data_11186 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11186 _Entry.Title ; Solution structure of the fifth PDZ domain of InaD-like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-20 _Entry.Original_release_date 2011-07-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Inoue . . . 11186 2 F. Hayashi . . . 11186 3 S. Yokoyama . . . 11186 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11186 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11186 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 11186 '15N chemical shifts' 99 11186 '1H chemical shifts' 721 11186 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-20 2010-07-21 original author . 11186 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D92 'BMRB Entry Tracking System' 11186 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11186 _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 fifth PDZ domain of InaD-like protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Inoue . . . 11186 1 2 F. Hayashi . . . 11186 1 3 S. Yokoyama . . . 11186 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11186 _Assembly.ID 1 _Assembly.Name 'InaD-like 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 'PDZ domain' 1 $entity_1 A . yes native no no . . . 11186 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2d92 . . . . . . 11186 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11186 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGELALWSPEVKIVE LVKDCKGLGFSILDYQDPLD PTRSVIVIRSLVADGVAERS GGLLPGDRLVSVNEYCLDNT SLAEAVEILKAVPPGLVHLG ICSGPSSG ; _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 108 _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 2D92 . "Solution Structure Of The Fifth Pdz Domain Of Inad-Like Protein" . . . . . 100.00 108 100.00 100.00 7.63e-68 . . . . 11186 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11186 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 . 11186 1 2 . SER . 11186 1 3 . SER . 11186 1 4 . GLY . 11186 1 5 . SER . 11186 1 6 . SER . 11186 1 7 . GLY . 11186 1 8 . GLU . 11186 1 9 . LEU . 11186 1 10 . ALA . 11186 1 11 . LEU . 11186 1 12 . TRP . 11186 1 13 . SER . 11186 1 14 . PRO . 11186 1 15 . GLU . 11186 1 16 . VAL . 11186 1 17 . LYS . 11186 1 18 . ILE . 11186 1 19 . VAL . 11186 1 20 . GLU . 11186 1 21 . LEU . 11186 1 22 . VAL . 11186 1 23 . LYS . 11186 1 24 . ASP . 11186 1 25 . CYS . 11186 1 26 . LYS . 11186 1 27 . GLY . 11186 1 28 . LEU . 11186 1 29 . GLY . 11186 1 30 . PHE . 11186 1 31 . SER . 11186 1 32 . ILE . 11186 1 33 . LEU . 11186 1 34 . ASP . 11186 1 35 . TYR . 11186 1 36 . GLN . 11186 1 37 . ASP . 11186 1 38 . PRO . 11186 1 39 . LEU . 11186 1 40 . ASP . 11186 1 41 . PRO . 11186 1 42 . THR . 11186 1 43 . ARG . 11186 1 44 . SER . 11186 1 45 . VAL . 11186 1 46 . ILE . 11186 1 47 . VAL . 11186 1 48 . ILE . 11186 1 49 . ARG . 11186 1 50 . SER . 11186 1 51 . LEU . 11186 1 52 . VAL . 11186 1 53 . ALA . 11186 1 54 . ASP . 11186 1 55 . GLY . 11186 1 56 . VAL . 11186 1 57 . ALA . 11186 1 58 . GLU . 11186 1 59 . ARG . 11186 1 60 . SER . 11186 1 61 . GLY . 11186 1 62 . GLY . 11186 1 63 . LEU . 11186 1 64 . LEU . 11186 1 65 . PRO . 11186 1 66 . GLY . 11186 1 67 . ASP . 11186 1 68 . ARG . 11186 1 69 . LEU . 11186 1 70 . VAL . 11186 1 71 . SER . 11186 1 72 . VAL . 11186 1 73 . ASN . 11186 1 74 . GLU . 11186 1 75 . TYR . 11186 1 76 . CYS . 11186 1 77 . LEU . 11186 1 78 . ASP . 11186 1 79 . ASN . 11186 1 80 . THR . 11186 1 81 . SER . 11186 1 82 . LEU . 11186 1 83 . ALA . 11186 1 84 . GLU . 11186 1 85 . ALA . 11186 1 86 . VAL . 11186 1 87 . GLU . 11186 1 88 . ILE . 11186 1 89 . LEU . 11186 1 90 . LYS . 11186 1 91 . ALA . 11186 1 92 . VAL . 11186 1 93 . PRO . 11186 1 94 . PRO . 11186 1 95 . GLY . 11186 1 96 . LEU . 11186 1 97 . VAL . 11186 1 98 . HIS . 11186 1 99 . LEU . 11186 1 100 . GLY . 11186 1 101 . ILE . 11186 1 102 . CYS . 11186 1 103 . SER . 11186 1 104 . GLY . 11186 1 105 . PRO . 11186 1 106 . SER . 11186 1 107 . SER . 11186 1 108 . GLY . 11186 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 11186 1 . SER 2 2 11186 1 . SER 3 3 11186 1 . GLY 4 4 11186 1 . SER 5 5 11186 1 . SER 6 6 11186 1 . GLY 7 7 11186 1 . GLU 8 8 11186 1 . LEU 9 9 11186 1 . ALA 10 10 11186 1 . LEU 11 11 11186 1 . TRP 12 12 11186 1 . SER 13 13 11186 1 . PRO 14 14 11186 1 . GLU 15 15 11186 1 . VAL 16 16 11186 1 . LYS 17 17 11186 1 . ILE 18 18 11186 1 . VAL 19 19 11186 1 . GLU 20 20 11186 1 . LEU 21 21 11186 1 . VAL 22 22 11186 1 . LYS 23 23 11186 1 . ASP 24 24 11186 1 . CYS 25 25 11186 1 . LYS 26 26 11186 1 . GLY 27 27 11186 1 . LEU 28 28 11186 1 . GLY 29 29 11186 1 . PHE 30 30 11186 1 . SER 31 31 11186 1 . ILE 32 32 11186 1 . LEU 33 33 11186 1 . ASP 34 34 11186 1 . TYR 35 35 11186 1 . GLN 36 36 11186 1 . ASP 37 37 11186 1 . PRO 38 38 11186 1 . LEU 39 39 11186 1 . ASP 40 40 11186 1 . PRO 41 41 11186 1 . THR 42 42 11186 1 . ARG 43 43 11186 1 . SER 44 44 11186 1 . VAL 45 45 11186 1 . ILE 46 46 11186 1 . VAL 47 47 11186 1 . ILE 48 48 11186 1 . ARG 49 49 11186 1 . SER 50 50 11186 1 . LEU 51 51 11186 1 . VAL 52 52 11186 1 . ALA 53 53 11186 1 . ASP 54 54 11186 1 . GLY 55 55 11186 1 . VAL 56 56 11186 1 . ALA 57 57 11186 1 . GLU 58 58 11186 1 . ARG 59 59 11186 1 . SER 60 60 11186 1 . GLY 61 61 11186 1 . GLY 62 62 11186 1 . LEU 63 63 11186 1 . LEU 64 64 11186 1 . PRO 65 65 11186 1 . GLY 66 66 11186 1 . ASP 67 67 11186 1 . ARG 68 68 11186 1 . LEU 69 69 11186 1 . VAL 70 70 11186 1 . SER 71 71 11186 1 . VAL 72 72 11186 1 . ASN 73 73 11186 1 . GLU 74 74 11186 1 . TYR 75 75 11186 1 . CYS 76 76 11186 1 . LEU 77 77 11186 1 . ASP 78 78 11186 1 . ASN 79 79 11186 1 . THR 80 80 11186 1 . SER 81 81 11186 1 . LEU 82 82 11186 1 . ALA 83 83 11186 1 . GLU 84 84 11186 1 . ALA 85 85 11186 1 . VAL 86 86 11186 1 . GLU 87 87 11186 1 . ILE 88 88 11186 1 . LEU 89 89 11186 1 . LYS 90 90 11186 1 . ALA 91 91 11186 1 . VAL 92 92 11186 1 . PRO 93 93 11186 1 . PRO 94 94 11186 1 . GLY 95 95 11186 1 . LEU 96 96 11186 1 . VAL 97 97 11186 1 . HIS 98 98 11186 1 . LEU 99 99 11186 1 . GLY 100 100 11186 1 . ILE 101 101 11186 1 . CYS 102 102 11186 1 . SER 103 103 11186 1 . GLY 104 104 11186 1 . PRO 105 105 11186 1 . SER 106 106 11186 1 . SER 107 107 11186 1 . GLY 108 108 11186 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 11186 _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 . . . . . . . . . . . . . . . . . . . . . 11186 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 11186 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050214-02 . . . . . . 11186 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11186 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.43mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.43 . . mM . . . . 11186 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11186 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11186 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11186 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11186 1 6 H2O . . . . . . solvent 90 . . % . . . . 11186 1 7 D2O . . . . . . solvent 10 . . % . . . . 11186 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 11186 _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 11186 1 pH 7.0 0.05 pH 11186 1 pressure 1 0.001 atm 11186 1 temperature 293 0.1 K 11186 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11186 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11186 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11186 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11186 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11186 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11186 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11186 _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.' . . 11186 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11186 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11186 _Software.ID 4 _Software.Name Kujira _Software.Version 0.93191 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11186 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11186 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11186 _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.' . . 11186 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11186 5 'structure solution' 11186 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 11186 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11186 _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 Varian INOVA . 800 . . . 11186 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 11186 _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 . . . . . . . . . . . . . . . . 11186 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11186 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 11186 _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 . . . . . . . . . 11186 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11186 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11186 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 11186 _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 11186 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11186 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11186 1 2 $NMRPipe . . 11186 1 3 $NMRView . . 11186 1 4 $Kujira . . 11186 1 5 $CYANA . . 11186 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 CA C 13 58.917 0.300 . 1 . . . . 6 SER CA . 11186 1 2 . 1 1 7 7 GLY H H 1 8.413 0.030 . 1 . . . . 7 GLY H . 11186 1 3 . 1 1 7 7 GLY HA2 H 1 3.944 0.030 . 1 . . . . 7 GLY HA2 . 11186 1 4 . 1 1 7 7 GLY HA3 H 1 3.944 0.030 . 1 . . . . 7 GLY HA3 . 11186 1 5 . 1 1 7 7 GLY C C 13 174.162 0.300 . 1 . . . . 7 GLY C . 11186 1 6 . 1 1 7 7 GLY CA C 13 45.323 0.300 . 1 . . . . 7 GLY CA . 11186 1 7 . 1 1 7 7 GLY N N 15 110.731 0.300 . 1 . . . . 7 GLY N . 11186 1 8 . 1 1 8 8 GLU H H 1 8.290 0.030 . 1 . . . . 8 GLU H . 11186 1 9 . 1 1 8 8 GLU HA H 1 4.237 0.030 . 1 . . . . 8 GLU HA . 11186 1 10 . 1 1 8 8 GLU HB2 H 1 1.895 0.030 . 2 . . . . 8 GLU HB2 . 11186 1 11 . 1 1 8 8 GLU HB3 H 1 2.017 0.030 . 2 . . . . 8 GLU HB3 . 11186 1 12 . 1 1 8 8 GLU HG2 H 1 2.236 0.030 . 1 . . . . 8 GLU HG2 . 11186 1 13 . 1 1 8 8 GLU HG3 H 1 2.236 0.030 . 1 . . . . 8 GLU HG3 . 11186 1 14 . 1 1 8 8 GLU C C 13 176.442 0.300 . 1 . . . . 8 GLU C . 11186 1 15 . 1 1 8 8 GLU CA C 13 56.545 0.300 . 1 . . . . 8 GLU CA . 11186 1 16 . 1 1 8 8 GLU CB C 13 30.157 0.300 . 1 . . . . 8 GLU CB . 11186 1 17 . 1 1 8 8 GLU CG C 13 36.169 0.300 . 1 . . . . 8 GLU CG . 11186 1 18 . 1 1 8 8 GLU N N 15 120.610 0.300 . 1 . . . . 8 GLU N . 11186 1 19 . 1 1 9 9 LEU H H 1 8.231 0.030 . 1 . . . . 9 LEU H . 11186 1 20 . 1 1 9 9 LEU HA H 1 4.282 0.030 . 1 . . . . 9 LEU HA . 11186 1 21 . 1 1 9 9 LEU HB2 H 1 1.501 0.030 . 2 . . . . 9 LEU HB2 . 11186 1 22 . 1 1 9 9 LEU HB3 H 1 1.579 0.030 . 2 . . . . 9 LEU HB3 . 11186 1 23 . 1 1 9 9 LEU HD11 H 1 0.867 0.030 . 1 . . . . 9 LEU HD1 . 11186 1 24 . 1 1 9 9 LEU HD12 H 1 0.867 0.030 . 1 . . . . 9 LEU HD1 . 11186 1 25 . 1 1 9 9 LEU HD13 H 1 0.867 0.030 . 1 . . . . 9 LEU HD1 . 11186 1 26 . 1 1 9 9 LEU HD21 H 1 0.810 0.030 . 1 . . . . 9 LEU HD2 . 11186 1 27 . 1 1 9 9 LEU HD22 H 1 0.810 0.030 . 1 . . . . 9 LEU HD2 . 11186 1 28 . 1 1 9 9 LEU HD23 H 1 0.810 0.030 . 1 . . . . 9 LEU HD2 . 11186 1 29 . 1 1 9 9 LEU HG H 1 1.575 0.030 . 1 . . . . 9 LEU HG . 11186 1 30 . 1 1 9 9 LEU C C 13 176.798 0.300 . 1 . . . . 9 LEU C . 11186 1 31 . 1 1 9 9 LEU CA C 13 54.932 0.300 . 1 . . . . 9 LEU CA . 11186 1 32 . 1 1 9 9 LEU CB C 13 42.289 0.300 . 1 . . . . 9 LEU CB . 11186 1 33 . 1 1 9 9 LEU CD1 C 13 25.017 0.300 . 2 . . . . 9 LEU CD1 . 11186 1 34 . 1 1 9 9 LEU CD2 C 13 23.522 0.300 . 2 . . . . 9 LEU CD2 . 11186 1 35 . 1 1 9 9 LEU CG C 13 26.921 0.300 . 1 . . . . 9 LEU CG . 11186 1 36 . 1 1 9 9 LEU N N 15 122.653 0.300 . 1 . . . . 9 LEU N . 11186 1 37 . 1 1 10 10 ALA H H 1 8.097 0.030 . 1 . . . . 10 ALA H . 11186 1 38 . 1 1 10 10 ALA HA H 1 4.177 0.030 . 1 . . . . 10 ALA HA . 11186 1 39 . 1 1 10 10 ALA HB1 H 1 1.234 0.030 . 1 . . . . 10 ALA HB . 11186 1 40 . 1 1 10 10 ALA HB2 H 1 1.234 0.030 . 1 . . . . 10 ALA HB . 11186 1 41 . 1 1 10 10 ALA HB3 H 1 1.234 0.030 . 1 . . . . 10 ALA HB . 11186 1 42 . 1 1 10 10 ALA C C 13 176.925 0.300 . 1 . . . . 10 ALA C . 11186 1 43 . 1 1 10 10 ALA CA C 13 52.016 0.300 . 1 . . . . 10 ALA CA . 11186 1 44 . 1 1 10 10 ALA CB C 13 19.013 0.300 . 1 . . . . 10 ALA CB . 11186 1 45 . 1 1 10 10 ALA N N 15 124.762 0.300 . 1 . . . . 10 ALA N . 11186 1 46 . 1 1 11 11 LEU H H 1 7.716 0.030 . 1 . . . . 11 LEU H . 11186 1 47 . 1 1 11 11 LEU HA H 1 3.951 0.030 . 1 . . . . 11 LEU HA . 11186 1 48 . 1 1 11 11 LEU HB2 H 1 0.869 0.030 . 2 . . . . 11 LEU HB2 . 11186 1 49 . 1 1 11 11 LEU HB3 H 1 0.915 0.030 . 2 . . . . 11 LEU HB3 . 11186 1 50 . 1 1 11 11 LEU HD11 H 1 0.692 0.030 . 1 . . . . 11 LEU HD1 . 