data_11184 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11184 _Entry.Title ; Solution structure of the second SH3 domain of human RIM-binding protein 2 ; _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 . . . 11184 2 F. Hayashi . . . 11184 3 S. Yokoyama . . . 11184 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)' . 11184 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11184 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 378 11184 '15N chemical shifts' 86 11184 '1H chemical shifts' 583 11184 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 . 11184 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CSQ 'BMRB Entry Tracking System' 11184 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11184 _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 second SH3 domain of human RIM-binding protein 2' _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 . . . 11184 1 2 F. Hayashi . . . 11184 1 3 S. Yokoyama . . . 11184 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11184 _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 . . . 11184 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 2csq . . . . . . 11184 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11184 _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 ; GSSGSSGTDPGAEELPARIF VALFDYDPLTMSPNPDAAEE ELPFKEGQIIKVYGDKDADG FYRGETCARLGLIPCNMVSE IQADDEEMMDQSGPSSG ; _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 97 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2CSQ . "Solution Structure Of The Second Sh3 Domain Of Human Rim- Binding Protein 2" . . . . . 100.00 97 100.00 100.00 2.46e-62 . . . . 11184 1 2 no GB EPY74387 . "RIMS-binding protein 2, partial [Camelus ferus]" . . . . . 88.66 898 97.67 97.67 6.33e-48 . . . . 11184 1 3 no REF XP_014422001 . "PREDICTED: LOW QUALITY PROTEIN: RIMS-binding protein 2, partial [Camelus ferus]" . . . . . 88.66 1237 97.67 97.67 6.73e-48 . . . . 11184 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11184 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 . 11184 1 2 . SER . 11184 1 3 . SER . 11184 1 4 . GLY . 11184 1 5 . SER . 11184 1 6 . SER . 11184 1 7 . GLY . 11184 1 8 . THR . 11184 1 9 . ASP . 11184 1 10 . PRO . 11184 1 11 . GLY . 11184 1 12 . ALA . 11184 1 13 . GLU . 11184 1 14 . GLU . 11184 1 15 . LEU . 11184 1 16 . PRO . 11184 1 17 . ALA . 11184 1 18 . ARG . 11184 1 19 . ILE . 11184 1 20 . PHE . 11184 1 21 . VAL . 11184 1 22 . ALA . 11184 1 23 . LEU . 11184 1 24 . PHE . 11184 1 25 . ASP . 11184 1 26 . TYR . 11184 1 27 . ASP . 11184 1 28 . PRO . 11184 1 29 . LEU . 11184 1 30 . THR . 11184 1 31 . MET . 11184 1 32 . SER . 11184 1 33 . PRO . 11184 1 34 . ASN . 11184 1 35 . PRO . 11184 1 36 . ASP . 11184 1 37 . ALA . 11184 1 38 . ALA . 11184 1 39 . GLU . 11184 1 40 . GLU . 