data_11180 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11180 _Entry.Title ; Solution structure of the first SH3 domain of KIAA0318 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 . . . 11180 2 F. Hayashi . . . 11180 3 S. Yokoyama . . . 11180 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)' . 11180 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11180 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 11180 '15N chemical shifts' 100 11180 '1H chemical shifts' 611 11180 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 . 11180 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WIE 'BMRB Entry Tracking System' 11180 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11180 _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 first SH3 domain of KIAA0318 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 . . . 11180 1 2 F. Hayashi . . . 11180 1 3 S. Yokoyama . . . 11180 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11180 _Assembly.ID 1 _Assembly.Name 'RIM binding protein 2' _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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11180 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 1wie . . . . . . 11180 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11180 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGTSKQRYSGKVHLC VARYSYNPFDGPNENPEAEL PLTAGKYLYVYGDMDEDGFY EGELLDGQRGLVPSNFVDFV QDNESRLASTSGPSSG ; _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 96 _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 1WIE . "Solution Structure Of The First Sh3 Domain Of Kiaa0318 Protein" . . . . . 100.00 96 100.00 100.00 7.88e-62 . . . . 11180 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11180 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 . 11180 1 2 . SER . 11180 1 3 . SER . 11180 1 4 . GLY . 11180 1 5 . SER . 11180 1 6 . SER . 11180 1 7 . GLY . 11180 1 8 . THR . 11180 1 9 . SER . 11180 1 10 . LYS . 11180 1 11 . GLN . 11180 1 12 . ARG . 11180 1 13 . TYR . 11180 1 14 . SER . 11180 1 15 . GLY . 11180 1 16 . LYS . 11180 1 17 . VAL . 11180 1 18 . HIS . 11180 1 19 . LEU . 11180 1 20 . CYS . 11180 1 21 . VAL . 11180 1 22 . ALA . 11180 1 23 . ARG . 11180 1 24 . TYR . 11180 1 25 . SER . 11180 1 26 . TYR . 11180 1 27 . ASN . 11180 1 28 . PRO . 11180 1 29 . PHE . 11180 1 30 . ASP . 11180 1 31 . GLY . 11180 1 32 . PRO . 11180 1 33 . ASN . 11180 1 34 . GLU . 11180 1 35 . ASN . 11180 1 36 . PRO . 11180 1 37 . GLU . 11180 1 38 . ALA . 11180 1 39 . GLU . 11180 1 40 . LEU . 11180 1 41 . PRO . 11180 1 42 . LEU . 11180 1 43 . THR . 11180 1 44 . ALA . 11180 1 45 . GLY . 11180 1 46 . LYS . 11180 1 47 . TYR . 11180 1 48 . LEU . 11180 1 49 . TYR . 11180 1 50 . VAL . 11180 1 51 . TYR . 11180 1 52 . GLY . 11180 1 53 . ASP . 11180 1 54 . MET . 11180 1 55 . ASP . 11180 1 56 . GLU . 11180 1 57 . ASP . 11180 1 58 . GLY . 11180 1 59 . PHE . 11180 1 60 . TYR . 11180 1 61 . GLU . 11180 1 62 . GLY . 11180 1 63 . GLU . 11180 1 64 . LEU . 11180 1 65 . LEU . 11180 1 66 . ASP . 11180 1 67 . GLY . 11180 1 68 . GLN . 11180 1 69 . ARG . 11180 1 70 . GLY . 11180 1 71 . LEU . 11180 1 72 . VAL . 11180 1 73 . PRO . 11180 1 74 . SER . 11180 1 75 . ASN . 11180 1 76 . PHE . 11180 1 77 . VAL . 11180 1 78 . ASP . 11180 1 79 . PHE . 11180 1 80 . VAL . 11180 1 81 . GLN . 11180 1 82 . ASP . 11180 1 83 . ASN . 11180 1 84 . GLU . 11180 1 85 . SER . 11180 1 86 . ARG . 11180 1 87 . LEU . 11180 1 88 . ALA . 11180 1 89 . SER . 11180 1 90 . THR . 11180 1 91 . SER . 11180 1 92 . GLY . 11180 1 93 . PRO . 11180 1 94 . SER . 11180 1 95 . SER . 11180 1 96 . GLY . 11180 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 11180 1 . SER 2 2 11180 1 . SER 3 3 11180 1 . GLY 4 4 11180 1 . SER 5 5 11180 1 . SER 6 6 11180 1 . GLY 7 7 11180 1 . THR 8 8 11180 1 . SER 9 9 11180 1 . LYS 10 10 11180 1 . GLN 11 11 11180 1 . ARG 12 12 11180 1 . TYR 13 13 11180 1 . SER 14 14 11180 1 . GLY 15 15 11180 1 . LYS 16 16 11180 1 . VAL 17 17 11180 1 . HIS 18 18 11180 1 . LEU 19 19 11180 1 . CYS 20 20 11180 1 . VAL 21 21 11180 1 . ALA 22 22 11180 1 . ARG 23 23 11180 1 . TYR 24 24 11180 1 . SER 25 25 11180 1 . TYR 26 26 11180 1 . ASN 27 27 11180 1 . PRO 28 28 11180 1 . PHE 29 29 11180 1 . ASP 30 30 11180 1 . GLY 31 31 11180 1 . PRO 32 32 11180 1 . ASN 33 33 11180 1 . GLU 34 34 11180 1 . ASN 35 35 11180 1 . PRO 36 36 11180 1 . GLU 37 37 11180 1 . ALA 38 38 11180 1 . GLU 39 39 11180 1 . LEU 40 40 11180 1 . PRO 41 41 11180 1 . LEU 42 42 11180 1 . THR 43 43 11180 1 . ALA 44 44 11180 1 . GLY 45 45 11180 1 . LYS 46 46 11180 1 . TYR 47 47 11180 1 . LEU 48 48 11180 1 . TYR 49 49 11180 1 . VAL 50 50 11180 1 . TYR 51 51 11180 1 . GLY 52 52 11180 1 . ASP 53 53 11180 1 . MET 54 54 11180 1 . ASP 55 55 11180 1 . GLU 56 56 11180 1 . ASP 57 57 11180 1 . GLY 58 58 11180 1 . PHE 59 59 11180 1 . TYR 60 60 11180 1 . GLU 61 61 11180 1 . GLY 62 62 11180 1 . GLU 63 63 11180 1 . LEU 64 64 11180 1 . LEU 65 65 11180 1 . ASP 66 66 11180 1 . GLY 67 67 11180 1 . GLN 68 68 11180 1 . ARG 69 69 11180 1 . GLY 70 70 11180 1 . LEU 71 71 11180 1 . VAL 72 72 11180 1 . PRO 73 73 11180 1 . SER 74 74 11180 1 . ASN 75 75 11180 1 . PHE 76 76 11180 1 . VAL 77 77 11180 1 . ASP 78 78 11180 1 . PHE 79 79 11180 1 . VAL 80 80 11180 1 . GLN 81 81 11180 1 . ASP 82 82 11180 1 . ASN 83 83 11180 1 . GLU 84 84 11180 1 . SER 85 85 11180 1 . ARG 86 86 11180 1 . LEU 87 87 11180 1 . ALA 88 88 11180 1 . SER 89 89 11180 1 . THR 90 90 11180 1 . SER 91 91 11180 1 . GLY 92 92 11180 1 . PRO 93 93 11180 1 . SER 94 94 11180 1 . SER 95 95 11180 1 . GLY 96 96 11180 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 11180 _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 . . . . . . . . . . . . . . . . . . . . . 11180 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 11180 _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 . . P030512-61 . . . . . . 11180 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11180 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.26mM 13C, 15N-labeled {protein;} 20mM {PiNa;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.26 . . mM . . . . 11180 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11180 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11180 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11180 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11180 1 6 H2O . . . . . . solvent 90 . . % . . . . 11180 1 7 D2O . . . . . . solvent 10 . . % . . . . 11180 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 11180 _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 11180 1 pH 6.0 0.05 pH 11180 1 pressure 1 0.001 atm 11180 1 temperature 298 0.1 K 11180 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11180 _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 . . 11180 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11180 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11180 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11180 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11180 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11180 _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.' . . 11180 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11180 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11180 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8992 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11180 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11180 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11180 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11180 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11180 5 'structure solution' 11180 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 11180 _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 11180 _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 . . . 11180 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 11180 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11180 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11180 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 11180 _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 . . . . . . . . . 11180 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11180 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11180 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 11180 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11180 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11180 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 . . 11180 1 2 $NMRPipe . . 11180 1 3 $NMRView . . 11180 1 4 $Kujira . . 11180 1 5 $CYANA . . 11180 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 1 1 GLY HA2 H 1 4.031 0.030 . 1 . . . . 1 GLY HA2 . 11180 1 2 . 1 1 1 1 GLY HA3 H 1 4.031 0.030 . 1 . . . . 1 GLY HA3 . 11180 1 3 . 1 1 1 1 GLY C C 13 174.382 0.300 . 1 . . . . 1 GLY C . 11180 1 4 . 1 1 1 1 GLY CA C 13 45.476 0.300 . 1 . . . . 1 GLY CA . 11180 1 5 . 1 1 2 2 SER H H 1 8.292 0.030 . 1 . . . . 2 SER H . 11180 1 6 . 1 1 2 2 SER HA H 1 4.510 0.030 . 1 . . . . 2 SER HA . 11180 1 7 . 1 1 2 2 SER HB2 H 1 3.914 0.030 . 1 . . . . 2 SER HB2 . 11180 1 8 . 1 1 2 2 SER HB3 H 1 3.914 0.030 . 1 . . . . 2 SER HB3 . 11180 1 9 . 1 1 2 2 SER C C 13 174.854 0.300 . 1 . . . . 2 SER C . 11180 1 10 . 1 1 2 2 SER CA C 13 58.325 0.300 . 1 . . . . 2 SER CA . 11180 1 11 . 1 1 2 2 SER CB C 13 63.923 0.300 . 1 . . . . 2 SER CB . 11180 1 12 . 1 1 2 2 SER N N 15 115.802 0.300 . 1 . . . . 2 SER N . 11180 1 13 . 1 1 3 3 SER H H 1 8.599 0.030 . 1 . . . . 3 SER H . 11180 1 14 . 1 1 3 3 SER HA H 1 4.499 0.030 . 1 . . . . 3 SER HA . 11180 1 15 . 1 1 3 3 SER HB2 H 1 3.914 0.030 . 1 . . . . 3 SER HB2 . 11180 1 16 . 1 1 3 3 SER HB3 H 1 3.914 0.030 . 1 . . . . 3 SER HB3 . 11180 1 17 . 1 1 3 3 SER C C 13 175.103 0.300 . 1 . . . . 3 SER C . 11180 1 18 . 1 1 3 3 SER CA C 13 58.762 0.300 . 1 . . . . 3 SER CA . 11180 1 19 . 1 1 3 3 SER CB C 13 63.825 0.300 . 1 . . . . 3 SER CB . 11180 1 20 . 1 1 3 3 SER N N 15 118.118 0.300 . 1 . . . . 3 SER N . 11180 1 21 . 1 1 4 4 GLY H H 1 8.477 0.030 . 1 . . . . 4 GLY H . 11180 1 22 . 1 1 4 4 GLY HA2 H 1 4.021 0.030 . 1 . . . . 4 GLY HA2 . 11180 1 23 . 1 1 4 4 GLY HA3 H 1 4.021 0.030 . 1 . . . . 4 GLY HA3 . 11180 1 24 . 1 1 4 4 GLY C C 13 174.389 0.300 . 1 . . . . 4 GLY C . 11180 1 25 . 1 1 4 4 GLY CA C 13 45.431 0.300 . 1 . . . . 4 GLY CA . 11180 1 26 . 1 1 4 4 GLY N N 15 111.050 0.300 . 1 . . . . 4 GLY N . 11180 1 27 . 1 1 5 5 SER H H 1 8.291 0.030 . 1 . . . . 5 SER H . 11180 1 28 . 1 1 5 5 SER HA H 1 4.546 0.030 . 1 . . . . 5 SER HA . 11180 1 29 . 1 1 5 5 SER HB2 H 1 3.914 0.030 . 1 . . . . 5 SER HB2 . 11180 1 30 . 1 1 5 5 SER HB3 H 1 3.914 0.030 . 1 . . . . 5 SER HB3 . 11180 1 31 . 1 1 5 5 SER C C 13 174.910 0.300 . 1 . . . . 5 SER C . 11180 1 32 . 1 1 5 5 SER CA C 13 58.395 0.300 . 1 . . . . 5 SER CA . 11180 1 33 . 1 1 5 5 SER CB C 13 63.837 0.300 . 1 . . . . 5 SER CB . 11180 1 34 . 1 1 5 5 SER N N 15 115.815 0.300 . 1 . . . . 5 SER N . 11180 1 35 . 1 1 6 6 SER H H 1 8.459 0.030 . 1 . . . . 6 SER H . 11180 1 36 . 1 1 6 6 SER HA H 1 4.494 0.030 . 1 . . . . 6 SER HA . 11180 1 37 . 1 1 6 6 SER HB2 H 1 3.894 0.030 . 1 . . . . 6 SER HB2 . 11180 1 38 . 1 1 6 6 SER HB3 H 1 3.894 0.030 . 1 . . . . 6 SER HB3 . 