11186 1 51 . 1 1 11 11 LEU HD12 H 1 0.692 0.030 . 1 . . . . 11 LEU HD1 . 11186 1 52 . 1 1 11 11 LEU HD13 H 1 0.692 0.030 . 1 . . . . 11 LEU HD1 . 11186 1 53 . 1 1 11 11 LEU HD21 H 1 0.616 0.030 . 1 . . . . 11 LEU HD2 . 11186 1 54 . 1 1 11 11 LEU HD22 H 1 0.616 0.030 . 1 . . . . 11 LEU HD2 . 11186 1 55 . 1 1 11 11 LEU HD23 H 1 0.616 0.030 . 1 . . . . 11 LEU HD2 . 11186 1 56 . 1 1 11 11 LEU HG H 1 1.273 0.030 . 1 . . . . 11 LEU HG . 11186 1 57 . 1 1 11 11 LEU C C 13 176.346 0.300 . 1 . . . . 11 LEU C . 11186 1 58 . 1 1 11 11 LEU CA C 13 55.181 0.300 . 1 . . . . 11 LEU CA . 11186 1 59 . 1 1 11 11 LEU CB C 13 41.874 0.300 . 1 . . . . 11 LEU CB . 11186 1 60 . 1 1 11 11 LEU CD1 C 13 24.910 0.300 . 2 . . . . 11 LEU CD1 . 11186 1 61 . 1 1 11 11 LEU CD2 C 13 23.252 0.300 . 2 . . . . 11 LEU CD2 . 11186 1 62 . 1 1 11 11 LEU CG C 13 26.702 0.300 . 1 . . . . 11 LEU CG . 11186 1 63 . 1 1 11 11 LEU N N 15 120.483 0.300 . 1 . . . . 11 LEU N . 11186 1 64 . 1 1 12 12 TRP H H 1 7.463 0.030 . 1 . . . . 12 TRP H . 11186 1 65 . 1 1 12 12 TRP HA H 1 4.754 0.030 . 1 . . . . 12 TRP HA . 11186 1 66 . 1 1 12 12 TRP HB2 H 1 3.053 0.030 . 1 . . . . 12 TRP HB2 . 11186 1 67 . 1 1 12 12 TRP HB3 H 1 3.053 0.030 . 1 . . . . 12 TRP HB3 . 11186 1 68 . 1 1 12 12 TRP HD1 H 1 7.121 0.030 . 1 . . . . 12 TRP HD1 . 11186 1 69 . 1 1 12 12 TRP HE1 H 1 10.261 0.030 . 1 . . . . 12 TRP HE1 . 11186 1 70 . 1 1 12 12 TRP HE3 H 1 7.621 0.030 . 1 . . . . 12 TRP HE3 . 11186 1 71 . 1 1 12 12 TRP HH2 H 1 6.801 0.030 . 1 . . . . 12 TRP HH2 . 11186 1 72 . 1 1 12 12 TRP HZ2 H 1 7.113 0.030 . 1 . . . . 12 TRP HZ2 . 11186 1 73 . 1 1 12 12 TRP HZ3 H 1 7.020 0.030 . 1 . . . . 12 TRP HZ3 . 11186 1 74 . 1 1 12 12 TRP C C 13 176.204 0.300 . 1 . . . . 12 TRP C . 11186 1 75 . 1 1 12 12 TRP CA C 13 57.943 0.300 . 1 . . . . 12 TRP CA . 11186 1 76 . 1 1 12 12 TRP CB C 13 30.571 0.300 . 1 . . . . 12 TRP CB . 11186 1 77 . 1 1 12 12 TRP CD1 C 13 126.841 0.300 . 1 . . . . 12 TRP CD1 . 11186 1 78 . 1 1 12 12 TRP CE3 C 13 120.577 0.300 . 1 . . . . 12 TRP CE3 . 11186 1 79 . 1 1 12 12 TRP CH2 C 13 124.081 0.300 . 1 . . . . 12 TRP CH2 . 11186 1 80 . 1 1 12 12 TRP CZ2 C 13 114.419 0.300 . 1 . . . . 12 TRP CZ2 . 11186 1 81 . 1 1 12 12 TRP CZ3 C 13 121.650 0.300 . 1 . . . . 12 TRP CZ3 . 11186 1 82 . 1 1 12 12 TRP N N 15 117.640 0.300 . 1 . . . . 12 TRP N . 11186 1 83 . 1 1 12 12 TRP NE1 N 15 129.552 0.300 . 1 . . . . 12 TRP NE1 . 11186 1 84 . 1 1 13 13 SER H H 1 8.507 0.030 . 1 . . . . 13 SER H . 11186 1 85 . 1 1 13 13 SER HA H 1 4.646 0.030 . 1 . . . . 13 SER HA . 11186 1 86 . 1 1 13 13 SER HB2 H 1 3.982 0.030 . 2 . . . . 13 SER HB2 . 11186 1 87 . 1 1 13 13 SER HB3 H 1 4.073 0.030 . 2 . . . . 13 SER HB3 . 11186 1 88 . 1 1 13 13 SER C C 13 173.567 0.300 . 1 . . . . 13 SER C . 11186 1 89 . 1 1 13 13 SER CA C 13 56.052 0.300 . 1 . . . . 13 SER CA . 11186 1 90 . 1 1 13 13 SER CB C 13 64.078 0.300 . 1 . . . . 13 SER CB . 11186 1 91 . 1 1 13 13 SER N N 15 118.539 0.300 . 1 . . . . 13 SER N . 11186 1 92 . 1 1 14 14 PRO HA H 1 4.461 0.030 . 1 . . . . 14 PRO HA . 11186 1 93 . 1 1 14 14 PRO HB2 H 1 1.985 0.030 . 2 . . . . 14 PRO HB2 . 11186 1 94 . 1 1 14 14 PRO HB3 H 1 2.256 0.030 . 2 . . . . 14 PRO HB3 . 11186 1 95 . 1 1 14 14 PRO HD2 H 1 3.700 0.030 . 2 . . . . 14 PRO HD2 . 11186 1 96 . 1 1 14 14 PRO HD3 H 1 3.851 0.030 . 2 . . . . 14 PRO HD3 . 11186 1 97 . 1 1 14 14 PRO HG2 H 1 1.975 0.030 . 2 . . . . 14 PRO HG2 . 11186 1 98 . 1 1 14 14 PRO HG3 H 1 2.024 0.030 . 2 . . . . 14 PRO HG3 . 11186 1 99 . 1 1 14 14 PRO C C 13 177.112 0.300 . 1 . . . . 14 PRO C . 11186 1 100 . 1 1 14 14 PRO CA C 13 63.420 0.300 . 1 . . . . 14 PRO CA . 11186 1 101 . 1 1 14 14 PRO CB C 13 31.970 0.300 . 1 . . . . 14 PRO CB . 11186 1 102 . 1 1 14 14 PRO CD C 13 50.494 0.300 . 1 . . . . 14 PRO CD . 11186 1 103 . 1 1 14 14 PRO CG C 13 26.946 0.300 . 1 . . . . 14 PRO CG . 11186 1 104 . 1 1 15 15 GLU H H 1 8.013 0.030 . 1 . . . . 15 GLU H . 11186 1 105 . 1 1 15 15 GLU HA H 1 4.183 0.030 . 1 . . . . 15 GLU HA . 11186 1 106 . 1 1 15 15 GLU HB2 H 1 1.913 0.030 . 1 . . . . 15 GLU HB2 . 11186 1 107 . 1 1 15 15 GLU HB3 H 1 1.913 0.030 . 1 . . . . 15 GLU HB3 . 11186 1 108 . 1 1 15 15 GLU HG2 H 1 2.122 0.030 . 2 . . . . 15 GLU HG2 . 11186 1 109 . 1 1 15 15 GLU HG3 H 1 2.203 0.030 . 2 . . . . 15 GLU HG3 . 11186 1 110 . 1 1 15 15 GLU C C 13 174.983 0.300 . 1 . . . . 15 GLU C . 11186 1 111 . 1 1 15 15 GLU CA C 13 56.271 0.300 . 1 . . . . 15 GLU CA . 11186 1 112 . 1 1 15 15 GLU CB C 13 29.935 0.300 . 1 . . . . 15 GLU CB . 11186 1 113 . 1 1 15 15 GLU CG C 13 36.075 0.300 . 1 . . . . 15 GLU CG . 11186 1 114 . 1 1 15 15 GLU N N 15 120.311 0.300 . 1 . . . . 15 GLU N . 11186 1 115 . 1 1 16 16 VAL H H 1 8.360 0.030 . 1 . . . . 16 VAL H . 11186 1 116 . 1 1 16 16 VAL HA H 1 4.246 0.030 . 1 . . . . 16 VAL HA . 11186 1 117 . 1 1 16 16 VAL HB H 1 1.865 0.030 . 1 . . . . 16 VAL HB . 11186 1 118 . 1 1 16 16 VAL HG11 H 1 0.846 0.030 . 1 . . . . 16 VAL HG1 . 11186 1 119 . 1 1 16 16 VAL HG12 H 1 0.846 0.030 . 1 . . . . 16 VAL HG1 . 11186 1 120 . 1 1 16 16 VAL HG13 H 1 0.846 0.030 . 1 . . . . 16 VAL HG1 . 11186 1 121 . 1 1 16 16 VAL HG21 H 1 0.693 0.030 . 1 . . . . 16 VAL HG2 . 11186 1 122 . 1 1 16 16 VAL HG22 H 1 0.693 0.030 . 1 . . . . 16 VAL HG2 . 11186 1 123 . 1 1 16 16 VAL HG23 H 1 0.693 0.030 . 1 . . . . 16 VAL HG2 . 11186 1 124 . 1 1 16 16 VAL C C 13 176.299 0.300 . 1 . . . . 16 VAL C . 11186 1 125 . 1 1 16 16 VAL CA C 13 61.931 0.300 . 1 . . . . 16 VAL CA . 11186 1 126 . 1 1 16 16 VAL CB C 13 32.440 0.300 . 1 . . . . 16 VAL CB . 11186 1 127 . 1 1 16 16 VAL CG1 C 13 21.643 0.300 . 2 . . . . 16 VAL CG1 . 11186 1 128 . 1 1 16 16 VAL CG2 C 13 20.894 0.300 . 2 . . . . 16 VAL CG2 . 11186 1 129 . 1 1 16 16 VAL N N 15 126.461 0.300 . 1 . . . . 16 VAL N . 11186 1 130 . 1 1 17 17 LYS H H 1 9.292 0.030 . 1 . . . . 17 LYS H . 11186 1 131 . 1 1 17 17 LYS HA H 1 4.587 0.030 . 1 . . . . 17 LYS HA . 11186 1 132 . 1 1 17 17 LYS HB2 H 1 1.741 0.030 . 1 . . . . 17 LYS HB2 . 11186 1 133 . 1 1 17 17 LYS HB3 H 1 1.741 0.030 . 1 . . . . 17 LYS HB3 . 11186 1 134 . 1 1 17 17 LYS HD2 H 1 1.639 0.030 . 1 . . . . 17 LYS HD2 . 11186 1 135 . 1 1 17 17 LYS HD3 H 1 1.639 0.030 . 1 . . . . 17 LYS HD3 . 11186 1 136 . 1 1 17 17 LYS HE2 H 1 2.888 0.030 . 1 . . . . 17 LYS HE2 . 11186 1 137 . 1 1 17 17 LYS HE3 H 1 2.888 0.030 . 1 . . . . 17 LYS HE3 . 11186 1 138 . 1 1 17 17 LYS HG2 H 1 1.375 0.030 . 1 . . . . 17 LYS HG2 . 11186 1 139 . 1 1 17 17 LYS HG3 H 1 1.375 0.030 . 1 . . . . 17 LYS HG3 . 11186 1 140 . 1 1 17 17 LYS C C 13 174.665 0.300 . 1 . . . . 17 LYS C . 11186 1 141 . 1 1 17 17 LYS CA C 13 54.542 0.300 . 1 . . . . 17 LYS CA . 11186 1 142 . 1 1 17 17 LYS CB C 13 34.241 0.300 . 1 . . . . 17 LYS CB . 11186 1 143 . 1 1 17 17 LYS CD C 13 29.200 0.300 . 1 . . . . 17 LYS CD . 11186 1 144 . 1 1 17 17 LYS CE C 13 42.031 0.300 . 1 . . . . 17 LYS CE . 11186 1 145 . 1 1 17 17 LYS CG C 13 24.755 0.300 . 1 . . . . 17 LYS CG . 11186 1 146 . 1 1 17 17 LYS N N 15 130.107 0.300 . 1 . . . . 17 LYS N . 11186 1 147 . 1 1 18 18 ILE H H 1 8.525 0.030 . 1 . . . . 18 ILE H . 11186 1 148 . 1 1 18 18 ILE HA H 1 4.993 0.030 . 1 . . . . 18 ILE HA . 11186 1 149 . 1 1 18 18 ILE HB H 1 1.896 0.030 . 1 . . . . 18 ILE HB . 11186 1 150 . 1 1 18 18 ILE HD11 H 1 0.592 0.030 . 1 . . . . 18 ILE HD1 . 11186 1 151 . 1 1 18 18 ILE HD12 H 1 0.592 0.030 . 1 . . . . 18 ILE HD1 . 11186 1 152 . 1 1 18 18 ILE HD13 H 1 0.592 0.030 . 1 . . . . 18 ILE HD1 . 11186 1 153 . 1 1 18 18 ILE HG12 H 1 1.345 0.030 . 1 . . . . 18 ILE HG12 . 11186 1 154 . 1 1 18 18 ILE HG13 H 1 1.345 0.030 . 1 . . . . 18 ILE HG13 . 11186 1 155 . 1 1 18 18 ILE HG21 H 1 0.703 0.030 . 1 . . . . 18 ILE HG2 . 11186 1 156 . 1 1 18 18 ILE HG22 H 1 0.703 0.030 . 1 . . . . 18 ILE HG2 . 11186 1 157 . 1 1 18 18 ILE HG23 H 1 0.703 0.030 . 1 . . . . 18 ILE HG2 . 11186 1 158 . 1 1 18 18 ILE C C 13 176.853 0.300 . 1 . . . . 18 ILE C . 11186 1 159 . 1 1 18 18 ILE CA C 13 58.281 0.300 . 1 . . . . 18 ILE CA . 11186 1 160 . 1 1 18 18 ILE CB C 13 36.353 0.300 . 1 . . . . 18 ILE CB . 11186 1 161 . 1 1 18 18 ILE CD1 C 13 9.820 0.300 . 1 . . . . 18 ILE CD1 . 11186 1 162 . 1 1 18 18 ILE CG1 C 13 26.433 0.300 . 1 . . . . 18 ILE CG1 . 11186 1 163 . 1 1 18 18 ILE CG2 C 13 17.549 0.300 . 1 . . . . 18 ILE CG2 . 11186 1 164 . 1 1 18 18 ILE N N 15 122.608 0.300 . 1 . . . . 18 ILE N . 11186 1 165 . 1 1 19 19 VAL H H 1 9.559 0.030 . 1 . . . . 19 VAL H . 11186 1 166 . 1 1 19 19 VAL HA H 1 4.198 0.030 . 1 . . . . 19 VAL HA . 11186 1 167 . 1 1 19 19 VAL HB H 1 1.817 0.030 . 1 . . . . 19 VAL HB . 11186 1 168 . 1 1 19 19 VAL HG11 H 1 0.822 0.030 . 1 . . . . 19 VAL HG1 . 11186 1 169 . 1 1 19 19 VAL HG12 H 1 0.822 0.030 . 1 . . . . 19 VAL HG1 . 11186 1 170 . 1 1 19 19 VAL HG13 H 1 0.822 0.030 . 1 . . . . 19 VAL HG1 . 11186 1 171 . 1 1 19 19 VAL HG21 H 1 0.845 0.030 . 1 . . . . 19 VAL HG2 . 11186 1 172 . 1 1 19 19 VAL HG22 H 1 0.845 0.030 . 1 . . . . 19 VAL HG2 . 11186 1 173 . 1 1 19 19 VAL HG23 H 1 0.845 0.030 . 1 . . . . 19 VAL HG2 . 11186 1 174 . 1 1 19 19 VAL C C 13 174.364 0.300 . 1 . . . . 19 VAL C . 11186 1 175 . 1 1 19 19 VAL CA C 13 61.302 0.300 . 1 . . . . 19 VAL CA . 11186 1 176 . 1 1 19 19 VAL CB C 13 34.279 0.300 . 1 . . . . 19 VAL CB . 11186 1 177 . 1 1 19 19 VAL CG1 C 13 20.591 0.300 . 2 . . . . 19 VAL CG1 . 11186 1 178 . 1 1 19 19 VAL CG2 C 13 21.265 0.300 . 2 . . . . 19 VAL CG2 . 11186 1 179 . 1 1 19 19 VAL N N 15 131.306 0.300 . 1 . . . . 19 VAL N . 11186 1 180 . 1 1 20 20 GLU H H 1 8.663 0.030 . 1 . . . . 20 GLU H . 11186 1 181 . 1 1 20 20 GLU HA H 1 5.102 0.030 . 1 . . . . 20 GLU HA . 11186 1 182 . 1 1 20 20 GLU HB2 H 1 1.901 0.030 . 1 . . . . 20 GLU HB2 . 11186 1 183 . 1 1 20 20 GLU HB3 H 1 1.901 0.030 . 1 . . . . 20 GLU HB3 . 11186 1 184 . 1 1 20 20 GLU HG2 H 1 1.856 0.030 . 2 . . . . 20 GLU HG2 . 11186 1 185 . 1 1 20 20 GLU HG3 H 1 2.023 0.030 . 2 . . . . 20 GLU HG3 . 11186 1 186 . 1 1 20 20 GLU C C 13 175.363 0.300 . 1 . . . . 20 GLU C . 11186 1 187 . 1 1 20 20 GLU CA C 13 54.727 0.300 . 1 . . . . 20 GLU CA . 11186 1 188 . 1 1 20 20 GLU CB C 13 31.523 0.300 . 1 . . . . 20 GLU CB . 11186 1 189 . 1 1 20 20 GLU CG C 13 37.120 0.300 . 1 . . . . 20 GLU CG . 11186 1 190 . 1 1 20 20 GLU N N 15 127.581 0.300 . 1 . . . . 20 GLU N . 11186 1 191 . 1 1 21 21 LEU H H 1 8.776 0.030 . 1 . . . . 21 LEU H . 11186 1 192 . 1 1 21 21 LEU HA H 1 4.787 0.030 . 1 . . . . 21 LEU HA . 11186 1 193 . 1 1 21 21 LEU HB2 H 1 1.315 0.030 . 2 . . . . 21 LEU HB2 . 11186 1 194 . 1 1 21 21 LEU HB3 H 1 1.450 0.030 . 2 . . . . 21 LEU HB3 . 11186 1 195 . 1 1 21 21 LEU HD11 H 1 0.902 0.030 . 1 . . . . 21 LEU HD1 . 11186 1 196 . 1 1 21 21 LEU HD12 H 1 0.902 0.030 . 1 . . . . 21 LEU HD1 . 11186 1 197 . 1 1 21 21 LEU HD13 H 1 0.902 0.030 . 1 . . . . 21 LEU HD1 . 11186 1 198 . 1 1 21 21 LEU HD21 H 1 0.951 0.030 . 1 . . . . 21 LEU HD2 . 11186 1 199 . 1 1 21 21 LEU HD22 H 1 0.951 0.030 . 1 . . . . 21 LEU HD2 . 11186 1 200 . 1 1 21 21 LEU HD23 H 1 0.951 0.030 . 1 . . . . 21 LEU HD2 . 11186 1 201 . 1 1 21 21 LEU HG H 1 1.525 0.030 . 1 . . . . 21 LEU HG . 11186 1 202 . 1 1 21 21 LEU C C 13 174.597 0.300 . 1 . . . . 21 LEU C . 11186 1 203 . 1 1 21 21 LEU CA C 13 52.736 0.300 . 1 . . . . 21 LEU CA . 11186 1 204 . 1 1 21 21 LEU CB C 13 46.233 0.300 . 1 . . . . 21 LEU CB . 11186 1 205 . 1 1 21 21 LEU CD1 C 13 27.019 0.300 . 2 . . . . 21 LEU CD1 . 11186 1 206 . 1 1 21 21 LEU CD2 C 13 23.986 0.300 . 2 . . . . 21 LEU CD2 . 11186 1 207 . 1 1 21 21 LEU CG C 13 26.947 0.300 . 1 . . . . 21 LEU CG . 11186 1 208 . 1 1 21 21 LEU N N 15 123.967 0.300 . 1 . . . . 21 LEU N . 11186 1 209 . 1 1 22 22 VAL H H 1 7.928 0.030 . 1 . . . . 22 VAL H . 11186 1 210 . 1 1 22 22 VAL HA H 1 4.244 0.030 . 1 . . . . 22 VAL HA . 11186 1 211 . 1 1 22 22 VAL HB H 1 1.867 0.030 . 1 . . . . 22 VAL HB . 11186 1 212 . 1 1 22 22 VAL HG11 H 1 0.694 0.030 . 1 . . . . 22 VAL HG1 . 11186 1 213 . 1 1 22 22 VAL HG12 H 1 0.694 0.030 . 1 . . . . 22 VAL HG1 . 11186 1 214 . 1 1 22 22 VAL HG13 H 1 0.694 0.030 . 1 . . . . 22 VAL HG1 . 11186 1 215 . 1 1 22 22 VAL HG21 H 1 0.831 0.030 . 1 . . . . 22 VAL HG2 . 11186 1 216 . 1 1 22 22 VAL HG22 H 1 0.831 0.030 . 1 . . . . 22 VAL HG2 . 11186 1 217 . 1 1 22 22 VAL HG23 H 1 0.831 0.030 . 1 . . . . 22 VAL HG2 . 11186 1 218 . 1 1 22 22 VAL C C 13 175.292 0.300 . 1 . . . . 22 VAL C . 11186 1 219 . 1 1 22 22 VAL CA C 13 61.779 0.300 . 1 . . . . 22 VAL CA . 11186 1 220 . 1 1 22 22 VAL CB C 13 32.165 0.300 . 1 . . . . 22 VAL CB . 11186 1 221 . 1 1 22 22 VAL CG1 C 13 21.311 0.300 . 2 . . . . 22 VAL CG1 . 11186 1 222 . 1 1 22 22 VAL CG2 C 13 21.270 0.300 . 2 . . . . 22 VAL CG2 . 11186 1 223 . 1 1 22 22 VAL N N 15 120.522 0.300 . 1 . . . . 22 VAL N . 11186 1 224 . 1 1 23 23 LYS H H 1 9.017 0.030 . 1 . . . . 23 LYS H . 11186 1 225 . 1 1 23 23 LYS HA H 1 4.227 0.030 . 1 . . . . 