11184 1 41 . GLU . 11184 1 42 . LEU . 11184 1 43 . PRO . 11184 1 44 . PHE . 11184 1 45 . LYS . 11184 1 46 . GLU . 11184 1 47 . GLY . 11184 1 48 . GLN . 11184 1 49 . ILE . 11184 1 50 . ILE . 11184 1 51 . LYS . 11184 1 52 . VAL . 11184 1 53 . TYR . 11184 1 54 . GLY . 11184 1 55 . ASP . 11184 1 56 . LYS . 11184 1 57 . ASP . 11184 1 58 . ALA . 11184 1 59 . ASP . 11184 1 60 . GLY . 11184 1 61 . PHE . 11184 1 62 . TYR . 11184 1 63 . ARG . 11184 1 64 . GLY . 11184 1 65 . GLU . 11184 1 66 . THR . 11184 1 67 . CYS . 11184 1 68 . ALA . 11184 1 69 . ARG . 11184 1 70 . LEU . 11184 1 71 . GLY . 11184 1 72 . LEU . 11184 1 73 . ILE . 11184 1 74 . PRO . 11184 1 75 . CYS . 11184 1 76 . ASN . 11184 1 77 . MET . 11184 1 78 . VAL . 11184 1 79 . SER . 11184 1 80 . GLU . 11184 1 81 . ILE . 11184 1 82 . GLN . 11184 1 83 . ALA . 11184 1 84 . ASP . 11184 1 85 . ASP . 11184 1 86 . GLU . 11184 1 87 . GLU . 11184 1 88 . MET . 11184 1 89 . MET . 11184 1 90 . ASP . 11184 1 91 . GLN . 11184 1 92 . SER . 11184 1 93 . GLY . 11184 1 94 . PRO . 11184 1 95 . SER . 11184 1 96 . SER . 11184 1 97 . GLY . 11184 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 11184 1 . SER 2 2 11184 1 . SER 3 3 11184 1 . GLY 4 4 11184 1 . SER 5 5 11184 1 . SER 6 6 11184 1 . GLY 7 7 11184 1 . THR 8 8 11184 1 . ASP 9 9 11184 1 . PRO 10 10 11184 1 . GLY 11 11 11184 1 . ALA 12 12 11184 1 . GLU 13 13 11184 1 . GLU 14 14 11184 1 . LEU 15 15 11184 1 . PRO 16 16 11184 1 . ALA 17 17 11184 1 . ARG 18 18 11184 1 . ILE 19 19 11184 1 . PHE 20 20 11184 1 . VAL 21 21 11184 1 . ALA 22 22 11184 1 . LEU 23 23 11184 1 . PHE 24 24 11184 1 . ASP 25 25 11184 1 . TYR 26 26 11184 1 . ASP 27 27 11184 1 . PRO 28 28 11184 1 . LEU 29 29 11184 1 . THR 30 30 11184 1 . MET 31 31 11184 1 . SER 32 32 11184 1 . PRO 33 33 11184 1 . ASN 34 34 11184 1 . PRO 35 35 11184 1 . ASP 36 36 11184 1 . ALA 37 37 11184 1 . ALA 38 38 11184 1 . GLU 39 39 11184 1 . GLU 40 40 11184 1 . GLU 41 41 11184 1 . LEU 42 42 11184 1 . PRO 43 43 11184 1 . PHE 44 44 11184 1 . LYS 45 45 11184 1 . GLU 46 46 11184 1 . GLY 47 47 11184 1 . GLN 48 48 11184 1 . ILE 49 49 11184 1 . ILE 50 50 11184 1 . LYS 51 51 11184 1 . VAL 52 52 11184 1 . TYR 53 53 11184 1 . GLY 54 54 11184 1 . ASP 55 55 11184 1 . LYS 56 56 11184 1 . ASP 57 57 11184 1 . ALA 58 58 11184 1 . ASP 59 59 11184 1 . GLY 60 60 11184 1 . PHE 61 61 11184 1 . TYR 62 62 11184 1 . ARG 63 63 11184 1 . GLY 64 64 11184 1 . GLU 65 65 11184 1 . THR 66 66 11184 1 . CYS 67 67 11184 1 . ALA 68 68 11184 1 . ARG 69 69 11184 1 . LEU 70 70 11184 1 . GLY 71 71 11184 1 . LEU 72 72 11184 1 . ILE 73 73 11184 1 . PRO 74 74 11184 1 . CYS 75 75 11184 1 . ASN 76 76 11184 1 . MET 77 77 11184 1 . VAL 78 78 11184 1 . SER 79 79 11184 1 . GLU 80 80 11184 1 . ILE 81 81 11184 1 . GLN 82 82 11184 1 . ALA 83 83 11184 1 . ASP 84 84 11184 1 . ASP 85 85 11184 1 . GLU 86 86 11184 1 . GLU 87 87 11184 1 . MET 88 88 11184 1 . MET 89 89 11184 1 . ASP 90 90 11184 1 . GLN 91 91 11184 1 . SER 92 92 11184 1 . GLY 93 93 11184 1 . PRO 94 94 11184 1 . SER 95 95 11184 1 . SER 96 96 11184 1 . GLY 97 97 11184 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 11184 _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 . . . . . . . . . . . . . . . . . . . . . 