 70 PHE CB . 10313 1 817 . 1 1 70 70 PHE CD1 C 13 132.376 0.300 . 1 . . . . 70 PHE CD1 . 10313 1 818 . 1 1 70 70 PHE CD2 C 13 132.376 0.300 . 1 . . . . 70 PHE CD2 . 10313 1 819 . 1 1 70 70 PHE CE1 C 13 129.862 0.300 . 1 . . . . 70 PHE CE1 . 10313 1 820 . 1 1 70 70 PHE CE2 C 13 129.862 0.300 . 1 . . . . 70 PHE CE2 . 10313 1 821 . 1 1 70 70 PHE CZ C 13 129.024 0.300 . 1 . . . . 70 PHE CZ . 10313 1 822 . 1 1 70 70 PHE N N 15 118.095 0.300 . 1 . . . . 70 PHE N . 10313 1 823 . 1 1 71 71 ASP H H 1 9.007 0.030 . 1 . . . . 71 ASP H . 10313 1 824 . 1 1 71 71 ASP HA H 1 5.955 0.030 . 1 . . . . 71 ASP HA . 10313 1 825 . 1 1 71 71 ASP HB2 H 1 2.642 0.030 . 2 . . . . 71 ASP HB2 . 10313 1 826 . 1 1 71 71 ASP HB3 H 1 2.422 0.030 . 2 . . . . 71 ASP HB3 . 10313 1 827 . 1 1 71 71 ASP C C 13 175.375 0.300 . 1 . . . . 71 ASP C . 10313 1 828 . 1 1 71 71 ASP CA C 13 52.024 0.300 . 1 . . . . 71 ASP CA . 10313 1 829 . 1 1 71 71 ASP CB C 13 43.812 0.300 . 1 . . . . 71 ASP CB . 10313 1 830 . 1 1 71 71 ASP N N 15 120.649 0.300 . 1 . . . . 71 ASP N . 10313 1 831 . 1 1 72 72 LEU H H 1 9.179 0.030 . 1 . . . . 72 LEU H . 10313 1 832 . 1 1 72 72 LEU HA H 1 5.502 0.030 . 1 . . . . 72 LEU HA . 10313 1 833 . 1 1 72 72 LEU HB2 H 1 1.698 0.030 . 1 . . . . 72 LEU HB2 . 10313 1 834 . 1 1 72 72 LEU HB3 H 1 1.698 0.030 . 1 . . . . 72 LEU HB3 . 10313 1 835 . 1 1 72 72 LEU HD11 H 1 0.910 0.030 . 1 . . . . 72 LEU HD1 . 10313 1 836 . 1 1 72 72 LEU HD12 H 1 0.910 0.030 . 1 . . . . 72 LEU HD1 . 10313 1 837 . 1 1 72 72 LEU HD13 H 1 0.910 0.030 . 1 . . . . 72 LEU HD1 . 10313 1 838 . 1 1 72 72 LEU HD21 H 1 0.837 0.030 . 1 . . . . 72 LEU HD2 . 10313 1 839 . 1 1 72 72 LEU HD22 H 1 0.837 0.030 . 1 . . . . 72 LEU HD2 . 10313 1 840 . 1 1 72 72 LEU HD23 H 1 0.837 0.030 . 1 . . . . 72 LEU HD2 . 10313 1 841 . 1 1 72 72 LEU HG H 1 1.691 0.030 . 1 . . . . 72 LEU HG . 10313 1 842 . 1 1 72 72 LEU C C 13 175.482 0.300 . 1 . . . . 72 LEU C . 10313 1 843 . 1 1 72 72 LEU CA C 13 53.446 0.300 . 1 . . . . 72 LEU CA . 10313 1 844 . 1 1 72 72 LEU CB C 13 45.233 0.300 . 1 . . . . 72 LEU CB . 10313 1 845 . 1 1 72 72 LEU CD1 C 13 26.337 0.300 . 2 . . . . 72 LEU CD1 . 10313 1 846 . 1 1 72 72 LEU CD2 C 13 26.206 0.300 . 2 . . . . 72 LEU CD2 . 10313 1 847 . 1 1 72 72 LEU CG C 13 28.319 0.300 . 1 . . . . 72 LEU CG . 10313 1 848 . 1 1 72 72 LEU N N 15 121.621 0.300 . 1 . . . . 72 LEU N . 10313 1 849 . 1 1 73 73 ILE H H 1 9.161 0.030 . 1 . . . . 73 ILE H . 10313 1 850 . 1 1 73 73 ILE HA H 1 4.787 0.030 . 1 . . . . 73 ILE HA . 10313 1 851 . 1 1 73 73 ILE HB H 1 1.809 0.030 . 1 . . . . 73 ILE HB . 10313 1 852 . 1 1 73 73 ILE HD11 H 1 0.872 0.030 . 1 . . . . 73 ILE HD1 . 10313 1 853 . 1 1 73 73 ILE HD12 H 1 0.872 0.030 . 1 . . . . 73 ILE HD1 . 10313 1 854 . 1 1 73 73 ILE HD13 H 1 0.872 0.030 . 1 . . . . 73 ILE HD1 . 10313 1 855 . 1 1 73 73 ILE HG12 H 1 1.241 0.030 . 2 . . . . 73 ILE HG12 . 10313 1 856 . 1 1 73 73 ILE HG13 H 1 1.452 0.030 . 2 . . . . 73 ILE HG13 . 10313 1 857 . 1 1 73 73 ILE HG21 H 1 0.889 0.030 . 1 . . . . 73 ILE HG2 . 10313 1 858 . 1 1 73 73 ILE HG22 H 1 0.889 0.030 . 1 . . . . 73 ILE HG2 . 10313 1 859 . 1 1 73 73 ILE HG23 H 1 0.889 0.030 . 1 . . . . 73 ILE HG2 . 10313 1 860 . 1 1 73 73 ILE C C 13 176.591 0.300 . 1 . . . . 73 ILE C . 10313 1 861 . 1 1 73 73 ILE CA C 13 61.102 0.300 . 1 . . . . 73 ILE CA . 10313 1 862 . 1 1 73 73 ILE CB C 13 39.877 0.300 . 1 . . . . 73 ILE CB . 10313 1 863 . 1 1 73 73 ILE CD1 C 13 14.593 0.300 . 1 . . . . 73 ILE CD1 . 10313 1 864 . 1 1 73 73 ILE CG1 C 13 27.908 0.300 . 1 . . . . 73 ILE CG1 . 10313 1 865 . 1 1 73 73 ILE CG2 C 13 18.015 0.300 . 1 . . . . 73 ILE CG2 . 10313 1 866 . 1 1 73 73 ILE N N 15 125.424 0.300 . 1 . . . . 73 ILE N . 10313 1 867 . 1 1 74 74 SER H H 1 8.953 0.030 . 1 . . . . 74 SER H . 10313 1 868 . 1 1 74 74 SER HA H 1 5.201 0.030 . 1 . . . . 74 SER HA . 10313 1 869 . 1 1 74 74 SER HB2 H 1 4.273 0.030 . 2 . . . . 74 SER HB2 . 10313 1 870 . 1 1 74 74 SER HB3 H 1 3.902 0.030 . 2 . . . . 74 SER HB3 . 10313 1 871 . 1 1 74 74 SER C C 13 174.563 0.300 . 1 . . . . 74 SER C . 10313 1 872 . 1 1 74 74 SER CA C 13 56.291 0.300 . 1 . . . . 74 SER CA . 10313 1 873 . 1 1 74 74 SER CB C 13 65.639 0.300 . 1 . . . . 74 SER CB . 10313 1 874 . 1 1 74 74 SER N N 15 123.800 0.300 . 1 . . . . 74 SER N . 10313 1 875 . 1 1 75 75 HIS HA H 1 4.324 0.030 . 1 . . . . 75 HIS HA . 10313 1 876 . 1 1 75 75 HIS HB2 H 1 3.222 0.030 . 1 . . . . 75 HIS HB2 . 10313 1 877 . 1 1 75 75 HIS HB3 H 1 3.222 0.030 . 1 . . . . 75 HIS HB3 . 10313 1 878 . 1 1 75 75 HIS HD2 H 1 7.067 0.030 . 1 . . . . 75 HIS HD2 . 10313 1 879 . 1 1 75 75 HIS CA C 13 58.487 0.300 . 1 . . . . 75 HIS CA . 10313 1 880 . 1 1 75 75 HIS CB C 13 29.382 0.300 . 1 . . . . 75 HIS CB . 10313 1 881 . 1 1 75 75 HIS CD2 C 13 119.769 0.300 . 1 . . . . 75 HIS CD2 . 10313 1 882 . 1 1 76 76 ASN H H 1 8.198 0.030 . 1 . . . . 76 ASN H . 10313 1 883 . 