11180 1 39 . 1 1 6 6 SER C C 13 175.132 0.300 . 1 . . . . 6 SER C . 11180 1 40 . 1 1 6 6 SER CA C 13 58.721 0.300 . 1 . . . . 6 SER CA . 11180 1 41 . 1 1 6 6 SER CB C 13 63.802 0.300 . 1 . . . . 6 SER CB . 11180 1 42 . 1 1 6 6 SER N N 15 117.929 0.300 . 1 . . . . 6 SER N . 11180 1 43 . 1 1 7 7 GLY H H 1 8.455 0.030 . 1 . . . . 7 GLY H . 11180 1 44 . 1 1 7 7 GLY HA2 H 1 4.029 0.030 . 1 . . . . 7 GLY HA2 . 11180 1 45 . 1 1 7 7 GLY HA3 H 1 4.029 0.030 . 1 . . . . 7 GLY HA3 . 11180 1 46 . 1 1 7 7 GLY C C 13 174.497 0.300 . 1 . . . . 7 GLY C . 11180 1 47 . 1 1 7 7 GLY CA C 13 45.536 0.300 . 1 . . . . 7 GLY CA . 11180 1 48 . 1 1 7 7 GLY N N 15 110.796 0.300 . 1 . . . . 7 GLY N . 11180 1 49 . 1 1 8 8 THR H H 1 8.082 0.030 . 1 . . . . 8 THR H . 11180 1 50 . 1 1 8 8 THR HA H 1 4.394 0.030 . 1 . . . . 8 THR HA . 11180 1 51 . 1 1 8 8 THR HB H 1 4.265 0.030 . 1 . . . . 8 THR HB . 11180 1 52 . 1 1 8 8 THR HG21 H 1 1.194 0.030 . 1 . . . . 8 THR HG2 . 11180 1 53 . 1 1 8 8 THR HG22 H 1 1.194 0.030 . 1 . . . . 8 THR HG2 . 11180 1 54 . 1 1 8 8 THR HG23 H 1 1.194 0.030 . 1 . . . . 8 THR HG2 . 11180 1 55 . 1 1 8 8 THR C C 13 174.827 0.300 . 1 . . . . 8 THR C . 11180 1 56 . 1 1 8 8 THR CA C 13 61.816 0.300 . 1 . . . . 8 THR CA . 11180 1 57 . 1 1 8 8 THR CB C 13 69.850 0.300 . 1 . . . . 8 THR CB . 11180 1 58 . 1 1 8 8 THR CG2 C 13 21.562 0.300 . 1 . . . . 8 THR CG2 . 11180 1 59 . 1 1 8 8 THR N N 15 113.308 0.300 . 1 . . . . 8 THR N . 11180 1 60 . 1 1 9 9 SER H H 1 8.352 0.030 . 1 . . . . 9 SER H . 11180 1 61 . 1 1 9 9 SER HA H 1 4.454 0.030 . 1 . . . . 9 SER HA . 11180 1 62 . 1 1 9 9 SER HB2 H 1 3.880 0.030 . 1 . . . . 9 SER HB2 . 11180 1 63 . 1 1 9 9 SER HB3 H 1 3.880 0.030 . 1 . . . . 9 SER HB3 . 11180 1 64 . 1 1 9 9 SER C C 13 174.490 0.300 . 1 . . . . 9 SER C . 11180 1 65 . 1 1 9 9 SER CA C 13 58.522 0.300 . 1 . . . . 9 SER CA . 11180 1 66 . 1 1 9 9 SER CB C 13 63.764 0.300 . 1 . . . . 9 SER CB . 11180 1 67 . 1 1 9 9 SER N N 15 118.358 0.300 . 1 . . . . 9 SER N . 11180 1 68 . 1 1 10 10 LYS H H 1 8.325 0.030 . 1 . . . . 10 LYS H . 11180 1 69 . 1 1 10 10 LYS HA H 1 4.303 0.030 . 1 . . . . 10 LYS HA . 11180 1 70 . 1 1 10 10 LYS HB2 H 1 1.734 0.030 . 2 . . . . 10 LYS HB2 . 11180 1 71 . 1 1 10 10 LYS HB3 H 1 1.811 0.030 . 2 . . . . 10 LYS HB3 . 11180 1 72 . 1 1 10 10 LYS HD2 H 1 1.664 0.030 . 1 . . . . 10 LYS HD2 . 11180 1 73 . 1 1 10 10 LYS HD3 H 1 1.664 0.030 . 1 . . . . 10 LYS HD3 . 11180 1 74 . 1 1 10 10 LYS HE2 H 1 2.983 0.030 . 1 . . . . 10 LYS HE2 . 11180 1 75 . 1 1 10 10 LYS HE3 H 1 2.983 0.030 . 1 . . . . 10 LYS HE3 . 11180 1 76 . 1 1 10 10 LYS HG2 H 1 1.381 0.030 . 2 . . . . 10 LYS HG2 . 11180 1 77 . 1 1 10 10 LYS HG3 H 1 1.407 0.030 . 2 . . . . 10 LYS HG3 . 11180 1 78 . 1 1 10 10 LYS C C 13 176.382 0.300 . 1 . . . . 10 LYS C . 11180 1 79 . 1 1 10 10 LYS CA C 13 56.388 0.300 . 1 . . . . 10 LYS CA . 11180 1 80 . 1 1 10 10 LYS CB C 13 33.135 0.300 . 1 . . . . 10 LYS CB . 11180 1 81 . 1 1 10 10 LYS CD C 13 29.160 0.300 . 1 . . . . 10 LYS CD . 11180 1 82 . 1 1 10 10 LYS CE C 13 42.150 0.300 . 1 . . . . 10 LYS CE . 11180 1 83 . 1 1 10 10 LYS CG C 13 24.730 0.300 . 1 . . . . 10 LYS CG . 11180 1 84 . 1 1 10 10 LYS N N 15 123.316 0.300 . 1 . . . . 10 LYS N . 11180 1 85 . 1 1 11 11 GLN H H 1 8.434 0.030 . 1 . . . . 11 GLN H . 11180 1 86 . 1 1 11 11 GLN HA H 1 4.330 0.030 . 1 . . . . 11 GLN HA . 11180 1 87 . 1 1 11 11 GLN HB2 H 1 1.972 0.030 . 2 . . . . 11 GLN HB2 . 11180 1 88 . 1 1 11 11 GLN HB3 H 1 2.039 0.030 . 2 . . . . 11 GLN HB3 . 11180 1 89 . 1 1 11 11 GLN HE21 H 1 6.887 0.030 . 2 . . . . 11 GLN HE21 . 11180 1 90 . 1 1 11 11 GLN HE22 H 1 7.577 0.030 . 2 . . . . 11 GLN HE22 . 11180 1 91 . 1 1 11 11 GLN HG2 H 1 2.390 0.030 . 1 . . . . 11 GLN HG2 . 11180 1 92 . 1 1 11 11 GLN HG3 H 1 2.390 0.030 . 1 . . . . 11 GLN HG3 . 11180 1 93 . 1 1 11 11 GLN C C 13 176.392 0.300 . 1 . . . . 11 GLN C . 11180 1 94 . 1 1 11 11 GLN CA C 13 55.721 0.300 . 1 . . . . 11 GLN CA . 11180 1 95 . 1 1 11 11 GLN CB C 13 29.240 0.300 . 1 . . . . 11 GLN CB . 11180 1 96 . 1 1 11 11 GLN CG C 13 33.904 0.300 . 1 . . . . 11 GLN CG . 11180 1 97 . 1 1 11 11 GLN N N 15 121.958 0.300 . 1 . . . . 11 GLN N . 11180 1 98 . 1 1 11 11 GLN NE2 N 15 112.559 0.300 . 1 . . . . 11 GLN NE2 . 11180 1 99 . 1 1 12 12 ARG H H 1 8.713 0.030 . 1 . . . . 12 ARG H . 11180 1 100 . 1 1 12 12 ARG HA H 1 4.317 0.030 . 1 . . . . 12 ARG HA . 11180 1 101 . 1 1 12 12 ARG HB2 H 1 1.706 0.030 . 2 . . . . 12 ARG HB2 . 11180 1 102 . 1 1 12 12 ARG HB3 H 1 1.776 0.030 . 2 . . . . 12 ARG HB3 . 11180 1 103 . 1 1 12 12 ARG HD2 H 1 3.138 0.030 . 1 . . . . 12 ARG HD2 . 11180 1 104 . 1 1 12 12 ARG HD3 H 1 3.138 0.030 . 1 . . . . 12 ARG HD3 . 11180 1 105 . 1 1 12 12 ARG HE H 1 7.336 0.030 . 1 . . . . 12 ARG HE . 11180 1 106 . 1 1 12 12 ARG HG2 H 1 1.549 0.030 . 2 . . . . 12 ARG HG2 . 11180 1 107 . 1 1 12 12 ARG HG3 H 1 1.644 0.030 . 2 . . . . 12 ARG HG3 . 11180 1 108 . 1 1 12 12 ARG C C 13 176.231 0.300 . 1 . . . . 12 ARG C . 11180 1 109 . 1 1 12 12 ARG CA C 13 56.919 0.300 . 1 . . . . 12 ARG CA . 11180 1 110 . 1 1 12 12 ARG CB C 13 31.054 0.300 . 1 . . . . 12 ARG CB . 11180 1 111 . 1 1 12 12 ARG CD C 13 43.487 0.300 . 1 . . . . 12 ARG CD . 11180 1 112 . 1 1 12 12 ARG CG C 13 27.498 0.300 . 1 . . . . 12 ARG CG . 11180 1 113 . 1 1 12 12 ARG N N 15 124.081 0.300 . 1 . . . . 12 ARG N . 11180 1 114 . 1 1 12 12 ARG NE N 15 84.804 0.300 . 1 . . . . 12 ARG NE . 11180 1 115 . 1 1 13 13 TYR H H 1 9.213 0.030 . 1 . . . . 13 TYR H . 11180 1 116 . 1 1 13 13 TYR HA H 1 3.437 0.030 . 1 . . . . 13 TYR HA . 11180 1 117 . 1 1 13 13 TYR HB2 H 1 2.573 0.030 . 2 . . . . 13 TYR HB2 . 11180 1 118 . 1 1 13 13 TYR HB3 H 1 2.656 0.030 . 2 . . . . 13 TYR HB3 . 11180 1 119 . 1 1 13 13 TYR HD1 H 1 6.286 0.030 . 1 . . . . 13 TYR HD1 . 11180 1 120 . 1 1 13 13 TYR HD2 H 1 6.286 0.030 . 1 . . . . 13 TYR HD2 . 11180 1 121 . 1 1 13 13 TYR HE1 H 1 6.601 0.030 . 1 . . . . 13 TYR HE1 . 11180 1 122 . 1 1 13 13 TYR HE2 H 1 6.601 0.030 . 1 . . . . 13 TYR HE2 . 11180 1 123 . 1 1 13 13 TYR C C 13 174.602 0.300 . 1 . . . . 13 TYR C . 11180 1 124 . 1 1 13 13 TYR CA C 13 60.145 0.300 . 1 . . . . 13 TYR CA . 11180 1 125 . 1 1 13 13 TYR CB C 13 35.700 0.300 . 1 . . . . 13 TYR CB . 11180 1 126 . 1 1 13 13 TYR CD1 C 13 132.899 0.300 . 1 . . . . 13 TYR CD1 . 11180 1 127 . 1 1 13 13 TYR CD2 C 13 132.899 0.300 . 1 . . . . 13 TYR CD2 . 11180 1 128 . 1 1 13 13 TYR CE1 C 13 117.463 0.300 . 1 . . . . 13 TYR CE1 . 11180 1 129 . 1 1 13 13 TYR CE2 C 13 117.463 0.300 . 1 . . . . 13 TYR CE2 . 11180 1 130 . 1 1 13 13 TYR N N 15 118.764 0.300 . 1 . . . . 13 TYR N . 11180 1 131 . 1 1 14 14 SER H H 1 7.940 0.030 . 1 . . . . 14 SER H . 11180 1 132 . 1 1 14 14 SER HA H 1 4.621 0.030 . 1 . . . . 14 SER HA . 11180 1 133 . 1 1 14 14 SER HB2 H 1 3.668 0.030 . 2 . . . . 14 SER HB2 . 11180 1 134 . 1 1 14 14 SER HB3 H 1 3.891 0.030 . 2 . . . . 14 SER HB3 . 11180 1 135 . 1 1 14 14 SER C C 13 174.785 0.300 . 1 . . . . 14 SER C . 11180 1 136 . 1 1 14 14 SER CA C 13 57.900 0.300 . 1 . . . . 14 SER CA . 11180 1 137 . 1 1 14 14 SER CB C 13 65.010 0.300 . 1 . . . . 14 SER CB . 11180 1 138 . 1 1 14 14 SER N N 15 111.789 0.300 . 1 . . . . 14 SER N . 11180 1 139 . 1 1 15 15 GLY H H 1 8.210 0.030 . 1 . . . . 15 GLY H . 11180 1 140 . 1 1 15 15 GLY HA2 H 1 3.747 0.030 . 2 . . . . 15 GLY HA2 . 11180 1 141 . 1 1 15 15 GLY HA3 H 1 4.074 0.030 . 2 . . . . 15 GLY HA3 . 11180 1 142 . 1 1 15 15 GLY C C 13 172.536 0.300 . 1 . . . . 15 GLY C . 11180 1 143 . 1 1 15 15 GLY CA C 13 44.257 0.300 . 1 . . . . 15 GLY CA . 11180 1 144 . 1 1 15 15 GLY N N 15 109.782 0.300 . 1 . . . . 15 GLY N . 11180 1 145 . 1 1 16 16 LYS H H 1 8.267 0.030 . 1 . . . . 16 LYS H . 11180 1 146 . 1 1 16 16 LYS HA H 1 4.044 0.030 . 1 . . . . 16 LYS HA . 11180 1 147 . 1 1 16 16 LYS HB2 H 1 1.583 0.030 . 2 . . . . 16 LYS HB2 . 11180 1 148 . 1 1 16 16 LYS HB3 H 1 1.673 0.030 . 2 . . . . 16 LYS HB3 . 11180 1 149 . 1 1 16 16 LYS HD2 H 1 1.636 0.030 . 1 . . . . 16 LYS HD2 . 11180 1 150 . 1 1 16 16 LYS HD3 H 1 1.636 0.030 . 1 . . . . 16 LYS HD3 . 11180 1 151 . 1 1 16 16 LYS HE2 H 1 2.942 0.030 . 1 . . . . 16 LYS HE2 . 11180 1 152 . 1 1 16 16 LYS HE3 H 1 2.942 0.030 . 1 . . . . 16 LYS HE3 . 11180 1 153 . 1 1 16 16 LYS HG2 H 1 1.205 0.030 . 2 . . . . 16 LYS HG2 . 11180 1 154 . 1 1 16 16 LYS HG3 H 1 1.299 0.030 . 2 . . . . 16 LYS HG3 . 11180 1 155 . 1 1 16 16 LYS C C 13 175.860 0.300 . 1 . . . . 16 LYS C . 11180 1 156 . 1 1 16 16 LYS CA C 13 56.527 0.300 . 1 . . . . 16 LYS CA . 11180 1 157 . 1 1 16 16 LYS CB C 13 33.051 0.300 . 1 . . . . 16 LYS CB . 11180 1 158 . 1 1 16 16 LYS CD C 13 29.157 0.300 . 1 . . . . 16 LYS CD . 11180 1 159 . 1 1 16 16 LYS CE C 13 42.220 0.300 . 1 . . . . 16 LYS CE . 11180 1 160 . 1 1 16 16 LYS CG C 13 24.782 0.300 . 1 . . . . 16 LYS CG . 11180 1 161 . 1 1 16 16 LYS N N 15 119.304 0.300 . 1 . . . . 16 LYS N . 11180 1 162 . 1 1 17 17 VAL H H 1 8.033 0.030 . 1 . . . . 17 VAL H . 11180 1 163 . 1 1 17 17 VAL HA H 1 4.105 0.030 . 1 . . . . 17 VAL HA . 11180 1 164 . 1 1 17 17 VAL HB H 1 1.575 0.030 . 1 . . . . 17 VAL HB . 11180 1 165 . 1 1 17 17 VAL HG11 H 1 0.350 0.030 . 1 . . . . 17 VAL HG1 . 11180 1 166 . 1 1 17 17 VAL HG12 H 1 0.350 0.030 . 1 . . . . 17 VAL HG1 . 11180 1 167 . 1 1 17 17 VAL HG13 H 1 0.350 0.030 . 1 . . . . 17 VAL HG1 . 11180 1 168 . 1 1 17 17 VAL HG21 H 1 0.313 0.030 . 1 . . . . 17 VAL HG2 . 11180 1 169 . 1 1 17 17 VAL HG22 H 1 0.313 0.030 . 1 . . . . 17 VAL HG2 . 11180 1 170 . 1 1 17 17 VAL HG23 H 1 0.313 0.030 . 1 . . . . 17 VAL HG2 . 11180 1 171 . 1 1 17 17 VAL C C 13 175.415 0.300 . 1 . . . . 17 VAL C . 11180 1 172 . 1 1 17 17 VAL CA C 13 62.029 0.300 . 1 . . . . 17 VAL CA . 11180 1 173 . 1 1 17 17 VAL CB C 13 32.607 0.300 . 1 . . . . 17 VAL CB . 11180 1 174 . 1 1 17 17 VAL CG1 C 13 20.942 0.300 . 2 . . . . 17 VAL CG1 . 11180 1 175 . 1 1 17 17 VAL CG2 C 13 21.776 0.300 . 2 . . . . 17 VAL CG2 . 11180 1 176 . 1 1 17 17 VAL N N 15 124.200 0.300 . 1 . . . . 17 VAL N . 11180 1 177 . 1 1 18 18 HIS H H 1 9.071 0.030 . 1 . . . . 18 HIS H . 11180 1 178 . 1 1 18 18 HIS HA H 1 4.890 0.030 . 1 . . . . 18 HIS HA . 11180 1 179 . 1 1 18 18 HIS HB2 H 1 2.787 0.030 . 1 . . . . 18 HIS HB2 . 11180 1 180 . 1 1 18 18 HIS HB3 H 1 2.787 0.030 . 1 . . . . 18 HIS HB3 . 11180 1 181 . 1 1 18 18 HIS HD2 H 1 7.272 0.030 . 1 . . . . 18 HIS HD2 . 11180 1 182 . 1 1 18 18 HIS HE1 H 1 8.446 0.030 . 1 . . . . 18 HIS HE1 . 11180 1 183 . 1 1 18 18 HIS C C 13 173.769 0.300 . 1 . . . . 18 HIS C . 11180 1 184 . 1 1 18 18 HIS CA C 13 54.265 0.300 . 1 . . . . 18 HIS CA . 11180 1 185 . 1 1 18 18 HIS CB C 13 31.262 0.300 . 1 . . . . 18 HIS CB . 11180 1 186 . 1 1 18 18 HIS CD2 C 13 122.000 0.300 . 1 . . . . 18 HIS CD2 . 11180 1 187 . 1 1 18 18 HIS CE1 C 13 136.120 0.300 . 1 . . . . 18 HIS CE1 . 11180 1 188 . 1 1 18 18 HIS N N 15 123.489 0.300 . 1 . . . . 18 HIS N . 11180 1 189 . 1 1 19 19 LEU H H 1 8.896 0.030 . 1 . . . . 19 LEU H . 11180 1 190 . 1 1 19 19 LEU HA H 1 4.639 0.030 . 1 . . . . 19 LEU HA . 11180 1 191 . 1 1 19 19 LEU HB2 H 1 1.454 0.030 . 2 . . . . 19 LEU HB2 . 11180 1 192 . 1 1 19 19 LEU HB3 H 1 1.860 0.030 . 2 . . . . 19 LEU HB3 . 11180 1 193 . 1 1 19 19 LEU HD11 H 1 0.641 0.030 . 1 . . . . 19 LEU HD1 . 11180 1 194 . 1 1 19 19 LEU HD12 H 1 0.641 0.030 . 1 . . . . 19 LEU HD1 . 