11184 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 11184 _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 . . P040705-05 . . . . . . 11184 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11184 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.01mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.01 . . mM . . . . 11184 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11184 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11184 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11184 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11184 1 6 H2O . . . . . . solvent 90 . . % . . . . 11184 1 7 D2O . . . . . . solvent 10 . . % . . . . 11184 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 11184 _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 11184 1 pH 7.0 0.05 pH 11184 1 pressure 1 0.001 atm 11184 1 temperature 298 0.1 K 11184 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11184 _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 . . 11184 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11184 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11184 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11184 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11184 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11184 _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.' . . 11184 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11184 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11184 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11184 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11184 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11184 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11184 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11184 5 'structure solution' 11184 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 11184 _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 11184 _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 . . . 11184 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 11184 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11184 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11184 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 11184 _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 . . . . . . . . . 11184 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11184 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11184 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 11184 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11184 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11184 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 . . 11184 1 2 $NMRPipe . . 11184 1 3 $NMRView . . 11184 1 4 $Kujira . . 11184 1 5 $CYANA . . 11184 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.510 0.030 . 1 . . . . 6 SER HA . 11184 1 2 . 1 1 6 6 SER HB2 H 1 3.910 0.030 . 1 . . . . 6 SER HB2 . 11184 1 3 . 1 1 6 6 SER HB3 H 1 3.910 0.030 . 1 . . . . 6 SER HB3 . 11184 1 4 . 1 1 6 6 SER C C 13 175.024 0.300 . 1 . . . . 6 SER C . 11184 1 5 . 1 1 6 6 SER CA C 13 58.653 0.300 . 1 . . . . 6 SER CA . 11184 1 6 . 1 1 6 6 SER CB C 13 63.891 0.300 . 1 . . . . 6 SER CB . 11184 1 7 . 1 1 7 7 GLY H H 1 8.436 0.030 . 1 . . . . 7 GLY H . 11184 1 8 . 1 1 7 7 GLY HA2 H 1 4.020 0.030 . 1 . . . . 7 GLY HA2 . 11184 1 9 . 1 1 7 7 GLY HA3 H 1 4.020 0.030 . 1 . . . . 7 GLY HA3 . 11184 1 10 . 1 1 7 7 GLY C C 13 174.225 0.300 . 1 . . . . 7 GLY C . 11184 1 11 . 1 1 7 7 GLY CA C 13 45.468 0.300 . 1 . . . . 7 GLY CA . 11184 1 12 . 1 1 7 7 GLY N N 15 110.797 0.300 . 1 . . . . 7 GLY N . 11184 1 13 . 1 1 8 8 THR H H 1 8.040 0.030 . 1 . . . . 8 THR H . 11184 1 14 . 1 1 8 8 THR HA H 1 4.332 0.030 . 1 . . . . 8 THR HA . 11184 1 15 . 1 1 8 8 THR HB H 1 4.192 0.030 . 1 . . . . 8 THR HB . 11184 1 16 . 1 1 8 8 THR HG21 H 1 1.153 0.030 . 1 . . . . 8 THR HG2 . 11184 1 17 . 1 1 8 8 THR HG22 H 1 1.153 0.030 . 1 . . . . 8 THR HG2 . 11184 1 18 . 1 1 8 8 THR HG23 H 1 1.153 0.030 . 1 . . . . 8 THR HG2 . 11184 1 19 . 1 1 8 8 THR C C 13 174.121 0.300 . 1 . . . . 8 THR C . 11184 1 20 . 1 1 8 8 THR CA C 13 61.611 0.300 . 1 . . . . 8 THR CA . 11184 1 21 . 1 1 8 8 THR CB C 13 69.961 0.300 . 1 . . . . 8 THR CB . 11184 1 22 . 1 1 8 8 THR CG2 C 13 21.644 0.300 . 1 . . . . 8 THR CG2 . 11184 1 23 . 1 1 8 8 THR N N 15 113.123 0.300 . 1 . . . . 8 THR N . 11184 1 24 . 1 1 9 9 ASP H H 1 8.383 0.030 . 1 . . . . 9 ASP H . 11184 1 25 . 1 1 9 9 ASP HA H 1 4.893 0.030 . 1 . . . . 9 ASP HA . 11184 1 26 . 1 1 9 9 ASP HB2 H 1 2.536 0.030 . 2 . . . . 9 ASP HB2 . 11184 1 27 . 1 1 9 9 ASP HB3 H 1 2.735 0.030 . 2 . . . . 9 ASP HB3 . 11184 1 28 . 1 1 9 9 ASP C C 13 175.397 0.300 . 1 . . . . 9 ASP C . 11184 1 29 . 1 1 9 9 ASP CA C 13 52.373 0.300 . 1 . . . . 9 ASP CA . 11184 1 30 . 1 1 9 9 ASP CB C 13 41.183 0.300 . 1 . . . . 9 ASP CB . 11184 1 31 . 1 1 9 9 ASP N N 15 124.292 0.300 . 1 . . . . 9 ASP N . 11184 1 32 . 1 1 10 10 PRO HA H 1 4.403 0.030 . 1 . . . . 10 PRO HA . 11184 1 33 . 1 1 10 10 PRO HB2 H 1 1.956 0.030 . 2 . . . . 10 PRO HB2 . 11184 1 34 . 1 1 10 10 PRO HB3 H 1 2.271 0.030 . 2 . . . . 10 PRO HB3 . 11184 1 35 . 1 1 10 10 PRO HD2 H 1 3.779 0.030 . 