23 LYS HA . 11186 1 226 . 1 1 23 23 LYS HB2 H 1 1.527 0.030 . 2 . . . . 23 LYS HB2 . 11186 1 227 . 1 1 23 23 LYS HB3 H 1 2.001 0.030 . 2 . . . . 23 LYS HB3 . 11186 1 228 . 1 1 23 23 LYS HD2 H 1 1.374 0.030 . 2 . . . . 23 LYS HD2 . 11186 1 229 . 1 1 23 23 LYS HD3 H 1 1.454 0.030 . 2 . . . . 23 LYS HD3 . 11186 1 230 . 1 1 23 23 LYS HE2 H 1 2.876 0.030 . 1 . . . . 23 LYS HE2 . 11186 1 231 . 1 1 23 23 LYS HE3 H 1 2.876 0.030 . 1 . . . . 23 LYS HE3 . 11186 1 232 . 1 1 23 23 LYS HG2 H 1 1.095 0.030 . 2 . . . . 23 LYS HG2 . 11186 1 233 . 1 1 23 23 LYS HG3 H 1 1.291 0.030 . 2 . . . . 23 LYS HG3 . 11186 1 234 . 1 1 23 23 LYS C C 13 175.577 0.300 . 1 . . . . 23 LYS C . 11186 1 235 . 1 1 23 23 LYS CA C 13 56.149 0.300 . 1 . . . . 23 LYS CA . 11186 1 236 . 1 1 23 23 LYS CB C 13 34.156 0.300 . 1 . . . . 23 LYS CB . 11186 1 237 . 1 1 23 23 LYS CD C 13 29.536 0.300 . 1 . . . . 23 LYS CD . 11186 1 238 . 1 1 23 23 LYS CE C 13 42.970 0.300 . 1 . . . . 23 LYS CE . 11186 1 239 . 1 1 23 23 LYS CG C 13 26.695 0.300 . 1 . . . . 23 LYS CG . 11186 1 240 . 1 1 23 23 LYS N N 15 128.141 0.300 . 1 . . . . 23 LYS N . 11186 1 241 . 1 1 24 24 ASP H H 1 8.351 0.030 . 1 . . . . 24 ASP H . 11186 1 242 . 1 1 24 24 ASP HA H 1 4.799 0.030 . 1 . . . . 24 ASP HA . 11186 1 243 . 1 1 24 24 ASP HB2 H 1 2.697 0.030 . 2 . . . . 24 ASP HB2 . 11186 1 244 . 1 1 24 24 ASP HB3 H 1 3.118 0.030 . 2 . . . . 24 ASP HB3 . 11186 1 245 . 1 1 24 24 ASP C C 13 177.246 0.300 . 1 . . . . 24 ASP C . 11186 1 246 . 1 1 24 24 ASP CA C 13 52.636 0.300 . 1 . . . . 24 ASP CA . 11186 1 247 . 1 1 24 24 ASP CB C 13 42.103 0.300 . 1 . . . . 24 ASP CB . 11186 1 248 . 1 1 24 24 ASP N N 15 131.209 0.300 . 1 . . . . 24 ASP N . 11186 1 249 . 1 1 25 25 CYS H H 1 8.017 0.030 . 1 . . . . 25 CYS H . 11186 1 250 . 1 1 25 25 CYS HA H 1 4.400 0.030 . 1 . . . . 25 CYS HA . 11186 1 251 . 1 1 25 25 CYS HB2 H 1 3.023 0.030 . 2 . . . . 25 CYS HB2 . 11186 1 252 . 1 1 25 25 CYS HB3 H 1 3.079 0.030 . 2 . . . . 25 CYS HB3 . 11186 1 253 . 1 1 25 25 CYS C C 13 175.668 0.300 . 1 . . . . 25 CYS C . 11186 1 254 . 1 1 25 25 CYS CA C 13 60.218 0.300 . 1 . . . . 25 CYS CA . 11186 1 255 . 1 1 25 25 CYS CB C 13 27.337 0.300 . 1 . . . . 25 CYS CB . 11186 1 256 . 1 1 26 26 LYS H H 1 8.478 0.030 . 1 . . . . 26 LYS H . 11186 1 257 . 1 1 26 26 LYS HA H 1 4.365 0.030 . 1 . . . . 26 LYS HA . 11186 1 258 . 1 1 26 26 LYS HB2 H 1 1.990 0.030 . 1 . . . . 26 LYS HB2 . 11186 1 259 . 1 1 26 26 LYS HB3 H 1 1.990 0.030 . 1 . . . . 26 LYS HB3 . 11186 1 260 . 1 1 26 26 LYS HD2 H 1 1.706 0.030 . 1 . . . . 26 LYS HD2 . 11186 1 261 . 1 1 26 26 LYS HD3 H 1 1.706 0.030 . 1 . . . . 26 LYS HD3 . 11186 1 262 . 1 1 26 26 LYS HE2 H 1 2.999 0.030 . 1 . . . . 26 LYS HE2 . 11186 1 263 . 1 1 26 26 LYS HE3 H 1 2.999 0.030 . 1 . . . . 26 LYS HE3 . 11186 1 264 . 1 1 26 26 LYS HG2 H 1 1.458 0.030 . 2 . . . . 26 LYS HG2 . 11186 1 265 . 1 1 26 26 LYS HG3 H 1 1.578 0.030 . 2 . . . . 26 LYS HG3 . 11186 1 266 . 1 1 26 26 LYS C C 13 177.543 0.300 . 1 . . . . 26 LYS C . 11186 1 267 . 1 1 26 26 LYS CA C 13 56.733 0.300 . 1 . . . . 26 LYS CA . 11186 1 268 . 1 1 26 26 LYS CB C 13 32.142 0.300 . 1 . . . . 26 LYS CB . 11186 1 269 . 1 1 26 26 LYS CD C 13 28.791 0.300 . 1 . . . . 26 LYS CD . 11186 1 270 . 1 1 26 26 LYS CE C 13 41.916 0.300 . 1 . . . . 26 LYS CE . 11186 1 271 . 1 1 26 26 LYS CG C 13 25.207 0.300 . 1 . . . . 26 LYS CG . 11186 1 272 . 1 1 26 26 LYS N N 15 121.594 0.300 . 1 . . . . 26 LYS N . 11186 1 273 . 1 1 27 27 GLY H H 1 8.023 0.030 . 1 . . . . 27 GLY H . 11186 1 274 . 1 1 27 27 GLY HA2 H 1 3.623 0.030 . 2 . . . . 27 GLY HA2 . 11186 1 275 . 1 1 27 27 GLY HA3 H 1 4.467 0.030 . 2 . . . . 27 GLY HA3 . 11186 1 276 . 1 1 27 27 GLY C C 13 174.217 0.300 . 1 . . . . 27 GLY C . 11186 1 277 . 1 1 27 27 GLY CA C 13 44.779 0.300 . 1 . . . . 27 GLY CA . 11186 1 278 . 1 1 27 27 GLY N N 15 106.581 0.300 . 1 . . . . 27 GLY N . 11186 1 279 . 1 1 28 28 LEU H H 1 8.910 0.030 . 1 . . . . 28 LEU H . 11186 1 280 . 1 1 28 28 LEU HA H 1 4.247 0.030 . 1 . . . . 28 LEU HA . 11186 1 281 . 1 1 28 28 LEU HB2 H 1 1.584 0.030 . 2 . . . . 28 LEU HB2 . 11186 1 282 . 1 1 28 28 LEU HB3 H 1 1.493 0.030 . 2 . . . . 28 LEU HB3 . 11186 1 283 . 1 1 28 28 LEU HD11 H 1 0.833 0.030 . 1 . . . . 28 LEU HD1 . 11186 1 284 . 1 1 28 28 LEU HD12 H 1 0.833 0.030 . 1 . . . . 28 LEU HD1 . 11186 1 285 . 1 1 28 28 LEU HD13 H 1 0.833 0.030 . 1 . . . . 28 LEU HD1 . 11186 1 286 . 1 1 28 28 LEU HD21 H 1 0.943 0.030 . 1 . . . . 28 LEU HD2 . 11186 1 287 . 1 1 28 28 LEU HD22 H 1 0.943 0.030 . 1 . . . . 28 LEU HD2 . 11186 1 288 . 1 1 28 28 LEU HD23 H 1 0.943 0.030 . 1 . . . . 28 LEU HD2 . 11186 1 289 . 1 1 28 28 LEU HG H 1 1.567 0.030 . 1 . . . . 28 LEU HG . 11186 1 290 . 1 1 28 28 LEU CA C 13 55.645 0.300 . 1 . . . . 28 LEU CA . 11186 1 291 . 1 1 28 28 LEU CB C 13 43.626 0.300 . 1 . . . . 28 LEU CB . 11186 1 292 . 1 1 28 28 LEU CD1 C 13 23.601 0.300 . 2 . . . . 28 LEU CD1 . 11186 1 293 . 1 1 28 28 LEU CD2 C 13 26.479 0.300 . 2 . . . . 28 LEU CD2 . 11186 1 294 . 1 1 28 28 LEU CG C 13 27.326 0.300 . 1 . . . . 28 LEU CG . 11186 1 295 . 1 1 29 29 GLY H H 1 8.584 0.030 . 1 . . . . 29 GLY H . 11186 1 296 . 1 1 29 29 GLY HA2 H 1 3.879 0.030 . 2 . . . . 29 GLY HA2 . 11186 1 297 . 1 1 29 29 GLY HA3 H 1 4.123 0.030 . 2 . . . . 29 GLY HA3 . 11186 1 298 . 1 1 29 29 GLY C C 13 176.255 0.300 . 1 . . . . 29 GLY C . 11186 1 299 . 1 1 29 29 GLY CA C 13 47.253 0.300 . 1 . . . . 29 GLY CA . 11186 1 300 . 1 1 29 29 GLY N N 15 104.589 0.300 . 1 . . . . 29 GLY N . 11186 1 301 . 1 1 30 30 PHE H H 1 7.462 0.030 . 1 . . . . 30 PHE H . 11186 1 302 . 1 1 30 30 PHE HA H 1 5.418 0.030 . 1 . . . . 30 PHE HA . 11186 1 303 . 1 1 30 30 PHE HB2 H 1 3.001 0.030 . 2 . . . . 30 PHE HB2 . 11186 1 304 . 1 1 30 30 PHE HB3 H 1 3.322 0.030 . 2 . . . . 30 PHE HB3 . 11186 1 305 . 1 1 30 30 PHE HD1 H 1 6.858 0.030 . 1 . . . . 30 PHE HD1 . 11186 1 306 . 1 1 30 30 PHE HD2 H 1 6.858 0.030 . 1 . . . . 30 PHE HD2 . 11186 1 307 . 1 1 30 30 PHE HE1 H 1 6.894 0.030 . 1 . . . . 30 PHE HE1 . 11186 1 308 . 1 1 30 30 PHE HE2 H 1 6.894 0.030 . 1 . . . . 30 PHE HE2 . 11186 1 309 . 1 1 30 30 PHE HZ H 1 6.879 0.030 . 1 . . . . 30 PHE HZ . 11186 1 310 . 1 1 30 30 PHE C C 13 172.065 0.300 . 1 . . . . 30 PHE C . 11186 1 311 . 1 1 30 30 PHE CA C 13 56.738 0.300 . 1 . . . . 30 PHE CA . 11186 1 312 . 1 1 30 30 PHE CB C 13 41.221 0.300 . 1 . . . . 30 PHE CB . 11186 1 313 . 1 1 30 30 PHE CD1 C 13 132.308 0.300 . 1 . . . . 30 PHE CD1 . 11186 1 314 . 1 1 30 30 PHE CD2 C 13 132.308 0.300 . 1 . . . . 30 PHE CD2 . 11186 1 315 . 1 1 30 30 PHE CE1 C 13 130.522 0.300 . 1 . . . . 30 PHE CE1 . 11186 1 316 . 1 1 30 30 PHE CE2 C 13 130.522 0.300 . 1 . . . . 30 PHE CE2 . 11186 1 317 . 1 1 30 30 PHE CZ C 13 128.278 0.300 . 1 . . . . 30 PHE CZ . 11186 1 318 . 1 1 30 30 PHE N N 15 115.549 0.300 . 1 . . . . 30 PHE N . 11186 1 319 . 1 1 31 31 SER H H 1 8.682 0.030 . 1 . . . . 31 SER H . 11186 1 320 . 1 1 31 31 SER HA H 1 4.996 0.030 . 1 . . . . 31 SER HA . 11186 1 321 . 1 1 31 31 SER HB2 H 1 3.862 0.030 . 2 . . . . 31 SER HB2 . 11186 1 322 . 1 1 31 31 SER HB3 H 1 3.966 0.030 . 2 . . . . 31 SER HB3 . 11186 1 323 . 1 1 31 31 SER C C 13 174.784 0.300 . 1 . . . . 31 SER C . 11186 1 324 . 1 1 31 31 SER CA C 13 55.766 0.300 . 1 . . . . 31 SER CA . 11186 1 325 . 1 1 31 31 SER CB C 13 66.391 0.300 . 1 . . . . 31 SER CB . 11186 1 326 . 1 1 31 31 SER N N 15 115.093 0.300 . 1 . . . . 31 SER N . 11186 1 327 . 1 1 32 32 ILE H H 1 8.574 0.030 . 1 . . . . 32 ILE H . 11186 1 328 . 1 1 32 32 ILE HA H 1 5.512 0.030 . 1 . . . . 32 ILE HA . 11186 1 329 . 1 1 32 32 ILE HB H 1 1.889 0.030 . 1 . . . . 32 ILE HB . 11186 1 330 . 1 1 32 32 ILE HD11 H 1 0.700 0.030 . 1 . . . . 32 ILE HD1 . 11186 1 331 . 1 1 32 32 ILE HD12 H 1 0.700 0.030 . 1 . . . . 32 ILE HD1 . 11186 1 332 . 1 1 32 32 ILE HD13 H 1 0.700 0.030 . 1 . . . . 32 ILE HD1 . 11186 1 333 . 1 1 32 32 ILE HG12 H 1 0.982 0.030 . 2 . . . . 32 ILE HG12 . 11186 1 334 . 1 1 32 32 ILE HG13 H 1 1.362 0.030 . 2 . . . . 32 ILE HG13 . 11186 1 335 . 1 1 32 32 ILE HG21 H 1 0.916 0.030 . 1 . . . . 32 ILE HG2 . 11186 1 336 . 1 1 32 32 ILE HG22 H 1 0.916 0.030 . 1 . . . . 32 ILE HG2 . 11186 1 337 . 1 1 32 32 ILE HG23 H 1 0.916 0.030 . 1 . . . . 32 ILE HG2 . 11186 1 338 . 1 1 32 32 ILE C C 13 173.888 0.300 . 1 . . . . 32 ILE C . 11186 1 339 . 1 1 32 32 ILE CA C 13 59.898 0.300 . 1 . . . . 32 ILE CA . 11186 1 340 . 1 1 32 32 ILE CB C 13 43.110 0.300 . 1 . . . . 32 ILE CB . 11186 1 341 . 1 1 32 32 ILE CD1 C 13 15.445 0.300 . 1 . . . . 32 ILE CD1 . 11186 1 342 . 1 1 32 32 ILE CG1 C 13 24.748 0.300 . 1 . . . . 32 ILE CG1 . 11186 1 343 . 1 1 32 32 ILE CG2 C 13 19.688 0.300 . 1 . . . . 32 ILE CG2 . 11186 1 344 . 1 1 32 32 ILE N N 15 114.731 0.300 . 1 . . . . 32 ILE N . 11186 1 345 . 1 1 33 33 LEU H H 1 9.101 0.030 . 1 . . . . 33 LEU H . 11186 1 346 . 1 1 33 33 LEU HA H 1 4.595 0.030 . 1 . . . . 33 LEU HA . 11186 1 347 . 1 1 33 33 LEU HB2 H 1 1.531 0.030 . 2 . . . . 33 LEU HB2 . 11186 1 348 . 1 1 33 33 LEU HB3 H 1 1.624 0.030 . 2 . . . . 33 LEU HB3 . 11186 1 349 . 1 1 33 33 LEU HD11 H 1 0.916 0.030 . 1 . . . . 33 LEU HD1 . 11186 1 350 . 1 1 33 33 LEU HD12 H 1 0.916 0.030 . 1 . . . . 33 LEU HD1 . 11186 1 351 . 1 1 33 33 LEU HD13 H 1 0.916 0.030 . 1 . . . . 33 LEU HD1 . 11186 1 352 . 1 1 33 33 LEU HD21 H 1 1.001 0.030 . 1 . . . . 33 LEU HD2 . 11186 1 353 . 1 1 33 33 LEU HD22 H 1 1.001 0.030 . 1 . . . . 33 LEU HD2 . 11186 1 354 . 1 1 33 33 LEU HD23 H 1 1.001 0.030 . 1 . . . . 33 LEU HD2 . 11186 1 355 . 1 1 33 33 LEU HG H 1 1.850 0.030 . 1 . . . . 33 LEU HG . 11186 1 356 . 1 1 33 33 LEU C C 13 173.214 0.300 . 1 . . . . 33 LEU C . 11186 1 357 . 1 1 33 33 LEU CA C 13 54.451 0.300 . 1 . . . . 33 LEU CA . 11186 1 358 . 1 1 33 33 LEU CB C 13 46.802 0.300 . 1 . . . . 33 LEU CB . 11186 1 359 . 1 1 33 33 LEU CD1 C 13 25.617 0.300 . 2 . . . . 33 LEU CD1 . 11186 1 360 . 1 1 33 33 LEU CD2 C 13 24.414 0.300 . 2 . . . . 33 LEU CD2 . 11186 1 361 . 1 1 33 33 LEU CG C 13 26.674 0.300 . 1 . . . . 33 LEU CG . 11186 1 362 . 1 1 33 33 LEU N N 15 120.938 0.300 . 1 . . . . 33 LEU N . 11186 1 363 . 1 1 34 34 ASP H H 1 8.950 0.030 . 1 . . . . 34 ASP H . 11186 1 364 . 1 1 34 34 ASP HA H 1 5.496 0.030 . 1 . . . . 34 ASP HA . 11186 1 365 . 1 1 34 34 ASP HB2 H 1 2.485 0.030 . 2 . . . . 34 ASP HB2 . 11186 1 366 . 1 1 34 34 ASP HB3 H 1 2.602 0.030 . 2 . . . . 34 ASP HB3 . 11186 1 367 . 1 1 34 34 ASP C C 13 174.570 0.300 . 1 . . . . 34 ASP C . 11186 1 368 . 1 1 34 34 ASP CA C 13 52.142 0.300 . 1 . . . . 34 ASP CA . 11186 1 369 . 1 1 34 34 ASP CB C 13 41.885 0.300 . 1 . . . . 34 ASP CB . 11186 1 370 . 1 1 34 34 ASP N N 15 118.672 0.300 . 1 . . . . 34 ASP N . 11186 1 371 . 1 1 35 35 TYR H H 1 8.821 0.030 . 1 . . . . 35 TYR H . 11186 1 372 . 1 1 35 35 TYR HA H 1 4.682 0.030 . 1 . . . . 35 TYR HA . 11186 1 373 . 1 1 35 35 TYR HB2 H 1 2.738 0.030 . 2 . . . . 35 TYR HB2 . 11186 1 374 . 1 1 35 35 TYR HB3 H 1 2.905 0.030 . 2 . . . . 35 TYR HB3 . 11186 1 375 . 1 1 35 35 TYR HD1 H 1 7.119 0.030 . 1 . . . . 35 TYR HD1 . 11186 1 376 . 1 1 35 35 TYR HD2 H 1 7.119 0.030 . 1 . . . . 35 TYR HD2 . 11186 1 377 . 1 1 35 35 TYR HE1 H 1 6.792 0.030 . 1 . . . . 35 TYR HE1 . 11186 1 378 . 1 1 35 35 TYR HE2 H 1 6.792 0.030 . 1 . . . . 35 TYR HE2 . 11186 1 379 . 1 1 35 35 TYR C C 13 174.387 0.300 . 1 . . . . 35 TYR C . 11186 1 380 . 1 1 35 35 TYR CA C 13 56.975 0.300 . 1 . . . . 35 TYR CA . 11186 1 381 . 1 1 35 35 TYR CB C 13 41.986 0.300 . 1 . . . . 35 TYR CB . 11186 1 382 . 1 1 35 35 TYR CD1 C 13 132.922 0.300 . 1 . . . . 35 TYR CD1 . 11186 1 383 . 1 1 35 35 TYR CD2 C 13 132.922 0.300 . 1 . . . . 35 TYR CD2 . 11186 1 384 . 1 1 35 35 TYR CE1 C 13 117.871 0.300 . 1 . . . . 35 TYR CE1 . 11186 1 385 . 1 1 35 35 TYR CE2 C 13 117.871 0.300 . 1 . . . . 35 TYR CE2 . 11186 1 386 . 1 1 35 35 TYR N N 15 121.393 0.300 . 1 . . . . 35 TYR N . 11186 1 387 . 1 1 36 36 GLN H H 1 8.175 0.030 . 1 . . . . 36 GLN H . 11186 1 388 . 1 1 36 36 GLN HA H 1 4.400 0.030 . 1 . . . . 36 GLN HA . 11186 1 389 . 1 1 36 36 GLN HB2 H 1 1.846 0.030 . 2 . . . . 36 GLN HB2 . 11186 1 390 . 1 1 36 36 GLN HB3 H 1 1.889 0.030 . 2 . . . . 36 GLN HB3 . 11186 1 391 . 1 1 36 36 GLN HE21 H 1 6.837 0.030 . 2 . . . . 36 GLN HE21 . 11186 1 392 . 1 1 36 36 GLN HE22 H 1 7.739 0.030 . 2 . . . . 36 GLN HE22 . 11186 1 393 . 1 1 36 36 GLN HG2 H 1 2.292 0.030 . 1 . . . . 36 GLN HG2 . 11186 1 394 . 1 1 36 36 GLN HG3 H 1 2.292 0.030 . 1 . . . . 36 GLN HG3 . 11186 1 395 . 1 1 36 36 GLN C C 13 174.808 0.300 . 1 . . . . 36 GLN C . 11186 1 396 . 1 1 36 36 GLN CA C 13 55.435 0.300 . 1 . . . . 36 GLN CA . 11186 1 397 . 1 1 36 36 GLN CB C 13 29.978 0.300 . 1 . . . . 36 GLN CB . 11186 1 398 . 1 1 36 36 GLN CG C 13 34.239 0.300 . 1 . . . . 36 GLN CG . 11186 1 399 . 1 1 36 36 GLN N N 15 125.282 0.300 . 1 . . . . 36 GLN N . 11186 1 400 . 