1 1 76 76 ASN HA H 1 4.530 0.030 . 1 . . . . 76 ASN HA . 10313 1 884 . 1 1 76 76 ASN HB2 H 1 2.882 0.030 . 2 . . . . 76 ASN HB2 . 10313 1 885 . 1 1 76 76 ASN HB3 H 1 2.731 0.030 . 2 . . . . 76 ASN HB3 . 10313 1 886 . 1 1 76 76 ASN HD21 H 1 6.849 0.030 . 2 . . . . 76 ASN HD21 . 10313 1 887 . 1 1 76 76 ASN HD22 H 1 7.523 0.030 . 2 . . . . 76 ASN HD22 . 10313 1 888 . 1 1 76 76 ASN C C 13 174.286 0.300 . 1 . . . . 76 ASN C . 10313 1 889 . 1 1 76 76 ASN CA C 13 53.446 0.300 . 1 . . . . 76 ASN CA . 10313 1 890 . 1 1 76 76 ASN CB C 13 38.721 0.300 . 1 . . . . 76 ASN CB . 10313 1 891 . 1 1 76 76 ASN N N 15 113.684 0.300 . 1 . . . . 76 ASN N . 10313 1 892 . 1 1 76 76 ASN ND2 N 15 111.897 0.300 . 1 . . . . 76 ASN ND2 . 10313 1 893 . 1 1 77 77 ARG H H 1 7.673 0.030 . 1 . . . . 77 ARG H . 10313 1 894 . 1 1 77 77 ARG HA H 1 4.412 0.030 . 1 . . . . 77 ARG HA . 10313 1 895 . 1 1 77 77 ARG HB2 H 1 1.531 0.030 . 2 . . . . 77 ARG HB2 . 10313 1 896 . 1 1 77 77 ARG HB3 H 1 1.652 0.030 . 2 . . . . 77 ARG HB3 . 10313 1 897 . 1 1 77 77 ARG HD2 H 1 2.979 0.030 . 2 . . . . 77 ARG HD2 . 10313 1 898 . 1 1 77 77 ARG HD3 H 1 2.940 0.030 . 2 . . . . 77 ARG HD3 . 10313 1 899 . 1 1 77 77 ARG HG2 H 1 1.190 0.030 . 1 . . . . 77 ARG HG2 . 10313 1 900 . 1 1 77 77 ARG HG3 H 1 1.190 0.030 . 1 . . . . 77 ARG HG3 . 10313 1 901 . 1 1 77 77 ARG C C 13 173.930 0.300 . 1 . . . . 77 ARG C . 10313 1 902 . 1 1 77 77 ARG CA C 13 55.570 0.300 . 1 . . . . 77 ARG CA . 10313 1 903 . 1 1 77 77 ARG CB C 13 32.593 0.300 . 1 . . . . 77 ARG CB . 10313 1 904 . 1 1 77 77 ARG CD C 13 43.059 0.300 . 1 . . . . 77 ARG CD . 10313 1 905 . 1 1 77 77 ARG CG C 13 26.264 0.300 . 1 . . . . 77 ARG CG . 10313 1 906 . 1 1 77 77 ARG N N 15 119.463 0.300 . 1 . . . . 77 ARG N . 10313 1 907 . 1 1 78 78 THR H H 1 8.301 0.030 . 1 . . . . 78 THR H . 10313 1 908 . 1 1 78 78 THR HA H 1 4.737 0.030 . 1 . . . . 78 THR HA . 10313 1 909 . 1 1 78 78 THR HB H 1 3.582 0.030 . 1 . . . . 78 THR HB . 10313 1 910 . 1 1 78 78 THR HG21 H 1 0.544 0.030 . 1 . . . . 78 THR HG2 . 10313 1 911 . 1 1 78 78 THR HG22 H 1 0.544 0.030 . 1 . . . . 78 THR HG2 . 10313 1 912 . 1 1 78 78 THR HG23 H 1 0.544 0.030 . 1 . . . . 78 THR HG2 . 10313 1 913 . 1 1 78 78 THR C C 13 172.665 0.300 . 1 . . . . 78 THR C . 10313 1 914 . 1 1 78 78 THR CA C 13 62.208 0.300 . 1 . . . . 78 THR CA . 10313 1 915 . 1 1 78 78 THR CB C 13 69.868 0.300 . 1 . . . . 78 THR CB . 10313 1 916 . 1 1 78 78 THR CG2 C 13 21.669 0.300 . 1 . . . . 78 THR CG2 . 10313 1 917 . 1 1 78 78 THR N N 15 118.898 0.300 . 1 . . . . 78 THR N . 10313 1 918 . 1 1 79 79 TYR H H 1 9.194 0.030 . 1 . . . . 79 TYR H . 10313 1 919 . 1 1 79 79 TYR HA H 1 4.092 0.030 . 1 . . . . 79 TYR HA . 10313 1 920 . 1 1 79 79 TYR HB2 H 1 2.832 0.030 . 2 . . . . 79 TYR HB2 . 10313 1 921 . 1 1 79 79 TYR HB3 H 1 2.182 0.030 . 2 . . . . 79 TYR HB3 . 10313 1 922 . 1 1 79 79 TYR HD1 H 1 6.862 0.030 . 1 . . . . 79 TYR HD1 . 10313 1 923 . 1 1 79 79 TYR HD2 H 1 6.862 0.030 . 1 . . . . 79 TYR HD2 . 10313 1 924 . 1 1 79 79 TYR HE1 H 1 6.634 0.030 . 1 . . . . 79 TYR HE1 . 10313 1 925 . 1 1 79 79 TYR HE2 H 1 6.634 0.030 . 1 . . . . 79 TYR HE2 . 10313 1 926 . 1 1 79 79 TYR C C 13 173.461 0.300 . 1 . . . . 79 TYR C . 10313 1 927 . 1 1 79 79 TYR CA C 13 56.291 0.300 . 1 . . . . 79 TYR CA . 10313 1 928 . 1 1 79 79 TYR CB C 13 41.060 0.300 . 1 . . . . 79 TYR CB . 10313 1 929 . 1 1 79 79 TYR CD1 C 13 132.850 0.300 . 1 . . . . 79 TYR CD1 . 10313 1 930 . 1 1 79 79 TYR CD2 C 13 132.850 0.300 . 1 . . . . 79 TYR CD2 . 10313 1 931 . 1 1 79 79 TYR CE1 C 13 117.811 0.300 . 1 . . . . 79 TYR CE1 . 10313 1 932 . 1 1 79 79 TYR CE2 C 13 117.811 0.300 . 1 . . . . 79 TYR CE2 . 10313 1 933 . 1 1 79 79 TYR N N 15 127.020 0.300 . 1 . . . . 79 TYR N . 10313 1 934 . 1 1 80 80 HIS H H 1 8.673 0.030 . 1 . . . . 80 HIS H . 10313 1 935 . 1 1 80 80 HIS HA H 1 5.211 0.030 . 1 . . . . 80 HIS HA . 10313 1 936 . 1 1 80 80 HIS HB2 H 1 3.085 0.030 . 2 . . . . 80 HIS HB2 . 10313 1 937 . 1 1 80 80 HIS HB3 H 1 2.744 0.030 . 2 . . . . 80 HIS HB3 . 10313 1 938 . 1 1 80 80 HIS HD2 H 1 6.803 0.030 . 1 . . . . 80 HIS HD2 . 10313 1 939 . 1 1 80 80 HIS HE1 H 1 7.802 0.030 . 1 . . . . 80 HIS HE1 . 10313 1 940 . 1 1 80 80 HIS C C 13 173.618 0.300 . 1 . . . . 80 HIS C . 10313 1 941 . 1 1 80 80 HIS CA C 13 54.746 0.300 . 1 . . . . 80 HIS CA . 10313 1 942 . 1 1 80 80 HIS CB C 13 29.974 0.300 . 1 . . . . 80 HIS CB . 10313 1 943 . 1 1 80 80 HIS CD2 C 13 125.867 0.300 . 1 . . . . 80 HIS CD2 . 10313 1 944 . 1 1 80 80 HIS CE1 C 13 138.700 0.300 . 1 . . . . 80 HIS CE1 . 10313 1 945 . 1 1 80 80 HIS N N 15 122.332 0.300 . 1 . . . . 80 HIS N . 10313 1 946 . 1 1 81 81 PHE H H 1 8.773 0.030 . 1 . . . . 81 PHE H . 10313 1 947 . 1 1 81 81 PHE HA H 1 6.039 0.030 . 1 . . . . 81 PHE HA . 10313 1 948 . 1 1 81 81 PHE HB2 H 1 2.235 0.030 . 2 . . . . 81 PHE HB2 . 10313 1 949 . 1 1 81 81 PHE HB3 H 1 1.372 0.030 . 