2 . . . . 10 PRO HD2 . 11184 1 36 . 1 1 10 10 PRO HD3 H 1 3.857 0.030 . 2 . . . . 10 PRO HD3 . 11184 1 37 . 1 1 10 10 PRO HG2 H 1 2.010 0.030 . 1 . . . . 10 PRO HG2 . 11184 1 38 . 1 1 10 10 PRO HG3 H 1 2.010 0.030 . 1 . . . . 10 PRO HG3 . 11184 1 39 . 1 1 10 10 PRO C C 13 177.674 0.300 . 1 . . . . 10 PRO C . 11184 1 40 . 1 1 10 10 PRO CA C 13 63.816 0.300 . 1 . . . . 10 PRO CA . 11184 1 41 . 1 1 10 10 PRO CB C 13 32.150 0.300 . 1 . . . . 10 PRO CB . 11184 1 42 . 1 1 10 10 PRO CD C 13 50.798 0.300 . 1 . . . . 10 PRO CD . 11184 1 43 . 1 1 10 10 PRO CG C 13 27.265 0.300 . 1 . . . . 10 PRO CG . 11184 1 44 . 1 1 11 11 GLY H H 1 8.546 0.030 . 1 . . . . 11 GLY H . 11184 1 45 . 1 1 11 11 GLY HA2 H 1 3.870 0.030 . 2 . . . . 11 GLY HA2 . 11184 1 46 . 1 1 11 11 GLY HA3 H 1 3.964 0.030 . 2 . . . . 11 GLY HA3 . 11184 1 47 . 1 1 11 11 GLY C C 13 174.137 0.300 . 1 . . . . 11 GLY C . 11184 1 48 . 1 1 11 11 GLY CA C 13 45.267 0.300 . 1 . . . . 11 GLY CA . 11184 1 49 . 1 1 11 11 GLY N N 15 108.982 0.300 . 1 . . . . 11 GLY N . 11184 1 50 . 1 1 12 12 ALA H H 1 7.975 0.030 . 1 . . . . 12 ALA H . 11184 1 51 . 1 1 12 12 ALA HA H 1 4.293 0.030 . 1 . . . . 12 ALA HA . 11184 1 52 . 1 1 12 12 ALA HB1 H 1 1.379 0.030 . 1 . . . . 12 ALA HB . 11184 1 53 . 1 1 12 12 ALA HB2 H 1 1.379 0.030 . 1 . . . . 12 ALA HB . 11184 1 54 . 1 1 12 12 ALA HB3 H 1 1.379 0.030 . 1 . . . . 12 ALA HB . 11184 1 55 . 1 1 12 12 ALA C C 13 177.727 0.300 . 1 . . . . 12 ALA C . 11184 1 56 . 1 1 12 12 ALA CA C 13 52.558 0.300 . 1 . . . . 12 ALA CA . 11184 1 57 . 1 1 12 12 ALA CB C 13 19.502 0.300 . 1 . . . . 12 ALA CB . 11184 1 58 . 1 1 12 12 ALA N N 15 123.636 0.300 . 1 . . . . 12 ALA N . 11184 1 59 . 1 1 13 13 GLU H H 1 8.326 0.030 . 1 . . . . 13 GLU H . 11184 1 60 . 1 1 13 13 GLU HA H 1 4.222 0.030 . 1 . . . . 13 GLU HA . 11184 1 61 . 1 1 13 13 GLU HB2 H 1 1.903 0.030 . 2 . . . . 13 GLU HB2 . 11184 1 62 . 1 1 13 13 GLU HB3 H 1 2.014 0.030 . 2 . . . . 13 GLU HB3 . 11184 1 63 . 1 1 13 13 GLU HG2 H 1 2.208 0.030 . 2 . . . . 13 GLU HG2 . 11184 1 64 . 1 1 13 13 GLU HG3 H 1 2.266 0.030 . 2 . . . . 13 GLU HG3 . 11184 1 65 . 1 1 13 13 GLU C C 13 176.305 0.300 . 1 . . . . 13 GLU C . 11184 1 66 . 1 1 13 13 GLU CA C 13 56.522 0.300 . 1 . . . . 13 GLU CA . 11184 1 67 . 1 1 13 13 GLU CB C 13 30.502 0.300 . 1 . . . . 13 GLU CB . 11184 1 68 . 1 1 13 13 GLU CG C 13 36.403 0.300 . 1 . . . . 13 GLU CG . 11184 1 69 . 1 1 13 13 GLU N N 15 119.600 0.300 . 1 . . . . 13 GLU N . 11184 1 70 . 1 1 14 14 GLU H H 1 8.321 0.030 . 1 . . . . 14 GLU H . 11184 1 71 . 1 1 14 14 GLU HA H 1 4.276 0.030 . 1 . . . . 14 GLU HA . 11184 1 72 . 1 1 14 14 GLU HB2 H 1 1.902 0.030 . 2 . . . . 14 GLU HB2 . 11184 1 73 . 1 1 14 14 GLU HB3 H 1 2.014 0.030 . 2 . . . . 14 GLU HB3 . 11184 1 74 . 1 1 14 14 GLU HG2 H 1 2.210 0.030 . 2 . . . . 