1 1 36 36 GLN NE2 N 15 113.591 0.300 . 1 . . . . 36 GLN NE2 . 11186 1 401 . 1 1 37 37 ASP H H 1 8.412 0.030 . 1 . . . . 37 ASP H . 11186 1 402 . 1 1 37 37 ASP HA H 1 4.527 0.030 . 1 . . . . 37 ASP HA . 11186 1 403 . 1 1 37 37 ASP HB2 H 1 2.280 0.030 . 2 . . . . 37 ASP HB2 . 11186 1 404 . 1 1 37 37 ASP HB3 H 1 3.533 0.030 . 2 . . . . 37 ASP HB3 . 11186 1 405 . 1 1 37 37 ASP C C 13 176.199 0.300 . 1 . . . . 37 ASP C . 11186 1 406 . 1 1 37 37 ASP CA C 13 52.141 0.300 . 1 . . . . 37 ASP CA . 11186 1 407 . 1 1 37 37 ASP CB C 13 42.494 0.300 . 1 . . . . 37 ASP CB . 11186 1 408 . 1 1 37 37 ASP N N 15 127.305 0.300 . 1 . . . . 37 ASP N . 11186 1 409 . 1 1 38 38 PRO HA H 1 4.312 0.030 . 1 . . . . 38 PRO HA . 11186 1 410 . 1 1 38 38 PRO HB2 H 1 1.912 0.030 . 2 . . . . 38 PRO HB2 . 11186 1 411 . 1 1 38 38 PRO HB3 H 1 2.357 0.030 . 2 . . . . 38 PRO HB3 . 11186 1 412 . 1 1 38 38 PRO HD2 H 1 4.007 0.030 . 2 . . . . 38 PRO HD2 . 11186 1 413 . 1 1 38 38 PRO HD3 H 1 4.121 0.030 . 2 . . . . 38 PRO HD3 . 11186 1 414 . 1 1 38 38 PRO HG2 H 1 2.025 0.030 . 2 . . . . 38 PRO HG2 . 11186 1 415 . 1 1 38 38 PRO HG3 H 1 2.070 0.030 . 2 . . . . 38 PRO HG3 . 11186 1 416 . 1 1 38 38 PRO C C 13 177.762 0.300 . 1 . . . . 38 PRO C . 11186 1 417 . 1 1 38 38 PRO CA C 13 64.210 0.300 . 1 . . . . 38 PRO CA . 11186 1 418 . 1 1 38 38 PRO CB C 13 32.326 0.300 . 1 . . . . 38 PRO CB . 11186 1 419 . 1 1 38 38 PRO CD C 13 50.914 0.300 . 1 . . . . 38 PRO CD . 11186 1 420 . 1 1 38 38 PRO CG C 13 27.404 0.300 . 1 . . . . 38 PRO CG . 11186 1 421 . 1 1 39 39 LEU H H 1 8.601 0.030 . 1 . . . . 39 LEU H . 11186 1 422 . 1 1 39 39 LEU HA H 1 4.359 0.030 . 1 . . . . 39 LEU HA . 11186 1 423 . 1 1 39 39 LEU HB2 H 1 1.555 0.030 . 2 . . . . 39 LEU HB2 . 11186 1 424 . 1 1 39 39 LEU HB3 H 1 1.784 0.030 . 2 . . . . 39 LEU HB3 . 11186 1 425 . 1 1 39 39 LEU HD11 H 1 0.939 0.030 . 1 . . . . 39 LEU HD1 . 11186 1 426 . 1 1 39 39 LEU HD12 H 1 0.939 0.030 . 1 . . . . 39 LEU HD1 . 11186 1 427 . 1 1 39 39 LEU HD13 H 1 0.939 0.030 . 1 . . . . 39 LEU HD1 . 11186 1 428 . 1 1 39 39 LEU HD21 H 1 0.837 0.030 . 1 . . . . 39 LEU HD2 . 11186 1 429 . 1 1 39 39 LEU HD22 H 1 0.837 0.030 . 1 . . . . 39 LEU HD2 . 11186 1 430 . 1 1 39 39 LEU HD23 H 1 0.837 0.030 . 1 . . . . 39 LEU HD2 . 11186 1 431 . 1 1 39 39 LEU HG H 1 1.605 0.030 . 1 . . . . 39 LEU HG . 11186 1 432 . 1 1 39 39 LEU C C 13 177.781 0.300 . 1 . . . . 39 LEU C . 11186 1 433 . 1 1 39 39 LEU CA C 13 54.828 0.300 . 1 . . . . 39 LEU CA . 11186 1 434 . 1 1 39 39 LEU CB C 13 42.101 0.300 . 1 . . . . 39 LEU CB . 11186 1 435 . 1 1 39 39 LEU CD1 C 13 25.129 0.300 . 2 . . . . 39 LEU CD1 . 11186 1 436 . 1 1 39 39 LEU CD2 C 13 22.618 0.300 . 2 . . . . 39 LEU CD2 . 11186 1 437 . 1 1 39 39 LEU CG C 13 27.260 0.300 . 1 . . . . 39 LEU CG . 11186 1 438 . 1 1 39 39 LEU N N 15 116.822 0.300 . 1 . . . . 39 LEU N . 11186 1 439 . 1 1 40 40 ASP H H 1 7.511 0.030 . 1 . . . . 40 ASP H . 11186 1 440 . 1 1 40 40 ASP HA H 1 4.866 0.030 . 1 . . . . 40 ASP HA . 11186 1 441 . 1 1 40 40 ASP HB2 H 1 2.514 0.030 . 2 . . . . 40 ASP HB2 . 11186 1 442 . 1 1 40 40 ASP HB3 H 1 2.735 0.030 . 2 . . . . 40 ASP HB3 . 11186 1 443 . 1 1 40 40 ASP C C 13 173.313 0.300 . 1 . . . . 40 ASP C . 11186 1 444 . 1 1 40 40 ASP CA C 13 51.190 0.300 . 1 . . . . 40 ASP CA . 11186 1 445 . 1 1 40 40 ASP CB C 13 41.102 0.300 . 1 . . . . 40 ASP CB . 11186 1 446 . 1 1 40 40 ASP N N 15 116.762 0.300 . 1 . . . . 40 ASP N . 11186 1 447 . 1 1 41 41 PRO HA H 1 4.540 0.030 . 1 . . . . 41 PRO HA . 11186 1 448 . 1 1 41 41 PRO HB2 H 1 2.007 0.030 . 2 . . . . 41 PRO HB2 . 11186 1 449 . 1 1 41 41 PRO HB3 H 1 2.314 0.030 . 2 . . . . 41 PRO HB3 . 11186 1 450 . 1 1 41 41 PRO HD2 H 1 3.589 0.030 . 2 . . . . 41 PRO HD2 . 11186 1 451 . 1 1 41 41 PRO HD3 H 1 3.875 0.030 . 2 . . . . 41 PRO HD3 . 11186 1 452 . 1 1 41 41 PRO HG2 H 1 1.949 0.030 . 2 . . . . 41 PRO HG2 . 11186 1 453 . 1 1 41 41 PRO HG3 H 1 2.015 0.030 . 2 . . . . 41 PRO HG3 . 11186 1 454 . 1 1 41 41 PRO C C 13 177.460 0.300 . 1 . . . . 41 PRO C . 11186 1 455 . 1 1 41 41 PRO CA C 13 64.086 0.300 . 1 . . . . 41 PRO CA . 11186 1 456 . 1 1 41 41 PRO CB C 13 32.220 0.300 . 1 . . . . 41 PRO CB . 11186 1 457 . 1 1 41 41 PRO CD C 13 50.574 0.300 . 1 . . . . 41 PRO CD . 11186 1 458 . 1 1 41 41 PRO CG C 13 26.797 0.300 . 1 . . . . 41 PRO CG . 11186 1 459 . 1 1 42 42 THR H H 1 8.105 0.030 . 1 . . . . 42 THR H . 11186 1 460 . 1 1 42 42 THR HA H 1 4.324 0.030 . 1 . . . . 42 THR HA . 11186 1 461 . 1 1 42 42 THR HB H 1 4.351 0.030 . 1 . . . . 42 THR HB . 11186 1 462 . 1 1 42 42 THR HG21 H 1 1.223 0.030 . 1 . . . . 42 THR HG2 . 11186 1 463 . 1 1 42 42 THR HG22 H 1 1.223 0.030 . 1 . . . . 42 THR HG2 . 11186 1 464 . 1 1 42 42 THR HG23 H 1 1.223 0.030 . 1 . . . . 42 THR HG2 . 11186 1 465 . 1 1 42 42 THR C C 13 174.419 0.300 . 1 . . . . 42 THR C . 11186 1 466 . 1 1 42 42 THR CA C 13 62.681 0.300 . 1 . . . . 42 THR CA . 11186 1 467 . 1 1 42 42 THR CB C 13 69.254 0.300 . 1 . . . . 42 THR CB . 11186 1 468 . 1 1 42 42 THR CG2 C 13 21.574 0.300 . 1 . . . . 42 THR CG2 . 11186 1 469 . 1 1 42 42 THR N N 15 109.342 0.300 . 1 . . . . 42 THR N . 11186 1 470 . 1 1 43 43 ARG H H 1 8.111 0.030 . 1 . . . . 43 ARG H . 11186 1 471 . 1 1 43 43 ARG HA H 1 4.853 0.030 . 1 . . . . 43 ARG HA . 11186 1 472 . 1 1 43 43 ARG HB2 H 1 1.837 0.030 . 2 . . . . 43 ARG HB2 . 11186 1 473 . 1 1 43 43 ARG HB3 H 1 1.987 0.030 . 2 . . . . 43 ARG HB3 . 11186 1 474 . 1 1 43 43 ARG HD2 H 1 3.200 0.030 . 1 . . . . 43 ARG HD2 . 11186 1 475 . 1 1 43 43 ARG HD3 H 1 3.200 0.030 . 1 . . . . 43 ARG HD3 . 11186 1 476 . 1 1 43 43 ARG HE H 1 7.350 0.030 . 1 . . . . 43 ARG HE . 11186 1 477 . 1 1 43 43 ARG HG2 H 1 1.521 0.030 . 2 . . . . 43 ARG HG2 . 11186 1 478 . 1 1 43 43 ARG HG3 H 1 1.607 0.030 . 2 . . . . 43 ARG HG3 . 11186 1 479 . 1 1 43 43 ARG C C 13 174.990 0.300 . 1 . . . . 43 ARG C . 11186 1 480 . 1 1 43 43 ARG CA C 13 54.783 0.300 . 1 . . . . 43 ARG CA . 11186 1 481 . 1 1 43 43 ARG CB C 13 32.910 0.300 . 1 . . . . 43 ARG CB . 11186 1 482 . 1 1 43 43 ARG CD C 13 43.591 0.300 . 1 . . . . 43 ARG CD . 11186 1 483 . 1 1 43 43 ARG CG C 13 27.523 0.300 . 1 . . . . 43 ARG CG . 11186 1 484 . 1 1 43 43 ARG N N 15 123.480 0.300 . 1 . . . . 43 ARG N . 11186 1 485 . 1 1 43 43 ARG NE N 15 85.206 0.300 . 1 . . . . 43 ARG NE . 11186 1 486 . 1 1 44 44 SER H H 1 8.531 0.030 . 1 . . . . 44 SER H . 11186 1 487 . 1 1 44 44 SER HA H 1 5.266 0.030 . 1 . . . . 44 SER HA . 11186 1 488 . 1 1 44 44 SER HB2 H 1 3.763 0.030 . 1 . . . . 44 SER HB2 . 11186 1 489 . 1 1 44 44 SER HB3 H 1 3.763 0.030 . 1 . . . . 44 SER HB3 . 11186 1 490 . 1 1 44 44 SER C C 13 173.730 0.300 . 1 . . . . 44 SER C . 11186 1 491 . 1 1 44 44 SER CA C 13 57.195 0.300 . 1 . . . . 44 SER CA . 11186 1 492 . 1 1 44 44 SER CB C 13 65.951 0.300 . 1 . . . . 44 SER CB . 11186 1 493 . 1 1 44 44 SER N N 15 117.087 0.300 . 1 . . . . 44 SER N . 11186 1 494 . 1 1 45 45 VAL H H 1 9.073 0.030 . 1 . . . . 45 VAL H . 11186 1 495 . 1 1 45 45 VAL HA H 1 4.566 0.030 . 1 . . . . 45 VAL HA . 11186 1 496 . 1 1 45 45 VAL HB H 1 1.972 0.030 . 1 . . . . 45 VAL HB . 11186 1 497 . 1 1 45 45 VAL HG11 H 1 0.669 0.030 . 1 . . . . 45 VAL HG1 . 11186 1 498 . 1 1 45 45 VAL HG12 H 1 0.669 0.030 . 1 . . . . 45 VAL HG1 . 11186 1 499 . 1 1 45 45 VAL HG13 H 1 0.669 0.030 . 1 . . . . 45 VAL HG1 . 11186 1 500 . 1 1 45 45 VAL HG21 H 1 0.685 0.030 . 1 . . . . 45 VAL HG2 . 11186 1 501 . 1 1 45 45 VAL HG22 H 1 0.685 0.030 . 1 . . . . 45 VAL HG2 . 11186 1 502 . 1 1 45 45 VAL HG23 H 1 0.685 0.030 . 1 . . . . 45 VAL HG2 . 11186 1 503 . 1 1 45 45 VAL C C 13 173.682 0.300 . 1 . . . . 45 VAL C . 11186 1 504 . 1 1 45 45 VAL CA C 13 59.658 0.300 . 1 . . . . 45 VAL CA . 11186 1 505 . 1 1 45 45 VAL CB C 13 34.819 0.300 . 1 . . . . 45 VAL CB . 11186 1 506 . 1 1 45 45 VAL CG1 C 13 21.433 0.300 . 2 . . . . 45 VAL CG1 . 11186 1 507 . 1 1 45 45 VAL CG2 C 13 19.301 0.300 . 2 . . . . 45 VAL CG2 . 11186 1 508 . 1 1 45 45 VAL N N 15 117.944 0.300 . 1 . . . . 45 VAL N . 11186 1 509 . 1 1 46 46 ILE H H 1 8.525 0.030 . 1 . . . . 46 ILE H . 11186 1 510 . 1 1 46 46 ILE HA H 1 4.722 0.030 . 1 . . . . 46 ILE HA . 11186 1 511 . 1 1 46 46 ILE HB H 1 2.232 0.030 . 1 . . . . 46 ILE HB . 11186 1 512 . 1 1 46 46 ILE HD11 H 1 0.625 0.030 . 1 . . . . 46 ILE HD1 . 11186 1 513 . 1 1 46 46 ILE HD12 H 1 0.625 0.030 . 1 . . . . 46 ILE HD1 . 11186 1 514 . 1 1 46 46 ILE HD13 H 1 0.625 0.030 . 1 . . . . 46 ILE HD1 . 11186 1 515 . 1 1 46 46 ILE HG12 H 1 1.198 0.030 . 2 . . . . 46 ILE HG12 . 11186 1 516 . 1 1 46 46 ILE HG13 H 1 1.669 0.030 . 2 . . . . 46 ILE HG13 . 11186 1 517 . 1 1 46 46 ILE HG21 H 1 0.839 0.030 . 1 . . . . 46 ILE HG2 . 11186 1 518 . 1 1 46 46 ILE HG22 H 1 0.839 0.030 . 1 . . . . 46 ILE HG2 . 11186 1 519 . 1 1 46 46 ILE HG23 H 1 0.839 0.030 . 1 . . . . 46 ILE HG2 . 11186 1 520 . 1 1 46 46 ILE C C 13 175.046 0.300 . 1 . . . . 46 ILE C . 11186 1 521 . 1 1 46 46 ILE CA C 13 58.007 0.300 . 1 . . . . 46 ILE CA . 11186 1 522 . 1 1 46 46 ILE CB C 13 36.034 0.300 . 1 . . . . 46 ILE CB . 11186 1 523 . 1 1 46 46 ILE CD1 C 13 9.041 0.300 . 1 . . . . 46 ILE CD1 . 11186 1 524 . 1 1 46 46 ILE CG1 C 13 27.067 0.300 . 1 . . . . 46 ILE CG1 . 11186 1 525 . 1 1 46 46 ILE CG2 C 13 20.131 0.300 . 1 . . . . 46 ILE CG2 . 11186 1 526 . 1 1 46 46 ILE N N 15 122.738 0.300 . 1 . . . . 46 ILE N . 11186 1 527 . 1 1 47 47 VAL H H 1 9.002 0.030 . 1 . . . . 47 VAL H . 11186 1 528 . 1 1 47 47 VAL HA H 1 5.085 0.030 . 1 . . . . 47 VAL HA . 11186 1 529 . 1 1 47 47 VAL HB H 1 1.803 0.030 . 1 . . . . 47 VAL HB . 11186 1 530 . 1 1 47 47 VAL HG11 H 1 0.785 0.030 . 1 . . . . 47 VAL HG1 . 11186 1 531 . 1 1 47 47 VAL HG12 H 1 0.785 0.030 . 1 . . . . 47 VAL HG1 . 11186 1 532 . 1 1 47 47 VAL HG13 H 1 0.785 0.030 . 1 . . . . 47 VAL HG1 . 11186 1 533 . 1 1 47 47 VAL HG21 H 1 0.688 0.030 . 1 . . . . 47 VAL HG2 . 11186 1 534 . 1 1 47 47 VAL HG22 H 1 0.688 0.030 . 1 . . . . 47 VAL HG2 . 11186 1 535 . 1 1 47 47 VAL HG23 H 1 0.688 0.030 . 1 . . . . 47 VAL HG2 . 11186 1 536 . 1 1 47 47 VAL C C 13 175.680 0.300 . 1 . . . . 47 VAL C . 11186 1 537 . 1 1 47 47 VAL CA C 13 58.450 0.300 . 1 . . . . 47 VAL CA . 11186 1 538 . 1 1 47 47 VAL CB C 13 35.987 0.300 . 1 . . . . 47 VAL CB . 11186 1 539 . 1 1 47 47 VAL CG1 C 13 21.322 0.300 . 2 . . . . 47 VAL CG1 . 11186 1 540 . 1 1 47 47 VAL CG2 C 13 20.784 0.300 . 2 . . . . 47 VAL CG2 . 11186 1 541 . 1 1 47 47 VAL N N 15 122.446 0.300 . 1 . . . . 47 VAL N . 11186 1 542 . 1 1 48 48 ILE H H 1 8.806 0.030 . 1 . . . . 48 ILE H . 11186 1 543 . 1 1 48 48 ILE HA H 1 4.101 0.030 . 1 . . . . 48 ILE HA . 11186 1 544 . 1 1 48 48 ILE HB H 1 2.209 0.030 . 1 . . . . 48 ILE HB . 11186 1 545 . 1 1 48 48 ILE HD11 H 1 0.246 0.030 . 1 . . . . 48 ILE HD1 . 11186 1 546 . 1 1 48 48 ILE HD12 H 1 0.246 0.030 . 1 . . . . 48 ILE HD1 . 11186 1 547 . 1 1 48 48 ILE HD13 H 1 0.246 0.030 . 1 . . . . 48 ILE HD1 . 11186 1 548 . 1 1 48 48 ILE HG12 H 1 1.068 0.030 . 2 . . . . 48 ILE HG12 . 11186 1 549 . 1 1 48 48 ILE HG13 H 1 1.310 0.030 . 2 . . . . 48 ILE HG13 . 11186 1 550 . 1 1 48 48 ILE HG21 H 1 0.574 0.030 . 1 . . . . 48 ILE HG2 . 11186 1 551 . 1 1 48 48 ILE HG22 H 1 0.574 0.030 . 1 . . . . 48 ILE HG2 . 11186 1 552 . 1 1 48 48 ILE HG23 H 1 0.574 0.030 . 1 . . . . 48 ILE HG2 . 11186 1 553 . 1 1 48 48 ILE C C 13 176.069 0.300 . 1 . . . . 48 ILE C . 11186 1 554 . 1 1 48 48 ILE CA C 13 60.190 0.300 . 1 . . . . 48 ILE CA . 11186 1 555 . 1 1 48 48 ILE CB C 13 35.396 0.300 . 1 . . . . 48 ILE CB . 11186 1 556 . 1 1 48 48 ILE CD1 C 13 11.139 0.300 . 1 . . . . 48 ILE CD1 . 11186 1 557 . 1 1 48 48 ILE CG1 C 13 26.753 0.300 . 1 . . . . 48 ILE CG1 . 11186 1 558 . 1 1 48 48 ILE CG2 C 13 17.162 0.300 . 1 . . . . 48 ILE CG2 . 11186 1 559 . 1 1 48 48 ILE N N 15 121.037 0.300 . 1 . . . . 48 ILE N . 11186 1 560 . 1 1 49 49 ARG H H 1 9.532 0.030 . 1 . . . . 49 ARG H . 11186 1 561 . 1 1 49 49 ARG HA H 1 4.352 0.030 . 1 . . . . 49 ARG HA . 11186 1 562 . 1 1 49 49 ARG HB2 H 1 1.457 0.030 . 2 . . . . 49 ARG HB2 . 11186 1 563 . 1 1 49 49 ARG HB3 H 1 1.808 0.030 . 2 . . . . 49 ARG HB3 . 11186 1 564 . 1 1 49 49 ARG HD2 H 1 3.114 0.030 . 2 . . . . 49 ARG HD2 . 11186 1 565 . 1 1 49 49 ARG HD3 H 1 3.152 0.030 . 2 . . . . 49 ARG HD3 . 11186 1 566 . 1 1 49 49 ARG HG2 H 1 1.524 0.030 . 2 . . . . 49 ARG HG2 . 11186 1 567 . 1 1 49 49 ARG HG3 H 1 1.637 0.030 . 2 . . . . 49 ARG HG3 . 11186 1 568 . 1 1 49 49 ARG C C 13 174.847 0.300 . 1 . . . . 49 ARG C . 11186 1 569 . 1 1 49 49 ARG CA C 13 57.152 0.300 . 1 . . . . 49 ARG CA . 11186 1 570 . 1 1 49 49 ARG CB C 13 31.520 0.300 . 1 . . . . 49 ARG CB . 11186 1 571 . 1 1 49 49 ARG CD C 13 43.458 0.300 . 1 . . . . 49 ARG CD . 11186 1 572 . 1 1 49 49 ARG CG C 13 26.812 0.300 . 1 . . . . 49 ARG CG . 11186 1 573 . 1 1 49 49 ARG N N 15 132.533 0.300 . 1 . . . . 49 ARG N . 11186 1 574 . 1 1 50 50 SER H H 1 7.384 0.030 . 