11180 1 195 . 1 1 19 19 LEU HD13 H 1 0.641 0.030 . 1 . . . . 19 LEU HD1 . 11180 1 196 . 1 1 19 19 LEU HD21 H 1 0.628 0.030 . 1 . . . . 19 LEU HD2 . 11180 1 197 . 1 1 19 19 LEU HD22 H 1 0.628 0.030 . 1 . . . . 19 LEU HD2 . 11180 1 198 . 1 1 19 19 LEU HD23 H 1 0.628 0.030 . 1 . . . . 19 LEU HD2 . 11180 1 199 . 1 1 19 19 LEU HG H 1 1.423 0.030 . 1 . . . . 19 LEU HG . 11180 1 200 . 1 1 19 19 LEU C C 13 175.976 0.300 . 1 . . . . 19 LEU C . 11180 1 201 . 1 1 19 19 LEU CA C 13 55.734 0.300 . 1 . . . . 19 LEU CA . 11180 1 202 . 1 1 19 19 LEU CB C 13 42.724 0.300 . 1 . . . . 19 LEU CB . 11180 1 203 . 1 1 19 19 LEU CD1 C 13 22.651 0.300 . 2 . . . . 19 LEU CD1 . 11180 1 204 . 1 1 19 19 LEU CD2 C 13 26.130 0.300 . 2 . . . . 19 LEU CD2 . 11180 1 205 . 1 1 19 19 LEU CG C 13 27.058 0.300 . 1 . . . . 19 LEU CG . 11180 1 206 . 1 1 19 19 LEU N N 15 126.558 0.300 . 1 . . . . 19 LEU N . 11180 1 207 . 1 1 20 20 CYS H H 1 9.336 0.030 . 1 . . . . 20 CYS H . 11180 1 208 . 1 1 20 20 CYS HA H 1 5.312 0.030 . 1 . . . . 20 CYS HA . 11180 1 209 . 1 1 20 20 CYS HB2 H 1 2.246 0.030 . 2 . . . . 20 CYS HB2 . 11180 1 210 . 1 1 20 20 CYS HB3 H 1 2.453 0.030 . 2 . . . . 20 CYS HB3 . 11180 1 211 . 1 1 20 20 CYS C C 13 171.711 0.300 . 1 . . . . 20 CYS C . 11180 1 212 . 1 1 20 20 CYS CA C 13 57.660 0.300 . 1 . . . . 20 CYS CA . 11180 1 213 . 1 1 20 20 CYS CB C 13 32.863 0.300 . 1 . . . . 20 CYS CB . 11180 1 214 . 1 1 20 20 CYS N N 15 124.746 0.300 . 1 . . . . 20 CYS N . 11180 1 215 . 1 1 21 21 VAL H H 1 8.703 0.030 . 1 . . . . 21 VAL H . 11180 1 216 . 1 1 21 21 VAL HA H 1 4.549 0.030 . 1 . . . . 21 VAL HA . 11180 1 217 . 1 1 21 21 VAL HB H 1 1.482 0.030 . 1 . . . . 21 VAL HB . 11180 1 218 . 1 1 21 21 VAL HG11 H 1 0.573 0.030 . 1 . . . . 21 VAL HG1 . 11180 1 219 . 1 1 21 21 VAL HG12 H 1 0.573 0.030 . 1 . . . . 21 VAL HG1 . 11180 1 220 . 1 1 21 21 VAL HG13 H 1 0.573 0.030 . 1 . . . . 21 VAL HG1 . 11180 1 221 . 1 1 21 21 VAL HG21 H 1 0.426 0.030 . 1 . . . . 21 VAL HG2 . 11180 1 222 . 1 1 21 21 VAL HG22 H 1 0.426 0.030 . 1 . . . . 21 VAL HG2 . 11180 1 223 . 1 1 21 21 VAL HG23 H 1 0.426 0.030 . 1 . . . . 21 VAL HG2 . 11180 1 224 . 1 1 21 21 VAL C C 13 174.885 0.300 . 1 . . . . 21 VAL C . 11180 1 225 . 1 1 21 21 VAL CA C 13 59.259 0.300 . 1 . . . . 21 VAL CA . 11180 1 226 . 1 1 21 21 VAL CB C 13 35.353 0.300 . 1 . . . . 21 VAL CB . 11180 1 227 . 1 1 21 21 VAL CG1 C 13 20.027 0.300 . 2 . . . . 21 VAL CG1 . 11180 1 228 . 1 1 21 21 VAL CG2 C 13 21.240 0.300 . 2 . . . . 21 VAL CG2 . 11180 1 229 . 1 1 21 21 VAL N N 15 116.831 0.300 . 1 . . . . 21 VAL N . 11180 1 230 . 1 1 22 22 ALA H H 1 8.141 0.030 . 1 . . . . 22 ALA H . 11180 1 231 . 1 1 22 22 ALA HA H 1 4.579 0.030 . 1 . . . . 22 ALA HA . 11180 1 232 . 1 1 22 22 ALA HB1 H 1 1.476 0.030 . 1 . . . . 22 ALA HB . 11180 1 233 . 1 1 22 22 ALA HB2 H 1 1.476 0.030 . 1 . . . . 22 ALA HB . 11180 1 234 . 1 1 22 22 ALA HB3 H 1 1.476 0.030 . 1 . . . . 22 ALA HB . 11180 1 235 . 1 1 22 22 ALA C C 13 178.195 0.300 . 1 . . . . 22 ALA C . 11180 1 236 . 1 1 22 22 ALA CA C 13 52.026 0.300 . 1 . . . . 22 ALA CA . 11180 1 237 . 1 1 22 22 ALA CB C 13 18.893 0.300 . 1 . . . . 22 ALA CB . 11180 1 238 . 1 1 22 22 ALA N N 15 127.884 0.300 . 1 . . . . 22 ALA N . 11180 1 239 . 1 1 23 23 ARG H H 1 9.156 0.030 . 1 . . . . 23 ARG H . 11180 1 240 . 1 1 23 23 ARG HA H 1 3.784 0.030 . 1 . . . . 23 ARG HA . 11180 1 241 . 1 1 23 23 ARG HB2 H 1 0.942 0.030 . 2 . . . . 23 ARG HB2 . 11180 1 242 . 1 1 23 23 ARG HB3 H 1 1.026 0.030 . 2 . . . . 23 ARG HB3 . 11180 1 243 . 1 1 23 23 ARG HD2 H 1 2.873 0.030 . 1 . . . . 23 ARG HD2 . 11180 1 244 . 1 1 23 23 ARG HD3 H 1 2.873 0.030 . 1 . . . . 23 ARG HD3 . 11180 1 245 . 1 1 23 23 ARG HE H 1 7.125 0.030 . 1 . . . . 23 ARG HE . 11180 1 246 . 1 1 23 23 ARG HG2 H 1 0.999 0.030 . 2 . . . . 23 ARG HG2 . 11180 1 247 . 1 1 23 23 ARG HG3 H 1 1.128 0.030 . 2 . . . . 23 ARG HG3 . 11180 1 248 . 1 1 23 23 ARG C C 13 174.938 0.300 . 1 . . . . 23 ARG C . 11180 1 249 . 1 1 23 23 ARG CA C 13 57.600 0.300 . 1 . . . . 23 ARG CA . 11180 1 250 . 1 1 23 23 ARG CB C 13 32.220 0.300 . 1 . . . . 23 ARG CB . 11180 1 251 . 1 1 23 23 ARG CD C 13 43.406 0.300 . 1 . . . . 23 ARG CD . 11180 1 252 . 1 1 23 23 ARG CG C 13 26.985 0.300 . 1 . . . . 23 ARG CG . 11180 1 253 . 1 1 23 23 ARG N N 15 126.537 0.300 . 1 . . . . 23 ARG N . 11180 1 254 . 1 1 23 23 ARG NE N 15 83.878 0.300 . 1 . . . . 23 ARG NE . 11180 1 255 . 1 1 24 24 TYR H H 1 6.928 0.030 . 1 . . . . 24 TYR H . 11180 1 256 . 1 1 24 24 TYR HA H 1 4.833 0.030 . 1 . . . . 24 TYR HA . 11180 1 257 . 1 1 24 24 TYR HB2 H 1 2.300 0.030 . 2 . . . . 24 TYR HB2 . 11180 1 258 . 1 1 24 24 TYR HB3 H 1 3.265 0.030 . 2 . . . . 24 TYR HB3 . 11180 1 259 . 1 1 24 24 TYR HD1 H 1 6.684 0.030 . 1 . . . . 24 TYR HD1 . 11180 1 260 . 1 1 24 24 TYR HD2 H 1 6.684 0.030 . 1 . . . . 24 TYR HD2 . 11180 1 261 . 1 1 24 24 TYR HE1 H 1 6.686 0.030 . 1 . . . . 24 TYR HE1 . 11180 1 262 . 1 1 24 24 TYR HE2 H 1 6.686 0.030 . 1 . . . . 24 TYR HE2 . 11180 1 263 . 1 1 24 24 TYR C C 13 174.228 0.300 . 1 . . . . 24 TYR C . 11180 1 264 . 1 1 24 24 TYR CA C 13 54.270 0.300 . 1 . . . . 24 TYR CA . 11180 1 265 . 1 1 24 24 TYR CB C 13 42.600 0.300 . 1 . . . . 24 TYR CB . 11180 1 266 . 1 1 24 24 TYR CD1 C 13 133.506 0.300 . 1 . . . . 24 TYR CD1 . 11180 1 267 . 1 1 24 24 TYR CD2 C 13 133.506 0.300 . 1 . . . . 24 TYR CD2 . 11180 1 268 . 1 1 24 24 TYR CE1 C 13 117.745 0.300 . 1 . . . . 24 TYR CE1 . 11180 1 269 . 1 1 24 24 TYR CE2 C 13 117.745 0.300 . 1 . . . . 24 TYR CE2 . 11180 1 270 . 1 1 24 24 TYR N N 15 111.185 0.300 . 1 . . . . 24 TYR N . 11180 1 271 . 1 1 25 25 SER H H 1 8.635 0.030 . 1 . . . . 25 SER H . 11180 1 272 . 1 1 25 25 SER HA H 1 4.534 0.030 . 1 . . . . 25 SER HA . 11180 1 273 . 1 1 25 25 SER HB2 H 1 3.893 0.030 . 2 . . . . 25 SER HB2 . 11180 1 274 . 1 1 25 25 SER HB3 H 1 4.127 0.030 . 2 . . . . 25 SER HB3 . 11180 1 275 . 1 1 25 25 SER C C 13 173.046 0.300 . 1 . . . . 25 SER C . 11180 1 276 . 1 1 25 25 SER CA C 13 58.312 0.300 . 1 . . . . 25 SER CA . 11180 1 277 . 1 1 25 25 SER CB C 13 63.444 0.300 . 1 . . . . 25 SER CB . 11180 1 278 . 1 1 25 25 SER N N 15 115.493 0.300 . 1 . . . . 25 SER N . 11180 1 279 . 1 1 26 26 TYR H H 1 8.836 0.030 . 1 . . . . 26 TYR H . 11180 1 280 . 1 1 26 26 TYR HA H 1 4.790 0.030 . 1 . . . . 26 TYR HA . 11180 1 281 . 1 1 26 26 TYR HB2 H 1 2.497 0.030 . 2 . . . . 26 TYR HB2 . 11180 1 282 . 1 1 26 26 TYR HB3 H 1 2.827 0.030 . 2 . . . . 26 TYR HB3 . 11180 1 283 . 1 1 26 26 TYR HD1 H 1 7.038 0.030 . 1 . . . . 26 TYR HD1 . 11180 1 284 . 1 1 26 26 TYR HD2 H 1 7.038 0.030 . 1 . . . . 26 TYR HD2 . 11180 1 285 . 1 1 26 26 TYR HE1 H 1 6.828 0.030 . 1 . . . . 26 TYR HE1 . 11180 1 286 . 1 1 26 26 TYR HE2 H 1 6.828 0.030 . 1 . . . . 26 TYR HE2 . 11180 1 287 . 1 1 26 26 TYR C C 13 173.497 0.300 . 1 . . . . 26 TYR C . 11180 1 288 . 1 1 26 26 TYR CA C 13 57.287 0.300 . 1 . . . . 26 TYR CA . 11180 1 289 . 1 1 26 26 TYR CB C 13 42.760 0.300 . 1 . . . . 26 TYR CB . 11180 1 290 . 1 1 26 26 TYR CD1 C 13 132.791 0.300 . 1 . . . . 26 TYR CD1 . 11180 1 291 . 1 1 26 26 TYR CD2 C 13 132.791 0.300 . 1 . . . . 26 TYR CD2 . 11180 1 292 . 1 1 26 26 TYR CE1 C 13 117.882 0.300 . 1 . . . . 26 TYR CE1 . 11180 1 293 . 1 1 26 26 TYR CE2 C 13 117.882 0.300 . 1 . . . . 26 TYR CE2 . 11180 1 294 . 1 1 26 26 TYR N N 15 123.424 0.300 . 1 . . . . 26 TYR N . 11180 1 295 . 1 1 27 27 ASN H H 1 8.612 0.030 . 1 . . . . 27 ASN H . 11180 1 296 . 1 1 27 27 ASN HA H 1 5.053 0.030 . 1 . . . . 27 ASN HA . 11180 1 297 . 1 1 27 27 ASN HB2 H 1 2.687 0.030 . 2 . . . . 27 ASN HB2 . 11180 1 298 . 1 1 27 27 ASN HB3 H 1 3.032 0.030 . 2 . . . . 27 ASN HB3 . 11180 1 299 . 1 1 27 27 ASN HD21 H 1 7.109 0.030 . 2 . . . . 27 ASN HD21 . 11180 1 300 . 1 1 27 27 ASN HD22 H 1 7.493 0.030 . 2 . . . . 27 ASN HD22 . 11180 1 301 . 1 1 27 27 ASN C C 13 173.548 0.300 . 1 . . . . 27 ASN C . 11180 1 302 . 1 1 27 27 ASN CA C 13 48.511 0.300 . 1 . . . . 27 ASN CA . 11180 1 303 . 1 1 27 27 ASN CB C 13 39.300 0.300 . 1 . . . . 27 ASN CB . 11180 1 304 . 1 1 27 27 ASN N N 15 126.985 0.300 . 1 . . . . 27 ASN N . 11180 1 305 . 1 1 27 27 ASN ND2 N 15 112.115 0.300 . 1 . . . . 27 ASN ND2 . 11180 1 306 . 1 1 28 28 PRO HA H 1 3.656 0.030 . 1 . . . . 28 PRO HA . 11180 1 307 . 1 1 28 28 PRO HB2 H 1 1.347 0.030 . 2 . . . . 28 PRO HB2 . 11180 1 308 . 1 1 28 28 PRO HB3 H 1 2.276 0.030 . 2 . . . . 28 PRO HB3 . 11180 1 309 . 1 1 28 28 PRO HD2 H 1 3.333 0.030 . 2 . . . . 28 PRO HD2 . 11180 1 310 . 1 1 28 28 PRO HD3 H 1 3.650 0.030 . 2 . . . . 28 PRO HD3 . 11180 1 311 . 1 1 28 28 PRO HG2 H 1 1.545 0.030 . 2 . . . . 28 PRO HG2 . 11180 1 312 . 1 1 28 28 PRO HG3 H 1 1.670 0.030 . 2 . . . . 28 PRO HG3 . 11180 1 313 . 1 1 28 28 PRO C C 13 177.233 0.300 . 1 . . . . 28 PRO C . 11180 1 314 . 1 1 28 28 PRO CA C 13 63.714 0.300 . 1 . . . . 28 PRO CA . 11180 1 315 . 1 1 28 28 PRO CB C 13 32.828 0.300 . 1 . . . . 28 PRO CB . 11180 1 316 . 1 1 28 28 PRO CD C 13 50.431 0.300 . 1 . . . . 28 PRO CD . 11180 1 317 . 1 1 28 28 PRO CG C 13 26.894 0.300 . 1 . . . . 28 PRO CG . 11180 1 318 . 1 1 29 29 PHE H H 1 7.406 0.030 . 1 . . . . 29 PHE H . 11180 1 319 . 1 1 29 29 PHE HA H 1 4.163 0.030 . 1 . . . . 29 PHE HA . 11180 1 320 . 1 1 29 29 PHE HB2 H 1 2.850 0.030 . 2 . . . . 29 PHE HB2 . 11180 1 321 . 1 1 29 29 PHE HB3 H 1 3.238 0.030 . 2 . . . . 29 PHE HB3 . 11180 1 322 . 1 1 29 29 PHE HD1 H 1 7.355 0.030 . 1 . . . . 29 PHE HD1 . 11180 1 323 . 1 1 29 29 PHE HD2 H 1 7.355 0.030 . 1 . . . . 29 PHE HD2 . 11180 1 324 . 1 1 29 29 PHE HE1 H 1 7.356 0.030 . 1 . . . . 29 PHE HE1 . 11180 1 325 . 1 1 29 29 PHE HE2 H 1 7.356 0.030 . 1 . . . . 29 PHE HE2 . 11180 1 326 . 1 1 29 29 PHE HZ H 1 7.249 0.030 . 1 . . . . 29 PHE HZ . 11180 1 327 . 1 1 29 29 PHE C C 13 176.038 0.300 . 1 . . . . 29 PHE C . 11180 1 328 . 1 1 29 29 PHE CA C 13 59.859 0.300 . 1 . . . . 29 PHE CA . 11180 1 329 . 1 1 29 29 PHE CB C 13 38.101 0.300 . 1 . . . . 29 PHE CB . 11180 1 330 . 1 1 29 29 PHE CD1 C 13 131.533 0.300 . 1 . . . . 29 PHE CD1 . 11180 1 331 . 1 1 29 29 PHE CD2 C 13 131.533 0.300 . 1 . . . . 29 PHE CD2 . 11180 1 332 . 1 1 29 29 PHE CE1 C 13 131.531 0.300 . 1 . . . . 29 PHE CE1 . 11180 1 333 . 1 1 29 29 PHE CE2 C 13 131.531 0.300 . 1 . . . . 29 PHE CE2 . 11180 1 334 . 1 1 29 29 PHE CZ C 13 129.409 0.300 . 1 . . . . 29 PHE CZ . 11180 1 335 . 1 1 29 29 PHE N N 15 113.372 0.300 . 1 . . . . 29 PHE N . 11180 1 336 . 1 1 30 30 ASP H H 1 7.648 0.030 . 1 . . . . 30 ASP H . 11180 1 337 . 1 1 30 30 ASP HA H 1 4.775 0.030 . 1 . . . . 30 ASP HA . 11180 1 338 . 1 1 30 30 ASP HB2 H 1 2.623 0.030 . 2 . . . . 30 ASP HB2 . 11180 1 339 . 1 1 30 30 ASP HB3 H 1 2.852 0.030 . 2 . . . . 30 ASP HB3 . 11180 1 340 . 1 1 30 30 ASP C C 13 176.238 0.300 . 1 . . . . 30 ASP C . 11180 1 341 . 1 1 30 30 ASP CA C 13 54.376 0.300 . 1 . . . . 30 ASP CA . 11180 1 342 . 1 1 30 30 ASP CB C 13 41.385 0.300 . 1 . . . . 30 ASP CB . 11180 1 343 . 1 1 30 30 ASP N N 15 119.433 0.300 . 1 . . . . 30 ASP N . 11180 1 344 . 1 1 31 31 GLY H H 1 7.588 0.030 . 1 . . . . 31 GLY H . 11180 1 345 . 1 1 31 31 GLY HA2 H 1 4.084 0.030 . 2 . . . . 31 GLY HA2 . 11180 1 346 . 1 1 31 31 GLY HA3 H 1 4.379 0.030 . 2 . . . . 31 GLY HA3 . 11180 1 347 . 1 1 31 31 GLY C C 13 172.619 0.300 . 1 . . . . 31 GLY C . 11180 1 348 . 1 1 31 31 GLY CA C 13 44.773 0.300 . 