14 GLU HG2 . 11184 1 75 . 1 1 14 14 GLU HG3 H 1 2.274 0.030 . 2 . . . . 14 GLU HG3 . 11184 1 76 . 1 1 14 14 GLU C C 13 176.103 0.300 . 1 . . . . 14 GLU C . 11184 1 77 . 1 1 14 14 GLU CA C 13 56.257 0.300 . 1 . . . . 14 GLU CA . 11184 1 78 . 1 1 14 14 GLU CB C 13 30.525 0.300 . 1 . . . . 14 GLU CB . 11184 1 79 . 1 1 14 14 GLU CG C 13 36.365 0.300 . 1 . . . . 14 GLU CG . 11184 1 80 . 1 1 14 14 GLU N N 15 122.145 0.300 . 1 . . . . 14 GLU N . 11184 1 81 . 1 1 15 15 LEU H H 1 8.324 0.030 . 1 . . . . 15 LEU H . 11184 1 82 . 1 1 15 15 LEU HA H 1 4.673 0.030 . 1 . . . . 15 LEU HA . 11184 1 83 . 1 1 15 15 LEU HB2 H 1 1.602 0.030 . 2 . . . . 15 LEU HB2 . 11184 1 84 . 1 1 15 15 LEU HB3 H 1 1.666 0.030 . 2 . . . . 15 LEU HB3 . 11184 1 85 . 1 1 15 15 LEU HD11 H 1 0.924 0.030 . 1 . . . . 15 LEU HD1 . 11184 1 86 . 1 1 15 15 LEU HD12 H 1 0.924 0.030 . 1 . . . . 15 LEU HD1 . 11184 1 87 . 1 1 15 15 LEU HD13 H 1 0.924 0.030 . 1 . . . . 15 LEU HD1 . 11184 1 88 . 1 1 15 15 LEU HD21 H 1 0.922 0.030 . 1 . . . . 15 LEU HD2 . 11184 1 89 . 1 1 15 15 LEU HD22 H 1 0.922 0.030 . 1 . . . . 15 LEU HD2 . 11184 1 90 . 1 1 15 15 LEU HD23 H 1 0.922 0.030 . 1 . . . . 15 LEU HD2 . 11184 1 91 . 1 1 15 15 LEU HG H 1 1.705 0.030 . 1 . . . . 15 LEU HG . 11184 1 92 . 1 1 15 15 LEU C C 13 174.743 0.300 . 1 . . . . 15 LEU C . 11184 1 93 . 1 1 15 15 LEU CA C 13 52.903 0.300 . 1 . . . . 15 LEU CA . 11184 1 94 . 1 1 15 15 LEU CB C 13 42.180 0.300 . 1 . . . . 15 LEU CB . 11184 1 95 . 1 1 15 15 LEU CD1 C 13 23.399 0.300 . 2 . . . . 15 LEU CD1 . 11184 1 96 . 1 1 15 15 LEU CD2 C 13 25.418 0.300 . 2 . . . . 15 LEU CD2 . 11184 1 97 . 1 1 15 15 LEU CG C 13 27.144 0.300 . 1 . . . . 15 LEU CG . 11184 1 98 . 1 1 15 15 LEU N N 15 125.221 0.300 . 1 . . . . 15 LEU N . 11184 1 99 . 1 1 16 16 PRO HA H 1 4.495 0.030 . 1 . . . . 16 PRO HA . 11184 1 100 . 1 1 16 16 PRO HB2 H 1 1.927 0.030 . 2 . . . . 16 PRO HB2 . 11184 1 101 . 1 1 16 16 PRO HB3 H 1 2.295 0.030 . 2 . . . . 16 PRO HB3 . 11184 1 102 . 1 1 16 16 PRO HD2 H 1 3.698 0.030 . 2 . . . . 16 PRO HD2 . 11184 1 103 . 1 1 16 16 PRO HD3 H 1 3.877 0.030 . 2 . . . . 16 PRO HD3 . 11184 1 104 . 1 1 16 16 PRO HG2 H 1 2.054 0.030 . 2 . . . . 16 PRO HG2 . 11184 1 105 . 1 1 16 16 PRO HG3 H 1 2.086 0.030 . 2 . . . . 16 PRO HG3 . 11184 1 106 . 1 1 16 16 PRO C C 13 176.217 0.300 . 1 . . . . 16 PRO C . 11184 1 107 . 1 1 16 16 PRO CA C 13 62.763 0.300 . 1 . . . . 16 PRO CA . 11184 1 108 . 1 1 16 16 PRO CB C 13 32.132 0.300 . 1 . . . . 16 PRO CB . 11184 1 109 . 1 1 16 16 PRO CD C 13 50.583 0.300 . 1 . . . . 16 PRO CD . 11184 1 110 . 1 1 16 16 PRO CG C 13 27.400 0.300 . 1 . . . . 16 PRO CG . 11184 1 111 . 1 1 17 17 ALA H H 1 8.387 0.030 . 1 . . . . 17 ALA H . 11184 1 112 . 1 1 17 17 ALA HA H 1 4.417 0.030 . 1 . . . . 17 ALA HA . 11184 1 113 . 1 1 17 17 ALA HB1 H 1 1.141 0.030 . 