2 . . . . 81 PHE HB3 . 10313 1 950 . 1 1 81 81 PHE HD1 H 1 6.883 0.030 . 1 . . . . 81 PHE HD1 . 10313 1 951 . 1 1 81 81 PHE HD2 H 1 6.883 0.030 . 1 . . . . 81 PHE HD2 . 10313 1 952 . 1 1 81 81 PHE HE1 H 1 6.805 0.030 . 1 . . . . 81 PHE HE1 . 10313 1 953 . 1 1 81 81 PHE HE2 H 1 6.805 0.030 . 1 . . . . 81 PHE HE2 . 10313 1 954 . 1 1 81 81 PHE HZ H 1 6.674 0.030 . 1 . . . . 81 PHE HZ . 10313 1 955 . 1 1 81 81 PHE C C 13 176.509 0.300 . 1 . . . . 81 PHE C . 10313 1 956 . 1 1 81 81 PHE CA C 13 56.572 0.300 . 1 . . . . 81 PHE CA . 10313 1 957 . 1 1 81 81 PHE CB C 13 43.811 0.300 . 1 . . . . 81 PHE CB . 10313 1 958 . 1 1 81 81 PHE CD1 C 13 132.742 0.300 . 1 . . . . 81 PHE CD1 . 10313 1 959 . 1 1 81 81 PHE CD2 C 13 132.742 0.300 . 1 . . . . 81 PHE CD2 . 10313 1 960 . 1 1 81 81 PHE CE1 C 13 129.755 0.300 . 1 . . . . 81 PHE CE1 . 10313 1 961 . 1 1 81 81 PHE CE2 C 13 129.755 0.300 . 1 . . . . 81 PHE CE2 . 10313 1 962 . 1 1 81 81 PHE CZ C 13 127.167 0.300 . 1 . . . . 81 PHE CZ . 10313 1 963 . 1 1 81 81 PHE N N 15 121.055 0.300 . 1 . . . . 81 PHE N . 10313 1 964 . 1 1 82 82 GLN H H 1 9.062 0.030 . 1 . . . . 82 GLN H . 10313 1 965 . 1 1 82 82 GLN HA H 1 4.762 0.030 . 1 . . . . 82 GLN HA . 10313 1 966 . 1 1 82 82 GLN HB2 H 1 1.032 0.030 . 2 . . . . 82 GLN HB2 . 10313 1 967 . 1 1 82 82 GLN HB3 H 1 1.093 0.030 . 2 . . . . 82 GLN HB3 . 10313 1 968 . 1 1 82 82 GLN HE21 H 1 6.099 0.030 . 2 . . . . 82 GLN HE21 . 10313 1 969 . 1 1 82 82 GLN HE22 H 1 6.005 0.030 . 2 . . . . 82 GLN HE22 . 10313 1 970 . 1 1 82 82 GLN HG2 H 1 1.791 0.030 . 2 . . . . 82 GLN HG2 . 10313 1 971 . 1 1 82 82 GLN HG3 H 1 1.953 0.030 . 2 . . . . 82 GLN HG3 . 10313 1 972 . 1 1 82 82 GLN C C 13 174.285 0.300 . 1 . . . . 82 GLN C . 10313 1 973 . 1 1 82 82 GLN CA C 13 55.729 0.300 . 1 . . . . 82 GLN CA . 10313 1 974 . 1 1 82 82 GLN CB C 13 32.799 0.300 . 1 . . . . 82 GLN CB . 10313 1 975 . 1 1 82 82 GLN CG C 13 34.483 0.300 . 1 . . . . 82 GLN CG . 10313 1 976 . 1 1 82 82 GLN N N 15 119.709 0.300 . 1 . . . . 82 GLN N . 10313 1 977 . 1 1 82 82 GLN NE2 N 15 108.847 0.300 . 1 . . . . 82 GLN NE2 . 10313 1 978 . 1 1 83 83 ALA H H 1 8.896 0.030 . 1 . . . . 83 ALA H . 10313 1 979 . 1 1 83 83 ALA HA H 1 4.887 0.030 . 1 . . . . 83 ALA HA . 10313 1 980 . 1 1 83 83 ALA HB1 H 1 1.842 0.030 . 1 . . . . 83 ALA HB . 10313 1 981 . 1 1 83 83 ALA HB2 H 1 1.842 0.030 . 1 . . . . 83 ALA HB . 10313 1 982 . 1 1 83 83 ALA HB3 H 1 1.842 0.030 . 1 . . . . 83 ALA HB . 10313 1 983 . 1 1 83 83 ALA C C 13 177.599 0.300 . 1 . . . . 83 ALA C . 10313 1 984 . 1 1 83 83 ALA CA C 13 50.672 0.300 . 1 . . . . 83 ALA CA . 10313 1 985 . 1 1 83 83 ALA CB C 13 20.922 0.300 . 1 . . . . 83 ALA CB . 10313 1 986 . 1 1 83 83 ALA N N 15 126.962 0.300 . 1 . . . . 83 ALA N . 10313 1 987 . 1 1 84 84 GLU H H 1 9.979 0.030 . 1 . . . . 84 GLU H . 10313 1 988 . 1 1 84 84 GLU HA H 1 3.910 0.030 . 1 . . . . 84 GLU HA . 10313 1 989 . 1 1 84 84 GLU HB2 H 1 2.101 0.030 . 2 . . . . 84 GLU HB2 . 10313 1 990 . 1 1 84 84 GLU HB3 H 1 2.072 0.030 . 2 . . . . 84 GLU HB3 . 10313 1 991 . 1 1 84 84 GLU HG2 H 1 2.452 0.030 . 2 . . . . 84 GLU HG2 . 10313 1 992 . 1 1 84 84 GLU HG3 H 1 2.053 0.030 . 2 . . . . 84 GLU HG3 . 10313 1 993 . 1 1 84 84 GLU C C 13 176.160 0.300 . 1 . . . . 84 GLU C . 10313 1 994 . 1 1 84 84 GLU CA C 13 59.645 0.300 . 1 . . . . 84 GLU CA . 10313 1 995 . 1 1 84 84 GLU CB C 13 30.374 0.300 . 1 . . . . 84 GLU CB . 10313 1 996 . 1 1 84 84 GLU CG C 13 38.236 0.300 . 1 . . . . 84 GLU CG . 10313 1 997 . 1 1 84 84 GLU N N 15 118.124 0.300 . 1 . . . . 84 GLU N . 10313 1 998 . 1 1 85 85 ASP H H 1 7.551 0.030 . 1 . . . . 85 ASP H . 10313 1 999 . 1 1 85 85 ASP HA H 1 4.524 0.030 . 1 . . . . 85 ASP HA . 10313 1 1000 . 1 1 85 85 ASP HB2 H 1 3.021 0.030 . 2 . . . . 85 ASP HB2 . 10313 1 1001 . 1 1 85 85 ASP HB3 H 1 2.973 0.030 . 2 . . . . 85 ASP HB3 . 10313 1 1002 . 1 1 85 85 ASP C C 13 175.504 0.300 . 1 . . . . 85 ASP C . 10313 1 1003 . 1 1 85 85 ASP CA C 13 52.936 0.300 . 1 . . . . 85 ASP CA . 10313 1 1004 . 1 1 85 85 ASP CB C 13 42.415 0.300 . 1 . . . . 85 ASP CB . 10313 1 1005 . 1 1 85 85 ASP N N 15 111.191 0.300 . 1 . . . . 85 ASP N . 10313 1 1006 . 1 1 86 86 GLU H H 1 9.110 0.030 . 1 . . . . 86 GLU H . 10313 1 1007 . 1 1 86 86 GLU HA H 1 4.132 0.030 . 1 . . . . 86 GLU HA . 10313 1 1008 . 1 1 86 86 GLU HB2 H 1 2.114 0.030 . 1 . . . . 86 GLU HB2 . 10313 1 1009 . 1 1 86 86 GLU HB3 H 1 2.114 0.030 . 1 . . . . 86 GLU HB3 . 10313 1 1010 . 1 1 86 86 GLU HG2 H 1 2.343 0.030 . 1 . . . . 86 GLU HG2 . 10313 1 1011 . 1 1 86 86 GLU HG3 H 1 2.343 0.030 . 1 . . . . 86 GLU HG3 . 10313 1 1012 . 1 1 86 86 GLU C C 13 178.468 0.300 . 1 . . . . 86 GLU C . 10313 1 1013 . 1 1 86 86 GLU CA C 13 60.277 0.300 . 1 . . . . 86 GLU CA . 10313 1 1014 . 1 1 86 86 GLU CB C 13 29.634 0.300 . 1 . . . . 86 GLU CB . 10313 1 1015 . 1 1 86 86 GLU CG C 13 37.114 0.300 . 1 . . . . 86 GLU CG . 