1 . . . . 50 SER H . 11186 1 575 . 1 1 50 50 SER HA H 1 4.574 0.030 . 1 . . . . 50 SER HA . 11186 1 576 . 1 1 50 50 SER HB2 H 1 3.782 0.030 . 1 . . . . 50 SER HB2 . 11186 1 577 . 1 1 50 50 SER HB3 H 1 3.782 0.030 . 1 . . . . 50 SER HB3 . 11186 1 578 . 1 1 50 50 SER C C 13 171.597 0.300 . 1 . . . . 50 SER C . 11186 1 579 . 1 1 50 50 SER CA C 13 56.835 0.300 . 1 . . . . 50 SER CA . 11186 1 580 . 1 1 50 50 SER CB C 13 64.987 0.300 . 1 . . . . 50 SER CB . 11186 1 581 . 1 1 50 50 SER N N 15 109.175 0.300 . 1 . . . . 50 SER N . 11186 1 582 . 1 1 51 51 LEU H H 1 8.906 0.030 . 1 . . . . 51 LEU H . 11186 1 583 . 1 1 51 51 LEU HA H 1 5.010 0.030 . 1 . . . . 51 LEU HA . 11186 1 584 . 1 1 51 51 LEU HB2 H 1 1.404 0.030 . 2 . . . . 51 LEU HB2 . 11186 1 585 . 1 1 51 51 LEU HB3 H 1 1.836 0.030 . 2 . . . . 51 LEU HB3 . 11186 1 586 . 1 1 51 51 LEU HD11 H 1 0.996 0.030 . 1 . . . . 51 LEU HD1 . 11186 1 587 . 1 1 51 51 LEU HD12 H 1 0.996 0.030 . 1 . . . . 51 LEU HD1 . 11186 1 588 . 1 1 51 51 LEU HD13 H 1 0.996 0.030 . 1 . . . . 51 LEU HD1 . 11186 1 589 . 1 1 51 51 LEU HD21 H 1 0.731 0.030 . 1 . . . . 51 LEU HD2 . 11186 1 590 . 1 1 51 51 LEU HD22 H 1 0.731 0.030 . 1 . . . . 51 LEU HD2 . 11186 1 591 . 1 1 51 51 LEU HD23 H 1 0.731 0.030 . 1 . . . . 51 LEU HD2 . 11186 1 592 . 1 1 51 51 LEU HG H 1 1.557 0.030 . 1 . . . . 51 LEU HG . 11186 1 593 . 1 1 51 51 LEU C C 13 176.806 0.300 . 1 . . . . 51 LEU C . 11186 1 594 . 1 1 51 51 LEU CA C 13 53.118 0.300 . 1 . . . . 51 LEU CA . 11186 1 595 . 1 1 51 51 LEU CB C 13 43.983 0.300 . 1 . . . . 51 LEU CB . 11186 1 596 . 1 1 51 51 LEU CD1 C 13 25.855 0.300 . 2 . . . . 51 LEU CD1 . 11186 1 597 . 1 1 51 51 LEU CD2 C 13 23.737 0.300 . 2 . . . . 51 LEU CD2 . 11186 1 598 . 1 1 51 51 LEU CG C 13 27.670 0.300 . 1 . . . . 51 LEU CG . 11186 1 599 . 1 1 51 51 LEU N N 15 119.693 0.300 . 1 . . . . 51 LEU N . 11186 1 600 . 1 1 52 52 VAL H H 1 7.862 0.030 . 1 . . . . 52 VAL H . 11186 1 601 . 1 1 52 52 VAL HA H 1 3.841 0.030 . 1 . . . . 52 VAL HA . 11186 1 602 . 1 1 52 52 VAL HB H 1 1.744 0.030 . 1 . . . . 52 VAL HB . 11186 1 603 . 1 1 52 52 VAL HG11 H 1 0.964 0.030 . 1 . . . . 52 VAL HG1 . 11186 1 604 . 1 1 52 52 VAL HG12 H 1 0.964 0.030 . 1 . . . . 52 VAL HG1 . 11186 1 605 . 1 1 52 52 VAL HG13 H 1 0.964 0.030 . 1 . . . . 52 VAL HG1 . 11186 1 606 . 1 1 52 52 VAL HG21 H 1 0.871 0.030 . 1 . . . . 52 VAL HG2 . 11186 1 607 . 1 1 52 52 VAL HG22 H 1 0.871 0.030 . 1 . . . . 52 VAL HG2 . 11186 1 608 . 1 1 52 52 VAL HG23 H 1 0.871 0.030 . 1 . . . . 52 VAL HG2 . 11186 1 609 . 1 1 52 52 VAL C C 13 176.965 0.300 . 1 . . . . 52 VAL C . 11186 1 610 . 1 1 52 52 VAL CA C 13 62.502 0.300 . 1 . . . . 52 VAL CA . 11186 1 611 . 1 1 52 52 VAL CB C 13 32.700 0.300 . 1 . . . . 52 VAL CB . 11186 1 612 . 1 1 52 52 VAL CG1 C 13 20.881 0.300 . 2 . . . . 52 VAL CG1 . 11186 1 613 . 1 1 52 52 VAL CG2 C 13 21.532 0.300 . 2 . . . . 52 VAL CG2 . 11186 1 614 . 1 1 52 52 VAL N N 15 123.388 0.300 . 1 . . . . 52 VAL N . 11186 1 615 . 1 1 53 53 ALA H H 1 9.000 0.030 . 1 . . . . 53 ALA H . 11186 1 616 . 1 1 53 53 ALA HA H 1 4.301 0.030 . 1 . . . . 53 ALA HA . 11186 1 617 . 1 1 53 53 ALA HB1 H 1 1.374 0.030 . 1 . . . . 53 ALA HB . 11186 1 618 . 1 1 53 53 ALA HB2 H 1 1.374 0.030 . 1 . . . . 53 ALA HB . 11186 1 619 . 1 1 53 53 ALA HB3 H 1 1.374 0.030 . 1 . . . . 53 ALA HB . 11186 1 620 . 1 1 53 53 ALA C C 13 178.582 0.300 . 1 . . . . 53 ALA C . 11186 1 621 . 1 1 53 53 ALA CA C 13 53.793 0.300 . 1 . . . . 53 ALA CA . 11186 1 622 . 1 1 53 53 ALA CB C 13 17.812 0.300 . 1 . . . . 53 ALA CB . 11186 1 623 . 1 1 53 53 ALA N N 15 134.854 0.300 . 1 . . . . 53 ALA N . 11186 1 624 . 1 1 54 54 ASP H H 1 9.535 0.030 . 1 . . . . 54 ASP H . 11186 1 625 . 1 1 54 54 ASP HA H 1 4.339 0.030 . 1 . . . . 54 ASP HA . 11186 1 626 . 1 1 54 54 ASP HB2 H 1 2.733 0.030 . 2 . . . . 54 ASP HB2 . 11186 1 627 . 1 1 54 54 ASP HB3 H 1 2.976 0.030 . 2 . . . . 54 ASP HB3 . 11186 1 628 . 1 1 54 54 ASP C C 13 175.585 0.300 . 1 . . . . 54 ASP C . 11186 1 629 . 1 1 54 54 ASP CA C 13 56.056 0.300 . 1 . . . . 54 ASP CA . 11186 1 630 . 1 1 54 54 ASP CB C 13 40.446 0.300 . 1 . . . . 54 ASP CB . 11186 1 631 . 1 1 54 54 ASP N N 15 120.214 0.300 . 1 . . . . 54 ASP N . 11186 1 632 . 1 1 55 55 GLY H H 1 8.002 0.030 . 1 . . . . 55 GLY H . 11186 1 633 . 1 1 55 55 GLY HA2 H 1 3.873 0.030 . 2 . . . . 55 GLY HA2 . 11186 1 634 . 1 1 55 55 GLY HA3 H 1 4.236 0.030 . 2 . . . . 55 GLY HA3 . 11186 1 635 . 1 1 55 55 GLY C C 13 174.166 0.300 . 1 . . . . 55 GLY C . 11186 1 636 . 1 1 55 55 GLY CA C 13 44.634 0.300 . 1 . . . . 55 GLY CA . 11186 1 637 . 1 1 55 55 GLY N N 15 105.831 0.300 . 1 . . . . 55 GLY N . 11186 1 638 . 1 1 56 56 VAL H H 1 8.683 0.030 . 1 . . . . 56 VAL H . 11186 1 639 . 1 1 56 56 VAL HA H 1 3.697 0.030 . 1 . . . . 56 VAL HA . 11186 1 640 . 1 1 56 56 VAL HB H 1 2.148 0.030 . 1 . . . . 56 VAL HB . 11186 1 641 . 1 1 56 56 VAL HG11 H 1 1.102 0.030 . 1 . . . . 56 VAL HG1 . 11186 1 642 . 1 1 56 56 VAL HG12 H 1 1.102 0.030 . 1 . . . . 56 VAL HG1 . 11186 1 643 . 1 1 56 56 VAL HG13 H 1 1.102 0.030 . 1 . . . . 56 VAL HG1 . 11186 1 644 . 1 1 56 56 VAL HG21 H 1 1.210 0.030 . 1 . . . . 56 VAL HG2 . 11186 1 645 . 1 1 56 56 VAL HG22 H 1 1.210 0.030 . 1 . . . . 56 VAL HG2 . 11186 1 646 . 1 1 56 56 VAL HG23 H 1 1.210 0.030 . 1 . . . . 56 VAL HG2 . 11186 1 647 . 1 1 56 56 VAL C C 13 178.939 0.300 . 1 . . . . 56 VAL C . 11186 1 648 . 1 1 56 56 VAL CA C 13 66.198 0.300 . 1 . . . . 56 VAL CA . 11186 1 649 . 1 1 56 56 VAL CB C 13 31.937 0.300 . 1 . . . . 56 VAL CB . 11186 1 650 . 1 1 56 56 VAL CG1 C 13 21.796 0.300 . 2 . . . . 56 VAL CG1 . 11186 1 651 . 1 1 56 56 VAL CG2 C 13 22.314 0.300 . 2 . . . . 56 VAL CG2 . 11186 1 652 . 1 1 56 56 VAL N N 15 116.215 0.300 . 1 . . . . 56 VAL N . 11186 1 653 . 1 1 57 57 ALA H H 1 7.660 0.030 . 1 . . . . 57 ALA H . 11186 1 654 . 1 1 57 57 ALA HA H 1 4.129 0.030 . 1 . . . . 57 ALA HA . 11186 1 655 . 1 1 57 57 ALA HB1 H 1 1.577 0.030 . 1 . . . . 57 ALA HB . 11186 1 656 . 1 1 57 57 ALA HB2 H 1 1.577 0.030 . 1 . . . . 57 ALA HB . 11186 1 657 . 1 1 57 57 ALA HB3 H 1 1.577 0.030 . 1 . . . . 57 ALA HB . 11186 1 658 . 1 1 57 57 ALA C C 13 180.779 0.300 . 1 . . . . 57 ALA C . 11186 1 659 . 1 1 57 57 ALA CA C 13 55.383 0.300 . 1 . . . . 57 ALA CA . 11186 1 660 . 1 1 57 57 ALA CB C 13 19.103 0.300 . 1 . . . . 57 ALA CB . 11186 1 661 . 1 1 57 57 ALA N N 15 122.099 0.300 . 1 . . . . 57 ALA N . 11186 1 662 . 1 1 58 58 GLU H H 1 9.724 0.030 . 1 . . . . 58 GLU H . 11186 1 663 . 1 1 58 58 GLU HA H 1 3.936 0.030 . 1 . . . . 58 GLU HA . 11186 1 664 . 1 1 58 58 GLU HB2 H 1 2.142 0.030 . 2 . . . . 58 GLU HB2 . 11186 1 665 . 1 1 58 58 GLU HB3 H 1 2.211 0.030 . 2 . . . . 58 GLU HB3 . 11186 1 666 . 1 1 58 58 GLU HG2 H 1 2.186 0.030 . 1 . . . . 58 GLU HG2 . 11186 1 667 . 1 1 58 58 GLU HG3 H 1 2.186 0.030 . 1 . . . . 58 GLU HG3 . 11186 1 668 . 1 1 58 58 GLU C C 13 178.678 0.300 . 1 . . . . 58 GLU C . 11186 1 669 . 1 1 58 58 GLU CA C 13 60.209 0.300 . 1 . . . . 58 GLU CA . 11186 1 670 . 1 1 58 58 GLU CB C 13 30.225 0.300 . 1 . . . . 58 GLU CB . 11186 1 671 . 1 1 58 58 GLU CG C 13 37.537 0.300 . 1 . . . . 58 GLU CG . 11186 1 672 . 1 1 58 58 GLU N N 15 124.482 0.300 . 1 . . . . 58 GLU N . 11186 1 673 . 1 1 59 59 ARG H H 1 8.508 0.030 . 1 . . . . 59 ARG H . 11186 1 674 . 1 1 59 59 ARG HA H 1 4.066 0.030 . 1 . . . . 59 ARG HA . 11186 1 675 . 1 1 59 59 ARG HB2 H 1 1.836 0.030 . 1 . . . . 59 ARG HB2 . 11186 1 676 . 1 1 59 59 ARG HB3 H 1 1.836 0.030 . 1 . . . . 59 ARG HB3 . 11186 1 677 . 1 1 59 59 ARG HD2 H 1 3.075 0.030 . 2 . . . . 59 ARG HD2 . 11186 1 678 . 1 1 59 59 ARG HD3 H 1 3.157 0.030 . 2 . . . . 59 ARG HD3 . 11186 1 679 . 1 1 59 59 ARG HE H 1 7.034 0.030 . 1 . . . . 59 ARG HE . 11186 1 680 . 1 1 59 59 ARG HG2 H 1 1.664 0.030 . 2 . . . . 59 ARG HG2 . 11186 1 681 . 1 1 59 59 ARG HG3 H 1 1.779 0.030 . 2 . . . . 59 ARG HG3 . 11186 1 682 . 1 1 59 59 ARG C C 13 178.464 0.300 . 1 . . . . 59 ARG C . 11186 1 683 . 1 1 59 59 ARG CA C 13 58.828 0.300 . 1 . . . . 59 ARG CA . 11186 1 684 . 1 1 59 59 ARG CB C 13 30.470 0.300 . 1 . . . . 59 ARG CB . 11186 1 685 . 1 1 59 59 ARG CD C 13 43.508 0.300 . 1 . . . . 59 ARG CD . 11186 1 686 . 1 1 59 59 ARG CG C 13 28.332 0.300 . 1 . . . . 59 ARG CG . 11186 1 687 . 1 1 59 59 ARG N N 15 117.024 0.300 . 1 . . . . 59 ARG N . 11186 1 688 . 1 1 59 59 ARG NE N 15 84.831 0.300 . 1 . . . . 59 ARG NE . 11186 1 689 . 1 1 60 60 SER H H 1 7.745 0.030 . 1 . . . . 60 SER H . 11186 1 690 . 1 1 60 60 SER HA H 1 4.283 0.030 . 1 . . . . 60 SER HA . 11186 1 691 . 1 1 60 60 SER HB2 H 1 3.966 0.030 . 2 . . . . 60 SER HB2 . 11186 1 692 . 1 1 60 60 SER HB3 H 1 4.025 0.030 . 2 . . . . 60 SER HB3 . 11186 1 693 . 1 1 60 60 SER C C 13 176.172 0.300 . 1 . . . . 60 SER C . 11186 1 694 . 1 1 60 60 SER CA C 13 60.851 0.300 . 1 . . . . 60 SER CA . 11186 1 695 . 1 1 60 60 SER CB C 13 64.324 0.300 . 1 . . . . 60 SER CB . 11186 1 696 . 1 1 60 60 SER N N 15 112.834 0.300 . 1 . . . . 60 SER N . 11186 1 697 . 1 1 61 61 GLY H H 1 7.345 0.030 . 1 . . . . 61 GLY H . 11186 1 698 . 1 1 61 61 GLY HA2 H 1 3.985 0.030 . 2 . . . . 61 GLY HA2 . 11186 1 699 . 1 1 61 61 GLY HA3 H 1 4.160 0.030 . 2 . . . . 61 GLY HA3 . 11186 1 700 . 1 1 61 61 GLY C C 13 174.760 0.300 . 1 . . . . 61 GLY C . 11186 1 701 . 1 1 61 61 GLY CA C 13 45.979 0.300 . 1 . . . . 61 GLY CA . 11186 1 702 . 1 1 61 61 GLY N N 15 108.460 0.300 . 1 . . . . 61 GLY N . 11186 1 703 . 1 1 62 62 GLY H H 1 8.286 0.030 . 1 . . . . 62 GLY H . 11186 1 704 . 1 1 62 62 GLY HA2 H 1 3.632 0.030 . 2 . . . . 62 GLY HA2 . 11186 1 705 . 1 1 62 62 GLY HA3 H 1 4.043 0.030 . 2 . . . . 62 GLY HA3 . 11186 1 706 . 1 1 62 62 GLY C C 13 172.429 0.300 . 1 . . . . 62 GLY C . 11186 1 707 . 1 1 62 62 GLY CA C 13 45.469 0.300 . 1 . . . . 62 GLY CA . 11186 1 708 . 1 1 62 62 GLY N N 15 105.197 0.300 . 1 . . . . 62 GLY N . 11186 1 709 . 1 1 63 63 LEU H H 1 7.470 0.030 . 1 . . . . 63 LEU H . 11186 1 710 . 1 1 63 63 LEU HA H 1 4.690 0.030 . 1 . . . . 63 LEU HA . 11186 1 711 . 1 1 63 63 LEU HB2 H 1 1.228 0.030 . 2 . . . . 63 LEU HB2 . 11186 1 712 . 1 1 63 63 LEU HB3 H 1 1.336 0.030 . 2 . . . . 63 LEU HB3 . 11186 1 713 . 1 1 63 63 LEU HD11 H 1 0.444 0.030 . 1 . . . . 63 LEU HD1 . 11186 1 714 . 1 1 63 63 LEU HD12 H 1 0.444 0.030 . 1 . . . . 63 LEU HD1 . 11186 1 715 . 1 1 63 63 LEU HD13 H 1 0.444 0.030 . 1 . . . . 63 LEU HD1 . 11186 1 716 . 1 1 63 63 LEU HD21 H 1 0.292 0.030 . 1 . . . . 63 LEU HD2 . 11186 1 717 . 1 1 63 63 LEU HD22 H 1 0.292 0.030 . 1 . . . . 63 LEU HD2 . 11186 1 718 . 1 1 63 63 LEU HD23 H 1 0.292 0.030 . 1 . . . . 63 LEU HD2 . 11186 1 719 . 1 1 63 63 LEU HG H 1 1.407 0.030 . 1 . . . . 63 LEU HG . 11186 1 720 . 1 1 63 63 LEU C C 13 173.745 0.300 . 1 . . . . 63 LEU C . 11186 1 721 . 1 1 63 63 LEU CA C 13 54.179 0.300 . 1 . . . . 63 LEU CA . 11186 1 722 . 1 1 63 63 LEU CB C 13 44.835 0.300 . 1 . . . . 63 LEU CB . 11186 1 723 . 1 1 63 63 LEU CD1 C 13 26.523 0.300 . 2 . . . . 63 LEU CD1 . 11186 1 724 . 1 1 63 63 LEU CD2 C 13 26.445 0.300 . 2 . . . . 63 LEU CD2 . 11186 1 725 . 1 1 63 63 LEU CG C 13 26.558 0.300 . 1 . . . . 63 LEU CG . 11186 1 726 . 1 1 63 63 LEU N N 15 116.975 0.300 . 1 . . . . 63 LEU N . 11186 1 727 . 1 1 64 64 LEU H H 1 9.032 0.030 . 1 . . . . 64 LEU H . 11186 1 728 . 1 1 64 64 LEU HA H 1 4.871 0.030 . 1 . . . . 64 LEU HA . 11186 1 729 . 1 1 64 64 LEU HB2 H 1 1.309 0.030 . 2 . . . . 64 LEU HB2 . 11186 1 730 . 1 1 64 64 LEU HB3 H 1 1.533 0.030 . 2 . . . . 64 LEU HB3 . 11186 1 731 . 1 1 64 64 LEU HD11 H 1 0.868 0.030 . 1 . . . . 64 LEU HD1 . 11186 1 732 . 1 1 64 64 LEU HD12 H 1 0.868 0.030 . 1 . . . . 64 LEU HD1 . 11186 1 733 . 1 1 64 64 LEU HD13 H 1 0.868 0.030 . 1 . . . . 64 LEU HD1 . 11186 1 734 . 1 1 64 64 LEU HD21 H 1 0.884 0.030 . 1 . . . . 64 LEU HD2 . 11186 1 735 . 1 1 64 64 LEU HD22 H 1 0.884 0.030 . 1 . . . . 64 LEU HD2 . 11186 1 736 . 1 1 64 64 LEU HD23 H 1 0.884 0.030 . 1 . . . . 64 LEU HD2 . 11186 1 737 . 1 1 64 64 LEU HG H 1 1.438 0.030 . 1 . . . . 64 LEU HG . 11186 1 738 . 1 1 64 64 LEU C C 13 173.979 0.300 . 1 . . . . 64 LEU C . 11186 1 739 . 1 1 64 64 LEU CA C 13 51.476 0.300 . 1 . . . . 64 LEU CA . 11186 1 740 . 1 1 64 64 LEU CB C 13 43.650 0.300 . 1 . . . . 64 LEU CB . 11186 1 741 . 1 1 64 64 LEU CD1 C 13 25.313 0.300 . 2 . . . . 64 LEU CD1 . 11186 1 742 . 1 1 64 64 LEU CD2 C 13 23.081 0.300 . 2 . . . . 64 LEU CD2 . 11186 1 743 . 1 1 64 64 LEU CG C 13 26.960 0.300 . 1 . . . . 64 LEU CG . 11186 1 744 . 1 1 64 64 LEU N N 15 124.978 0.300 . 1 . . . . 64 LEU N . 11186 1 745 . 1 1 65 65 PRO HA H 1 3.826 0.030 . 1 . . . . 65 PRO HA . 11186 1 746 . 1 1 65 65 PRO HB2 H 1 1.827 0.030 . 2 . . . . 65 PRO HB2 . 11186 1 747 . 1 1 65 65 PRO HB3 H 1 2.205 0.030 . 2 . . . . 65 PRO HB3 . 11186 1 748 . 1 1 65 65 PRO HD2 H 1 3.576 0.030 . 1 . . . . 65 PRO HD2 . 11186 1 749 . 