1 . . . . 31 GLY CA . 11180 1 349 . 1 1 31 31 GLY N N 15 108.929 0.300 . 1 . . . . 31 GLY N . 11180 1 350 . 1 1 32 32 PRO HA H 1 4.559 0.030 . 1 . . . . 32 PRO HA . 11180 1 351 . 1 1 32 32 PRO HB2 H 1 2.107 0.030 . 1 . . . . 32 PRO HB2 . 11180 1 352 . 1 1 32 32 PRO HB3 H 1 2.107 0.030 . 1 . . . . 32 PRO HB3 . 11180 1 353 . 1 1 32 32 PRO HD2 H 1 3.606 0.030 . 2 . . . . 32 PRO HD2 . 11180 1 354 . 1 1 32 32 PRO HD3 H 1 3.730 0.030 . 2 . . . . 32 PRO HD3 . 11180 1 355 . 1 1 32 32 PRO HG2 H 1 1.969 0.030 . 2 . . . . 32 PRO HG2 . 11180 1 356 . 1 1 32 32 PRO HG3 H 1 2.054 0.030 . 2 . . . . 32 PRO HG3 . 11180 1 357 . 1 1 32 32 PRO C C 13 177.078 0.300 . 1 . . . . 32 PRO C . 11180 1 358 . 1 1 32 32 PRO CA C 13 63.502 0.300 . 1 . . . . 32 PRO CA . 11180 1 359 . 1 1 32 32 PRO CB C 13 32.104 0.300 . 1 . . . . 32 PRO CB . 11180 1 360 . 1 1 32 32 PRO CD C 13 49.268 0.300 . 1 . . . . 32 PRO CD . 11180 1 361 . 1 1 32 32 PRO CG C 13 26.533 0.300 . 1 . . . . 32 PRO CG . 11180 1 362 . 1 1 33 33 ASN H H 1 8.361 0.030 . 1 . . . . 33 ASN H . 11180 1 363 . 1 1 33 33 ASN HA H 1 4.576 0.030 . 1 . . . . 33 ASN HA . 11180 1 364 . 1 1 33 33 ASN HB2 H 1 2.737 0.030 . 2 . . . . 33 ASN HB2 . 11180 1 365 . 1 1 33 33 ASN HB3 H 1 2.826 0.030 . 2 . . . . 33 ASN HB3 . 11180 1 366 . 1 1 33 33 ASN HD21 H 1 6.922 0.030 . 2 . . . . 33 ASN HD21 . 11180 1 367 . 1 1 33 33 ASN HD22 H 1 8.477 0.030 . 2 . . . . 33 ASN HD22 . 11180 1 368 . 1 1 33 33 ASN C C 13 175.686 0.300 . 1 . . . . 33 ASN C . 11180 1 369 . 1 1 33 33 ASN CA C 13 53.743 0.300 . 1 . . . . 33 ASN CA . 11180 1 370 . 1 1 33 33 ASN CB C 13 38.884 0.300 . 1 . . . . 33 ASN CB . 11180 1 371 . 1 1 33 33 ASN N N 15 121.683 0.300 . 1 . . . . 33 ASN N . 11180 1 372 . 1 1 33 33 ASN ND2 N 15 114.392 0.300 . 1 . . . . 33 ASN ND2 . 11180 1 373 . 1 1 34 34 GLU H H 1 8.729 0.030 . 1 . . . . 34 GLU H . 11180 1 374 . 1 1 34 34 GLU HA H 1 4.148 0.030 . 1 . . . . 34 GLU HA . 11180 1 375 . 1 1 34 34 GLU HB2 H 1 1.948 0.030 . 2 . . . . 34 GLU HB2 . 11180 1 376 . 1 1 34 34 GLU HB3 H 1 2.046 0.030 . 2 . . . . 34 GLU HB3 . 11180 1 377 . 1 1 34 34 GLU HG2 H 1 2.281 0.030 . 2 . . . . 34 GLU HG2 . 11180 1 378 . 1 1 34 34 GLU HG3 H 1 2.333 0.030 . 2 . . . . 34 GLU HG3 . 11180 1 379 . 1 1 34 34 GLU C C 13 176.327 0.300 . 1 . . . . 34 GLU C . 11180 1 380 . 1 1 34 34 GLU CA C 13 57.771 0.300 . 1 . . . . 34 GLU CA . 11180 1 381 . 1 1 34 34 GLU CB C 13 30.281 0.300 . 1 . . . . 34 GLU CB . 11180 1 382 . 1 1 34 34 GLU CG C 13 36.430 0.300 . 1 . . . . 34 GLU CG . 11180 1 383 . 1 1 34 34 GLU N N 15 121.980 0.300 . 1 . . . . 34 GLU N . 11180 1 384 . 1 1 35 35 ASN H H 1 8.544 0.030 . 1 . . . . 35 ASN H . 11180 1 385 . 1 1 35 35 ASN HA H 1 5.114 0.030 . 1 . . . . 35 ASN HA . 11180 1 386 . 1 1 35 35 ASN HB2 H 1 2.548 0.030 . 2 . . . . 35 ASN HB2 . 11180 1 387 . 1 1 35 35 ASN HB3 H 1 2.769 0.030 . 2 . . . . 35 ASN HB3 . 11180 1 388 . 1 1 35 35 ASN HD21 H 1 6.769 0.030 . 2 . . . . 35 ASN HD21 . 11180 1 389 . 1 1 35 35 ASN HD22 H 1 7.723 0.030 . 2 . . . . 35 ASN HD22 . 11180 1 390 . 1 1 35 35 ASN C C 13 173.088 0.300 . 1 . . . . 35 ASN C . 11180 1 391 . 1 1 35 35 ASN CA C 13 51.358 0.300 . 1 . . . . 35 ASN CA . 11180 1 392 . 1 1 35 35 ASN CB C 13 38.907 0.300 . 1 . . . . 35 ASN CB . 11180 1 393 . 1 1 35 35 ASN N N 15 115.934 0.300 . 1 . . . . 35 ASN N . 11180 1 394 . 1 1 35 35 ASN ND2 N 15 112.236 0.300 . 1 . . . . 35 ASN ND2 . 11180 1 395 . 1 1 36 36 PRO HA H 1 3.893 0.030 . 1 . . . . 36 PRO HA . 11180 1 396 . 1 1 36 36 PRO HB2 H 1 0.582 0.030 . 2 . . . . 36 PRO HB2 . 11180 1 397 . 1 1 36 36 PRO HB3 H 1 1.631 0.030 . 2 . . . . 36 PRO HB3 . 11180 1 398 . 1 1 36 36 PRO HD2 H 1 3.359 0.030 . 2 . . . . 36 PRO HD2 . 11180 1 399 . 1 1 36 36 PRO HD3 H 1 3.708 0.030 . 2 . . . . 36 PRO HD3 . 11180 1 400 . 1 1 36 36 PRO HG2 H 1 1.698 0.030 . 2 . . . . 36 PRO HG2 . 11180 1 401 . 1 1 36 36 PRO HG3 H 1 1.900 0.030 . 2 . . . . 36 PRO HG3 . 11180 1 402 . 1 1 36 36 PRO C C 13 177.598 0.300 . 1 . . . . 36 PRO C . 11180 1 403 . 1 1 36 36 PRO CA C 13 64.638 0.300 . 1 . . . . 36 PRO CA . 11180 1 404 . 1 1 36 36 PRO CB C 13 30.777 0.300 . 1 . . . . 36 PRO CB . 11180 1 405 . 1 1 36 36 PRO CD C 13 50.434 0.300 . 1 . . . . 36 PRO CD . 11180 1 406 . 1 1 36 36 PRO CG C 13 27.654 0.300 . 1 . . . . 36 PRO CG . 11180 1 407 . 1 1 37 37 GLU H H 1 8.763 0.030 . 1 . . . . 37 GLU H . 11180 1 408 . 1 1 37 37 GLU HA H 1 4.155 0.030 . 1 . . . . 37 GLU HA . 11180 1 409 . 1 1 37 37 GLU HB2 H 1 2.048 0.030 . 2 . . . . 37 GLU HB2 . 11180 1 410 . 1 1 37 37 GLU HB3 H 1 2.137 0.030 . 2 . . . . 37 GLU HB3 . 11180 1 411 . 1 1 37 37 GLU HG2 H 1 2.391 0.030 . 2 . . . . 37 GLU HG2 . 11180 1 412 . 1 1 37 37 GLU HG3 H 1 2.426 0.030 . 2 . . . . 37 GLU HG3 . 11180 1 413 . 1 1 37 37 GLU C C 13 176.377 0.300 . 1 . . . . 37 GLU C . 11180 1 414 . 1 1 37 37 GLU CA C 13 58.258 0.300 . 1 . . . . 37 GLU CA . 11180 1 415 . 1 1 37 37 GLU CB C 13 28.755 0.300 . 1 . . . . 37 GLU CB . 11180 1 416 . 1 1 37 37 GLU CG C 13 36.504 0.300 . 1 . . . . 37 GLU CG . 11180 1 417 . 1 1 37 37 GLU N N 15 117.490 0.300 . 1 . . . . 37 GLU N . 11180 1 418 . 1 1 38 38 ALA H H 1 7.579 0.030 . 1 . . . . 38 ALA H . 11180 1 419 . 1 1 38 38 ALA HA H 1 4.348 0.030 . 1 . . . . 38 ALA HA . 11180 1 420 . 1 1 38 38 ALA HB1 H 1 1.428 0.030 . 1 . . . . 38 ALA HB . 11180 1 421 . 1 1 38 38 ALA HB2 H 1 1.428 0.030 . 1 . . . . 38 ALA HB . 11180 1 422 . 1 1 38 38 ALA HB3 H 1 1.428 0.030 . 1 . . . . 38 ALA HB . 11180 1 423 . 1 1 38 38 ALA C C 13 178.060 0.300 . 1 . . . . 38 ALA C . 11180 1 424 . 1 1 38 38 ALA CA C 13 52.332 0.300 . 1 . . . . 38 ALA CA . 11180 1 425 . 1 1 38 38 ALA CB C 13 19.921 0.300 . 1 . . . . 38 ALA CB . 11180 1 426 . 1 1 38 38 ALA N N 15 120.230 0.300 . 1 . . . . 38 ALA N . 11180 1 427 . 1 1 39 39 GLU H H 1 7.501 0.030 . 1 . . . . 39 GLU H . 11180 1 428 . 1 1 39 39 GLU HA H 1 4.960 0.030 . 1 . . . . 39 GLU HA . 11180 1 429 . 1 1 39 39 GLU HB2 H 1 1.912 0.030 . 2 . . . . 39 GLU HB2 . 11180 1 430 . 1 1 39 39 GLU HB3 H 1 2.340 0.030 . 2 . . . . 39 GLU HB3 . 11180 1 431 . 1 1 39 39 GLU HG2 H 1 1.959 0.030 . 2 . . . . 39 GLU HG2 . 11180 1 432 . 1 1 39 39 GLU HG3 H 1 2.134 0.030 . 2 . . . . 39 GLU HG3 . 11180 1 433 . 1 1 39 39 GLU C C 13 175.624 0.300 . 1 . . . . 39 GLU C . 11180 1 434 . 1 1 39 39 GLU CA C 13 55.278 0.300 . 1 . . . . 39 GLU CA . 11180 1 435 . 1 1 39 39 GLU CB C 13 33.053 0.300 . 1 . . . . 39 GLU CB . 11180 1 436 . 1 1 39 39 GLU CG C 13 36.708 0.300 . 1 . . . . 39 GLU CG . 11180 1 437 . 1 1 39 39 GLU N N 15 118.305 0.300 . 1 . . . . 39 GLU N . 11180 1 438 . 1 1 40 40 LEU H H 1 8.133 0.030 . 1 . . . . 40 LEU H . 11180 1 439 . 1 1 40 40 LEU HA H 1 4.720 0.030 . 1 . . . . 40 LEU HA . 11180 1 440 . 1 1 40 40 LEU HB2 H 1 1.321 0.030 . 2 . . . . 40 LEU HB2 . 11180 1 441 . 1 1 40 40 LEU HB3 H 1 1.462 0.030 . 2 . . . . 40 LEU HB3 . 11180 1 442 . 1 1 40 40 LEU HD11 H 1 0.722 0.030 . 1 . . . . 40 LEU HD1 . 11180 1 443 . 1 1 40 40 LEU HD12 H 1 0.722 0.030 . 1 . . . . 40 LEU HD1 . 11180 1 444 . 1 1 40 40 LEU HD13 H 1 0.722 0.030 . 1 . . . . 40 LEU HD1 . 11180 1 445 . 1 1 40 40 LEU HD21 H 1 0.688 0.030 . 1 . . . . 40 LEU HD2 . 11180 1 446 . 1 1 40 40 LEU HD22 H 1 0.688 0.030 . 1 . . . . 40 LEU HD2 . 11180 1 447 . 1 1 40 40 LEU HD23 H 1 0.688 0.030 . 1 . . . . 40 LEU HD2 . 11180 1 448 . 1 1 40 40 LEU HG H 1 1.269 0.030 . 1 . . . . 40 LEU HG . 11180 1 449 . 1 1 40 40 LEU C C 13 173.623 0.300 . 1 . . . . 40 LEU C . 11180 1 450 . 1 1 40 40 LEU CA C 13 51.709 0.300 . 1 . . . . 40 LEU CA . 11180 1 451 . 1 1 40 40 LEU CB C 13 43.964 0.300 . 1 . . . . 40 LEU CB . 11180 1 452 . 1 1 40 40 LEU CD1 C 13 24.160 0.300 . 2 . . . . 40 LEU CD1 . 11180 1 453 . 1 1 40 40 LEU CD2 C 13 23.570 0.300 . 2 . . . . 40 LEU CD2 . 11180 1 454 . 1 1 40 40 LEU CG C 13 26.140 0.300 . 1 . . . . 40 LEU CG . 11180 1 455 . 1 1 40 40 LEU N N 15 122.114 0.300 . 1 . . . . 40 LEU N . 11180 1 456 . 1 1 41 41 PRO HA H 1 4.726 0.030 . 1 . . . . 41 PRO HA . 11180 1 457 . 1 1 41 41 PRO HB2 H 1 1.992 0.030 . 2 . . . . 41 PRO HB2 . 11180 1 458 . 1 1 41 41 PRO HB3 H 1 2.297 0.030 . 2 . . . . 41 PRO HB3 . 11180 1 459 . 1 1 41 41 PRO HD2 H 1 3.638 0.030 . 2 . . . . 41 PRO HD2 . 11180 1 460 . 1 1 41 41 PRO HD3 H 1 3.939 0.030 . 2 . . . . 41 PRO HD3 . 11180 1 461 . 1 1 41 41 PRO HG2 H 1 2.072 0.030 . 2 . . . . 41 PRO HG2 . 11180 1 462 . 1 1 41 41 PRO HG3 H 1 2.216 0.030 . 2 . . . . 41 PRO HG3 . 11180 1 463 . 1 1 41 41 PRO C C 13 176.762 0.300 . 1 . . . . 41 PRO C . 11180 1 464 . 1 1 41 41 PRO CA C 13 62.021 0.300 . 1 . . . . 41 PRO CA . 11180 1 465 . 1 1 41 41 PRO CB C 13 31.652 0.300 . 1 . . . . 41 PRO CB . 11180 1 466 . 1 1 41 41 PRO CD C 13 50.245 0.300 . 1 . . . . 41 PRO CD . 11180 1 467 . 1 1 41 41 PRO CG C 13 27.385 0.300 . 1 . . . . 41 PRO CG . 11180 1 468 . 1 1 42 42 LEU H H 1 8.755 0.030 . 1 . . . . 42 LEU H . 11180 1 469 . 1 1 42 42 LEU HA H 1 5.000 0.030 . 1 . . . . 42 LEU HA . 11180 1 470 . 1 1 42 42 LEU HB2 H 1 1.440 0.030 . 2 . . . . 42 LEU HB2 . 11180 1 471 . 1 1 42 42 LEU HB3 H 1 1.946 0.030 . 2 . . . . 42 LEU HB3 . 11180 1 472 . 1 1 42 42 LEU HD11 H 1 1.011 0.030 . 1 . . . . 42 LEU HD1 . 11180 1 473 . 1 1 42 42 LEU HD12 H 1 1.011 0.030 . 1 . . . . 42 LEU HD1 . 11180 1 474 . 1 1 42 42 LEU HD13 H 1 1.011 0.030 . 1 . . . . 42 LEU HD1 . 11180 1 475 . 1 1 42 42 LEU HD21 H 1 0.909 0.030 . 1 . . . . 42 LEU HD2 . 11180 1 476 . 1 1 42 42 LEU HD22 H 1 0.909 0.030 . 1 . . . . 42 LEU HD2 . 11180 1 477 . 1 1 42 42 LEU HD23 H 1 0.909 0.030 . 1 . . . . 42 LEU HD2 . 11180 1 478 . 1 1 42 42 LEU HG H 1 2.063 0.030 . 1 . . . . 42 LEU HG . 11180 1 479 . 1 1 42 42 LEU C C 13 177.897 0.300 . 1 . . . . 42 LEU C . 11180 1 480 . 1 1 42 42 LEU CA C 13 53.357 0.300 . 1 . . . . 42 LEU CA . 11180 1 481 . 1 1 42 42 LEU CB C 13 46.076 0.300 . 1 . . . . 42 LEU CB . 11180 1 482 . 1 1 42 42 LEU CD1 C 13 26.600 0.300 . 2 . . . . 42 LEU CD1 . 11180 1 483 . 1 1 42 42 LEU CD2 C 13 23.990 0.300 . 2 . . . . 42 LEU CD2 . 11180 1 484 . 1 1 42 42 LEU CG C 13 26.512 0.300 . 1 . . . . 42 LEU CG . 11180 1 485 . 1 1 42 42 LEU N N 15 118.750 0.300 . 1 . . . . 42 LEU N . 11180 1 486 . 1 1 43 43 THR H H 1 8.362 0.030 . 1 . . . . 43 THR H . 11180 1 487 . 1 1 43 43 THR HA H 1 4.610 0.030 . 1 . . . . 43 THR HA . 11180 1 488 . 1 1 43 43 THR HB H 1 3.751 0.030 . 1 . . . . 43 THR HB . 11180 1 489 . 1 1 43 43 THR HG21 H 1 1.213 0.030 . 1 . . . . 43 THR HG2 . 11180 1 490 . 1 1 43 43 THR HG22 H 1 1.213 0.030 . 1 . . . . 43 THR HG2 . 11180 1 491 . 1 1 43 43 THR HG23 H 1 1.213 0.030 . 1 . . . . 43 THR HG2 . 11180 1 492 . 1 1 43 43 THR C C 13 172.751 0.300 . 1 . . . . 43 THR C . 11180 1 493 . 1 1 43 43 THR CA C 13 61.240 0.300 . 1 . . . . 43 THR CA . 11180 1 494 . 1 1 43 43 THR CB C 13 71.025 0.300 . 1 . . . . 43 THR CB . 11180 1 495 . 1 1 43 43 THR CG2 C 13 21.403 0.300 . 1 . . . . 43 THR CG2 . 11180 1 496 . 1 1 43 43 THR N N 15 119.591 0.300 . 1 . . . . 43 THR N . 11180 1 497 . 1 1 44 44 ALA H H 1 8.490 0.030 . 1 . . . . 44 ALA H . 11180 1 498 . 1 1 44 44 ALA HA H 1 3.340 0.030 . 1 . . . . 44 ALA HA . 11180 1 499 . 1 1 44 44 ALA HB1 H 1 1.236 0.030 . 1 . . . . 44 ALA HB . 11180 1 500 . 1 1 44 44 ALA HB2 H 1 1.236 0.030 . 1 . . . . 44 ALA HB . 11180 1 501 . 1 1 44 44 ALA HB3 H 1 1.236 0.030 . 1 . . . . 44 ALA HB . 11180 1 502 . 1 1 44 44 ALA C C 13 178.022 0.300 . 