10313 1 1016 . 1 1 86 86 GLU N N 15 119.741 0.300 . 1 . . . . 86 GLU N . 10313 1 1017 . 1 1 87 87 GLN H H 1 8.455 0.030 . 1 . . . . 87 GLN H . 10313 1 1018 . 1 1 87 87 GLN HA H 1 4.232 0.030 . 1 . . . . 87 GLN HA . 10313 1 1019 . 1 1 87 87 GLN HB2 H 1 2.251 0.030 . 2 . . . . 87 GLN HB2 . 10313 1 1020 . 1 1 87 87 GLN HB3 H 1 2.144 0.030 . 2 . . . . 87 GLN HB3 . 10313 1 1021 . 1 1 87 87 GLN HE21 H 1 7.679 0.030 . 2 . . . . 87 GLN HE21 . 10313 1 1022 . 1 1 87 87 GLN HE22 H 1 6.922 0.030 . 2 . . . . 87 GLN HE22 . 10313 1 1023 . 1 1 87 87 GLN HG2 H 1 2.489 0.030 . 1 . . . . 87 GLN HG2 . 10313 1 1024 . 1 1 87 87 GLN HG3 H 1 2.489 0.030 . 1 . . . . 87 GLN HG3 . 10313 1 1025 . 1 1 87 87 GLN C C 13 179.062 0.300 . 1 . . . . 87 GLN C . 10313 1 1026 . 1 1 87 87 GLN CA C 13 59.135 0.300 . 1 . . . . 87 GLN CA . 10313 1 1027 . 1 1 87 87 GLN CB C 13 27.946 0.300 . 1 . . . . 87 GLN CB . 10313 1 1028 . 1 1 87 87 GLN CG C 13 34.511 0.300 . 1 . . . . 87 GLN CG . 10313 1 1029 . 1 1 87 87 GLN N N 15 120.345 0.300 . 1 . . . . 87 GLN N . 10313 1 1030 . 1 1 87 87 GLN NE2 N 15 112.725 0.300 . 1 . . . . 87 GLN NE2 . 10313 1 1031 . 1 1 88 88 ASP H H 1 9.112 0.030 . 1 . . . . 88 ASP H . 10313 1 1032 . 1 1 88 88 ASP HA H 1 4.787 0.030 . 1 . . . . 88 ASP HA . 10313 1 1033 . 1 1 88 88 ASP HB2 H 1 3.129 0.030 . 2 . . . . 88 ASP HB2 . 10313 1 1034 . 1 1 88 88 ASP HB3 H 1 2.798 0.030 . 2 . . . . 88 ASP HB3 . 10313 1 1035 . 1 1 88 88 ASP C C 13 178.165 0.300 . 1 . . . . 88 ASP C . 10313 1 1036 . 1 1 88 88 ASP CA C 13 56.555 0.300 . 1 . . . . 88 ASP CA . 10313 1 1037 . 1 1 88 88 ASP CB C 13 41.496 0.300 . 1 . . . . 88 ASP CB . 10313 1 1038 . 1 1 88 88 ASP N N 15 122.354 0.300 . 1 . . . . 88 ASP N . 10313 1 1039 . 1 1 89 89 TYR H H 1 8.157 0.030 . 1 . . . . 89 TYR H . 10313 1 1040 . 1 1 89 89 TYR HA H 1 4.012 0.030 . 1 . . . . 89 TYR HA . 10313 1 1041 . 1 1 89 89 TYR HB2 H 1 3.448 0.030 . 2 . . . . 89 TYR HB2 . 10313 1 1042 . 1 1 89 89 TYR HB3 H 1 3.092 0.030 . 2 . . . . 89 TYR HB3 . 10313 1 1043 . 1 1 89 89 TYR HD1 H 1 7.011 0.030 . 1 . . . . 89 TYR HD1 . 10313 1 1044 . 1 1 89 89 TYR HD2 H 1 7.011 0.030 . 1 . . . . 89 TYR HD2 . 10313 1 1045 . 1 1 89 89 TYR HE1 H 1 6.740 0.030 . 1 . . . . 89 TYR HE1 . 10313 1 1046 . 1 1 89 89 TYR HE2 H 1 6.740 0.030 . 1 . . . . 89 TYR HE2 . 10313 1 1047 . 1 1 89 89 TYR C C 13 175.208 0.300 . 1 . . . . 89 TYR C . 10313 1 1048 . 1 1 89 89 TYR CA C 13 62.700 0.300 . 1 . . . . 89 TYR CA . 10313 1 1049 . 1 1 89 89 TYR CB C 13 38.388 0.300 . 1 . . . . 89 TYR CB . 10313 1 1050 . 1 1 89 89 TYR CD1 C 13 132.813 0.300 . 1 . . . . 89 TYR CD1 . 10313 1 1051 . 1 1 89 89 TYR CD2 C 13 132.813 0.300 . 1 . . . . 89 TYR CD2 . 10313 1 1052 . 1 1 89 89 TYR CE1 C 13 118.850 0.300 . 1 . . . . 89 TYR CE1 . 10313 1 1053 . 1 1 89 89 TYR CE2 C 13 118.850 0.300 . 1 . . . . 89 TYR CE2 . 10313 1 1054 . 1 1 89 89 TYR N N 15 119.778 0.300 . 1 . . . . 89 TYR N . 10313 1 1055 . 1 1 90 90 VAL H H 1 7.562 0.030 . 1 . . . . 90 VAL H . 10313 1 1056 . 1 1 90 90 VAL HA H 1 3.261 0.030 . 1 . . . . 90 VAL HA . 10313 1 1057 . 1 1 90 90 VAL HB H 1 2.151 0.030 . 1 . . . . 90 VAL HB . 10313 1 1058 . 1 1 90 90 VAL HG11 H 1 1.253 0.030 . 1 . . . . 90 VAL HG1 . 10313 1 1059 . 1 1 90 90 VAL HG12 H 1 1.253 0.030 . 1 . . . . 90 VAL HG1 . 10313 1 1060 . 1 1 90 90 VAL HG13 H 1 1.253 0.030 . 1 . . . . 90 VAL HG1 . 10313 1 1061 . 1 1 90 90 VAL HG21 H 1 0.943 0.030 . 1 . . . . 90 VAL HG2 . 10313 1 1062 . 1 1 90 90 VAL HG22 H 1 0.943 0.030 . 1 . . . . 90 VAL HG2 . 10313 1 1063 . 1 1 90 90 VAL HG23 H 1 0.943 0.030 . 1 . . . . 90 VAL HG2 . 10313 1 1064 . 1 1 90 90 VAL C C 13 179.031 0.300 . 1 . . . . 90 VAL C . 10313 1 1065 . 1 1 90 90 VAL CA C 13 66.054 0.300 . 1 . . . . 90 VAL CA . 10313 1 1066 . 1 1 90 90 VAL CB C 13 31.853 0.300 . 1 . . . . 90 VAL CB . 10313 1 1067 . 1 1 90 90 VAL CG1 C 13 22.708 0.300 . 2 . . . . 90 VAL CG1 . 10313 1 1068 . 1 1 90 90 VAL CG2 C 13 21.142 0.300 . 2 . . . . 90 VAL CG2 . 10313 1 1069 . 1 1 90 90 VAL N N 15 117.451 0.300 . 1 . . . . 90 VAL N . 10313 1 1070 . 1 1 91 91 ALA H H 1 7.545 0.030 . 1 . . . . 91 ALA H . 10313 1 1071 . 1 1 91 91 ALA HA H 1 3.156 0.030 . 1 . . . . 91 ALA HA . 10313 1 1072 . 1 1 91 91 ALA HB1 H 1 1.276 0.030 . 1 . . . . 91 ALA HB . 10313 1 1073 . 1 1 91 91 ALA HB2 H 1 1.276 0.030 . 1 . . . . 91 ALA HB . 10313 1 1074 . 1 1 91 91 ALA HB3 H 1 1.276 0.030 . 1 . . . . 91 ALA HB . 10313 1 1075 . 1 1 91 91 ALA C C 13 178.911 0.300 . 1 . . . . 91 ALA C . 10313 1 1076 . 1 1 91 91 ALA CA C 13 55.115 0.300 . 1 . . . . 91 ALA CA . 10313 1 1077 . 1 1 91 91 ALA CB C 13 18.456 0.300 . 1 . . . . 91 ALA CB . 10313 1 1078 . 1 1 91 91 ALA N N 15 123.248 0.300 . 1 . . . . 91 ALA N . 10313 1 1079 . 1 1 92 92 TRP H H 1 8.592 0.030 . 1 . . . . 92 TRP H . 10313 1 1080 . 1 1 92 92 TRP HA H 1 3.872 0.030 . 1 . . . . 92 TRP HA . 10313 1 1081 . 1 1 92 92 TRP HB2 H 1 3.042 0.030 . 