1 1 65 65 PRO HD3 H 1 3.576 0.030 . 1 . . . . 65 PRO HD3 . 11186 1 750 . 1 1 65 65 PRO HG2 H 1 1.562 0.030 . 2 . . . . 65 PRO HG2 . 11186 1 751 . 1 1 65 65 PRO HG3 H 1 2.280 0.030 . 2 . . . . 65 PRO HG3 . 11186 1 752 . 1 1 65 65 PRO C C 13 177.365 0.300 . 1 . . . . 65 PRO C . 11186 1 753 . 1 1 65 65 PRO CA C 13 63.442 0.300 . 1 . . . . 65 PRO CA . 11186 1 754 . 1 1 65 65 PRO CB C 13 31.035 0.300 . 1 . . . . 65 PRO CB . 11186 1 755 . 1 1 65 65 PRO CD C 13 50.661 0.300 . 1 . . . . 65 PRO CD . 11186 1 756 . 1 1 65 65 PRO CG C 13 29.000 0.300 . 1 . . . . 65 PRO CG . 11186 1 757 . 1 1 66 66 GLY H H 1 9.268 0.030 . 1 . . . . 66 GLY H . 11186 1 758 . 1 1 66 66 GLY HA2 H 1 3.476 0.030 . 2 . . . . 66 GLY HA2 . 11186 1 759 . 1 1 66 66 GLY HA3 H 1 4.518 0.030 . 2 . . . . 66 GLY HA3 . 11186 1 760 . 1 1 66 66 GLY C C 13 174.522 0.300 . 1 . . . . 66 GLY C . 11186 1 761 . 1 1 66 66 GLY CA C 13 44.865 0.300 . 1 . . . . 66 GLY CA . 11186 1 762 . 1 1 66 66 GLY N N 15 114.215 0.300 . 1 . . . . 66 GLY N . 11186 1 763 . 1 1 67 67 ASP H H 1 8.104 0.030 . 1 . . . . 67 ASP H . 11186 1 764 . 1 1 67 67 ASP HA H 1 4.756 0.030 . 1 . . . . 67 ASP HA . 11186 1 765 . 1 1 67 67 ASP HB2 H 1 2.516 0.030 . 2 . . . . 67 ASP HB2 . 11186 1 766 . 1 1 67 67 ASP HB3 H 1 2.702 0.030 . 2 . . . . 67 ASP HB3 . 11186 1 767 . 1 1 67 67 ASP C C 13 174.514 0.300 . 1 . . . . 67 ASP C . 11186 1 768 . 1 1 67 67 ASP CA C 13 55.292 0.300 . 1 . . . . 67 ASP CA . 11186 1 769 . 1 1 67 67 ASP CB C 13 41.130 0.300 . 1 . . . . 67 ASP CB . 11186 1 770 . 1 1 67 67 ASP N N 15 122.417 0.300 . 1 . . . . 67 ASP N . 11186 1 771 . 1 1 68 68 ARG H H 1 8.590 0.030 . 1 . . . . 68 ARG H . 11186 1 772 . 1 1 68 68 ARG HA H 1 4.527 0.030 . 1 . . . . 68 ARG HA . 11186 1 773 . 1 1 68 68 ARG HB2 H 1 0.177 0.030 . 2 . . . . 68 ARG HB2 . 11186 1 774 . 1 1 68 68 ARG HB3 H 1 1.184 0.030 . 2 . . . . 68 ARG HB3 . 11186 1 775 . 1 1 68 68 ARG HD2 H 1 2.244 0.030 . 1 . . . . 68 ARG HD2 . 11186 1 776 . 1 1 68 68 ARG HD3 H 1 2.244 0.030 . 1 . . . . 68 ARG HD3 . 11186 1 777 . 1 1 68 68 ARG HE H 1 7.043 0.030 . 1 . . . . 68 ARG HE . 11186 1 778 . 1 1 68 68 ARG HG2 H 1 0.934 0.030 . 2 . . . . 68 ARG HG2 . 11186 1 779 . 1 1 68 68 ARG HG3 H 1 1.185 0.030 . 2 . . . . 68 ARG HG3 . 11186 1 780 . 1 1 68 68 ARG C C 13 174.483 0.300 . 1 . . . . 68 ARG C . 11186 1 781 . 1 1 68 68 ARG CA C 13 54.961 0.300 . 1 . . . . 68 ARG CA . 11186 1 782 . 1 1 68 68 ARG CB C 13 31.606 0.300 . 1 . . . . 68 ARG CB . 11186 1 783 . 1 1 68 68 ARG CD C 13 43.870 0.300 . 1 . . . . 68 ARG CD . 11186 1 784 . 1 1 68 68 ARG CG C 13 27.141 0.300 . 1 . . . . 68 ARG CG . 11186 1 785 . 1 1 68 68 ARG N N 15 121.232 0.300 . 1 . . . . 68 ARG N . 11186 1 786 . 1 1 68 68 ARG NE N 15 83.611 0.300 . 1 . . . . 68 ARG NE . 11186 1 787 . 1 1 69 69 LEU H H 1 8.642 0.030 . 1 . . . . 69 LEU H . 11186 1 788 . 1 1 69 69 LEU HA H 1 4.775 0.030 . 1 . . . . 69 LEU HA . 11186 1 789 . 1 1 69 69 LEU HB2 H 1 0.830 0.030 . 2 . . . . 69 LEU HB2 . 11186 1 790 . 1 1 69 69 LEU HB3 H 1 1.726 0.030 . 2 . . . . 69 LEU HB3 . 11186 1 791 . 1 1 69 69 LEU HD11 H 1 0.943 0.030 . 1 . . . . 69 LEU HD1 . 11186 1 792 . 1 1 69 69 LEU HD12 H 1 0.943 0.030 . 1 . . . . 69 LEU HD1 . 11186 1 793 . 1 1 69 69 LEU HD13 H 1 0.943 0.030 . 1 . . . . 69 LEU HD1 . 11186 1 794 . 1 1 69 69 LEU HD21 H 1 0.749 0.030 . 1 . . . . 69 LEU HD2 . 11186 1 795 . 1 1 69 69 LEU HD22 H 1 0.749 0.030 . 1 . . . . 69 LEU HD2 . 11186 1 796 . 1 1 69 69 LEU HD23 H 1 0.749 0.030 . 1 . . . . 69 LEU HD2 . 11186 1 797 . 1 1 69 69 LEU HG H 1 1.316 0.030 . 1 . . . . 69 LEU HG . 11186 1 798 . 1 1 69 69 LEU C C 13 174.586 0.300 . 1 . . . . 69 LEU C . 11186 1 799 . 1 1 69 69 LEU CA C 13 53.247 0.300 . 1 . . . . 69 LEU CA . 11186 1 800 . 1 1 69 69 LEU CB C 13 42.959 0.300 . 1 . . . . 69 LEU CB . 11186 1 801 . 1 1 69 69 LEU CD1 C 13 24.633 0.300 . 2 . . . . 69 LEU CD1 . 11186 1 802 . 1 1 69 69 LEU CD2 C 13 26.770 0.300 . 2 . . . . 69 LEU CD2 . 11186 1 803 . 1 1 69 69 LEU CG C 13 27.271 0.300 . 1 . . . . 69 LEU CG . 11186 1 804 . 1 1 69 69 LEU N N 15 129.363 0.300 . 1 . . . . 69 LEU N . 11186 1 805 . 1 1 70 70 VAL H H 1 9.028 0.030 . 1 . . . . 70 VAL H . 11186 1 806 . 1 1 70 70 VAL HA H 1 4.095 0.030 . 1 . . . . 70 VAL HA . 11186 1 807 . 1 1 70 70 VAL HB H 1 1.935 0.030 . 1 . . . . 70 VAL HB . 11186 1 808 . 1 1 70 70 VAL HG11 H 1 0.848 0.030 . 1 . . . . 70 VAL HG1 . 11186 1 809 . 1 1 70 70 VAL HG12 H 1 0.848 0.030 . 1 . . . . 70 VAL HG1 . 11186 1 810 . 1 1 70 70 VAL HG13 H 1 0.848 0.030 . 1 . . . . 70 VAL HG1 . 11186 1 811 . 1 1 70 70 VAL HG21 H 1 0.796 0.030 . 1 . . . . 70 VAL HG2 . 11186 1 812 . 1 1 70 70 VAL HG22 H 1 0.796 0.030 . 1 . . . . 70 VAL HG2 . 11186 1 813 . 1 1 70 70 VAL HG23 H 1 0.796 0.030 . 1 . . . . 70 VAL HG2 . 11186 1 814 . 1 1 70 70 VAL C C 13 176.735 0.300 . 1 . . . . 70 VAL C . 11186 1 815 . 1 1 70 70 VAL CA C 13 63.166 0.300 . 1 . . . . 70 VAL CA . 11186 1 816 . 1 1 70 70 VAL CB C 13 33.184 0.300 . 1 . . . . 70 VAL CB . 11186 1 817 . 1 1 70 70 VAL CG1 C 13 21.625 0.300 . 2 . . . . 70 VAL CG1 . 11186 1 818 . 1 1 70 70 VAL CG2 C 13 21.406 0.300 . 2 . . . . 70 VAL CG2 . 11186 1 819 . 1 1 70 70 VAL N N 15 123.451 0.300 . 1 . . . . 70 VAL N . 11186 1 820 . 1 1 71 71 SER H H 1 7.833 0.030 . 1 . . . . 71 SER H . 11186 1 821 . 1 1 71 71 SER HA H 1 5.284 0.030 . 1 . . . . 71 SER HA . 11186 1 822 . 1 1 71 71 SER HB2 H 1 3.680 0.030 . 2 . . . . 71 SER HB2 . 11186 1 823 . 1 1 71 71 SER HB3 H 1 3.783 0.030 . 2 . . . . 71 SER HB3 . 11186 1 824 . 1 1 71 71 SER C C 13 173.111 0.300 . 1 . . . . 71 SER C . 11186 1 825 . 1 1 71 71 SER CA C 13 57.499 0.300 . 1 . . . . 71 SER CA . 11186 1 826 . 1 1 71 71 SER CB C 13 65.560 0.300 . 1 . . . . 71 SER CB . 11186 1 827 . 1 1 71 71 SER N N 15 111.977 0.300 . 1 . . . . 71 SER N . 11186 1 828 . 1 1 72 72 VAL H H 1 8.663 0.030 . 1 . . . . 72 VAL H . 11186 1 829 . 1 1 72 72 VAL HA H 1 4.479 0.030 . 1 . . . . 72 VAL HA . 11186 1 830 . 1 1 72 72 VAL HB H 1 1.933 0.030 . 1 . . . . 72 VAL HB . 11186 1 831 . 1 1 72 72 VAL HG11 H 1 0.844 0.030 . 1 . . . . 72 VAL HG1 . 11186 1 832 . 1 1 72 72 VAL HG12 H 1 0.844 0.030 . 1 . . . . 72 VAL HG1 . 11186 1 833 . 1 1 72 72 VAL HG13 H 1 0.844 0.030 . 1 . . . . 72 VAL HG1 . 11186 1 834 . 1 1 72 72 VAL HG21 H 1 0.896 0.030 . 1 . . . . 72 VAL HG2 . 11186 1 835 . 1 1 72 72 VAL HG22 H 1 0.896 0.030 . 1 . . . . 72 VAL HG2 . 11186 1 836 . 1 1 72 72 VAL HG23 H 1 0.896 0.030 . 1 . . . . 72 VAL HG2 . 11186 1 837 . 1 1 72 72 VAL C C 13 174.332 0.300 . 1 . . . . 72 VAL C . 11186 1 838 . 1 1 72 72 VAL CA C 13 60.761 0.300 . 1 . . . . 72 VAL CA . 11186 1 839 . 1 1 72 72 VAL CB C 13 34.282 0.300 . 1 . . . . 72 VAL CB . 11186 1 840 . 1 1 72 72 VAL CG1 C 13 20.874 0.300 . 2 . . . . 72 VAL CG1 . 11186 1 841 . 1 1 72 72 VAL CG2 C 13 21.487 0.300 . 2 . . . . 72 VAL CG2 . 11186 1 842 . 1 1 72 72 VAL N N 15 119.603 0.300 . 1 . . . . 72 VAL N . 11186 1 843 . 1 1 73 73 ASN H H 1 9.665 0.030 . 1 . . . . 73 ASN H . 11186 1 844 . 1 1 73 73 ASN HA H 1 4.445 0.030 . 1 . . . . 73 ASN HA . 11186 1 845 . 1 1 73 73 ASN HB2 H 1 3.208 0.030 . 1 . . . . 73 ASN HB2 . 11186 1 846 . 1 1 73 73 ASN HB3 H 1 3.208 0.030 . 1 . . . . 73 ASN HB3 . 11186 1 847 . 1 1 73 73 ASN HD21 H 1 6.834 0.030 . 2 . . . . 73 ASN HD21 . 11186 1 848 . 1 1 73 73 ASN HD22 H 1 8.188 0.030 . 2 . . . . 73 ASN HD22 . 11186 1 849 . 1 1 73 73 ASN C C 13 175.470 0.300 . 1 . . . . 73 ASN C . 11186 1 850 . 1 1 73 73 ASN CA C 13 55.164 0.300 . 1 . . . . 73 ASN CA . 11186 1 851 . 1 1 73 73 ASN CB C 13 36.483 0.300 . 1 . . . . 73 ASN CB . 11186 1 852 . 1 1 73 73 ASN N N 15 126.656 0.300 . 1 . . . . 73 ASN N . 11186 1 853 . 1 1 73 73 ASN ND2 N 15 110.413 0.300 . 1 . . . . 73 ASN ND2 . 11186 1 854 . 1 1 74 74 GLU H H 1 9.685 0.030 . 1 . . . . 74 GLU H . 11186 1 855 . 1 1 74 74 GLU HA H 1 4.180 0.030 . 1 . . . . 74 GLU HA . 11186 1 856 . 1 1 74 74 GLU HB2 H 1 1.975 0.030 . 1 . . . . 74 GLU HB2 . 11186 1 857 . 1 1 74 74 GLU HB3 H 1 1.975 0.030 . 1 . . . . 74 GLU HB3 . 11186 1 858 . 1 1 74 74 GLU HG2 H 1 1.594 0.030 . 2 . . . . 74 GLU HG2 . 11186 1 859 . 1 1 74 74 GLU HG3 H 1 2.042 0.030 . 2 . . . . 74 GLU HG3 . 11186 1 860 . 1 1 74 74 GLU C C 13 175.542 0.300 . 1 . . . . 74 GLU C . 11186 1 861 . 1 1 74 74 GLU CA C 13 57.798 0.300 . 1 . . . . 74 GLU CA . 11186 1 862 . 1 1 74 74 GLU CB C 13 28.293 0.300 . 1 . . . . 74 GLU CB . 11186 1 863 . 1 1 74 74 GLU CG C 13 35.600 0.300 . 1 . . . . 74 GLU CG . 11186 1 864 . 1 1 75 75 TYR H H 1 8.641 0.030 . 1 . . . . 75 TYR H . 11186 1 865 . 1 1 75 75 TYR HA H 1 4.424 0.030 . 1 . . . . 75 TYR HA . 11186 1 866 . 1 1 75 75 TYR HB2 H 1 2.897 0.030 . 2 . . . . 75 TYR HB2 . 11186 1 867 . 1 1 75 75 TYR HB3 H 1 3.110 0.030 . 2 . . . . 75 TYR HB3 . 11186 1 868 . 1 1 75 75 TYR HD1 H 1 7.167 0.030 . 1 . . . . 75 TYR HD1 . 11186 1 869 . 1 1 75 75 TYR HD2 H 1 7.167 0.030 . 1 . . . . 75 TYR HD2 . 11186 1 870 . 1 1 75 75 TYR HE1 H 1 6.811 0.030 . 1 . . . . 75 TYR HE1 . 11186 1 871 . 1 1 75 75 TYR HE2 H 1 6.811 0.030 . 1 . . . . 75 TYR HE2 . 11186 1 872 . 1 1 75 75 TYR C C 13 174.895 0.300 . 1 . . . . 75 TYR C . 11186 1 873 . 1 1 75 75 TYR CA C 13 58.241 0.300 . 1 . . . . 75 TYR CA . 11186 1 874 . 1 1 75 75 TYR CB C 13 38.373 0.300 . 1 . . . . 75 TYR CB . 11186 1 875 . 1 1 75 75 TYR CD1 C 13 133.042 0.300 . 1 . . . . 75 TYR CD1 . 11186 1 876 . 1 1 75 75 TYR CD2 C 13 133.042 0.300 . 1 . . . . 75 TYR CD2 . 11186 1 877 . 1 1 75 75 TYR CE1 C 13 118.098 0.300 . 1 . . . . 75 TYR CE1 . 11186 1 878 . 1 1 75 75 TYR CE2 C 13 118.098 0.300 . 1 . . . . 75 TYR CE2 . 11186 1 879 . 1 1 75 75 TYR N N 15 123.048 0.300 . 1 . . . . 75 TYR N . 11186 1 880 . 1 1 76 76 CYS H H 1 8.777 0.030 . 1 . . . . 76 CYS H . 11186 1 881 . 1 1 76 76 CYS HA H 1 4.470 0.030 . 1 . . . . 76 CYS HA . 11186 1 882 . 1 1 76 76 CYS HB2 H 1 2.819 0.030 . 2 . . . . 76 CYS HB2 . 11186 1 883 . 1 1 76 76 CYS HB3 H 1 3.076 0.030 . 2 . . . . 76 CYS HB3 . 11186 1 884 . 1 1 76 76 CYS C C 13 175.649 0.300 . 1 . . . . 76 CYS C . 11186 1 885 . 1 1 76 76 CYS CA C 13 58.775 0.300 . 1 . . . . 76 CYS CA . 11186 1 886 . 1 1 76 76 CYS CB C 13 27.855 0.300 . 1 . . . . 76 CYS CB . 11186 1 887 . 1 1 76 76 CYS N N 15 125.431 0.300 . 1 . . . . 76 CYS N . 11186 1 888 . 1 1 77 77 LEU H H 1 8.502 0.030 . 1 . . . . 77 LEU H . 11186 1 889 . 1 1 77 77 LEU HA H 1 4.611 0.030 . 1 . . . . 77 LEU HA . 11186 1 890 . 1 1 77 77 LEU HB2 H 1 1.513 0.030 . 2 . . . . 77 LEU HB2 . 11186 1 891 . 1 1 77 77 LEU HB3 H 1 1.738 0.030 . 2 . . . . 77 LEU HB3 . 11186 1 892 . 1 1 77 77 LEU HD11 H 1 0.727 0.030 . 1 . . . . 77 LEU HD1 . 11186 1 893 . 1 1 77 77 LEU HD12 H 1 0.727 0.030 . 1 . . . . 77 LEU HD1 . 11186 1 894 . 1 1 77 77 LEU HD13 H 1 0.727 0.030 . 1 . . . . 77 LEU HD1 . 11186 1 895 . 1 1 77 77 LEU HD21 H 1 0.731 0.030 . 1 . . . . 77 LEU HD2 . 11186 1 896 . 1 1 77 77 LEU HD22 H 1 0.731 0.030 . 1 . . . . 77 LEU HD2 . 11186 1 897 . 1 1 77 77 LEU HD23 H 1 0.731 0.030 . 1 . . . . 77 LEU HD2 . 11186 1 898 . 1 1 77 77 LEU HG H 1 1.480 0.030 . 1 . . . . 77 LEU HG . 11186 1 899 . 1 1 77 77 LEU C C 13 176.913 0.300 . 1 . . . . 77 LEU C . 11186 1 900 . 1 1 77 77 LEU CA C 13 54.436 0.300 . 1 . . . . 77 LEU CA . 11186 1 901 . 1 1 77 77 LEU CB C 13 40.610 0.300 . 1 . . . . 77 LEU CB . 11186 1 902 . 1 1 77 77 LEU CD1 C 13 25.924 0.300 . 2 . . . . 77 LEU CD1 . 11186 1 903 . 1 1 77 77 LEU CD2 C 13 23.459 0.300 . 2 . . . . 77 LEU CD2 . 11186 1 904 . 1 1 77 77 LEU CG C 13 27.679 0.300 . 1 . . . . 77 LEU CG . 11186 1 905 . 1 1 77 77 LEU N N 15 127.334 0.300 . 1 . . . . 77 LEU N . 11186 1 906 . 1 1 78 78 ASP H H 1 7.996 0.030 . 1 . . . . 78 ASP H . 11186 1 907 . 1 1 78 78 ASP HA H 1 4.432 0.030 . 1 . . . . 78 ASP HA . 11186 1 908 . 1 1 78 78 ASP HB2 H 1 2.583 0.030 . 2 . . . . 78 ASP HB2 . 11186 1 909 . 1 1 78 78 ASP HB3 H 1 2.624 0.030 . 2 . . . . 78 ASP HB3 . 11186 1 910 . 1 1 78 78 ASP C C 13 176.997 0.300 . 1 . . . . 78 ASP C . 11186 1 911 . 1 1 78 78 ASP CA C 13 56.407 0.300 . 1 . . . . 78 ASP CA . 11186 1 912 . 1 1 78 78 ASP CB C 13 40.712 0.300 . 1 . . . . 78 ASP CB . 11186 1 913 . 1 1 78 78 ASP N N 15 122.423 0.300 . 1 . . . . 78 ASP N . 11186 1 914 . 1 1 79 79 ASN H H 1 8.910 0.030 . 1 . . . . 79 ASN H . 11186 1 915 . 1 1 79 79 ASN HA H 1 4.773 0.030 . 1 . . . . 79 ASN HA . 11186 1 916 . 1 1 79 79 ASN HB2 H 1 2.702 0.030 . 2 . . . . 79 ASN HB2 . 11186 1 917 . 1 1 79 79 ASN HB3 H 1 3.067 0.030 . 2 . . . . 79 ASN HB3 . 11186 1 918 . 1 1 79 79 ASN HD21 H 1 6.914 0.030 . 2 . . . . 79 ASN HD21 . 11186 1 919 . 1 1 79 79 ASN HD22 H 1 7.637 0.030 . 2 . . . . 79 ASN HD22 . 11186 1 920 . 1 1 79 79 ASN C C 13 174.490 0.300 . 1 . . . . 79 ASN C . 11186 1 921 . 1 1 79 79 ASN CA C 13 53.707 0.300 . 1 . . . . 79 ASN CA . 11186 1 922 . 1 1 79 79 ASN CB C 13 38.109 0.300 . 1 . . . . 79 ASN CB . 11186 1 923 . 1 1 79 79 ASN N N 15 118.529 0.300 . 1 . . . . 79 ASN N . 