1 . . . . 44 ALA C . 11180 1 503 . 1 1 44 44 ALA CA C 13 53.748 0.300 . 1 . . . . 44 ALA CA . 11180 1 504 . 1 1 44 44 ALA CB C 13 18.050 0.300 . 1 . . . . 44 ALA CB . 11180 1 505 . 1 1 44 44 ALA N N 15 128.802 0.300 . 1 . . . . 44 ALA N . 11180 1 506 . 1 1 45 45 GLY H H 1 8.767 0.030 . 1 . . . . 45 GLY H . 11180 1 507 . 1 1 45 45 GLY HA2 H 1 3.356 0.030 . 2 . . . . 45 GLY HA2 . 11180 1 508 . 1 1 45 45 GLY HA3 H 1 4.133 0.030 . 2 . . . . 45 GLY HA3 . 11180 1 509 . 1 1 45 45 GLY C C 13 173.748 0.300 . 1 . . . . 45 GLY C . 11180 1 510 . 1 1 45 45 GLY CA C 13 45.135 0.300 . 1 . . . . 45 GLY CA . 11180 1 511 . 1 1 45 45 GLY N N 15 109.305 0.300 . 1 . . . . 45 GLY N . 11180 1 512 . 1 1 46 46 LYS H H 1 7.756 0.030 . 1 . . . . 46 LYS H . 11180 1 513 . 1 1 46 46 LYS HA H 1 4.466 0.030 . 1 . . . . 46 LYS HA . 11180 1 514 . 1 1 46 46 LYS HB2 H 1 1.963 0.030 . 2 . . . . 46 LYS HB2 . 11180 1 515 . 1 1 46 46 LYS HB3 H 1 2.062 0.030 . 2 . . . . 46 LYS HB3 . 11180 1 516 . 1 1 46 46 LYS HD2 H 1 1.675 0.030 . 1 . . . . 46 LYS HD2 . 11180 1 517 . 1 1 46 46 LYS HD3 H 1 1.675 0.030 . 1 . . . . 46 LYS HD3 . 11180 1 518 . 1 1 46 46 LYS HE2 H 1 2.973 0.030 . 2 . . . . 46 LYS HE2 . 11180 1 519 . 1 1 46 46 LYS HE3 H 1 3.022 0.030 . 2 . . . . 46 LYS HE3 . 11180 1 520 . 1 1 46 46 LYS HG2 H 1 1.286 0.030 . 2 . . . . 46 LYS HG2 . 11180 1 521 . 1 1 46 46 LYS HG3 H 1 1.464 0.030 . 2 . . . . 46 LYS HG3 . 11180 1 522 . 1 1 46 46 LYS C C 13 176.224 0.300 . 1 . . . . 46 LYS C . 11180 1 523 . 1 1 46 46 LYS CA C 13 54.756 0.300 . 1 . . . . 46 LYS CA . 11180 1 524 . 1 1 46 46 LYS CB C 13 32.861 0.300 . 1 . . . . 46 LYS CB . 11180 1 525 . 1 1 46 46 LYS CD C 13 28.625 0.300 . 1 . . . . 46 LYS CD . 11180 1 526 . 1 1 46 46 LYS CE C 13 42.453 0.300 . 1 . . . . 46 LYS CE . 11180 1 527 . 1 1 46 46 LYS CG C 13 25.537 0.300 . 1 . . . . 46 LYS CG . 11180 1 528 . 1 1 46 46 LYS N N 15 119.405 0.300 . 1 . . . . 46 LYS N . 11180 1 529 . 1 1 47 47 TYR H H 1 8.322 0.030 . 1 . . . . 47 TYR H . 11180 1 530 . 1 1 47 47 TYR HA H 1 5.338 0.030 . 1 . . . . 47 TYR HA . 11180 1 531 . 1 1 47 47 TYR HB2 H 1 2.805 0.030 . 2 . . . . 47 TYR HB2 . 11180 1 532 . 1 1 47 47 TYR HB3 H 1 2.896 0.030 . 2 . . . . 47 TYR HB3 . 11180 1 533 . 1 1 47 47 TYR HD1 H 1 7.129 0.030 . 1 . . . . 47 TYR HD1 . 11180 1 534 . 1 1 47 47 TYR HD2 H 1 7.129 0.030 . 1 . . . . 47 TYR HD2 . 11180 1 535 . 1 1 47 47 TYR HE1 H 1 6.709 0.030 . 1 . . . . 47 TYR HE1 . 11180 1 536 . 1 1 47 47 TYR HE2 H 1 6.709 0.030 . 1 . . . . 47 TYR HE2 . 11180 1 537 . 1 1 47 47 TYR C C 13 174.873 0.300 . 1 . . . . 47 TYR C . 11180 1 538 . 1 1 47 47 TYR CA C 13 57.508 0.300 . 1 . . . . 47 TYR CA . 11180 1 539 . 1 1 47 47 TYR CB C 13 40.523 0.300 . 1 . . . . 47 TYR CB . 11180 1 540 . 1 1 47 47 TYR CD1 C 13 132.630 0.300 . 1 . . . . 47 TYR CD1 . 11180 1 541 . 1 1 47 47 TYR CD2 C 13 132.630 0.300 . 1 . . . . 47 TYR CD2 . 11180 1 542 . 1 1 47 47 TYR CE1 C 13 117.870 0.300 . 1 . . . . 47 TYR CE1 . 11180 1 543 . 1 1 47 47 TYR CE2 C 13 117.870 0.300 . 1 . . . . 47 TYR CE2 . 11180 1 544 . 1 1 47 47 TYR N N 15 120.744 0.300 . 1 . . . . 47 TYR N . 11180 1 545 . 1 1 48 48 LEU H H 1 8.672 0.030 . 1 . . . . 48 LEU H . 11180 1 546 . 1 1 48 48 LEU HA H 1 4.312 0.030 . 1 . . . . 48 LEU HA . 11180 1 547 . 1 1 48 48 LEU HB2 H 1 1.796 0.030 . 2 . . . . 48 LEU HB2 . 11180 1 548 . 1 1 48 48 LEU HB3 H 1 1.867 0.030 . 2 . . . . 48 LEU HB3 . 11180 1 549 . 1 1 48 48 LEU HD11 H 1 0.672 0.030 . 1 . . . . 48 LEU HD1 . 11180 1 550 . 1 1 48 48 LEU HD12 H 1 0.672 0.030 . 1 . . . . 48 LEU HD1 . 11180 1 551 . 1 1 48 48 LEU HD13 H 1 0.672 0.030 . 1 . . . . 48 LEU HD1 . 11180 1 552 . 1 1 48 48 LEU HD21 H 1 0.695 0.030 . 1 . . . . 48 LEU HD2 . 11180 1 553 . 1 1 48 48 LEU HD22 H 1 0.695 0.030 . 1 . . . . 48 LEU HD2 . 11180 1 554 . 1 1 48 48 LEU HD23 H 1 0.695 0.030 . 1 . . . . 48 LEU HD2 . 11180 1 555 . 1 1 48 48 LEU HG H 1 1.217 0.030 . 1 . . . . 48 LEU HG . 11180 1 556 . 1 1 48 48 LEU C C 13 172.623 0.300 . 1 . . . . 48 LEU C . 11180 1 557 . 1 1 48 48 LEU CA C 13 55.898 0.300 . 1 . . . . 48 LEU CA . 11180 1 558 . 1 1 48 48 LEU CB C 13 42.752 0.300 . 1 . . . . 48 LEU CB . 11180 1 559 . 1 1 48 48 LEU CD1 C 13 28.328 0.300 . 2 . . . . 48 LEU CD1 . 11180 1 560 . 1 1 48 48 LEU CD2 C 13 26.031 0.300 . 2 . . . . 48 LEU CD2 . 11180 1 561 . 1 1 48 48 LEU CG C 13 27.136 0.300 . 1 . . . . 48 LEU CG . 11180 1 562 . 1 1 48 48 LEU N N 15 115.517 0.300 . 1 . . . . 48 LEU N . 11180 1 563 . 1 1 49 49 TYR H H 1 9.132 0.030 . 1 . . . . 49 TYR H . 11180 1 564 . 1 1 49 49 TYR HA H 1 5.545 0.030 . 1 . . . . 49 TYR HA . 11180 1 565 . 1 1 49 49 TYR HB2 H 1 2.678 0.030 . 2 . . . . 49 TYR HB2 . 11180 1 566 . 1 1 49 49 TYR HB3 H 1 2.822 0.030 . 2 . . . . 49 TYR HB3 . 11180 1 567 . 1 1 49 49 TYR HD1 H 1 6.837 0.030 . 1 . . . . 49 TYR HD1 . 11180 1 568 . 1 1 49 49 TYR HD2 H 1 6.837 0.030 . 1 . . . . 49 TYR HD2 . 11180 1 569 . 1 1 49 49 TYR HE1 H 1 6.694 0.030 . 1 . . . . 49 TYR HE1 . 11180 1 570 . 1 1 49 49 TYR HE2 H 1 6.694 0.030 . 1 . . . . 49 TYR HE2 . 11180 1 571 . 1 1 49 49 TYR C C 13 176.441 0.300 . 1 . . . . 49 TYR C . 11180 1 572 . 1 1 49 49 TYR CA C 13 56.376 0.300 . 1 . . . . 49 TYR CA . 11180 1 573 . 1 1 49 49 TYR CB C 13 41.425 0.300 . 1 . . . . 49 TYR CB . 11180 1 574 . 1 1 49 49 TYR CD1 C 13 132.505 0.300 . 1 . . . . 49 TYR CD1 . 11180 1 575 . 1 1 49 49 TYR CD2 C 13 132.505 0.300 . 1 . . . . 49 TYR CD2 . 11180 1 576 . 1 1 49 49 TYR CE1 C 13 117.873 0.300 . 1 . . . . 49 TYR CE1 . 11180 1 577 . 1 1 49 49 TYR CE2 C 13 117.873 0.300 . 1 . . . . 49 TYR CE2 . 11180 1 578 . 1 1 49 49 TYR N N 15 117.230 0.300 . 1 . . . . 49 TYR N . 11180 1 579 . 1 1 50 50 VAL H H 1 8.632 0.030 . 1 . . . . 50 VAL H . 11180 1 580 . 1 1 50 50 VAL HA H 1 5.271 0.030 . 1 . . . . 50 VAL HA . 11180 1 581 . 1 1 50 50 VAL HB H 1 1.791 0.030 . 1 . . . . 50 VAL HB . 11180 1 582 . 1 1 50 50 VAL HG11 H 1 0.607 0.030 . 1 . . . . 50 VAL HG1 . 11180 1 583 . 1 1 50 50 VAL HG12 H 1 0.607 0.030 . 1 . . . . 50 VAL HG1 . 11180 1 584 . 1 1 50 50 VAL HG13 H 1 0.607 0.030 . 1 . . . . 50 VAL HG1 . 11180 1 585 . 1 1 50 50 VAL HG21 H 1 0.433 0.030 . 1 . . . . 50 VAL HG2 . 11180 1 586 . 1 1 50 50 VAL HG22 H 1 0.433 0.030 . 1 . . . . 50 VAL HG2 . 11180 1 587 . 1 1 50 50 VAL HG23 H 1 0.433 0.030 . 1 . . . . 50 VAL HG2 . 11180 1 588 . 1 1 50 50 VAL C C 13 174.779 0.300 . 1 . . . . 50 VAL C . 11180 1 589 . 1 1 50 50 VAL CA C 13 60.014 0.300 . 1 . . . . 50 VAL CA . 11180 1 590 . 1 1 50 50 VAL CB C 13 35.551 0.300 . 1 . . . . 50 VAL CB . 11180 1 591 . 1 1 50 50 VAL CG1 C 13 21.154 0.300 . 2 . . . . 50 VAL CG1 . 11180 1 592 . 1 1 50 50 VAL CG2 C 13 20.620 0.300 . 2 . . . . 50 VAL CG2 . 11180 1 593 . 1 1 50 50 VAL N N 15 113.977 0.300 . 1 . . . . 50 VAL N . 11180 1 594 . 1 1 51 51 TYR H H 1 8.776 0.030 . 1 . . . . 51 TYR H . 11180 1 595 . 1 1 51 51 TYR HA H 1 4.861 0.030 . 1 . . . . 51 TYR HA . 11180 1 596 . 1 1 51 51 TYR HB2 H 1 2.589 0.030 . 2 . . . . 51 TYR HB2 . 11180 1 597 . 1 1 51 51 TYR HB3 H 1 2.776 0.030 . 2 . . . . 51 TYR HB3 . 11180 1 598 . 1 1 51 51 TYR HD1 H 1 6.967 0.030 . 1 . . . . 51 TYR HD1 . 11180 1 599 . 1 1 51 51 TYR HD2 H 1 6.967 0.030 . 1 . . . . 51 TYR HD2 . 11180 1 600 . 1 1 51 51 TYR HE1 H 1 6.708 0.030 . 1 . . . . 51 TYR HE1 . 11180 1 601 . 1 1 51 51 TYR HE2 H 1 6.708 0.030 . 1 . . . . 51 TYR HE2 . 11180 1 602 . 1 1 51 51 TYR C C 13 176.863 0.300 . 1 . . . . 51 TYR C . 11180 1 603 . 1 1 51 51 TYR CA C 13 56.495 0.300 . 1 . . . . 51 TYR CA . 11180 1 604 . 1 1 51 51 TYR CB C 13 39.871 0.300 . 1 . . . . 51 TYR CB . 11180 1 605 . 1 1 51 51 TYR CD1 C 13 132.686 0.300 . 1 . . . . 51 TYR CD1 . 11180 1 606 . 1 1 51 51 TYR CD2 C 13 132.686 0.300 . 1 . . . . 51 TYR CD2 . 11180 1 607 . 1 1 51 51 TYR CE1 C 13 118.132 0.300 . 1 . . . . 51 TYR CE1 . 11180 1 608 . 1 1 51 51 TYR CE2 C 13 118.132 0.300 . 1 . . . . 51 TYR CE2 . 11180 1 609 . 1 1 51 51 TYR N N 15 123.520 0.300 . 1 . . . . 51 TYR N . 11180 1 610 . 1 1 52 52 GLY H H 1 9.361 0.030 . 1 . . . . 52 GLY H . 11180 1 611 . 1 1 52 52 GLY HA2 H 1 3.955 0.030 . 2 . . . . 52 GLY HA2 . 11180 1 612 . 1 1 52 52 GLY HA3 H 1 4.248 0.030 . 2 . . . . 52 GLY HA3 . 11180 1 613 . 1 1 52 52 GLY C C 13 172.508 0.300 . 1 . . . . 52 GLY C . 11180 1 614 . 1 1 52 52 GLY CA C 13 46.081 0.300 . 1 . . . . 52 GLY CA . 11180 1 615 . 1 1 52 52 GLY N N 15 111.895 0.300 . 1 . . . . 52 GLY N . 11180 1 616 . 1 1 53 53 ASP H H 1 8.289 0.030 . 1 . . . . 53 ASP H . 11180 1 617 . 1 1 53 53 ASP HA H 1 5.143 0.030 . 1 . . . . 53 ASP HA . 11180 1 618 . 1 1 53 53 ASP HB2 H 1 2.501 0.030 . 2 . . . . 53 ASP HB2 . 11180 1 619 . 1 1 53 53 ASP HB3 H 1 2.874 0.030 . 2 . . . . 53 ASP HB3 . 11180 1 620 . 1 1 53 53 ASP C C 13 176.577 0.300 . 1 . . . . 53 ASP C . 11180 1 621 . 1 1 53 53 ASP CA C 13 52.910 0.300 . 1 . . . . 53 ASP CA . 11180 1 622 . 1 1 53 53 ASP CB C 13 43.798 0.300 . 1 . . . . 53 ASP CB . 11180 1 623 . 1 1 53 53 ASP N N 15 119.095 0.300 . 1 . . . . 53 ASP N . 11180 1 624 . 1 1 54 54 MET H H 1 8.695 0.030 . 1 . . . . 54 MET H . 11180 1 625 . 1 1 54 54 MET HA H 1 3.934 0.030 . 1 . . . . 54 MET HA . 11180 1 626 . 1 1 54 54 MET HB2 H 1 1.494 0.030 . 1 . . . . 54 MET HB2 . 11180 1 627 . 1 1 54 54 MET HB3 H 1 1.494 0.030 . 1 . . . . 54 MET HB3 . 11180 1 628 . 1 1 54 54 MET HE1 H 1 1.998 0.030 . 1 . . . . 54 MET HE . 11180 1 629 . 1 1 54 54 MET HE2 H 1 1.998 0.030 . 1 . . . . 54 MET HE . 11180 1 630 . 1 1 54 54 MET HE3 H 1 1.998 0.030 . 1 . . . . 54 MET HE . 11180 1 631 . 1 1 54 54 MET HG2 H 1 1.943 0.030 . 2 . . . . 54 MET HG2 . 11180 1 632 . 1 1 54 54 MET HG3 H 1 2.436 0.030 . 2 . . . . 54 MET HG3 . 11180 1 633 . 1 1 54 54 MET C C 13 175.678 0.300 . 1 . . . . 54 MET C . 11180 1 634 . 1 1 54 54 MET CA C 13 56.179 0.300 . 1 . . . . 54 MET CA . 11180 1 635 . 1 1 54 54 MET CB C 13 33.622 0.300 . 1 . . . . 54 MET CB . 11180 1 636 . 1 1 54 54 MET CE C 13 16.568 0.300 . 1 . . . . 54 MET CE . 11180 1 637 . 1 1 54 54 MET CG C 13 30.199 0.300 . 1 . . . . 54 MET CG . 11180 1 638 . 1 1 54 54 MET N N 15 121.821 0.300 . 1 . . . . 54 MET N . 11180 1 639 . 1 1 55 55 ASP H H 1 8.912 0.030 . 1 . . . . 55 ASP H . 11180 1 640 . 1 1 55 55 ASP HA H 1 4.622 0.030 . 1 . . . . 55 ASP HA . 11180 1 641 . 1 1 55 55 ASP HB2 H 1 2.785 0.030 . 2 . . . . 55 ASP HB2 . 11180 1 642 . 1 1 55 55 ASP HB3 H 1 3.214 0.030 . 2 . . . . 55 ASP HB3 . 11180 1 643 . 1 1 55 55 ASP C C 13 177.981 0.300 . 1 . . . . 55 ASP C . 11180 1 644 . 1 1 55 55 ASP CA C 13 52.837 0.300 . 1 . . . . 55 ASP CA . 11180 1 645 . 1 1 55 55 ASP CB C 13 41.300 0.300 . 1 . . . . 55 ASP CB . 11180 1 646 . 1 1 55 55 ASP N N 15 124.225 0.300 . 1 . . . . 55 ASP N . 11180 1 647 . 1 1 56 56 GLU H H 1 8.762 0.030 . 1 . . . . 56 GLU H . 11180 1 648 . 1 1 56 56 GLU HA H 1 4.098 0.030 . 1 . . . . 56 GLU HA . 11180 1 649 . 1 1 56 56 GLU HB2 H 1 2.015 0.030 . 2 . . . . 56 GLU HB2 . 11180 1 650 . 1 1 56 56 GLU HB3 H 1 2.076 0.030 . 2 . . . . 56 GLU HB3 . 11180 1 651 . 1 1 56 56 GLU HG2 H 1 2.315 0.030 . 1 . . . . 56 GLU HG2 . 11180 1 652 . 1 1 56 56 GLU HG3 H 1 2.315 0.030 . 1 . . . . 56 GLU HG3 . 11180 1 653 . 1 1 56 56 GLU C C 13 176.815 0.300 . 1 . . . . 56 GLU C . 11180 1 654 . 1 1 56 56 GLU CA C 13 58.389 0.300 . 1 . . . . 56 GLU CA . 11180 1 655 . 1 1 56 56 GLU CB C 13 29.463 0.300 . 1 . . . . 56 GLU CB . 11180 1 656 . 