2 . . . . 92 TRP HB2 . 10313 1 1082 . 1 1 92 92 TRP HB3 H 1 2.631 0.030 . 2 . . . . 92 TRP HB3 . 10313 1 1083 . 1 1 92 92 TRP HD1 H 1 7.185 0.030 . 1 . . . . 92 TRP HD1 . 10313 1 1084 . 1 1 92 92 TRP HE1 H 1 9.746 0.030 . 1 . . . . 92 TRP HE1 . 10313 1 1085 . 1 1 92 92 TRP HE3 H 1 7.093 0.030 . 1 . . . . 92 TRP HE3 . 10313 1 1086 . 1 1 92 92 TRP HH2 H 1 6.535 0.030 . 1 . . . . 92 TRP HH2 . 10313 1 1087 . 1 1 92 92 TRP HZ2 H 1 6.804 0.030 . 1 . . . . 92 TRP HZ2 . 10313 1 1088 . 1 1 92 92 TRP HZ3 H 1 6.562 0.030 . 1 . . . . 92 TRP HZ3 . 10313 1 1089 . 1 1 92 92 TRP C C 13 178.422 0.300 . 1 . . . . 92 TRP C . 10313 1 1090 . 1 1 92 92 TRP CA C 13 61.559 0.300 . 1 . . . . 92 TRP CA . 10313 1 1091 . 1 1 92 92 TRP CB C 13 28.975 0.300 . 1 . . . . 92 TRP CB . 10313 1 1092 . 1 1 92 92 TRP CD1 C 13 128.409 0.300 . 1 . . . . 92 TRP CD1 . 10313 1 1093 . 1 1 92 92 TRP CE3 C 13 119.201 0.300 . 1 . . . . 92 TRP CE3 . 10313 1 1094 . 1 1 92 92 TRP CH2 C 13 123.646 0.300 . 1 . . . . 92 TRP CH2 . 10313 1 1095 . 1 1 92 92 TRP CZ2 C 13 113.479 0.300 . 1 . . . . 92 TRP CZ2 . 10313 1 1096 . 1 1 92 92 TRP CZ3 C 13 120.754 0.300 . 1 . . . . 92 TRP CZ3 . 10313 1 1097 . 1 1 92 92 TRP N N 15 117.057 0.300 . 1 . . . . 92 TRP N . 10313 1 1098 . 1 1 92 92 TRP NE1 N 15 129.105 0.300 . 1 . . . . 92 TRP NE1 . 10313 1 1099 . 1 1 93 93 ILE H H 1 8.138 0.030 . 1 . . . . 93 ILE H . 10313 1 1100 . 1 1 93 93 ILE HA H 1 3.213 0.030 . 1 . . . . 93 ILE HA . 10313 1 1101 . 1 1 93 93 ILE HB H 1 1.412 0.030 . 1 . . . . 93 ILE HB . 10313 1 1102 . 1 1 93 93 ILE HD11 H 1 -0.098 0.030 . 1 . . . . 93 ILE HD1 . 10313 1 1103 . 1 1 93 93 ILE HD12 H 1 -0.098 0.030 . 1 . . . . 93 ILE HD1 . 10313 1 1104 . 1 1 93 93 ILE HD13 H 1 -0.098 0.030 . 1 . . . . 93 ILE HD1 . 10313 1 1105 . 1 1 93 93 ILE HG12 H 1 0.552 0.030 . 2 . . . . 93 ILE HG12 . 10313 1 1106 . 1 1 93 93 ILE HG13 H 1 0.640 0.030 . 2 . . . . 93 ILE HG13 . 10313 1 1107 . 1 1 93 93 ILE HG21 H 1 0.467 0.030 . 1 . . . . 93 ILE HG2 . 10313 1 1108 . 1 1 93 93 ILE HG22 H 1 0.467 0.030 . 1 . . . . 93 ILE HG2 . 10313 1 1109 . 1 1 93 93 ILE HG23 H 1 0.467 0.030 . 1 . . . . 93 ILE HG2 . 10313 1 1110 . 1 1 93 93 ILE C C 13 179.537 0.300 . 1 . . . . 93 ILE C . 10313 1 1111 . 1 1 93 93 ILE CA C 13 63.297 0.300 . 1 . . . . 93 ILE CA . 10313 1 1112 . 1 1 93 93 ILE CB C 13 35.578 0.300 . 1 . . . . 93 ILE CB . 10313 1 1113 . 1 1 93 93 ILE CD1 C 13 9.526 0.300 . 1 . . . . 93 ILE CD1 . 10313 1 1114 . 1 1 93 93 ILE CG1 C 13 26.675 0.300 . 1 . . . . 93 ILE CG1 . 10313 1 1115 . 1 1 93 93 ILE CG2 C 13 17.305 0.300 . 1 . . . . 93 ILE CG2 . 10313 1 1116 . 1 1 93 93 ILE N N 15 116.414 0.300 . 1 . . . . 93 ILE N . 10313 1 1117 . 1 1 94 94 SER H H 1 7.790 0.030 . 1 . . . . 94 SER H . 10313 1 1118 . 1 1 94 94 SER HA H 1 4.062 0.030 . 1 . . . . 94 SER HA . 10313 1 1119 . 1 1 94 94 SER HB2 H 1 3.707 0.030 . 2 . . . . 94 SER HB2 . 10313 1 1120 . 1 1 94 94 SER HB3 H 1 3.630 0.030 . 2 . . . . 94 SER HB3 . 10313 1 1121 . 1 1 94 94 SER C C 13 175.257 0.300 . 1 . . . . 94 SER C . 10313 1 1122 . 1 1 94 94 SER CA C 13 62.261 0.300 . 1 . . . . 94 SER CA . 10313 1 1123 . 1 1 94 94 SER CB C 13 62.942 0.300 . 1 . . . . 94 SER CB . 10313 1 1124 . 1 1 94 94 SER N N 15 117.660 0.300 . 1 . . . . 94 SER N . 10313 1 1125 . 1 1 95 95 VAL H H 1 8.223 0.030 . 1 . . . . 95 VAL H . 10313 1 1126 . 1 1 95 95 VAL HA H 1 3.924 0.030 . 1 . . . . 95 VAL HA . 10313 1 1127 . 1 1 95 95 VAL HB H 1 1.734 0.030 . 1 . . . . 95 VAL HB . 10313 1 1128 . 1 1 95 95 VAL HG11 H 1 0.543 0.030 . 1 . . . . 95 VAL HG1 . 10313 1 1129 . 1 1 95 95 VAL HG12 H 1 0.543 0.030 . 1 . . . . 95 VAL HG1 . 10313 1 1130 . 1 1 95 95 VAL HG13 H 1 0.543 0.030 . 1 . . . . 95 VAL HG1 . 10313 1 1131 . 1 1 95 95 VAL HG21 H 1 0.738 0.030 . 1 . . . . 95 VAL HG2 . 10313 1 1132 . 1 1 95 95 VAL HG22 H 1 0.738 0.030 . 1 . . . . 95 VAL HG2 . 10313 1 1133 . 1 1 95 95 VAL HG23 H 1 0.738 0.030 . 1 . . . . 95 VAL HG2 . 10313 1 1134 . 1 1 95 95 VAL C C 13 178.371 0.300 . 1 . . . . 95 VAL C . 10313 1 1135 . 1 1 95 95 VAL CA C 13 65.826 0.300 . 1 . . . . 95 VAL CA . 10313 1 1136 . 1 1 95 95 VAL CB C 13 31.073 0.300 . 1 . . . . 95 VAL CB . 10313 1 1137 . 1 1 95 95 VAL CG1 C 13 20.997 0.300 . 2 . . . . 95 VAL CG1 . 10313 1 1138 . 1 1 95 95 VAL CG2 C 13 22.810 0.300 . 2 . . . . 95 VAL CG2 . 10313 1 1139 . 1 1 95 95 VAL N N 15 121.215 0.300 . 1 . . . . 95 VAL N . 10313 1 1140 . 1 1 96 96 LEU H H 1 8.584 0.030 . 1 . . . . 96 LEU H . 10313 1 1141 . 1 1 96 96 LEU HA H 1 3.863 0.030 . 1 . . . . 96 LEU HA . 10313 1 1142 . 1 1 96 96 LEU HB2 H 1 1.791 0.030 . 2 . . . . 96 LEU HB2 . 10313 1 1143 . 1 1 96 96 LEU HB3 H 1 1.171 0.030 . 2 . . . . 96 LEU HB3 . 10313 1 1144 . 1 1 96 96 LEU HD11 H 1 0.512 0.030 . 1 . . . . 96 LEU HD1 . 10313 1 1145 . 1 1 96 96 LEU HD12 H 1 0.512 0.030 . 1 . . . . 96 LEU HD1 . 10313 1 1146 . 1 1 96 96 LEU HD13 H 1 0.512 0.030 . 1 . . . . 96 LEU HD1 . 