11186 1 924 . 1 1 79 79 ASN ND2 N 15 112.915 0.300 . 1 . . . . 79 ASN ND2 . 11186 1 925 . 1 1 80 80 THR H H 1 7.615 0.030 . 1 . . . . 80 THR H . 11186 1 926 . 1 1 80 80 THR HA H 1 4.446 0.030 . 1 . . . . 80 THR HA . 11186 1 927 . 1 1 80 80 THR HB H 1 3.944 0.030 . 1 . . . . 80 THR HB . 11186 1 928 . 1 1 80 80 THR HG21 H 1 1.224 0.030 . 1 . . . . 80 THR HG2 . 11186 1 929 . 1 1 80 80 THR HG22 H 1 1.224 0.030 . 1 . . . . 80 THR HG2 . 11186 1 930 . 1 1 80 80 THR HG23 H 1 1.224 0.030 . 1 . . . . 80 THR HG2 . 11186 1 931 . 1 1 80 80 THR C C 13 173.991 0.300 . 1 . . . . 80 THR C . 11186 1 932 . 1 1 80 80 THR CA C 13 61.677 0.300 . 1 . . . . 80 THR CA . 11186 1 933 . 1 1 80 80 THR CB C 13 70.637 0.300 . 1 . . . . 80 THR CB . 11186 1 934 . 1 1 80 80 THR CG2 C 13 21.536 0.300 . 1 . . . . 80 THR CG2 . 11186 1 935 . 1 1 80 80 THR N N 15 113.829 0.300 . 1 . . . . 80 THR N . 11186 1 936 . 1 1 81 81 SER H H 1 8.750 0.030 . 1 . . . . 81 SER H . 11186 1 937 . 1 1 81 81 SER HA H 1 4.444 0.030 . 1 . . . . 81 SER HA . 11186 1 938 . 1 1 81 81 SER HB2 H 1 4.025 0.030 . 2 . . . . 81 SER HB2 . 11186 1 939 . 1 1 81 81 SER HB3 H 1 4.242 0.030 . 2 . . . . 81 SER HB3 . 11186 1 940 . 1 1 81 81 SER C C 13 174.586 0.300 . 1 . . . . 81 SER C . 11186 1 941 . 1 1 81 81 SER CA C 13 57.255 0.300 . 1 . . . . 81 SER CA . 11186 1 942 . 1 1 81 81 SER CB C 13 65.100 0.300 . 1 . . . . 81 SER CB . 11186 1 943 . 1 1 81 81 SER N N 15 120.502 0.300 . 1 . . . . 81 SER N . 11186 1 944 . 1 1 82 82 LEU H H 1 8.814 0.030 . 1 . . . . 82 LEU H . 11186 1 945 . 1 1 82 82 LEU HA H 1 3.922 0.030 . 1 . . . . 82 LEU HA . 11186 1 946 . 1 1 82 82 LEU HB2 H 1 1.413 0.030 . 2 . . . . 82 LEU HB2 . 11186 1 947 . 1 1 82 82 LEU HB3 H 1 1.825 0.030 . 2 . . . . 82 LEU HB3 . 11186 1 948 . 1 1 82 82 LEU HD11 H 1 0.856 0.030 . 1 . . . . 82 LEU HD1 . 11186 1 949 . 1 1 82 82 LEU HD12 H 1 0.856 0.030 . 1 . . . . 82 LEU HD1 . 11186 1 950 . 1 1 82 82 LEU HD13 H 1 0.856 0.030 . 1 . . . . 82 LEU HD1 . 11186 1 951 . 1 1 82 82 LEU HD21 H 1 1.013 0.030 . 1 . . . . 82 LEU HD2 . 11186 1 952 . 1 1 82 82 LEU HD22 H 1 1.013 0.030 . 1 . . . . 82 LEU HD2 . 11186 1 953 . 1 1 82 82 LEU HD23 H 1 1.013 0.030 . 1 . . . . 82 LEU HD2 . 11186 1 954 . 1 1 82 82 LEU HG H 1 1.609 0.030 . 1 . . . . 82 LEU HG . 11186 1 955 . 1 1 82 82 LEU C C 13 177.829 0.300 . 1 . . . . 82 LEU C . 11186 1 956 . 1 1 82 82 LEU CA C 13 58.487 0.300 . 1 . . . . 82 LEU CA . 11186 1 957 . 1 1 82 82 LEU CB C 13 41.289 0.300 . 1 . . . . 82 LEU CB . 11186 1 958 . 1 1 82 82 LEU CD1 C 13 23.089 0.300 . 2 . . . . 82 LEU CD1 . 11186 1 959 . 1 1 82 82 LEU CD2 C 13 25.759 0.300 . 2 . . . . 82 LEU CD2 . 11186 1 960 . 1 1 82 82 LEU CG C 13 26.598 0.300 . 1 . . . . 82 LEU CG . 11186 1 961 . 1 1 82 82 LEU N N 15 122.230 0.300 . 1 . . . . 82 LEU N . 11186 1 962 . 1 1 83 83 ALA H H 1 8.442 0.030 . 1 . . . . 83 ALA H . 11186 1 963 . 1 1 83 83 ALA HA H 1 3.953 0.030 . 1 . . . . 83 ALA HA . 11186 1 964 . 1 1 83 83 ALA HB1 H 1 1.360 0.030 . 1 . . . . 83 ALA HB . 11186 1 965 . 1 1 83 83 ALA HB2 H 1 1.360 0.030 . 1 . . . . 83 ALA HB . 11186 1 966 . 1 1 83 83 ALA HB3 H 1 1.360 0.030 . 1 . . . . 83 ALA HB . 11186 1 967 . 1 1 83 83 ALA C C 13 181.159 0.300 . 1 . . . . 83 ALA C . 11186 1 968 . 1 1 83 83 ALA CA C 13 55.173 0.300 . 1 . . . . 83 ALA CA . 11186 1 969 . 1 1 83 83 ALA CB C 13 18.045 0.300 . 1 . . . . 83 ALA CB . 11186 1 970 . 1 1 83 83 ALA N N 15 117.595 0.300 . 1 . . . . 83 ALA N . 11186 1 971 . 1 1 84 84 GLU H H 1 7.651 0.030 . 1 . . . . 84 GLU H . 11186 1 972 . 1 1 84 84 GLU HA H 1 3.937 0.030 . 1 . . . . 84 GLU HA . 11186 1 973 . 1 1 84 84 GLU HB2 H 1 1.896 0.030 . 2 . . . . 84 GLU HB2 . 11186 1 974 . 1 1 84 84 GLU HB3 H 1 2.200 0.030 . 2 . . . . 84 GLU HB3 . 11186 1 975 . 1 1 84 84 GLU HG2 H 1 2.195 0.030 . 2 . . . . 84 GLU HG2 . 11186 1 976 . 1 1 84 84 GLU HG3 H 1 2.250 0.030 . 2 . . . . 84 GLU HG3 . 11186 1 977 . 1 1 84 84 GLU C C 13 178.860 0.300 . 1 . . . . 84 GLU C . 11186 1 978 . 1 1 84 84 GLU CA C 13 58.726 0.300 . 1 . . . . 84 GLU CA . 11186 1 979 . 1 1 84 84 GLU CB C 13 30.111 0.300 . 1 . . . . 84 GLU CB . 11186 1 980 . 1 1 84 84 GLU CG C 13 36.918 0.300 . 1 . . . . 84 GLU CG . 11186 1 981 . 1 1 84 84 GLU N N 15 117.727 0.300 . 1 . . . . 84 GLU N . 11186 1 982 . 1 1 85 85 ALA H H 1 8.624 0.030 . 1 . . . . 85 ALA H . 11186 1 983 . 1 1 85 85 ALA HA H 1 3.858 0.030 . 1 . . . . 85 ALA HA . 11186 1 984 . 1 1 85 85 ALA HB1 H 1 1.388 0.030 . 1 . . . . 85 ALA HB . 11186 1 985 . 1 1 85 85 ALA HB2 H 1 1.388 0.030 . 1 . . . . 85 ALA HB . 11186 1 986 . 1 1 85 85 ALA HB3 H 1 1.388 0.030 . 1 . . . . 85 ALA HB . 11186 1 987 . 1 1 85 85 ALA C C 13 178.947 0.300 . 1 . . . . 85 ALA C . 11186 1 988 . 1 1 85 85 ALA CA C 13 55.444 0.300 . 1 . . . . 85 ALA CA . 11186 1 989 . 1 1 85 85 ALA CB C 13 18.490 0.300 . 1 . . . . 85 ALA CB . 11186 1 990 . 1 1 85 85 ALA N N 15 123.680 0.300 . 1 . . . . 85 ALA N . 11186 1 991 . 1 1 86 86 VAL H H 1 8.671 0.030 . 1 . . . . 86 VAL H . 11186 1 992 . 1 1 86 86 VAL HA H 1 3.452 0.030 . 1 . . . . 86 VAL HA . 11186 1 993 . 1 1 86 86 VAL HB H 1 2.145 0.030 . 1 . . . . 86 VAL HB . 11186 1 994 . 1 1 86 86 VAL HG11 H 1 0.892 0.030 . 1 . . . . 86 VAL HG1 . 11186 1 995 . 1 1 86 86 VAL HG12 H 1 0.892 0.030 . 1 . . . . 86 VAL HG1 . 11186 1 996 . 1 1 86 86 VAL HG13 H 1 0.892 0.030 . 1 . . . . 86 VAL HG1 . 11186 1 997 . 1 1 86 86 VAL HG21 H 1 1.047 0.030 . 1 . . . . 86 VAL HG2 . 11186 1 998 . 1 1 86 86 VAL HG22 H 1 1.047 0.030 . 1 . . . . 86 VAL HG2 . 11186 1 999 . 1 1 86 86 VAL HG23 H 1 1.047 0.030 . 1 . . . . 86 VAL HG2 . 11186 1 1000 . 1 1 86 86 VAL C C 13 178.963 0.300 . 1 . . . . 86 VAL C . 11186 1 1001 . 1 1 86 86 VAL CA C 13 66.899 0.300 . 1 . . . . 86 VAL CA . 11186 1 1002 . 1 1 86 86 VAL CB C 13 31.811 0.300 . 1 . . . . 86 VAL CB . 11186 1 1003 . 1 1 86 86 VAL CG1 C 13 21.177 0.300 . 2 . . . . 86 VAL CG1 . 11186 1 1004 . 1 1 86 86 VAL CG2 C 13 23.347 0.300 . 2 . . . . 86 VAL CG2 . 11186 1 1005 . 1 1 86 86 VAL N N 15 117.581 0.300 . 1 . . . . 86 VAL N . 11186 1 1006 . 1 1 87 87 GLU H H 1 7.404 0.030 . 1 . . . . 87 GLU H . 11186 1 1007 . 1 1 87 87 GLU HA H 1 3.944 0.030 . 1 . . . . 87 GLU HA . 11186 1 1008 . 1 1 87 87 GLU HB2 H 1 2.065 0.030 . 1 . . . . 87 GLU HB2 . 11186 1 1009 . 1 1 87 87 GLU HB3 H 1 2.065 0.030 . 1 . . . . 87 GLU HB3 . 11186 1 1010 . 1 1 87 87 GLU HG2 H 1 2.330 0.030 . 1 . . . . 87 GLU HG2 . 11186 1 1011 . 1 1 87 87 GLU HG3 H 1 2.330 0.030 . 1 . . . . 87 GLU HG3 . 11186 1 1012 . 1 1 87 87 GLU C C 13 179.375 0.300 . 1 . . . . 87 GLU C . 11186 1 1013 . 1 1 87 87 GLU CA C 13 58.935 0.300 . 1 . . . . 87 GLU CA . 11186 1 1014 . 1 1 87 87 GLU CB C 13 28.729 0.300 . 1 . . . . 87 GLU CB . 11186 1 1015 . 1 1 87 87 GLU CG C 13 35.592 0.300 . 1 . . . . 87 GLU CG . 11186 1 1016 . 1 1 87 87 GLU N N 15 118.933 0.300 . 1 . . . . 87 GLU N . 11186 1 1017 . 1 1 88 88 ILE H H 1 8.032 0.030 . 1 . . . . 88 ILE H . 11186 1 1018 . 1 1 88 88 ILE HA H 1 3.423 0.030 . 1 . . . . 88 ILE HA . 11186 1 1019 . 1 1 88 88 ILE HB H 1 1.756 0.030 . 1 . . . . 88 ILE HB . 11186 1 1020 . 1 1 88 88 ILE HD11 H 1 0.520 0.030 . 1 . . . . 88 ILE HD1 . 11186 1 1021 . 1 1 88 88 ILE HD12 H 1 0.520 0.030 . 1 . . . . 88 ILE HD1 . 11186 1 1022 . 1 1 88 88 ILE HD13 H 1 0.520 0.030 . 1 . . . . 88 ILE HD1 . 11186 1 1023 . 1 1 88 88 ILE HG12 H 1 0.502 0.030 . 2 . . . . 88 ILE HG12 . 11186 1 1024 . 1 1 88 88 ILE HG13 H 1 1.519 0.030 . 2 . . . . 88 ILE HG13 . 11186 1 1025 . 1 1 88 88 ILE HG21 H 1 0.457 0.030 . 1 . . . . 88 ILE HG2 . 11186 1 1026 . 1 1 88 88 ILE HG22 H 1 0.457 0.030 . 1 . . . . 88 ILE HG2 . 11186 1 1027 . 1 1 88 88 ILE HG23 H 1 0.457 0.030 . 1 . . . . 88 ILE HG2 . 11186 1 1028 . 1 1 88 88 ILE C C 13 178.487 0.300 . 1 . . . . 88 ILE C . 11186 1 1029 . 1 1 88 88 ILE CA C 13 65.126 0.300 . 1 . . . . 88 ILE CA . 11186 1 1030 . 1 1 88 88 ILE CB C 13 37.851 0.300 . 1 . . . . 88 ILE CB . 11186 1 1031 . 1 1 88 88 ILE CD1 C 13 13.683 0.300 . 1 . . . . 88 ILE CD1 . 11186 1 1032 . 1 1 88 88 ILE CG1 C 13 29.331 0.300 . 1 . . . . 88 ILE CG1 . 11186 1 1033 . 1 1 88 88 ILE CG2 C 13 16.403 0.300 . 1 . . . . 88 ILE CG2 . 11186 1 1034 . 1 1 88 88 ILE N N 15 122.307 0.300 . 1 . . . . 88 ILE N . 11186 1 1035 . 1 1 89 89 LEU H H 1 7.981 0.030 . 1 . . . . 89 LEU H . 11186 1 1036 . 1 1 89 89 LEU HA H 1 3.850 0.030 . 1 . . . . 89 LEU HA . 11186 1 1037 . 1 1 89 89 LEU HB2 H 1 1.306 0.030 . 2 . . . . 89 LEU HB2 . 11186 1 1038 . 1 1 89 89 LEU HB3 H 1 1.811 0.030 . 2 . . . . 89 LEU HB3 . 11186 1 1039 . 1 1 89 89 LEU HD11 H 1 0.741 0.030 . 1 . . . . 89 LEU HD1 . 11186 1 1040 . 1 1 89 89 LEU HD12 H 1 0.741 0.030 . 1 . . . . 89 LEU HD1 . 11186 1 1041 . 1 1 89 89 LEU HD13 H 1 0.741 0.030 . 1 . . . . 89 LEU HD1 . 11186 1 1042 . 1 1 89 89 LEU HD21 H 1 0.774 0.030 . 1 . . . . 89 LEU HD2 . 11186 1 1043 . 1 1 89 89 LEU HD22 H 1 0.774 0.030 . 1 . . . . 89 LEU HD2 . 11186 1 1044 . 1 1 89 89 LEU HD23 H 1 0.774 0.030 . 1 . . . . 89 LEU HD2 . 11186 1 1045 . 1 1 89 89 LEU HG H 1 1.633 0.030 . 1 . . . . 89 LEU HG . 11186 1 1046 . 1 1 89 89 LEU C C 13 179.463 0.300 . 1 . . . . 89 LEU C . 11186 1 1047 . 1 1 89 89 LEU CA C 13 58.102 0.300 . 1 . . . . 89 LEU CA . 11186 1 1048 . 1 1 89 89 LEU CB C 13 41.639 0.300 . 1 . . . . 89 LEU CB . 11186 1 1049 . 1 1 89 89 LEU CD1 C 13 25.672 0.300 . 2 . . . . 89 LEU CD1 . 11186 1 1050 . 1 1 89 89 LEU CD2 C 13 24.279 0.300 . 2 . . . . 89 LEU CD2 . 11186 1 1051 . 1 1 89 89 LEU CG C 13 27.778 0.300 . 1 . . . . 89 LEU CG . 11186 1 1052 . 1 1 89 89 LEU N N 15 118.691 0.300 . 1 . . . . 89 LEU N . 11186 1 1053 . 1 1 90 90 LYS H H 1 7.983 0.030 . 1 . . . . 90 LYS H . 11186 1 1054 . 1 1 90 90 LYS HA H 1 3.930 0.030 . 1 . . . . 90 LYS HA . 11186 1 1055 . 1 1 90 90 LYS HB2 H 1 1.820 0.030 . 1 . . . . 90 LYS HB2 . 11186 1 1056 . 1 1 90 90 LYS HB3 H 1 1.820 0.030 . 1 . . . . 90 LYS HB3 . 11186 1 1057 . 1 1 90 90 LYS HD2 H 1 1.608 0.030 . 1 . . . . 90 LYS HD2 . 11186 1 1058 . 1 1 90 90 LYS HD3 H 1 1.608 0.030 . 1 . . . . 90 LYS HD3 . 11186 1 1059 . 1 1 90 90 LYS HE2 H 1 2.857 0.030 . 1 . . . . 90 LYS HE2 . 11186 1 1060 . 1 1 90 90 LYS HE3 H 1 2.857 0.030 . 1 . . . . 90 LYS HE3 . 11186 1 1061 . 1 1 90 90 LYS HG2 H 1 1.370 0.030 . 2 . . . . 90 LYS HG2 . 11186 1 1062 . 1 1 90 90 LYS HG3 H 1 1.542 0.030 . 2 . . . . 90 LYS HG3 . 11186 1 1063 . 1 1 90 90 LYS C C 13 177.583 0.300 . 1 . . . . 90 LYS C . 11186 1 1064 . 1 1 90 90 LYS CA C 13 58.913 0.300 . 1 . . . . 90 LYS CA . 11186 1 1065 . 1 1 90 90 LYS CB C 13 32.880 0.300 . 1 . . . . 90 LYS CB . 11186 1 1066 . 1 1 90 90 LYS CD C 13 29.595 0.300 . 1 . . . . 90 LYS CD . 11186 1 1067 . 1 1 90 90 LYS CE C 13 41.774 0.300 . 1 . . . . 90 LYS CE . 11186 1 1068 . 1 1 90 90 LYS CG C 13 25.175 0.300 . 1 . . . . 90 LYS CG . 11186 1 1069 . 1 1 90 90 LYS N N 15 118.843 0.300 . 1 . . . . 90 LYS N . 11186 1 1070 . 1 1 91 91 ALA H H 1 7.570 0.030 . 1 . . . . 91 ALA H . 11186 1 1071 . 1 1 91 91 ALA HA H 1 4.171 0.030 . 1 . . . . 91 ALA HA . 11186 1 1072 . 1 1 91 91 ALA HB1 H 1 1.397 0.030 . 1 . . . . 91 ALA HB . 11186 1 1073 . 1 1 91 91 ALA HB2 H 1 1.397 0.030 . 1 . . . . 91 ALA HB . 11186 1 1074 . 1 1 91 91 ALA HB3 H 1 1.397 0.030 . 1 . . . . 91 ALA HB . 11186 1 1075 . 1 1 91 91 ALA C C 13 178.527 0.300 . 1 . . . . 91 ALA C . 11186 1 1076 . 1 1 91 91 ALA CA C 13 52.522 0.300 . 1 . . . . 91 ALA CA . 11186 1 1077 . 1 1 91 91 ALA CB C 13 19.087 0.300 . 1 . . . . 91 ALA CB . 11186 1 1078 . 1 1 91 91 ALA N N 15 119.115 0.300 . 1 . . . . 91 ALA N . 11186 1 1079 . 1 1 92 92 VAL H H 1 7.162 0.030 . 1 . . . . 92 VAL H . 11186 1 1080 . 1 1 92 92 VAL HA H 1 4.257 0.030 . 1 . . . . 92 VAL HA . 11186 1 1081 . 1 1 92 92 VAL HB H 1 2.030 0.030 . 1 . . . . 92 VAL HB . 11186 1 1082 . 1 1 92 92 VAL HG11 H 1 1.094 0.030 . 1 . . . . 92 VAL HG1 . 11186 1 1083 . 1 1 92 92 VAL HG12 H 1 1.094 0.030 . 1 . . . . 92 VAL HG1 . 11186 1 1084 . 1 1 92 92 VAL HG13 H 1 1.094 0.030 . 1 . . . . 92 VAL HG1 . 11186 1 1085 . 1 1 92 92 VAL HG21 H 1 1.093 0.030 . 1 . . . . 92 VAL HG2 . 11186 1 1086 . 1 1 92 92 VAL HG22 H 1 1.093 0.030 . 1 . . . . 92 VAL HG2 . 11186 1 1087 . 1 1 92 92 VAL HG23 H 1 1.093 0.030 . 1 . . . . 92 VAL HG2 . 11186 1 1088 . 1 1 92 92 VAL C C 13 174.090 0.300 . 1 . . . . 92 VAL C . 11186 1 1089 . 1 1 92 92 VAL CA C 13 60.822 0.300 . 1 . . . . 92 VAL CA . 11186 1 1090 . 1 1 92 92 VAL CB C 13 31.755 0.300 . 1 . . . . 92 VAL CB . 11186 1 1091 . 1 1 92 92 VAL CG1 C 13 21.652 0.300 . 2 . . . . 92 VAL CG1 . 11186 1 1092 . 1 1 92 92 VAL CG2 C 13 22.302 0.300 . 2 . . . . 92 VAL CG2 . 11186 1 1093 . 1 1 92 92 VAL N N 15 118.947 0.300 . 1 . . . . 92 VAL N . 11186 1 1094 . 1 1 93 93 PRO HA H 1 4.682 0.030 . 1 . . . . 93 PRO HA . 11186 1 1095 . 1 1 93 93 PRO HB2 H 1 1.881 0.030 . 2 . . . . 93 PRO HB2 . 11186 1 1096 . 1 1 93 93 PRO HB3 H 1 2.375 0.030 . 2 . . . . 93 PRO HB3 . 11186 1 1097 . 