1 1 56 56 GLU CG C 13 36.220 0.300 . 1 . . . . 56 GLU CG . 11180 1 657 . 1 1 56 56 GLU N N 15 116.966 0.300 . 1 . . . . 56 GLU N . 11180 1 658 . 1 1 57 57 ASP H H 1 8.405 0.030 . 1 . . . . 57 ASP H . 11180 1 659 . 1 1 57 57 ASP HA H 1 4.791 0.030 . 1 . . . . 57 ASP HA . 11180 1 660 . 1 1 57 57 ASP HB2 H 1 2.847 0.030 . 2 . . . . 57 ASP HB2 . 11180 1 661 . 1 1 57 57 ASP HB3 H 1 3.026 0.030 . 2 . . . . 57 ASP HB3 . 11180 1 662 . 1 1 57 57 ASP C C 13 175.698 0.300 . 1 . . . . 57 ASP C . 11180 1 663 . 1 1 57 57 ASP CA C 13 54.265 0.300 . 1 . . . . 57 ASP CA . 11180 1 664 . 1 1 57 57 ASP CB C 13 42.113 0.300 . 1 . . . . 57 ASP CB . 11180 1 665 . 1 1 58 58 GLY H H 1 8.025 0.030 . 1 . . . . 58 GLY H . 11180 1 666 . 1 1 58 58 GLY HA2 H 1 3.687 0.030 . 2 . . . . 58 GLY HA2 . 11180 1 667 . 1 1 58 58 GLY HA3 H 1 3.981 0.030 . 2 . . . . 58 GLY HA3 . 11180 1 668 . 1 1 58 58 GLY C C 13 173.895 0.300 . 1 . . . . 58 GLY C . 11180 1 669 . 1 1 58 58 GLY CA C 13 45.764 0.300 . 1 . . . . 58 GLY CA . 11180 1 670 . 1 1 58 58 GLY N N 15 107.178 0.300 . 1 . . . . 58 GLY N . 11180 1 671 . 1 1 59 59 PHE H H 1 8.659 0.030 . 1 . . . . 59 PHE H . 11180 1 672 . 1 1 59 59 PHE HA H 1 5.009 0.030 . 1 . . . . 59 PHE HA . 11180 1 673 . 1 1 59 59 PHE HB2 H 1 2.760 0.030 . 2 . . . . 59 PHE HB2 . 11180 1 674 . 1 1 59 59 PHE HB3 H 1 3.374 0.030 . 2 . . . . 59 PHE HB3 . 11180 1 675 . 1 1 59 59 PHE HD1 H 1 6.992 0.030 . 1 . . . . 59 PHE HD1 . 11180 1 676 . 1 1 59 59 PHE HD2 H 1 6.992 0.030 . 1 . . . . 59 PHE HD2 . 11180 1 677 . 1 1 59 59 PHE HE1 H 1 7.224 0.030 . 1 . . . . 59 PHE HE1 . 11180 1 678 . 1 1 59 59 PHE HE2 H 1 7.224 0.030 . 1 . . . . 59 PHE HE2 . 11180 1 679 . 1 1 59 59 PHE HZ H 1 6.968 0.030 . 1 . . . . 59 PHE HZ . 11180 1 680 . 1 1 59 59 PHE C C 13 176.094 0.300 . 1 . . . . 59 PHE C . 11180 1 681 . 1 1 59 59 PHE CA C 13 57.543 0.300 . 1 . . . . 59 PHE CA . 11180 1 682 . 1 1 59 59 PHE CB C 13 41.936 0.300 . 1 . . . . 59 PHE CB . 11180 1 683 . 1 1 59 59 PHE CD1 C 13 131.874 0.300 . 1 . . . . 59 PHE CD1 . 11180 1 684 . 1 1 59 59 PHE CD2 C 13 131.874 0.300 . 1 . . . . 59 PHE CD2 . 11180 1 685 . 1 1 59 59 PHE CE1 C 13 131.031 0.300 . 1 . . . . 59 PHE CE1 . 11180 1 686 . 1 1 59 59 PHE CE2 C 13 131.031 0.300 . 1 . . . . 59 PHE CE2 . 11180 1 687 . 1 1 59 59 PHE CZ C 13 129.926 0.300 . 1 . . . . 59 PHE CZ . 11180 1 688 . 1 1 59 59 PHE N N 15 120.272 0.300 . 1 . . . . 59 PHE N . 11180 1 689 . 1 1 60 60 TYR H H 1 9.389 0.030 . 1 . . . . 60 TYR H . 11180 1 690 . 1 1 60 60 TYR HA H 1 4.996 0.030 . 1 . . . . 60 TYR HA . 11180 1 691 . 1 1 60 60 TYR HB2 H 1 2.575 0.030 . 2 . . . . 60 TYR HB2 . 11180 1 692 . 1 1 60 60 TYR HB3 H 1 3.128 0.030 . 2 . . . . 60 TYR HB3 . 11180 1 693 . 1 1 60 60 TYR HD1 H 1 6.931 0.030 . 1 . . . . 60 TYR HD1 . 11180 1 694 . 1 1 60 60 TYR HD2 H 1 6.931 0.030 . 1 . . . . 60 TYR HD2 . 11180 1 695 . 1 1 60 60 TYR HE1 H 1 6.847 0.030 . 1 . . . . 60 TYR HE1 . 11180 1 696 . 1 1 60 60 TYR HE2 H 1 6.847 0.030 . 1 . . . . 60 TYR HE2 . 11180 1 697 . 1 1 60 60 TYR C C 13 176.690 0.300 . 1 . . . . 60 TYR C . 11180 1 698 . 1 1 60 60 TYR CA C 13 56.708 0.300 . 1 . . . . 60 TYR CA . 11180 1 699 . 1 1 60 60 TYR CB C 13 42.379 0.300 . 1 . . . . 60 TYR CB . 11180 1 700 . 1 1 60 60 TYR CD1 C 13 132.673 0.300 . 1 . . . . 60 TYR CD1 . 11180 1 701 . 1 1 60 60 TYR CD2 C 13 132.673 0.300 . 1 . . . . 60 TYR CD2 . 11180 1 702 . 1 1 60 60 TYR CE1 C 13 117.953 0.300 . 1 . . . . 60 TYR CE1 . 11180 1 703 . 1 1 60 60 TYR CE2 C 13 117.953 0.300 . 1 . . . . 60 TYR CE2 . 11180 1 704 . 1 1 60 60 TYR N N 15 117.679 0.300 . 1 . . . . 60 TYR N . 11180 1 705 . 1 1 61 61 GLU H H 1 9.261 0.030 . 1 . . . . 61 GLU H . 11180 1 706 . 1 1 61 61 GLU HA H 1 4.246 0.030 . 1 . . . . 61 GLU HA . 11180 1 707 . 1 1 61 61 GLU HB2 H 1 1.295 0.030 . 2 . . . . 61 GLU HB2 . 11180 1 708 . 1 1 61 61 GLU HB3 H 1 2.025 0.030 . 2 . . . . 61 GLU HB3 . 11180 1 709 . 1 1 61 61 GLU HG2 H 1 1.956 0.030 . 2 . . . . 61 GLU HG2 . 11180 1 710 . 1 1 61 61 GLU HG3 H 1 2.428 0.030 . 2 . . . . 61 GLU HG3 . 11180 1 711 . 1 1 61 61 GLU C C 13 175.373 0.300 . 1 . . . . 61 GLU C . 11180 1 712 . 1 1 61 61 GLU CA C 13 57.149 0.300 . 1 . . . . 61 GLU CA . 11180 1 713 . 1 1 61 61 GLU CB C 13 28.600 0.300 . 1 . . . . 61 GLU CB . 11180 1 714 . 1 1 61 61 GLU CG C 13 36.242 0.300 . 1 . . . . 61 GLU CG . 11180 1 715 . 1 1 61 61 GLU N N 15 122.033 0.300 . 1 . . . . 61 GLU N . 11180 1 716 . 1 1 62 62 GLY H H 1 8.895 0.030 . 1 . . . . 62 GLY H . 11180 1 717 . 1 1 62 62 GLY HA2 H 1 3.706 0.030 . 2 . . . . 62 GLY HA2 . 11180 1 718 . 1 1 62 62 GLY HA3 H 1 5.668 0.030 . 2 . . . . 62 GLY HA3 . 11180 1 719 . 1 1 62 62 GLY C C 13 173.956 0.300 . 1 . . . . 62 GLY C . 11180 1 720 . 1 1 62 62 GLY CA C 13 44.490 0.300 . 1 . . . . 62 GLY CA . 11180 1 721 . 1 1 62 62 GLY N N 15 112.308 0.300 . 1 . . . . 62 GLY N . 11180 1 722 . 1 1 63 63 GLU H H 1 9.397 0.030 . 1 . . . . 63 GLU H . 11180 1 723 . 1 1 63 63 GLU HA H 1 5.462 0.030 . 1 . . . . 63 GLU HA . 11180 1 724 . 1 1 63 63 GLU HB2 H 1 2.258 0.030 . 2 . . . . 63 GLU HB2 . 11180 1 725 . 1 1 63 63 GLU HB3 H 1 2.306 0.030 . 2 . . . . 63 GLU HB3 . 11180 1 726 . 1 1 63 63 GLU HG2 H 1 2.784 0.030 . 2 . . . . 63 GLU HG2 . 11180 1 727 . 1 1 63 63 GLU HG3 H 1 2.040 0.030 . 2 . . . . 63 GLU HG3 . 11180 1 728 . 1 1 63 63 GLU C C 13 175.413 0.300 . 1 . . . . 63 GLU C . 11180 1 729 . 1 1 63 63 GLU CA C 13 55.329 0.300 . 1 . . . . 63 GLU CA . 11180 1 730 . 1 1 63 63 GLU CB C 13 36.409 0.300 . 1 . . . . 63 GLU CB . 11180 1 731 . 1 1 63 63 GLU CG C 13 36.420 0.300 . 1 . . . . 63 GLU CG . 11180 1 732 . 1 1 63 63 GLU N N 15 122.904 0.300 . 1 . . . . 63 GLU N . 11180 1 733 . 1 1 64 64 LEU H H 1 9.093 0.030 . 1 . . . . 64 LEU H . 11180 1 734 . 1 1 64 64 LEU HA H 1 4.653 0.030 . 1 . . . . 64 LEU HA . 11180 1 735 . 1 1 64 64 LEU HB2 H 1 1.886 0.030 . 2 . . . . 64 LEU HB2 . 11180 1 736 . 1 1 64 64 LEU HB3 H 1 2.301 0.030 . 2 . . . . 64 LEU HB3 . 11180 1 737 . 1 1 64 64 LEU HD11 H 1 1.039 0.030 . 1 . . . . 64 LEU HD1 . 11180 1 738 . 1 1 64 64 LEU HD12 H 1 1.039 0.030 . 1 . . . . 64 LEU HD1 . 11180 1 739 . 1 1 64 64 LEU HD13 H 1 1.039 0.030 . 1 . . . . 64 LEU HD1 . 11180 1 740 . 1 1 64 64 LEU HD21 H 1 1.119 0.030 . 1 . . . . 64 LEU HD2 . 11180 1 741 . 1 1 64 64 LEU HD22 H 1 1.119 0.030 . 1 . . . . 64 LEU HD2 . 11180 1 742 . 1 1 64 64 LEU HD23 H 1 1.119 0.030 . 1 . . . . 64 LEU HD2 . 11180 1 743 . 1 1 64 64 LEU HG H 1 1.909 0.030 . 1 . . . . 64 LEU HG . 11180 1 744 . 1 1 64 64 LEU C C 13 179.587 0.300 . 1 . . . . 64 LEU C . 11180 1 745 . 1 1 64 64 LEU CA C 13 54.359 0.300 . 1 . . . . 64 LEU CA . 11180 1 746 . 1 1 64 64 LEU CB C 13 41.755 0.300 . 1 . . . . 64 LEU CB . 11180 1 747 . 1 1 64 64 LEU CD1 C 13 21.988 0.300 . 2 . . . . 64 LEU CD1 . 11180 1 748 . 1 1 64 64 LEU CD2 C 13 25.521 0.300 . 2 . . . . 64 LEU CD2 . 11180 1 749 . 1 1 64 64 LEU CG C 13 26.944 0.300 . 1 . . . . 64 LEU CG . 11180 1 750 . 1 1 64 64 LEU N N 15 123.968 0.300 . 1 . . . . 64 LEU N . 11180 1 751 . 1 1 65 65 LEU H H 1 9.095 0.030 . 1 . . . . 65 LEU H . 11180 1 752 . 1 1 65 65 LEU HA H 1 4.127 0.030 . 1 . . . . 65 LEU HA . 11180 1 753 . 1 1 65 65 LEU HB2 H 1 1.674 0.030 . 2 . . . . 65 LEU HB2 . 11180 1 754 . 1 1 65 65 LEU HB3 H 1 1.818 0.030 . 2 . . . . 65 LEU HB3 . 11180 1 755 . 1 1 65 65 LEU HD11 H 1 0.641 0.030 . 1 . . . . 65 LEU HD1 . 11180 1 756 . 1 1 65 65 LEU HD12 H 1 0.641 0.030 . 1 . . . . 65 LEU HD1 . 11180 1 757 . 1 1 65 65 LEU HD13 H 1 0.641 0.030 . 1 . . . . 65 LEU HD1 . 11180 1 758 . 1 1 65 65 LEU HD21 H 1 0.839 0.030 . 1 . . . . 65 LEU HD2 . 11180 1 759 . 1 1 65 65 LEU HD22 H 1 0.839 0.030 . 1 . . . . 65 LEU HD2 . 11180 1 760 . 1 1 65 65 LEU HD23 H 1 0.839 0.030 . 1 . . . . 65 LEU HD2 . 11180 1 761 . 1 1 65 65 LEU HG H 1 1.808 0.030 . 1 . . . . 65 LEU HG . 11180 1 762 . 1 1 65 65 LEU C C 13 177.864 0.300 . 1 . . . . 65 LEU C . 11180 1 763 . 1 1 65 65 LEU CA C 13 58.274 0.300 . 1 . . . . 65 LEU CA . 11180 1 764 . 1 1 65 65 LEU CB C 13 39.965 0.300 . 1 . . . . 65 LEU CB . 11180 1 765 . 1 1 65 65 LEU CD1 C 13 22.537 0.300 . 2 . . . . 65 LEU CD1 . 11180 1 766 . 1 1 65 65 LEU CD2 C 13 25.500 0.300 . 2 . . . . 65 LEU CD2 . 11180 1 767 . 1 1 65 65 LEU CG C 13 27.920 0.300 . 1 . . . . 65 LEU CG . 11180 1 768 . 1 1 65 65 LEU N N 15 120.348 0.300 . 1 . . . . 65 LEU N . 11180 1 769 . 1 1 66 66 ASP H H 1 7.611 0.030 . 1 . . . . 66 ASP H . 11180 1 770 . 1 1 66 66 ASP HA H 1 4.582 0.030 . 1 . . . . 66 ASP HA . 11180 1 771 . 1 1 66 66 ASP HB2 H 1 2.603 0.030 . 2 . . . . 66 ASP HB2 . 11180 1 772 . 1 1 66 66 ASP HB3 H 1 3.097 0.030 . 2 . . . . 66 ASP HB3 . 11180 1 773 . 1 1 66 66 ASP C C 13 177.544 0.300 . 1 . . . . 66 ASP C . 11180 1 774 . 1 1 66 66 ASP CA C 13 53.535 0.300 . 1 . . . . 66 ASP CA . 11180 1 775 . 1 1 66 66 ASP CB C 13 40.378 0.300 . 1 . . . . 66 ASP CB . 11180 1 776 . 1 1 66 66 ASP N N 15 114.499 0.300 . 1 . . . . 66 ASP N . 11180 1 777 . 1 1 67 67 GLY H H 1 8.095 0.030 . 1 . . . . 67 GLY H . 11180 1 778 . 1 1 67 67 GLY HA2 H 1 3.731 0.030 . 2 . . . . 67 GLY HA2 . 11180 1 779 . 1 1 67 67 GLY HA3 H 1 4.404 0.030 . 2 . . . . 67 GLY HA3 . 11180 1 780 . 1 1 67 67 GLY C C 13 174.803 0.300 . 1 . . . . 67 GLY C . 11180 1 781 . 1 1 67 67 GLY CA C 13 44.900 0.300 . 1 . . . . 67 GLY CA . 11180 1 782 . 1 1 67 67 GLY N N 15 108.346 0.300 . 1 . . . . 67 GLY N . 11180 1 783 . 1 1 68 68 GLN H H 1 8.154 0.030 . 1 . . . . 68 GLN H . 11180 1 784 . 1 1 68 68 GLN HA H 1 4.079 0.030 . 1 . . . . 68 GLN HA . 11180 1 785 . 1 1 68 68 GLN HB2 H 1 1.921 0.030 . 2 . . . . 68 GLN HB2 . 11180 1 786 . 1 1 68 68 GLN HB3 H 1 2.111 0.030 . 2 . . . . 68 GLN HB3 . 11180 1 787 . 1 1 68 68 GLN HE21 H 1 6.730 0.030 . 2 . . . . 68 GLN HE21 . 11180 1 788 . 1 1 68 68 GLN HE22 H 1 8.305 0.030 . 2 . . . . 68 GLN HE22 . 11180 1 789 . 1 1 68 68 GLN HG2 H 1 2.199 0.030 . 2 . . . . 68 GLN HG2 . 11180 1 790 . 1 1 68 68 GLN HG3 H 1 2.555 0.030 . 2 . . . . 68 GLN HG3 . 11180 1 791 . 1 1 68 68 GLN C C 13 175.262 0.300 . 1 . . . . 68 GLN C . 11180 1 792 . 1 1 68 68 GLN CA C 13 58.101 0.300 . 1 . . . . 68 GLN CA . 11180 1 793 . 1 1 68 68 GLN CB C 13 29.245 0.300 . 1 . . . . 68 GLN CB . 11180 1 794 . 1 1 68 68 GLN CG C 13 34.240 0.300 . 1 . . . . 68 GLN CG . 11180 1 795 . 1 1 68 68 GLN N N 15 122.465 0.300 . 1 . . . . 68 GLN N . 11180 1 796 . 1 1 68 68 GLN NE2 N 15 112.494 0.300 . 1 . . . . 68 GLN NE2 . 11180 1 797 . 1 1 69 69 ARG H H 1 8.478 0.030 . 1 . . . . 69 ARG H . 11180 1 798 . 1 1 69 69 ARG HA H 1 5.395 0.030 . 1 . . . . 69 ARG HA . 11180 1 799 . 1 1 69 69 ARG HB2 H 1 1.533 0.030 . 2 . . . . 69 ARG HB2 . 11180 1 800 . 1 1 69 69 ARG HB3 H 1 1.838 0.030 . 2 . . . . 69 ARG HB3 . 11180 1 801 . 1 1 69 69 ARG HD2 H 1 1.664 0.030 . 2 . . . . 69 ARG HD2 . 11180 1 802 . 1 1 69 69 ARG HD3 H 1 2.662 0.030 . 2 . . . . 69 ARG HD3 . 11180 1 803 . 1 1 69 69 ARG HE H 1 7.145 0.030 . 1 . . . . 69 ARG HE . 11180 1 804 . 1 1 69 69 ARG HG2 H 1 1.399 0.030 . 2 . . . . 69 ARG HG2 . 11180 1 805 . 1 1 69 69 ARG HG3 H 1 1.901 0.030 . 2 . . . . 69 ARG HG3 . 11180 1 806 . 1 1 69 69 ARG C C 13 176.602 0.300 . 1 . . . . 69 ARG C . 11180 1 807 . 1 1 69 69 ARG CA C 13 55.418 0.300 . 1 . . . . 69 ARG CA . 11180 1 808 . 1 1 69 69 ARG CB C 13 33.858 0.300 . 1 . . . . 69 ARG CB . 11180 1 809 . 1 1 69 69 ARG CD C 13 43.123 0.300 . 1 . . . . 69 ARG CD . 