10313 1 1147 . 1 1 96 96 LEU HD21 H 1 0.835 0.030 . 1 . . . . 96 LEU HD2 . 10313 1 1148 . 1 1 96 96 LEU HD22 H 1 0.835 0.030 . 1 . . . . 96 LEU HD2 . 10313 1 1149 . 1 1 96 96 LEU HD23 H 1 0.835 0.030 . 1 . . . . 96 LEU HD2 . 10313 1 1150 . 1 1 96 96 LEU HG H 1 2.050 0.030 . 1 . . . . 96 LEU HG . 10313 1 1151 . 1 1 96 96 LEU C C 13 178.589 0.300 . 1 . . . . 96 LEU C . 10313 1 1152 . 1 1 96 96 LEU CA C 13 58.503 0.300 . 1 . . . . 96 LEU CA . 10313 1 1153 . 1 1 96 96 LEU CB C 13 41.866 0.300 . 1 . . . . 96 LEU CB . 10313 1 1154 . 1 1 96 96 LEU CD1 C 13 27.176 0.300 . 2 . . . . 96 LEU CD1 . 10313 1 1155 . 1 1 96 96 LEU CD2 C 13 24.850 0.300 . 2 . . . . 96 LEU CD2 . 10313 1 1156 . 1 1 96 96 LEU CG C 13 27.286 0.300 . 1 . . . . 96 LEU CG . 10313 1 1157 . 1 1 96 96 LEU N N 15 119.797 0.300 . 1 . . . . 96 LEU N . 10313 1 1158 . 1 1 97 97 THR H H 1 7.723 0.030 . 1 . . . . 97 THR H . 10313 1 1159 . 1 1 97 97 THR HA H 1 3.835 0.030 . 1 . . . . 97 THR HA . 10313 1 1160 . 1 1 97 97 THR HB H 1 4.282 0.030 . 1 . . . . 97 THR HB . 10313 1 1161 . 1 1 97 97 THR HG21 H 1 1.222 0.030 . 1 . . . . 97 THR HG2 . 10313 1 1162 . 1 1 97 97 THR HG22 H 1 1.222 0.030 . 1 . . . . 97 THR HG2 . 10313 1 1163 . 1 1 97 97 THR HG23 H 1 1.222 0.030 . 1 . . . . 97 THR HG2 . 10313 1 1164 . 1 1 97 97 THR C C 13 176.435 0.300 . 1 . . . . 97 THR C . 10313 1 1165 . 1 1 97 97 THR CA C 13 66.413 0.300 . 1 . . . . 97 THR CA . 10313 1 1166 . 1 1 97 97 THR CB C 13 69.005 0.300 . 1 . . . . 97 THR CB . 10313 1 1167 . 1 1 97 97 THR CG2 C 13 21.054 0.300 . 1 . . . . 97 THR CG2 . 10313 1 1168 . 1 1 97 97 THR N N 15 113.523 0.300 . 1 . . . . 97 THR N . 10313 1 1169 . 1 1 98 98 ASN H H 1 8.564 0.030 . 1 . . . . 98 ASN H . 10313 1 1170 . 1 1 98 98 ASN HA H 1 4.392 0.030 . 1 . . . . 98 ASN HA . 10313 1 1171 . 1 1 98 98 ASN HB2 H 1 2.682 0.030 . 2 . . . . 98 ASN HB2 . 10313 1 1172 . 1 1 98 98 ASN HB3 H 1 2.885 0.030 . 2 . . . . 98 ASN HB3 . 10313 1 1173 . 1 1 98 98 ASN HD21 H 1 6.804 0.030 . 2 . . . . 98 ASN HD21 . 10313 1 1174 . 1 1 98 98 ASN HD22 H 1 7.550 0.030 . 2 . . . . 98 ASN HD22 . 10313 1 1175 . 1 1 98 98 ASN C C 13 177.805 0.300 . 1 . . . . 98 ASN C . 10313 1 1176 . 1 1 98 98 ASN CA C 13 55.448 0.300 . 1 . . . . 98 ASN CA . 10313 1 1177 . 1 1 98 98 ASN CB C 13 37.525 0.300 . 1 . . . . 98 ASN CB . 10313 1 1178 . 1 1 98 98 ASN N N 15 121.808 0.300 . 1 . . . . 98 ASN N . 10313 1 1179 . 1 1 98 98 ASN ND2 N 15 111.252 0.300 . 1 . . . . 98 ASN ND2 . 10313 1 1180 . 1 1 99 99 SER H H 1 8.840 0.030 . 1 . . . . 99 SER H . 10313 1 1181 . 1 1 99 99 SER HA H 1 4.071 0.030 . 1 . . . . 99 SER HA . 10313 1 1182 . 1 1 99 99 SER HB2 H 1 3.680 0.030 . 2 . . . . 99 SER HB2 . 10313 1 1183 . 1 1 99 99 SER HB3 H 1 4.012 0.030 . 2 . . . . 99 SER HB3 . 10313 1 1184 . 1 1 99 99 SER C C 13 177.143 0.300 . 1 . . . . 99 SER C . 10313 1 1185 . 1 1 99 99 SER CA C 13 61.928 0.300 . 1 . . . . 99 SER CA . 10313 1 1186 . 1 1 99 99 SER CB C 13 63.824 0.300 . 1 . . . . 99 SER CB . 10313 1 1187 . 1 1 99 99 SER N N 15 115.788 0.300 . 1 . . . . 99 SER N . 10313 1 1188 . 1 1 100 100 LYS H H 1 7.836 0.030 . 1 . . . . 100 LYS H . 10313 1 1189 . 1 1 100 100 LYS HA H 1 3.832 0.030 . 1 . . . . 100 LYS HA . 10313 1 1190 . 1 1 100 100 LYS HB2 H 1 2.040 0.030 . 2 . . . . 100 LYS HB2 . 10313 1 1191 . 1 1 100 100 LYS HB3 H 1 1.782 0.030 . 2 . . . . 100 LYS HB3 . 10313 1 1192 . 1 1 100 100 LYS HD2 H 1 1.771 0.030 . 2 . . . . 100 LYS HD2 . 10313 1 1193 . 1 1 100 100 LYS HD3 H 1 1.724 0.030 . 2 . . . . 100 LYS HD3 . 10313 1 1194 . 1 1 100 100 LYS HE2 H 1 3.133 0.030 . 1 . . . . 100 LYS HE2 . 10313 1 1195 . 1 1 100 100 LYS HE3 H 1 3.133 0.030 . 1 . . . . 100 LYS HE3 . 10313 1 1196 . 1 1 100 100 LYS HG2 H 1 1.473 0.030 . 2 . . . . 100 LYS HG2 . 10313 1 1197 . 1 1 100 100 LYS HG3 H 1 1.332 0.030 . 2 . . . . 100 LYS HG3 . 10313 1 1198 . 1 1 100 100 LYS C C 13 177.518 0.300 . 1 . . . . 100 LYS C . 10313 1 1199 . 1 1 100 100 LYS CA C 13 59.925 0.300 . 1 . . . . 100 LYS CA . 10313 1 1200 . 1 1 100 100 LYS CB C 13 32.264 0.300 . 1 . . . . 100 LYS CB . 10313 1 1201 . 1 1 100 100 LYS CD C 13 29.141 0.300 . 1 . . . . 100 LYS CD . 10313 1 1202 . 1 1 100 100 LYS CE C 13 42.311 0.300 . 1 . . . . 100 LYS CE . 10313 1 1203 . 1 1 100 100 LYS CG C 13 25.524 0.300 . 1 . . . . 100 LYS CG . 10313 1 1204 . 1 1 100 100 LYS N N 15 119.599 0.300 . 1 . . . . 100 LYS N . 10313 1 1205 . 1 1 101 101 GLU H H 1 7.934 0.030 . 1 . . . . 101 GLU H . 10313 1 1206 . 1 1 101 101 GLU HA H 1 4.070 0.030 . 1 . . . . 101 GLU HA . 10313 1 1207 . 1 1 101 101 GLU HB2 H 1 2.111 0.030 . 1 . . . . 101 GLU HB2 . 10313 1 1208 . 1 1 101 101 GLU HB3 H 1 2.111 0.030 . 1 . . . . 101 GLU HB3 . 10313 1 1209 . 1 1 101 101 GLU HG2 H 1 2.391 0.030 . 2 . . . . 101 GLU HG2 . 10313 1 1210 . 1 1 101 101 GLU HG3 H 1 2.287 0.030 . 2 . . . . 101 GLU HG3 . 10313 1 1211 . 1 1 101 101 GLU C C 13 179.271 0.300 . 