1 1 93 93 PRO HD2 H 1 3.557 0.030 . 2 . . . . 93 PRO HD2 . 11186 1 1098 . 1 1 93 93 PRO HD3 H 1 4.091 0.030 . 2 . . . . 93 PRO HD3 . 11186 1 1099 . 1 1 93 93 PRO HG2 H 1 2.023 0.030 . 2 . . . . 93 PRO HG2 . 11186 1 1100 . 1 1 93 93 PRO HG3 H 1 2.101 0.030 . 2 . . . . 93 PRO HG3 . 11186 1 1101 . 1 1 93 93 PRO CA C 13 61.871 0.300 . 1 . . . . 93 PRO CA . 11186 1 1102 . 1 1 93 93 PRO CB C 13 30.687 0.300 . 1 . . . . 93 PRO CB . 11186 1 1103 . 1 1 93 93 PRO CD C 13 51.139 0.300 . 1 . . . . 93 PRO CD . 11186 1 1104 . 1 1 93 93 PRO CG C 13 27.441 0.300 . 1 . . . . 93 PRO CG . 11186 1 1105 . 1 1 94 94 PRO HA H 1 3.992 0.030 . 1 . . . . 94 PRO HA . 11186 1 1106 . 1 1 94 94 PRO HB2 H 1 1.855 0.030 . 2 . . . . 94 PRO HB2 . 11186 1 1107 . 1 1 94 94 PRO HB3 H 1 2.178 0.030 . 2 . . . . 94 PRO HB3 . 11186 1 1108 . 1 1 94 94 PRO HD2 H 1 3.573 0.030 . 2 . . . . 94 PRO HD2 . 11186 1 1109 . 1 1 94 94 PRO HD3 H 1 3.782 0.030 . 2 . . . . 94 PRO HD3 . 11186 1 1110 . 1 1 94 94 PRO HG2 H 1 1.859 0.030 . 2 . . . . 94 PRO HG2 . 11186 1 1111 . 1 1 94 94 PRO HG3 H 1 2.051 0.030 . 2 . . . . 94 PRO HG3 . 11186 1 1112 . 1 1 94 94 PRO C C 13 175.906 0.300 . 1 . . . . 94 PRO C . 11186 1 1113 . 1 1 94 94 PRO CA C 13 63.173 0.300 . 1 . . . . 94 PRO CA . 11186 1 1114 . 1 1 94 94 PRO CB C 13 31.998 0.300 . 1 . . . . 94 PRO CB . 11186 1 1115 . 1 1 94 94 PRO CD C 13 50.109 0.300 . 1 . . . . 94 PRO CD . 11186 1 1116 . 1 1 94 94 PRO CG C 13 27.741 0.300 . 1 . . . . 94 PRO CG . 11186 1 1117 . 1 1 95 95 GLY H H 1 8.577 0.030 . 1 . . . . 95 GLY H . 11186 1 1118 . 1 1 95 95 GLY HA2 H 1 3.584 0.030 . 2 . . . . 95 GLY HA2 . 11186 1 1119 . 1 1 95 95 GLY HA3 H 1 4.563 0.030 . 2 . . . . 95 GLY HA3 . 11186 1 1120 . 1 1 95 95 GLY C C 13 172.778 0.300 . 1 . . . . 95 GLY C . 11186 1 1121 . 1 1 95 95 GLY CA C 13 43.284 0.300 . 1 . . . . 95 GLY CA . 11186 1 1122 . 1 1 95 95 GLY N N 15 109.939 0.300 . 1 . . . . 95 GLY N . 11186 1 1123 . 1 1 96 96 LEU H H 1 8.463 0.030 . 1 . . . . 96 LEU H . 11186 1 1124 . 1 1 96 96 LEU HA H 1 4.367 0.030 . 1 . . . . 96 LEU HA . 11186 1 1125 . 1 1 96 96 LEU HB2 H 1 1.313 0.030 . 2 . . . . 96 LEU HB2 . 11186 1 1126 . 1 1 96 96 LEU HB3 H 1 1.557 0.030 . 2 . . . . 96 LEU HB3 . 11186 1 1127 . 1 1 96 96 LEU HD11 H 1 0.792 0.030 . 1 . . . . 96 LEU HD1 . 11186 1 1128 . 1 1 96 96 LEU HD12 H 1 0.792 0.030 . 1 . . . . 96 LEU HD1 . 11186 1 1129 . 1 1 96 96 LEU HD13 H 1 0.792 0.030 . 1 . . . . 96 LEU HD1 . 11186 1 1130 . 1 1 96 96 LEU HD21 H 1 0.745 0.030 . 1 . . . . 96 LEU HD2 . 11186 1 1131 . 1 1 96 96 LEU HD22 H 1 0.745 0.030 . 1 . . . . 96 LEU HD2 . 11186 1 1132 . 1 1 96 96 LEU HD23 H 1 0.745 0.030 . 1 . . . . 96 LEU HD2 . 11186 1 1133 . 1 1 96 96 LEU HG H 1 1.348 0.030 . 1 . . . . 96 LEU HG . 11186 1 1134 . 1 1 96 96 LEU C C 13 177.226 0.300 . 1 . . . . 96 LEU C . 11186 1 1135 . 1 1 96 96 LEU CA C 13 56.235 0.300 . 1 . . . . 96 LEU CA . 11186 1 1136 . 1 1 96 96 LEU CB C 13 42.541 0.300 . 1 . . . . 96 LEU CB . 11186 1 1137 . 1 1 96 96 LEU CD1 C 13 24.309 0.300 . 2 . . . . 96 LEU CD1 . 11186 1 1138 . 1 1 96 96 LEU CD2 C 13 24.647 0.300 . 2 . . . . 96 LEU CD2 . 11186 1 1139 . 1 1 96 96 LEU CG C 13 26.935 0.300 . 1 . . . . 96 LEU CG . 11186 1 1140 . 1 1 96 96 LEU N N 15 122.830 0.300 . 1 . . . . 96 LEU N . 11186 1 1141 . 1 1 97 97 VAL H H 1 9.407 0.030 . 1 . . . . 97 VAL H . 11186 1 1142 . 1 1 97 97 VAL HA H 1 4.594 0.030 . 1 . . . . 97 VAL HA . 11186 1 1143 . 1 1 97 97 VAL HB H 1 1.924 0.030 . 1 . . . . 97 VAL HB . 11186 1 1144 . 1 1 97 97 VAL HG11 H 1 0.908 0.030 . 1 . . . . 97 VAL HG1 . 11186 1 1145 . 1 1 97 97 VAL HG12 H 1 0.908 0.030 . 1 . . . . 97 VAL HG1 . 11186 1 1146 . 1 1 97 97 VAL HG13 H 1 0.908 0.030 . 1 . . . . 97 VAL HG1 . 11186 1 1147 . 1 1 97 97 VAL HG21 H 1 1.021 0.030 . 1 . . . . 97 VAL HG2 . 11186 1 1148 . 1 1 97 97 VAL HG22 H 1 1.021 0.030 . 1 . . . . 97 VAL HG2 . 11186 1 1149 . 1 1 97 97 VAL HG23 H 1 1.021 0.030 . 1 . . . . 97 VAL HG2 . 11186 1 1150 . 1 1 97 97 VAL C C 13 173.928 0.300 . 1 . . . . 97 VAL C . 11186 1 1151 . 1 1 97 97 VAL CA C 13 60.570 0.300 . 1 . . . . 97 VAL CA . 11186 1 1152 . 1 1 97 97 VAL CB C 13 34.831 0.300 . 1 . . . . 97 VAL CB . 11186 1 1153 . 1 1 97 97 VAL CG1 C 13 21.777 0.300 . 2 . . . . 97 VAL CG1 . 11186 1 1154 . 1 1 97 97 VAL CG2 C 13 23.033 0.300 . 2 . . . . 97 VAL CG2 . 11186 1 1155 . 1 1 97 97 VAL N N 15 127.172 0.300 . 1 . . . . 97 VAL N . 11186 1 1156 . 1 1 98 98 HIS H H 1 8.705 0.030 . 1 . . . . 98 HIS H . 11186 1 1157 . 1 1 98 98 HIS HA H 1 5.128 0.030 . 1 . . . . 98 HIS HA . 11186 1 1158 . 1 1 98 98 HIS HB2 H 1 2.843 0.030 . 2 . . . . 98 HIS HB2 . 11186 1 1159 . 1 1 98 98 HIS HB3 H 1 3.107 0.030 . 2 . . . . 98 HIS HB3 . 11186 1 1160 . 1 1 98 98 HIS HD2 H 1 6.936 0.030 . 1 . . . . 98 HIS HD2 . 11186 1 1161 . 1 1 98 98 HIS HE1 H 1 8.002 0.030 . 1 . . . . 98 HIS HE1 . 11186 1 1162 . 1 1 98 98 HIS C C 13 175.323 0.300 . 1 . . . . 98 HIS C . 11186 1 1163 . 1 1 98 98 HIS CA C 13 55.055 0.300 . 1 . . . . 98 HIS CA . 11186 1 1164 . 1 1 98 98 HIS CB C 13 30.971 0.300 . 1 . . . . 98 HIS CB . 11186 1 1165 . 1 1 98 98 HIS CD2 C 13 118.544 0.300 . 1 . . . . 98 HIS CD2 . 11186 1 1166 . 1 1 98 98 HIS CE1 C 13 137.098 0.300 . 1 . . . . 98 HIS CE1 . 11186 1 1167 . 1 1 98 98 HIS N N 15 123.223 0.300 . 1 . . . . 98 HIS N . 11186 1 1168 . 1 1 99 99 LEU H H 1 9.585 0.030 . 1 . . . . 99 LEU H . 11186 1 1169 . 1 1 99 99 LEU HA H 1 5.120 0.030 . 1 . . . . 99 LEU HA . 11186 1 1170 . 1 1 99 99 LEU HB2 H 1 1.291 0.030 . 2 . . . . 99 LEU HB2 . 11186 1 1171 . 1 1 99 99 LEU HB3 H 1 1.828 0.030 . 2 . . . . 99 LEU HB3 . 11186 1 1172 . 1 1 99 99 LEU HD11 H 1 0.828 0.030 . 1 . . . . 99 LEU HD1 . 11186 1 1173 . 1 1 99 99 LEU HD12 H 1 0.828 0.030 . 1 . . . . 99 LEU HD1 . 11186 1 1174 . 1 1 99 99 LEU HD13 H 1 0.828 0.030 . 1 . . . . 99 LEU HD1 . 11186 1 1175 . 1 1 99 99 LEU HD21 H 1 0.975 0.030 . 1 . . . . 99 LEU HD2 . 11186 1 1176 . 1 1 99 99 LEU HD22 H 1 0.975 0.030 . 1 . . . . 99 LEU HD2 . 11186 1 1177 . 1 1 99 99 LEU HD23 H 1 0.975 0.030 . 1 . . . . 99 LEU HD2 . 11186 1 1178 . 1 1 99 99 LEU HG H 1 1.671 0.030 . 1 . . . . 99 LEU HG . 11186 1 1179 . 1 1 99 99 LEU C C 13 174.911 0.300 . 1 . . . . 99 LEU C . 11186 1 1180 . 1 1 99 99 LEU CA C 13 53.204 0.300 . 1 . . . . 99 LEU CA . 11186 1 1181 . 1 1 99 99 LEU CB C 13 42.964 0.300 . 1 . . . . 99 LEU CB . 11186 1 1182 . 1 1 99 99 LEU CD1 C 13 27.722 0.300 . 2 . . . . 99 LEU CD1 . 11186 1 1183 . 1 1 99 99 LEU CD2 C 13 24.960 0.300 . 2 . . . . 99 LEU CD2 . 11186 1 1184 . 1 1 99 99 LEU CG C 13 26.965 0.300 . 1 . . . . 99 LEU CG . 11186 1 1185 . 1 1 99 99 LEU N N 15 128.260 0.300 . 1 . . . . 99 LEU N . 11186 1 1186 . 1 1 100 100 GLY H H 1 8.771 0.030 . 1 . . . . 100 GLY H . 11186 1 1187 . 1 1 100 100 GLY HA2 H 1 3.325 0.030 . 2 . . . . 100 GLY HA2 . 11186 1 1188 . 1 1 100 100 GLY HA3 H 1 4.759 0.030 . 2 . . . . 100 GLY HA3 . 11186 1 1189 . 1 1 100 100 GLY C C 13 172.969 0.300 . 1 . . . . 100 GLY C . 11186 1 1190 . 1 1 100 100 GLY CA C 13 45.300 0.300 . 1 . . . . 100 GLY CA . 11186 1 1191 . 1 1 100 100 GLY N N 15 112.760 0.300 . 1 . . . . 100 GLY N . 11186 1 1192 . 1 1 101 101 ILE H H 1 9.456 0.030 . 1 . . . . 101 ILE H . 11186 1 1193 . 1 1 101 101 ILE HA H 1 5.365 0.030 . 1 . . . . 101 ILE HA . 11186 1 1194 . 1 1 101 101 ILE HB H 1 1.870 0.030 . 1 . . . . 101 ILE HB . 11186 1 1195 . 1 1 101 101 ILE HD11 H 1 0.655 0.030 . 1 . . . . 101 ILE HD1 . 11186 1 1196 . 1 1 101 101 ILE HD12 H 1 0.655 0.030 . 1 . . . . 101 ILE HD1 . 11186 1 1197 . 1 1 101 101 ILE HD13 H 1 0.655 0.030 . 1 . . . . 101 ILE HD1 . 11186 1 1198 . 1 1 101 101 ILE HG12 H 1 1.265 0.030 . 1 . . . . 101 ILE HG12 . 11186 1 1199 . 1 1 101 101 ILE HG13 H 1 1.265 0.030 . 1 . . . . 101 ILE HG13 . 11186 1 1200 . 1 1 101 101 ILE HG21 H 1 0.821 0.030 . 1 . . . . 101 ILE HG2 . 11186 1 1201 . 1 1 101 101 ILE HG22 H 1 0.821 0.030 . 1 . . . . 101 ILE HG2 . 11186 1 1202 . 1 1 101 101 ILE HG23 H 1 0.821 0.030 . 1 . . . . 101 ILE HG2 . 11186 1 1203 . 1 1 101 101 ILE C C 13 175.751 0.300 . 1 . . . . 101 ILE C . 11186 1 1204 . 1 1 101 101 ILE CA C 13 57.267 0.300 . 1 . . . . 101 ILE CA . 11186 1 1205 . 1 1 101 101 ILE CB C 13 41.012 0.300 . 1 . . . . 101 ILE CB . 11186 1 1206 . 1 1 101 101 ILE CD1 C 13 12.314 0.300 . 1 . . . . 101 ILE CD1 . 11186 1 1207 . 1 1 101 101 ILE CG1 C 13 26.055 0.300 . 1 . . . . 101 ILE CG1 . 11186 1 1208 . 1 1 101 101 ILE CG2 C 13 17.755 0.300 . 1 . . . . 101 ILE CG2 . 11186 1 1209 . 1 1 101 101 ILE N N 15 127.487 0.300 . 1 . . . . 101 ILE N . 11186 1 1210 . 1 1 102 102 CYS H H 1 8.937 0.030 . 1 . . . . 102 CYS H . 11186 1 1211 . 1 1 102 102 CYS HA H 1 5.046 0.030 . 1 . . . . 102 CYS HA . 11186 1 1212 . 1 1 102 102 CYS HB2 H 1 2.333 0.030 . 2 . . . . 102 CYS HB2 . 11186 1 1213 . 1 1 102 102 CYS HB3 H 1 3.499 0.030 . 2 . . . . 102 CYS HB3 . 11186 1 1214 . 1 1 102 102 CYS C C 13 174.578 0.300 . 1 . . . . 102 CYS C . 11186 1 1215 . 1 1 102 102 CYS CA C 13 57.264 0.300 . 1 . . . . 102 CYS CA . 11186 1 1216 . 1 1 102 102 CYS CB C 13 30.521 0.300 . 1 . . . . 102 CYS CB . 11186 1 1217 . 1 1 102 102 CYS N N 15 122.764 0.300 . 1 . . . . 102 CYS N . 11186 1 1218 . 1 1 103 103 SER H H 1 9.125 0.030 . 1 . . . . 103 SER H . 11186 1 1219 . 1 1 103 103 SER HA H 1 4.474 0.030 . 1 . . . . 103 SER HA . 11186 1 1220 . 1 1 103 103 SER HB2 H 1 3.731 0.030 . 2 . . . . 103 SER HB2 . 11186 1 1221 . 1 1 103 103 SER HB3 H 1 4.009 0.030 . 2 . . . . 103 SER HB3 . 11186 1 1222 . 1 1 103 103 SER C C 13 175.315 0.300 . 1 . . . . 103 SER C . 11186 1 1223 . 1 1 103 103 SER CA C 13 59.494 0.300 . 1 . . . . 103 SER CA . 11186 1 1224 . 1 1 103 103 SER CB C 13 64.120 0.300 . 1 . . . . 103 SER CB . 11186 1 1225 . 1 1 103 103 SER N N 15 121.238 0.300 . 1 . . . . 103 SER N . 11186 1 1226 . 1 1 104 104 GLY H H 1 9.211 0.030 . 1 . . . . 104 GLY H . 11186 1 1227 . 1 1 104 104 GLY HA2 H 1 3.914 0.030 . 2 . . . . 104 GLY HA2 . 11186 1 1228 . 1 1 104 104 GLY HA3 H 1 4.417 0.030 . 2 . . . . 104 GLY HA3 . 11186 1 1229 . 1 1 104 104 GLY C C 13 172.044 0.300 . 1 . . . . 104 GLY C . 11186 1 1230 . 1 1 104 104 GLY CA C 13 44.585 0.300 . 1 . . . . 104 GLY CA . 11186 1 1231 . 1 1 104 104 GLY N N 15 111.317 0.300 . 1 . . . . 104 GLY N . 11186 1 1232 . 1 1 105 105 PRO HA H 1 4.363 0.030 . 1 . . . . 105 PRO HA . 11186 1 1233 . 1 1 105 105 PRO HB2 H 1 1.847 0.030 . 2 . . . . 105 PRO HB2 . 11186 1 1234 . 1 1 105 105 PRO HB3 H 1 2.133 0.030 . 2 . . . . 105 PRO HB3 . 11186 1 1235 . 1 1 105 105 PRO HD2 H 1 3.256 0.030 . 2 . . . . 105 PRO HD2 . 11186 1 1236 . 1 1 105 105 PRO HD3 H 1 3.412 0.030 . 2 . . . . 105 PRO HD3 . 11186 1 1237 . 1 1 105 105 PRO HG2 H 1 1.749 0.030 . 2 . . . . 105 PRO HG2 . 11186 1 1238 . 1 1 105 105 PRO HG3 H 1 1.806 0.030 . 2 . . . . 105 PRO HG3 . 11186 1 1239 . 1 1 105 105 PRO C C 13 177.365 0.300 . 1 . . . . 105 PRO C . 11186 1 1240 . 1 1 105 105 PRO CA C 13 63.203 0.300 . 1 . . . . 105 PRO CA . 11186 1 1241 . 1 1 105 105 PRO CB C 13 32.025 0.300 . 1 . . . . 105 PRO CB . 11186 1 1242 . 1 1 105 105 PRO CD C 13 49.433 0.300 . 1 . . . . 105 PRO CD . 11186 1 1243 . 1 1 105 105 PRO CG C 13 27.017 0.300 . 1 . . . . 105 PRO CG . 11186 1 1244 . 1 1 106 106 SER H H 1 8.518 0.030 . 1 . . . . 106 SER H . 11186 1 1245 . 1 1 106 106 SER HA H 1 4.462 0.030 . 1 . . . . 106 SER HA . 11186 1 1246 . 1 1 106 106 SER HB2 H 1 3.840 0.030 . 2 . . . . 106 SER HB2 . 11186 1 1247 . 1 1 106 106 SER HB3 H 1 3.884 0.030 . 2 . . . . 106 SER HB3 . 11186 1 1248 . 1 1 106 106 SER C C 13 174.677 0.300 . 1 . . . . 106 SER C . 11186 1 1249 . 1 1 106 106 SER CA C 13 58.271 0.300 . 1 . . . . 106 SER CA . 11186 1 1250 . 1 1 106 106 SER CB C 13 63.689 0.300 . 1 . . . . 106 SER CB . 11186 1 1251 . 1 1 106 106 SER N N 15 116.229 0.300 . 1 . . . . 106 SER N . 11186 1 1252 . 1 1 107 107 SER H H 1 8.299 0.030 . 1 . . . . 107 SER H . 11186 1 1253 . 1 1 107 107 SER HA H 1 4.464 0.030 . 1 . . . . 107 SER HA . 11186 1 1254 . 1 1 107 107 SER HB2 H 1 3.839 0.030 . 2 . . . . 107 SER HB2 . 11186 1 1255 . 1 1 107 107 SER HB3 H 1 3.905 0.030 . 2 . . . . 107 SER HB3 . 11186 1 1256 . 1 1 107 107 SER C C 13 173.972 0.300 . 1 . . . . 107 SER C . 11186 1 1257 . 1 1 107 107 SER CA C 13 58.274 0.300 . 1 . . . . 107 SER CA . 11186 1 1258 . 1 1 107 107 SER CB C 13 64.115 0.300 . 1 . . . . 107 SER CB . 11186 1 1259 . 1 1 107 107 SER N N 15 118.082 0.300 . 1 . . . . 107 SER N . 11186 1 1260 . 1 1 108 108 GLY H H 1 8.052 0.030 . 1 . . . . 108 GLY H . 11186 1 1261 . 1 1 108 108 GLY HA2 H 1 3.740 0.030 . 1 . . . . 108 GLY HA2 . 11186 1 1262 . 1 1 108 108 GLY HA3 H 1 3.740 0.030 . 1 . . . . 108 GLY HA3 . 11186 1 1263 . 1 1 108 108 GLY C C 13 178.990 0.300 . 1 . . . . 108 GLY C . 11186 1 1264 . 1 1 108 108 GLY CA C 13 46.105 0.300 . 1 . . . . 108 GLY CA . 11186 1 1265 . 1 1 108 108 GLY N N 15 116.895 0.300 . 1 . . . . 108 GLY N . 11186 1 stop_ save_