11180 1 810 . 1 1 69 69 ARG CG C 13 28.120 0.300 . 1 . . . . 69 ARG CG . 11180 1 811 . 1 1 69 69 ARG N N 15 123.372 0.300 . 1 . . . . 69 ARG N . 11180 1 812 . 1 1 69 69 ARG NE N 15 86.072 0.300 . 1 . . . . 69 ARG NE . 11180 1 813 . 1 1 70 70 GLY H H 1 8.188 0.030 . 1 . . . . 70 GLY H . 11180 1 814 . 1 1 70 70 GLY HA2 H 1 3.808 0.030 . 2 . . . . 70 GLY HA2 . 11180 1 815 . 1 1 70 70 GLY HA3 H 1 4.184 0.030 . 2 . . . . 70 GLY HA3 . 11180 1 816 . 1 1 70 70 GLY C C 13 170.877 0.300 . 1 . . . . 70 GLY C . 11180 1 817 . 1 1 70 70 GLY CA C 13 45.437 0.300 . 1 . . . . 70 GLY CA . 11180 1 818 . 1 1 70 70 GLY N N 15 108.854 0.300 . 1 . . . . 70 GLY N . 11180 1 819 . 1 1 71 71 LEU H H 1 8.855 0.030 . 1 . . . . 71 LEU H . 11180 1 820 . 1 1 71 71 LEU HA H 1 5.221 0.030 . 1 . . . . 71 LEU HA . 11180 1 821 . 1 1 71 71 LEU HB2 H 1 1.206 0.030 . 2 . . . . 71 LEU HB2 . 11180 1 822 . 1 1 71 71 LEU HB3 H 1 1.418 0.030 . 2 . . . . 71 LEU HB3 . 11180 1 823 . 1 1 71 71 LEU HD11 H 1 0.414 0.030 . 1 . . . . 71 LEU HD1 . 11180 1 824 . 1 1 71 71 LEU HD12 H 1 0.414 0.030 . 1 . . . . 71 LEU HD1 . 11180 1 825 . 1 1 71 71 LEU HD13 H 1 0.414 0.030 . 1 . . . . 71 LEU HD1 . 11180 1 826 . 1 1 71 71 LEU HD21 H 1 0.756 0.030 . 1 . . . . 71 LEU HD2 . 11180 1 827 . 1 1 71 71 LEU HD22 H 1 0.756 0.030 . 1 . . . . 71 LEU HD2 . 11180 1 828 . 1 1 71 71 LEU HD23 H 1 0.756 0.030 . 1 . . . . 71 LEU HD2 . 11180 1 829 . 1 1 71 71 LEU HG H 1 1.660 0.030 . 1 . . . . 71 LEU HG . 11180 1 830 . 1 1 71 71 LEU C C 13 178.126 0.300 . 1 . . . . 71 LEU C . 11180 1 831 . 1 1 71 71 LEU CA C 13 54.900 0.300 . 1 . . . . 71 LEU CA . 11180 1 832 . 1 1 71 71 LEU CB C 13 43.762 0.300 . 1 . . . . 71 LEU CB . 11180 1 833 . 1 1 71 71 LEU CD1 C 13 25.120 0.300 . 2 . . . . 71 LEU CD1 . 11180 1 834 . 1 1 71 71 LEU CD2 C 13 22.384 0.300 . 2 . . . . 71 LEU CD2 . 11180 1 835 . 1 1 71 71 LEU CG C 13 26.973 0.300 . 1 . . . . 71 LEU CG . 11180 1 836 . 1 1 71 71 LEU N N 15 119.539 0.300 . 1 . . . . 71 LEU N . 11180 1 837 . 1 1 72 72 VAL H H 1 9.479 0.030 . 1 . . . . 72 VAL H . 11180 1 838 . 1 1 72 72 VAL HA H 1 5.058 0.030 . 1 . . . . 72 VAL HA . 11180 1 839 . 1 1 72 72 VAL HB H 1 2.016 0.030 . 1 . . . . 72 VAL HB . 11180 1 840 . 1 1 72 72 VAL HG11 H 1 1.003 0.030 . 1 . . . . 72 VAL HG1 . 11180 1 841 . 1 1 72 72 VAL HG12 H 1 1.003 0.030 . 1 . . . . 72 VAL HG1 . 11180 1 842 . 1 1 72 72 VAL HG13 H 1 1.003 0.030 . 1 . . . . 72 VAL HG1 . 11180 1 843 . 1 1 72 72 VAL HG21 H 1 1.021 0.030 . 1 . . . . 72 VAL HG2 . 11180 1 844 . 1 1 72 72 VAL HG22 H 1 1.021 0.030 . 1 . . . . 72 VAL HG2 . 11180 1 845 . 1 1 72 72 VAL HG23 H 1 1.021 0.030 . 1 . . . . 72 VAL HG2 . 11180 1 846 . 1 1 72 72 VAL C C 13 173.768 0.300 . 1 . . . . 72 VAL C . 11180 1 847 . 1 1 72 72 VAL CA C 13 58.154 0.300 . 1 . . . . 72 VAL CA . 11180 1 848 . 1 1 72 72 VAL CB C 13 36.728 0.300 . 1 . . . . 72 VAL CB . 11180 1 849 . 1 1 72 72 VAL CG1 C 13 21.878 0.300 . 2 . . . . 72 VAL CG1 . 11180 1 850 . 1 1 72 72 VAL CG2 C 13 22.650 0.300 . 2 . . . . 72 VAL CG2 . 11180 1 851 . 1 1 72 72 VAL N N 15 118.914 0.300 . 1 . . . . 72 VAL N . 11180 1 852 . 1 1 73 73 PRO HA H 1 4.024 0.030 . 1 . . . . 73 PRO HA . 11180 1 853 . 1 1 73 73 PRO HB2 H 1 1.511 0.030 . 2 . . . . 73 PRO HB2 . 11180 1 854 . 1 1 73 73 PRO HB3 H 1 1.820 0.030 . 2 . . . . 73 PRO HB3 . 11180 1 855 . 1 1 73 73 PRO HD2 H 1 3.362 0.030 . 2 . . . . 73 PRO HD2 . 11180 1 856 . 1 1 73 73 PRO HD3 H 1 3.938 0.030 . 2 . . . . 73 PRO HD3 . 11180 1 857 . 1 1 73 73 PRO HG2 H 1 1.213 0.030 . 2 . . . . 73 PRO HG2 . 11180 1 858 . 1 1 73 73 PRO HG3 H 1 1.387 0.030 . 2 . . . . 73 PRO HG3 . 11180 1 859 . 1 1 73 73 PRO CA C 13 63.073 0.300 . 1 . . . . 73 PRO CA . 11180 1 860 . 1 1 73 73 PRO CB C 13 31.385 0.300 . 1 . . . . 73 PRO CB . 11180 1 861 . 1 1 73 73 PRO CD C 13 51.765 0.300 . 1 . . . . 73 PRO CD . 11180 1 862 . 1 1 73 73 PRO CG C 13 27.469 0.300 . 1 . . . . 73 PRO CG . 11180 1 863 . 1 1 74 74 SER H H 1 8.379 0.030 . 1 . . . . 74 SER H . 11180 1 864 . 1 1 74 74 SER HA H 1 4.068 0.030 . 1 . . . . 74 SER HA . 11180 1 865 . 1 1 74 74 SER HB2 H 1 3.445 0.030 . 2 . . . . 74 SER HB2 . 11180 1 866 . 1 1 74 74 SER HB3 H 1 3.746 0.030 . 2 . . . . 74 SER HB3 . 11180 1 867 . 1 1 74 74 SER C C 13 175.739 0.300 . 1 . . . . 74 SER C . 11180 1 868 . 1 1 74 74 SER CA C 13 61.398 0.300 . 1 . . . . 74 SER CA . 11180 1 869 . 1 1 74 74 SER CB C 13 63.262 0.300 . 1 . . . . 74 SER CB . 11180 1 870 . 1 1 74 74 SER N N 15 119.172 0.300 . 1 . . . . 74 SER N . 11180 1 871 . 1 1 75 75 ASN H H 1 8.489 0.030 . 1 . . . . 75 ASN H . 11180 1 872 . 1 1 75 75 ASN HA H 1 4.711 0.030 . 1 . . . . 75 ASN HA . 11180 1 873 . 1 1 75 75 ASN HB2 H 1 2.683 0.030 . 2 . . . . 75 ASN HB2 . 11180 1 874 . 1 1 75 75 ASN HB3 H 1 2.793 0.030 . 2 . . . . 75 ASN HB3 . 11180 1 875 . 1 1 75 75 ASN HD21 H 1 6.641 0.030 . 2 . . . . 75 ASN HD21 . 11180 1 876 . 1 1 75 75 ASN HD22 H 1 7.391 0.030 . 2 . . . . 75 ASN HD22 . 11180 1 877 . 1 1 75 75 ASN C C 13 175.349 0.300 . 1 . . . . 75 ASN C . 11180 1 878 . 1 1 75 75 ASN CA C 13 54.253 0.300 . 1 . . . . 75 ASN CA . 11180 1 879 . 1 1 75 75 ASN CB C 13 37.130 0.300 . 1 . . . . 75 ASN CB . 11180 1 880 . 1 1 75 75 ASN N N 15 115.558 0.300 . 1 . . . . 75 ASN N . 11180 1 881 . 1 1 75 75 ASN ND2 N 15 112.850 0.300 . 1 . . . . 75 ASN ND2 . 11180 1 882 . 1 1 76 76 PHE H H 1 7.948 0.030 . 1 . . . . 76 PHE H . 11180 1 883 . 1 1 76 76 PHE HA H 1 4.643 0.030 . 1 . . . . 76 PHE HA . 11180 1 884 . 1 1 76 76 PHE HB2 H 1 2.974 0.030 . 2 . . . . 76 PHE HB2 . 11180 1 885 . 1 1 76 76 PHE HB3 H 1 3.443 0.030 . 2 . . . . 76 PHE HB3 . 11180 1 886 . 1 1 76 76 PHE HD1 H 1 6.969 0.030 . 1 . . . . 76 PHE HD1 . 11180 1 887 . 1 1 76 76 PHE HD2 H 1 6.969 0.030 . 1 . . . . 76 PHE HD2 . 11180 1 888 . 1 1 76 76 PHE HE1 H 1 6.979 0.030 . 1 . . . . 76 PHE HE1 . 11180 1 889 . 1 1 76 76 PHE HE2 H 1 6.979 0.030 . 1 . . . . 76 PHE HE2 . 11180 1 890 . 1 1 76 76 PHE HZ H 1 7.129 0.030 . 1 . . . . 76 PHE HZ . 11180 1 891 . 1 1 76 76 PHE C C 13 175.319 0.300 . 1 . . . . 76 PHE C . 11180 1 892 . 1 1 76 76 PHE CA C 13 57.790 0.300 . 1 . . . . 76 PHE CA . 11180 1 893 . 1 1 76 76 PHE CB C 13 39.523 0.300 . 1 . . . . 76 PHE CB . 11180 1 894 . 1 1 76 76 PHE CD1 C 13 129.900 0.300 . 1 . . . . 76 PHE CD1 . 11180 1 895 . 1 1 76 76 PHE CD2 C 13 129.900 0.300 . 1 . . . . 76 PHE CD2 . 11180 1 896 . 1 1 76 76 PHE CE1 C 13 131.395 0.300 . 1 . . . . 76 PHE CE1 . 11180 1 897 . 1 1 76 76 PHE CE2 C 13 131.395 0.300 . 1 . . . . 76 PHE CE2 . 11180 1 898 . 1 1 76 76 PHE CZ C 13 129.850 0.300 . 1 . . . . 76 PHE CZ . 11180 1 899 . 1 1 76 76 PHE N N 15 116.036 0.300 . 1 . . . . 76 PHE N . 11180 1 900 . 1 1 77 77 VAL H H 1 7.317 0.030 . 1 . . . . 77 VAL H . 11180 1 901 . 1 1 77 77 VAL HA H 1 5.053 0.030 . 1 . . . . 77 VAL HA . 11180 1 902 . 1 1 77 77 VAL HB H 1 1.705 0.030 . 1 . . . . 77 VAL HB . 11180 1 903 . 1 1 77 77 VAL HG11 H 1 0.667 0.030 . 1 . . . . 77 VAL HG1 . 11180 1 904 . 1 1 77 77 VAL HG12 H 1 0.667 0.030 . 1 . . . . 77 VAL HG1 . 11180 1 905 . 1 1 77 77 VAL HG13 H 1 0.667 0.030 . 1 . . . . 77 VAL HG1 . 11180 1 906 . 1 1 77 77 VAL HG21 H 1 0.736 0.030 . 1 . . . . 77 VAL HG2 . 11180 1 907 . 1 1 77 77 VAL HG22 H 1 0.736 0.030 . 1 . . . . 77 VAL HG2 . 11180 1 908 . 1 1 77 77 VAL HG23 H 1 0.736 0.030 . 1 . . . . 77 VAL HG2 . 11180 1 909 . 1 1 77 77 VAL C C 13 173.128 0.300 . 1 . . . . 77 VAL C . 11180 1 910 . 1 1 77 77 VAL CA C 13 59.266 0.300 . 1 . . . . 77 VAL CA . 11180 1 911 . 1 1 77 77 VAL CB C 13 36.001 0.300 . 1 . . . . 77 VAL CB . 11180 1 912 . 1 1 77 77 VAL CG1 C 13 23.145 0.300 . 2 . . . . 77 VAL CG1 . 11180 1 913 . 1 1 77 77 VAL CG2 C 13 18.510 0.300 . 2 . . . . 77 VAL CG2 . 11180 1 914 . 1 1 77 77 VAL N N 15 110.712 0.300 . 1 . . . . 77 VAL N . 11180 1 915 . 1 1 78 78 ASP H H 1 8.403 0.030 . 1 . . . . 78 ASP H . 11180 1 916 . 1 1 78 78 ASP HA H 1 5.053 0.030 . 1 . . . . 78 ASP HA . 11180 1 917 . 1 1 78 78 ASP HB2 H 1 2.245 0.030 . 2 . . . . 78 ASP HB2 . 11180 1 918 . 1 1 78 78 ASP HB3 H 1 2.522 0.030 . 2 . . . . 78 ASP HB3 . 11180 1 919 . 1 1 78 78 ASP C C 13 175.757 0.300 . 1 . . . . 78 ASP C . 11180 1 920 . 1 1 78 78 ASP CA C 13 52.685 0.300 . 1 . . . . 78 ASP CA . 11180 1 921 . 1 1 78 78 ASP CB C 13 44.225 0.300 . 1 . . . . 78 ASP CB . 11180 1 922 . 1 1 78 78 ASP N N 15 119.544 0.300 . 1 . . . . 78 ASP N . 11180 1 923 . 1 1 79 79 PHE H H 1 8.938 0.030 . 1 . . . . 79 PHE H . 11180 1 924 . 1 1 79 79 PHE HA H 1 4.760 0.030 . 1 . . . . 79 PHE HA . 11180 1 925 . 1 1 79 79 PHE HB2 H 1 2.955 0.030 . 2 . . . . 79 PHE HB2 . 11180 1 926 . 1 1 79 79 PHE HB3 H 1 3.047 0.030 . 2 . . . . 79 PHE HB3 . 11180 1 927 . 1 1 79 79 PHE HD1 H 1 7.098 0.030 . 1 . . . . 79 PHE HD1 . 11180 1 928 . 1 1 79 79 PHE HD2 H 1 7.098 0.030 . 1 . . . . 79 PHE HD2 . 11180 1 929 . 1 1 79 79 PHE HE1 H 1 6.711 0.030 . 1 . . . . 79 PHE HE1 . 11180 1 930 . 1 1 79 79 PHE HE2 H 1 6.711 0.030 . 1 . . . . 79 PHE HE2 . 11180 1 931 . 1 1 79 79 PHE HZ H 1 6.614 0.030 . 1 . . . . 79 PHE HZ . 11180 1 932 . 1 1 79 79 PHE C C 13 176.524 0.300 . 1 . . . . 79 PHE C . 11180 1 933 . 1 1 79 79 PHE CA C 13 57.744 0.300 . 1 . . . . 79 PHE CA . 11180 1 934 . 1 1 79 79 PHE CB C 13 38.627 0.300 . 1 . . . . 79 PHE CB . 11180 1 935 . 1 1 79 79 PHE CD1 C 13 130.735 0.300 . 1 . . . . 79 PHE CD1 . 11180 1 936 . 1 1 79 79 PHE CD2 C 13 130.735 0.300 . 1 . . . . 79 PHE CD2 . 11180 1 937 . 1 1 79 79 PHE CE1 C 13 130.552 0.300 . 1 . . . . 79 PHE CE1 . 11180 1 938 . 1 1 79 79 PHE CE2 C 13 130.552 0.300 . 1 . . . . 79 PHE CE2 . 11180 1 939 . 1 1 79 79 PHE CZ C 13 129.454 0.300 . 1 . . . . 79 PHE CZ . 11180 1 940 . 1 1 79 79 PHE N N 15 122.765 0.300 . 1 . . . . 79 PHE N . 11180 1 941 . 1 1 80 80 VAL H H 1 8.311 0.030 . 1 . . . . 80 VAL H . 11180 1 942 . 1 1 80 80 VAL HA H 1 4.106 0.030 . 1 . . . . 80 VAL HA . 11180 1 943 . 1 1 80 80 VAL HB H 1 1.897 0.030 . 1 . . . . 80 VAL HB . 11180 1 944 . 1 1 80 80 VAL HG11 H 1 0.853 0.030 . 1 . . . . 80 VAL HG1 . 11180 1 945 . 1 1 80 80 VAL HG12 H 1 0.853 0.030 . 1 . . . . 80 VAL HG1 . 11180 1 946 . 1 1 80 80 VAL HG13 H 1 0.853 0.030 . 1 . . . . 80 VAL HG1 . 11180 1 947 . 1 1 80 80 VAL HG21 H 1 0.949 0.030 . 1 . . . . 80 VAL HG2 . 11180 1 948 . 1 1 80 80 VAL HG22 H 1 0.949 0.030 . 1 . . . . 80 VAL HG2 . 11180 1 949 . 1 1 80 80 VAL HG23 H 1 0.949 0.030 . 1 . . . . 80 VAL HG2 . 11180 1 950 . 1 1 80 80 VAL C C 13 176.136 0.300 . 1 . . . . 80 VAL C . 11180 1 951 . 1 1 80 80 VAL CA C 13 62.659 0.300 . 1 . . . . 80 VAL CA . 11180 1 952 . 1 1 80 80 VAL CB C 13 32.662 0.300 . 1 . . . . 80 VAL CB . 11180 1 953 . 1 1 80 80 VAL CG1 C 13 21.510 0.300 . 2 . . . . 80 VAL CG1 . 11180 1 954 . 1 1 80 80 VAL CG2 C 13 21.534 0.300 . 2 . . . . 80 VAL CG2 . 11180 1 955 . 1 1 80 80 VAL N N 15 122.750 0.300 . 1 . . . . 80 VAL N . 11180 1 956 . 1 1 81 81 GLN H H 1 8.774 0.030 . 1 . . . . 81 GLN H . 11180 1 957 . 1 1 81 81 GLN HA H 1 4.432 0.030 . 1 . . . . 81 GLN HA . 11180 1 958 . 1 1 81 81 GLN HB2 H 1 2.014 0.030 . 2 . . . . 81 GLN HB2 . 11180 1 959 . 1 1 81 81 GLN HB3 H 1 2.169 0.030 . 2 . . . . 81 GLN HB3 . 11180 1 960 . 1 1 81 81 GLN HE21 H 1 6.885 0.030 . 2 . . . . 81 GLN HE21 . 11180 1 961 . 1 1 81 81 GLN HE22 H 1 7.575 0.030 . 2 . . . . 81 GLN HE22 . 11180 1 962 . 1 1 81 81 GLN HG2 H 1 2.412 0.030 . 1 . . . . 81 GLN HG2 . 11180 1 963 . 