1 . . . . 101 GLU C . 10313 1 1212 . 1 1 101 101 GLU CA C 13 59.153 0.300 . 1 . . . . 101 GLU CA . 10313 1 1213 . 1 1 101 101 GLU CB C 13 29.346 0.300 . 1 . . . . 101 GLU CB . 10313 1 1214 . 1 1 101 101 GLU CG C 13 36.127 0.300 . 1 . . . . 101 GLU CG . 10313 1 1215 . 1 1 101 101 GLU N N 15 118.220 0.300 . 1 . . . . 101 GLU N . 10313 1 1216 . 1 1 102 102 GLU H H 1 8.295 0.030 . 1 . . . . 102 GLU H . 10313 1 1217 . 1 1 102 102 GLU HA H 1 4.065 0.030 . 1 . . . . 102 GLU HA . 10313 1 1218 . 1 1 102 102 GLU HB2 H 1 2.114 0.030 . 1 . . . . 102 GLU HB2 . 10313 1 1219 . 1 1 102 102 GLU HB3 H 1 2.114 0.030 . 1 . . . . 102 GLU HB3 . 10313 1 1220 . 1 1 102 102 GLU HG2 H 1 2.382 0.030 . 2 . . . . 102 GLU HG2 . 10313 1 1221 . 1 1 102 102 GLU HG3 H 1 2.222 0.030 . 2 . . . . 102 GLU HG3 . 10313 1 1222 . 1 1 102 102 GLU C C 13 178.374 0.300 . 1 . . . . 102 GLU C . 10313 1 1223 . 1 1 102 102 GLU CA C 13 58.925 0.300 . 1 . . . . 102 GLU CA . 10313 1 1224 . 1 1 102 102 GLU CB C 13 29.922 0.300 . 1 . . . . 102 GLU CB . 10313 1 1225 . 1 1 102 102 GLU CG C 13 36.635 0.300 . 1 . . . . 102 GLU CG . 10313 1 1226 . 1 1 102 102 GLU N N 15 120.548 0.300 . 1 . . . . 102 GLU N . 10313 1 1227 . 1 1 103 103 ALA H H 1 8.222 0.030 . 1 . . . . 103 ALA H . 10313 1 1228 . 1 1 103 103 ALA HA H 1 4.174 0.030 . 1 . . . . 103 ALA HA . 10313 1 1229 . 1 1 103 103 ALA HB1 H 1 1.521 0.030 . 1 . . . . 103 ALA HB . 10313 1 1230 . 1 1 103 103 ALA HB2 H 1 1.521 0.030 . 1 . . . . 103 ALA HB . 10313 1 1231 . 1 1 103 103 ALA HB3 H 1 1.521 0.030 . 1 . . . . 103 ALA HB . 10313 1 1232 . 1 1 103 103 ALA C C 13 179.815 0.300 . 1 . . . . 103 ALA C . 10313 1 1233 . 1 1 103 103 ALA CA C 13 54.465 0.300 . 1 . . . . 103 ALA CA . 10313 1 1234 . 1 1 103 103 ALA CB C 13 18.319 0.300 . 1 . . . . 103 ALA CB . 10313 1 1235 . 1 1 103 103 ALA N N 15 122.612 0.300 . 1 . . . . 103 ALA N . 10313 1 1236 . 1 1 104 104 LEU H H 1 8.112 0.030 . 1 . . . . 104 LEU H . 10313 1 1237 . 1 1 104 104 LEU HA H 1 4.122 0.030 . 1 . . . . 104 LEU HA . 10313 1 1238 . 1 1 104 104 LEU HB2 H 1 1.873 0.030 . 2 . . . . 104 LEU HB2 . 10313 1 1239 . 1 1 104 104 LEU HB3 H 1 1.672 0.030 . 2 . . . . 104 LEU HB3 . 10313 1 1240 . 1 1 104 104 LEU HD11 H 1 0.953 0.030 . 1 . . . . 104 LEU HD1 . 10313 1 1241 . 1 1 104 104 LEU HD12 H 1 0.953 0.030 . 1 . . . . 104 LEU HD1 . 10313 1 1242 . 1 1 104 104 LEU HD13 H 1 0.953 0.030 . 1 . . . . 104 LEU HD1 . 10313 1 1243 . 1 1 104 104 LEU HD21 H 1 0.939 0.030 . 1 . . . . 104 LEU HD2 . 10313 1 1244 . 1 1 104 104 LEU HD22 H 1 0.939 0.030 . 1 . . . . 104 LEU HD2 . 10313 1 1245 . 1 1 104 104 LEU HD23 H 1 0.939 0.030 . 1 . . . . 104 LEU HD2 . 10313 1 1246 . 1 1 104 104 LEU HG H 1 1.751 0.030 . 1 . . . . 104 LEU HG . 10313 1 1247 . 1 1 104 104 LEU C C 13 178.915 0.300 . 1 . . . . 104 LEU C . 10313 1 1248 . 1 1 104 104 LEU CA C 13 57.309 0.300 . 1 . . . . 104 LEU CA . 10313 1 1249 . 1 1 104 104 LEU CB C 13 42.350 0.300 . 1 . . . . 104 LEU CB . 10313 1 1250 . 1 1 104 104 LEU CD1 C 13 25.339 0.300 . 2 . . . . 104 LEU CD1 . 10313 1 1251 . 1 1 104 104 LEU CD2 C 13 24.081 0.300 . 2 . . . . 104 LEU CD2 . 10313 1 1252 . 1 1 104 104 LEU CG C 13 26.963 0.300 . 1 . . . . 104 LEU CG . 10313 1 1253 . 1 1 104 104 LEU N N 15 119.697 0.300 . 1 . . . . 104 LEU N . 10313 1 1254 . 1 1 105 105 THR H H 1 7.910 0.030 . 1 . . . . 105 THR H . 10313 1 1255 . 1 1 105 105 THR HA H 1 4.163 0.030 . 1 . . . . 105 THR HA . 10313 1 1256 . 1 1 105 105 THR HB H 1 4.313 0.030 . 1 . . . . 105 THR HB . 10313 1 1257 . 1 1 105 105 THR HG21 H 1 1.256 0.030 . 1 . . . . 105 THR HG2 . 10313 1 1258 . 1 1 105 105 THR HG22 H 1 1.256 0.030 . 1 . . . . 105 THR HG2 . 10313 1 1259 . 1 1 105 105 THR HG23 H 1 1.256 0.030 . 1 . . . . 105 THR HG2 . 10313 1 1260 . 1 1 105 105 THR C C 13 175.920 0.300 . 1 . . . . 105 THR C . 10313 1 1261 . 1 1 105 105 THR CA C 13 64.210 0.300 . 1 . . . . 105 THR CA . 10313 1 1262 . 1 1 105 105 THR CB C 13 69.388 0.300 . 1 . . . . 105 THR CB . 10313 1 1263 . 1 1 105 105 THR CG2 C 13 21.708 0.300 . 1 . . . . 105 THR CG2 . 10313 1 1264 . 1 1 105 105 THR N N 15 113.064 0.300 . 1 . . . . 105 THR N . 10313 1 1265 . 1 1 106 106 MET H H 1 7.943 0.030 . 1 . . . . 106 MET H . 10313 1 1266 . 1 1 106 106 MET HA H 1 4.339 0.030 . 1 . . . . 106 MET HA . 10313 1 1267 . 1 1 106 106 MET HB2 H 1 2.063 0.030 . 1 . . . . 106 MET HB2 . 10313 1 1268 . 1 1 106 106 MET HB3 H 1 2.063 0.030 . 1 . . . . 106 MET HB3 . 10313 1 1269 . 1 1 106 106 MET HE1 H 1 2.041 0.030 . 1 . . . . 106 MET HE . 10313 1 1270 . 1 1 106 106 MET HE2 H 1 2.041 0.030 . 1 . . . . 106 MET HE . 10313 1 1271 . 1 1 106 106 MET HE3 H 1 2.041 0.030 . 1 . . . . 106 MET HE . 10313 1 1272 . 1 1 106 106 MET HG2 H 1 2.611 0.030 . 2 . . . . 106 MET HG2 . 10313 1 1273 . 1 1 106 106 MET HG3 H 1 2.544 0.030 . 2 . . . . 106 MET HG3 . 10313 1 1274 . 1 1 106 106 MET C C 13 176.645 0.300 . 1 . . . . 106 MET C . 