1 1 81 81 GLN HG3 H 1 2.412 0.030 . 1 . . . . 81 GLN HG3 . 11180 1 964 . 1 1 81 81 GLN C C 13 175.579 0.300 . 1 . . . . 81 GLN C . 11180 1 965 . 1 1 81 81 GLN CA C 13 55.856 0.300 . 1 . . . . 81 GLN CA . 11180 1 966 . 1 1 81 81 GLN CB C 13 29.815 0.300 . 1 . . . . 81 GLN CB . 11180 1 967 . 1 1 81 81 GLN CG C 13 33.884 0.300 . 1 . . . . 81 GLN CG . 11180 1 968 . 1 1 81 81 GLN N N 15 125.007 0.300 . 1 . . . . 81 GLN N . 11180 1 969 . 1 1 81 81 GLN NE2 N 15 112.538 0.300 . 1 . . . . 81 GLN NE2 . 11180 1 970 . 1 1 82 82 ASP H H 1 8.481 0.030 . 1 . . . . 82 ASP H . 11180 1 971 . 1 1 82 82 ASP HA H 1 4.606 0.030 . 1 . . . . 82 ASP HA . 11180 1 972 . 1 1 82 82 ASP HB2 H 1 2.696 0.030 . 2 . . . . 82 ASP HB2 . 11180 1 973 . 1 1 82 82 ASP HB3 H 1 2.730 0.030 . 2 . . . . 82 ASP HB3 . 11180 1 974 . 1 1 82 82 ASP C C 13 176.165 0.300 . 1 . . . . 82 ASP C . 11180 1 975 . 1 1 82 82 ASP CA C 13 54.590 0.300 . 1 . . . . 82 ASP CA . 11180 1 976 . 1 1 82 82 ASP CB C 13 41.299 0.300 . 1 . . . . 82 ASP CB . 11180 1 977 . 1 1 82 82 ASP N N 15 121.685 0.300 . 1 . . . . 82 ASP N . 11180 1 978 . 1 1 83 83 ASN H H 1 8.494 0.030 . 1 . . . . 83 ASN H . 11180 1 979 . 1 1 83 83 ASN HA H 1 4.630 0.030 . 1 . . . . 83 ASN HA . 11180 1 980 . 1 1 83 83 ASN HB2 H 1 2.805 0.030 . 1 . . . . 83 ASN HB2 . 11180 1 981 . 1 1 83 83 ASN HB3 H 1 2.805 0.030 . 1 . . . . 83 ASN HB3 . 11180 1 982 . 1 1 83 83 ASN HD21 H 1 6.935 0.030 . 2 . . . . 83 ASN HD21 . 11180 1 983 . 1 1 83 83 ASN HD22 H 1 7.621 0.030 . 2 . . . . 83 ASN HD22 . 11180 1 984 . 1 1 83 83 ASN C C 13 175.701 0.300 . 1 . . . . 83 ASN C . 11180 1 985 . 1 1 83 83 ASN CA C 13 53.965 0.300 . 1 . . . . 83 ASN CA . 11180 1 986 . 1 1 83 83 ASN CB C 13 38.919 0.300 . 1 . . . . 83 ASN CB . 11180 1 987 . 1 1 83 83 ASN N N 15 118.722 0.300 . 1 . . . . 83 ASN N . 11180 1 988 . 1 1 83 83 ASN ND2 N 15 113.049 0.300 . 1 . . . . 83 ASN ND2 . 11180 1 989 . 1 1 84 84 GLU H H 1 8.410 0.030 . 1 . . . . 84 GLU H . 11180 1 990 . 1 1 84 84 GLU HA H 1 4.233 0.030 . 1 . . . . 84 GLU HA . 11180 1 991 . 1 1 84 84 GLU HB2 H 1 2.003 0.030 . 2 . . . . 84 GLU HB2 . 11180 1 992 . 1 1 84 84 GLU HB3 H 1 2.084 0.030 . 2 . . . . 84 GLU HB3 . 11180 1 993 . 1 1 84 84 GLU HG2 H 1 2.258 0.030 . 2 . . . . 84 GLU HG2 . 11180 1 994 . 1 1 84 84 GLU HG3 H 1 2.304 0.030 . 2 . . . . 84 GLU HG3 . 11180 1 995 . 1 1 84 84 GLU C C 13 176.970 0.300 . 1 . . . . 84 GLU C . 11180 1 996 . 1 1 84 84 GLU CA C 13 57.398 0.300 . 1 . . . . 84 GLU CA . 11180 1 997 . 1 1 84 84 GLU CB C 13 29.996 0.300 . 1 . . . . 84 GLU CB . 11180 1 998 . 1 1 84 84 GLU CG C 13 36.401 0.300 . 1 . . . . 84 GLU CG . 11180 1 999 . 1 1 84 84 GLU N N 15 120.395 0.300 . 1 . . . . 84 GLU N . 11180 1 1000 . 1 1 85 85 SER H H 1 8.265 0.030 . 1 . . . . 85 SER H . 11180 1 1001 . 1 1 85 85 SER HA H 1 4.355 0.030 . 1 . . . . 85 SER HA . 11180 1 1002 . 1 1 85 85 SER HB2 H 1 3.865 0.030 . 1 . . . . 85 SER HB2 . 11180 1 1003 . 1 1 85 85 SER HB3 H 1 3.865 0.030 . 1 . . . . 85 SER HB3 . 11180 1 1004 . 1 1 85 85 SER C C 13 174.997 0.300 . 1 . . . . 85 SER C . 11180 1 1005 . 1 1 85 85 SER CA C 13 59.085 0.300 . 1 . . . . 85 SER CA . 11180 1 1006 . 1 1 85 85 SER CB C 13 63.431 0.300 . 1 . . . . 85 SER CB . 11180 1 1007 . 1 1 85 85 SER N N 15 116.273 0.300 . 1 . . . . 85 SER N . 11180 1 1008 . 1 1 86 86 ARG H H 1 8.223 0.030 . 1 . . . . 86 ARG H . 11180 1 1009 . 1 1 86 86 ARG HA H 1 4.301 0.030 . 1 . . . . 86 ARG HA . 11180 1 1010 . 1 1 86 86 ARG HB2 H 1 1.746 0.030 . 2 . . . . 86 ARG HB2 . 11180 1 1011 . 1 1 86 86 ARG HB3 H 1 1.849 0.030 . 2 . . . . 86 ARG HB3 . 11180 1 1012 . 1 1 86 86 ARG HD2 H 1 3.130 0.030 . 1 . . . . 86 ARG HD2 . 11180 1 1013 . 1 1 86 86 ARG HD3 H 1 3.130 0.030 . 1 . . . . 86 ARG HD3 . 11180 1 1014 . 1 1 86 86 ARG HE H 1 7.230 0.030 . 1 . . . . 86 ARG HE . 11180 1 1015 . 1 1 86 86 ARG HG2 H 1 1.585 0.030 . 1 . . . . 86 ARG HG2 . 11180 1 1016 . 1 1 86 86 ARG HG3 H 1 1.585 0.030 . 1 . . . . 86 ARG HG3 . 11180 1 1017 . 1 1 86 86 ARG C C 13 176.544 0.300 . 1 . . . . 86 ARG C . 11180 1 1018 . 1 1 86 86 ARG CA C 13 56.549 0.300 . 1 . . . . 86 ARG CA . 11180 1 1019 . 1 1 86 86 ARG CB C 13 30.553 0.300 . 1 . . . . 86 ARG CB . 11180 1 1020 . 1 1 86 86 ARG CD C 13 43.275 0.300 . 1 . . . . 86 ARG CD . 11180 1 1021 . 1 1 86 86 ARG CG C 13 27.239 0.300 . 1 . . . . 86 ARG CG . 11180 1 1022 . 1 1 86 86 ARG N N 15 122.612 0.300 . 1 . . . . 86 ARG N . 11180 1 1023 . 1 1 86 86 ARG NE N 15 84.598 0.300 . 1 . . . . 86 ARG NE . 11180 1 1024 . 1 1 87 87 LEU H H 1 8.098 0.030 . 1 . . . . 87 LEU H . 11180 1 1025 . 1 1 87 87 LEU HA H 1 4.286 0.030 . 1 . . . . 87 LEU HA . 11180 1 1026 . 1 1 87 87 LEU HB2 H 1 1.555 0.030 . 2 . . . . 87 LEU HB2 . 11180 1 1027 . 1 1 87 87 LEU HB3 H 1 1.619 0.030 . 2 . . . . 87 LEU HB3 . 11180 1 1028 . 1 1 87 87 LEU HD11 H 1 0.873 0.030 . 1 . . . . 87 LEU HD1 . 11180 1 1029 . 1 1 87 87 LEU HD12 H 1 0.873 0.030 . 1 . . . . 87 LEU HD1 . 11180 1 1030 . 1 1 87 87 LEU HD13 H 1 0.873 0.030 . 1 . . . . 87 LEU HD1 . 11180 1 1031 . 1 1 87 87 LEU HD21 H 1 0.820 0.030 . 1 . . . . 87 LEU HD2 . 11180 1 1032 . 1 1 87 87 LEU HD22 H 1 0.820 0.030 . 1 . . . . 87 LEU HD2 . 11180 1 1033 . 1 1 87 87 LEU HD23 H 1 0.820 0.030 . 1 . . . . 87 LEU HD2 . 11180 1 1034 . 1 1 87 87 LEU HG H 1 1.592 0.030 . 1 . . . . 87 LEU HG . 11180 1 1035 . 1 1 87 87 LEU C C 13 177.312 0.300 . 1 . . . . 87 LEU C . 11180 1 1036 . 1 1 87 87 LEU CA C 13 55.308 0.300 . 1 . . . . 87 LEU CA . 11180 1 1037 . 1 1 87 87 LEU CB C 13 42.275 0.300 . 1 . . . . 87 LEU CB . 11180 1 1038 . 1 1 87 87 LEU CD1 C 13 25.050 0.300 . 2 . . . . 87 LEU CD1 . 11180 1 1039 . 1 1 87 87 LEU CD2 C 13 23.406 0.300 . 2 . . . . 87 LEU CD2 . 11180 1 1040 . 1 1 87 87 LEU CG C 13 27.020 0.300 . 1 . . . . 87 LEU CG . 11180 1 1041 . 1 1 87 87 LEU N N 15 122.190 0.300 . 1 . . . . 87 LEU N . 11180 1 1042 . 1 1 88 88 ALA H H 1 8.160 0.030 . 1 . . . . 88 ALA H . 11180 1 1043 . 1 1 88 88 ALA HA H 1 4.307 0.030 . 1 . . . . 88 ALA HA . 11180 1 1044 . 1 1 88 88 ALA HB1 H 1 1.392 0.030 . 1 . . . . 88 ALA HB . 11180 1 1045 . 1 1 88 88 ALA HB2 H 1 1.392 0.030 . 1 . . . . 88 ALA HB . 11180 1 1046 . 1 1 88 88 ALA HB3 H 1 1.392 0.030 . 1 . . . . 88 ALA HB . 11180 1 1047 . 1 1 88 88 ALA C C 13 177.849 0.300 . 1 . . . . 88 ALA C . 11180 1 1048 . 1 1 88 88 ALA CA C 13 52.702 0.300 . 1 . . . . 88 ALA CA . 11180 1 1049 . 1 1 88 88 ALA CB C 13 19.270 0.300 . 1 . . . . 88 ALA CB . 11180 1 1050 . 1 1 88 88 ALA N N 15 124.224 0.300 . 1 . . . . 88 ALA N . 11180 1 1051 . 1 1 89 89 SER H H 1 8.201 0.030 . 1 . . . . 89 SER H . 11180 1 1052 . 1 1 89 89 SER HA H 1 4.499 0.030 . 1 . . . . 89 SER HA . 11180 1 1053 . 1 1 89 89 SER HB2 H 1 3.867 0.030 . 2 . . . . 89 SER HB2 . 11180 1 1054 . 1 1 89 89 SER HB3 H 1 3.921 0.030 . 2 . . . . 89 SER HB3 . 11180 1 1055 . 1 1 89 89 SER C C 13 175.029 0.300 . 1 . . . . 89 SER C . 11180 1 1056 . 1 1 89 89 SER CA C 13 58.377 0.300 . 1 . . . . 89 SER CA . 11180 1 1057 . 1 1 89 89 SER CB C 13 63.825 0.300 . 1 . . . . 89 SER CB . 11180 1 1058 . 1 1 89 89 SER N N 15 114.555 0.300 . 1 . . . . 89 SER N . 11180 1 1059 . 1 1 90 90 THR H H 1 8.145 0.030 . 1 . . . . 90 THR H . 11180 1 1060 . 1 1 90 90 THR HA H 1 4.435 0.030 . 1 . . . . 90 THR HA . 11180 1 1061 . 1 1 90 90 THR HB H 1 4.322 0.030 . 1 . . . . 90 THR HB . 11180 1 1062 . 1 1 90 90 THR HG21 H 1 1.194 0.030 . 1 . . . . 90 THR HG2 . 11180 1 1063 . 1 1 90 90 THR HG22 H 1 1.194 0.030 . 1 . . . . 90 THR HG2 . 11180 1 1064 . 1 1 90 90 THR HG23 H 1 1.194 0.030 . 1 . . . . 90 THR HG2 . 11180 1 1065 . 1 1 90 90 THR C C 13 174.620 0.300 . 1 . . . . 90 THR C . 11180 1 1066 . 1 1 90 90 THR CA C 13 61.776 0.300 . 1 . . . . 90 THR CA . 11180 1 1067 . 1 1 90 90 THR CB C 13 69.778 0.300 . 1 . . . . 90 THR CB . 11180 1 1068 . 1 1 90 90 THR CG2 C 13 21.623 0.300 . 1 . . . . 90 THR CG2 . 11180 1 1069 . 1 1 90 90 THR N N 15 115.082 0.300 . 1 . . . . 90 THR N . 11180 1 1070 . 1 1 91 91 SER H H 1 8.264 0.030 . 1 . . . . 91 SER H . 11180 1 1071 . 1 1 91 91 SER HA H 1 4.526 0.030 . 1 . . . . 91 SER HA . 11180 1 1072 . 1 1 91 91 SER HB2 H 1 3.870 0.030 . 1 . . . . 91 SER HB2 . 11180 1 1073 . 1 1 91 91 SER HB3 H 1 3.870 0.030 . 1 . . . . 91 SER HB3 . 11180 1 1074 . 1 1 91 91 SER C C 13 174.461 0.300 . 1 . . . . 91 SER C . 11180 1 1075 . 1 1 91 91 SER CA C 13 58.412 0.300 . 1 . . . . 91 SER CA . 11180 1 1076 . 1 1 91 91 SER CB C 13 64.023 0.300 . 1 . . . . 91 SER CB . 11180 1 1077 . 1 1 91 91 SER N N 15 117.654 0.300 . 1 . . . . 91 SER N . 11180 1 1078 . 1 1 92 92 GLY H H 1 8.214 0.030 . 1 . . . . 92 GLY H . 11180 1 1079 . 1 1 92 92 GLY HA2 H 1 4.130 0.030 . 1 . . . . 92 GLY HA2 . 11180 1 1080 . 1 1 92 92 GLY HA3 H 1 4.130 0.030 . 1 . . . . 92 GLY HA3 . 11180 1 1081 . 1 1 92 92 GLY C C 13 171.747 0.300 . 1 . . . . 92 GLY C . 11180 1 1082 . 1 1 92 92 GLY CA C 13 44.752 0.300 . 1 . . . . 92 GLY CA . 11180 1 1083 . 1 1 92 92 GLY N N 15 110.663 0.300 . 1 . . . . 92 GLY N . 11180 1 1084 . 1 1 93 93 PRO HA H 1 4.459 0.030 . 1 . . . . 93 PRO HA . 11180 1 1085 . 1 1 93 93 PRO HB2 H 1 1.960 0.030 . 2 . . . . 93 PRO HB2 . 11180 1 1086 . 1 1 93 93 PRO HB3 H 1 2.264 0.030 . 2 . . . . 93 PRO HB3 . 11180 1 1087 . 1 1 93 93 PRO HD2 H 1 3.562 0.030 . 2 . . . . 93 PRO HD2 . 11180 1 1088 . 1 1 93 93 PRO HD3 H 1 3.608 0.030 . 2 . . . . 93 PRO HD3 . 11180 1 1089 . 1 1 93 93 PRO C C 13 177.366 0.300 . 1 . . . . 93 PRO C . 11180 1 1090 . 1 1 93 93 PRO CA C 13 63.256 0.300 . 1 . . . . 93 PRO CA . 11180 1 1091 . 1 1 93 93 PRO CB C 13 32.200 0.300 . 1 . . . . 93 PRO CB . 11180 1 1092 . 1 1 93 93 PRO CD C 13 49.792 0.300 . 1 . . . . 93 PRO CD . 11180 1 1093 . 1 1 93 93 PRO CG C 13 27.391 0.300 . 1 . . . . 93 PRO CG . 11180 1 1094 . 1 1 94 94 SER H H 1 8.518 0.030 . 1 . . . . 94 SER H . 11180 1 1095 . 1 1 94 94 SER HA H 1 4.499 0.030 . 1 . . . . 94 SER HA . 11180 1 1096 . 1 1 94 94 SER HB2 H 1 3.863 0.030 . 2 . . . . 94 SER HB2 . 11180 1 1097 . 1 1 94 94 SER HB3 H 1 3.922 0.030 . 2 . . . . 94 SER HB3 . 11180 1 1098 . 1 1 94 94 SER C C 13 174.661 0.300 . 1 . . . . 94 SER C . 11180 1 1099 . 1 1 94 94 SER CA C 13 58.397 0.300 . 1 . . . . 94 SER CA . 11180 1 1100 . 1 1 94 94 SER CB C 13 63.780 0.300 . 1 . . . . 94 SER CB . 11180 1 1101 . 1 1 94 94 SER N N 15 116.399 0.300 . 1 . . . . 94 SER N . 11180 1 1102 . 1 1 95 95 SER H H 1 8.315 0.030 . 1 . . . . 95 SER H . 11180 1 1103 . 1 1 95 95 SER HA H 1 4.487 0.030 . 1 . . . . 95 SER HA . 11180 1 1104 . 1 1 95 95 SER HB2 H 1 3.893 0.030 . 1 . . . . 95 SER HB2 . 11180 1 1105 . 1 1 95 95 SER HB3 H 1 3.893 0.030 . 1 . . . . 95 SER HB3 . 11180 1 1106 . 1 1 95 95 SER C C 13 173.935 0.300 . 1 . . . . 95 SER C . 11180 1 1107 . 1 1 95 95 SER CA C 13 58.543 0.300 . 1 . . . . 95 SER CA . 11180 1 1108 . 1 1 95 95 SER CB C 13 64.129 0.300 . 1 . . . . 95 SER CB . 11180 1 1109 . 1 1 95 95 SER N N 15 117.842 0.300 . 1 . . . . 95 SER N . 11180 1 1110 . 1 1 96 96 GLY H H 1 8.040 0.030 . 1 . . . . 96 GLY H . 11180 1 1111 . 1 1 96 96 GLY HA2 H 1 3.795 0.030 . 1 . . . . 96 GLY HA2 . 11180 1 1112 . 1 1 96 96 GLY HA3 H 1 3.795 0.030 . 1 . . . . 96 GLY HA3 . 11180 1 1113 . 1 1 96 96 GLY C C 13 178.981 0.300 . 1 . . . . 96 GLY C . 11180 1 1114 . 1 1 96 96 GLY CA C 13 46.239 0.300 . 1 . . . . 96 GLY CA . 11180 1 1115 . 1 1 96 96 GLY N N 15 116.850 0.300 . 1 . . . . 96 GLY N . 11180 1 stop_ save_