10313 1 1275 . 1 1 106 106 MET CA C 13 56.484 0.300 . 1 . . . . 106 MET CA . 10313 1 1276 . 1 1 106 106 MET CB C 13 32.429 0.300 . 1 . . . . 106 MET CB . 10313 1 1277 . 1 1 106 106 MET CE C 13 16.887 0.300 . 1 . . . . 106 MET CE . 10313 1 1278 . 1 1 106 106 MET CG C 13 32.082 0.300 . 1 . . . . 106 MET CG . 10313 1 1279 . 1 1 106 106 MET N N 15 120.582 0.300 . 1 . . . . 106 MET N . 10313 1 1280 . 1 1 107 107 ALA H H 1 7.893 0.030 . 1 . . . . 107 ALA H . 10313 1 1281 . 1 1 107 107 ALA HA H 1 4.201 0.030 . 1 . . . . 107 ALA HA . 10313 1 1282 . 1 1 107 107 ALA HB1 H 1 1.302 0.030 . 1 . . . . 107 ALA HB . 10313 1 1283 . 1 1 107 107 ALA HB2 H 1 1.302 0.030 . 1 . . . . 107 ALA HB . 10313 1 1284 . 1 1 107 107 ALA HB3 H 1 1.302 0.030 . 1 . . . . 107 ALA HB . 10313 1 1285 . 1 1 107 107 ALA C C 13 177.811 0.300 . 1 . . . . 107 ALA C . 10313 1 1286 . 1 1 107 107 ALA CA C 13 53.165 0.300 . 1 . . . . 107 ALA CA . 10313 1 1287 . 1 1 107 107 ALA CB C 13 18.836 0.300 . 1 . . . . 107 ALA CB . 10313 1 1288 . 1 1 107 107 ALA N N 15 122.969 0.300 . 1 . . . . 107 ALA N . 10313 1 1289 . 1 1 108 108 PHE H H 1 7.987 0.030 . 1 . . . . 108 PHE H . 10313 1 1290 . 1 1 108 108 PHE HA H 1 4.656 0.030 . 1 . . . . 108 PHE HA . 10313 1 1291 . 1 1 108 108 PHE HB2 H 1 3.202 0.030 . 2 . . . . 108 PHE HB2 . 10313 1 1292 . 1 1 108 108 PHE HB3 H 1 3.071 0.030 . 2 . . . . 108 PHE HB3 . 10313 1 1293 . 1 1 108 108 PHE HD1 H 1 7.291 0.030 . 1 . . . . 108 PHE HD1 . 10313 1 1294 . 1 1 108 108 PHE HD2 H 1 7.291 0.030 . 1 . . . . 108 PHE HD2 . 10313 1 1295 . 1 1 108 108 PHE HE1 H 1 7.273 0.030 . 1 . . . . 108 PHE HE1 . 10313 1 1296 . 1 1 108 108 PHE HE2 H 1 7.273 0.030 . 1 . . . . 108 PHE HE2 . 10313 1 1297 . 1 1 108 108 PHE HZ H 1 7.334 0.030 . 1 . . . . 108 PHE HZ . 10313 1 1298 . 1 1 108 108 PHE C C 13 175.999 0.300 . 1 . . . . 108 PHE C . 10313 1 1299 . 1 1 108 108 PHE CA C 13 57.924 0.300 . 1 . . . . 108 PHE CA . 10313 1 1300 . 1 1 108 108 PHE CB C 13 39.463 0.300 . 1 . . . . 108 PHE CB . 10313 1 1301 . 1 1 108 108 PHE CD1 C 13 131.951 0.300 . 1 . . . . 108 PHE CD1 . 10313 1 1302 . 1 1 108 108 PHE CD2 C 13 131.951 0.300 . 1 . . . . 108 PHE CD2 . 10313 1 1303 . 1 1 108 108 PHE CE1 C 13 129.755 0.300 . 1 . . . . 108 PHE CE1 . 10313 1 1304 . 1 1 108 108 PHE CE2 C 13 129.755 0.300 . 1 . . . . 108 PHE CE2 . 10313 1 1305 . 1 1 108 108 PHE CZ C 13 131.392 0.300 . 1 . . . . 108 PHE CZ . 10313 1 1306 . 1 1 108 108 PHE N N 15 118.228 0.300 . 1 . . . . 108 PHE N . 10313 1 1307 . 1 1 109 109 SER H H 1 8.107 0.030 . 1 . . . . 109 SER H . 10313 1 1308 . 1 1 109 109 SER HA H 1 4.478 0.030 . 1 . . . . 109 SER HA . 10313 1 1309 . 1 1 109 109 SER HB2 H 1 3.863 0.030 . 1 . . . . 109 SER HB2 . 10313 1 1310 . 1 1 109 109 SER HB3 H 1 3.863 0.030 . 1 . . . . 109 SER HB3 . 10313 1 1311 . 1 1 109 109 SER C C 13 174.381 0.300 . 1 . . . . 109 SER C . 10313 1 1312 . 1 1 109 109 SER CA C 13 58.328 0.300 . 1 . . . . 109 SER CA . 10313 1 1313 . 1 1 109 109 SER CB C 13 64.155 0.300 . 1 . . . . 109 SER CB . 10313 1 1314 . 1 1 109 109 SER N N 15 117.111 0.300 . 1 . . . . 109 SER N . 10313 1 1315 . 1 1 110 110 GLY H H 1 7.858 0.030 . 1 . . . . 110 GLY H . 10313 1 1316 . 1 1 110 110 GLY HA2 H 1 4.092 0.030 . 2 . . . . 110 GLY HA2 . 10313 1 1317 . 1 1 110 110 GLY HA3 H 1 4.049 0.030 . 2 . . . . 110 GLY HA3 . 10313 1 1318 . 1 1 110 110 GLY C C 13 171.584 0.300 . 1 . . . . 110 GLY C . 10313 1 1319 . 1 1 110 110 GLY CA C 13 44.736 0.300 . 1 . . . . 110 GLY CA . 10313 1 1320 . 1 1 110 110 GLY N N 15 110.420 0.300 . 1 . . . . 110 GLY N . 10313 1 1321 . 1 1 111 111 PRO HA H 1 4.474 0.030 . 1 . . . . 111 PRO HA . 10313 1 1322 . 1 1 111 111 PRO HB2 H 1 2.292 0.030 . 2 . . . . 111 PRO HB2 . 10313 1 1323 . 1 1 111 111 PRO HB3 H 1 1.971 0.030 . 2 . . . . 111 PRO HB3 . 10313 1 1324 . 1 1 111 111 PRO HD2 H 1 3.629 0.030 . 1 . . . . 111 PRO HD2 . 10313 1 1325 . 1 1 111 111 PRO HD3 H 1 3.629 0.030 . 1 . . . . 111 PRO HD3 . 10313 1 1326 . 1 1 111 111 PRO HG2 H 1 2.011 0.030 . 1 . . . . 111 PRO HG2 . 10313 1 1327 . 1 1 111 111 PRO HG3 H 1 2.011 0.030 . 1 . . . . 111 PRO HG3 . 10313 1 1328 . 1 1 111 111 PRO C C 13 177.392 0.300 . 1 . . . . 111 PRO C . 10313 1 1329 . 1 1 111 111 PRO CA C 13 63.244 0.300 . 1 . . . . 111 PRO CA . 10313 1 1330 . 1 1 111 111 PRO CB C 13 32.213 0.300 . 1 . . . . 111 PRO CB . 10313 1 1331 . 1 1 111 111 PRO CD C 13 49.804 0.300 . 1 . . . . 111 PRO CD . 10313 1 1332 . 1 1 111 111 PRO CG C 13 27.168 0.300 . 1 . . . . 111 PRO CG . 10313 1 1333 . 1 1 112 112 SER H H 1 8.521 0.030 . 1 . . . . 112 SER H . 10313 1 1334 . 1 1 112 112 SER C C 13 174.660 0.300 . 1 . . . . 112 SER C . 10313 1 1335 . 1 1 112 112 SER CA C 13 58.363 0.300 . 1 . . . . 112 SER CA . 10313 1 1336 . 1 1 112 112 SER CB C 13 63.991 0.300 . 1 . . . . 112 SER CB . 10313 1 1337 . 1 1 112 112 SER N N 15 116.418 0.300 . 1 . . . . 112 SER N . 10313 1 stop_ save_