1 . . . . 17 ALA HB . 11184 1 114 . 1 1 17 17 ALA HB2 H 1 1.141 0.030 . 1 . . . . 17 ALA HB . 11184 1 115 . 1 1 17 17 ALA HB3 H 1 1.141 0.030 . 1 . . . . 17 ALA HB . 11184 1 116 . 1 1 17 17 ALA C C 13 178.052 0.300 . 1 . . . . 17 ALA C . 11184 1 117 . 1 1 17 17 ALA CA C 13 51.812 0.300 . 1 . . . . 17 ALA CA . 11184 1 118 . 1 1 17 17 ALA CB C 13 20.028 0.300 . 1 . . . . 17 ALA CB . 11184 1 119 . 1 1 17 17 ALA N N 15 123.682 0.300 . 1 . . . . 17 ALA N . 11184 1 120 . 1 1 18 18 ARG H H 1 9.007 0.030 . 1 . . . . 18 ARG H . 11184 1 121 . 1 1 18 18 ARG HA H 1 4.503 0.030 . 1 . . . . 18 ARG HA . 11184 1 122 . 1 1 18 18 ARG HB2 H 1 1.989 0.030 . 2 . . . . 18 ARG HB2 . 11184 1 123 . 1 1 18 18 ARG HB3 H 1 1.554 0.030 . 2 . . . . 18 ARG HB3 . 11184 1 124 . 1 1 18 18 ARG HD2 H 1 3.149 0.030 . 2 . . . . 18 ARG HD2 . 11184 1 125 . 1 1 18 18 ARG HD3 H 1 3.371 0.030 . 2 . . . . 18 ARG HD3 . 11184 1 126 . 1 1 18 18 ARG HE H 1 7.502 0.030 . 1 . . . . 18 ARG HE . 11184 1 127 . 1 1 18 18 ARG HG2 H 1 1.664 0.030 . 2 . . . . 18 ARG HG2 . 11184 1 128 . 1 1 18 18 ARG HG3 H 1 1.876 0.030 . 2 . . . . 18 ARG HG3 . 11184 1 129 . 1 1 18 18 ARG C C 13 175.059 0.300 . 1 . . . . 18 ARG C . 11184 1 130 . 1 1 18 18 ARG CA C 13 55.182 0.300 . 1 . . . . 18 ARG CA . 11184 1 131 . 1 1 18 18 ARG CB C 13 35.076 0.300 . 1 . . . . 18 ARG CB . 11184 1 132 . 1 1 18 18 ARG CD C 13 45.095 0.300 . 1 . . . . 18 ARG CD . 11184 1 133 . 1 1 18 18 ARG CG C 13 26.412 0.300 . 1 . . . . 18 ARG CG . 11184 1 134 . 1 1 18 18 ARG N N 15 122.208 0.300 . 1 . . . . 18 ARG N . 11184 1 135 . 1 1 18 18 ARG NE N 15 84.503 0.300 . 1 . . . . 18 ARG NE . 11184 1 136 . 1 1 19 19 ILE H H 1 8.770 0.030 . 1 . . . . 19 ILE H . 11184 1 137 . 1 1 19 19 ILE HA H 1 4.564 0.030 . 1 . . . . 19 ILE HA . 11184 1 138 . 1 1 19 19 ILE HB H 1 1.872 0.030 . 1 . . . . 19 ILE HB . 11184 1 139 . 1 1 19 19 ILE HD11 H 1 0.678 0.030 . 1 . . . . 19 ILE HD1 . 11184 1 140 . 1 1 19 19 ILE HD12 H 1 0.678 0.030 . 1 . . . . 19 ILE HD1 . 11184 1 141 . 1 1 19 19 ILE HD13 H 1 0.678 0.030 . 1 . . . . 19 ILE HD1 . 11184 1 142 . 1 1 19 19 ILE HG12 H 1 1.301 0.030 . 2 . . . . 19 ILE HG12 . 11184 1 143 . 1 1 19 19 ILE HG13 H 1 1.408 0.030 . 2 . . . . 19 ILE HG13 . 11184 1 144 . 1 1 19 19 ILE HG21 H 1 0.809 0.030 . 1 . . . . 19 ILE HG2 . 11184 1 145 . 1 1 19 19 ILE HG22 H 1 0.809 0.030 . 1 . . . . 19 ILE HG2 . 11184 1 146 . 1 1 19 19 ILE HG23 H 1 0.809 0.030 . 1 . . . . 19 ILE HG2 . 11184 1 147 . 1 1 19 19 ILE C C 13 174.041 0.300 . 1 . . . . 19 ILE C . 11184 1 148 . 1 1 19 19 ILE CA C 13 60.086 0.300 . 1 . . . . 19 ILE CA . 11184 1 149 . 1 1 19 19 ILE CB C 13 37.151 0.300 . 1 . . . . 19 ILE CB . 11184 1 150 . 1 1 19 19 ILE CD1 C 13 10.663 0.300 . 1 . . . . 19 ILE CD1 . 11184 1 151 . 1 1 19 19 ILE CG1 C 13 26.667 0.300 . 1 . . . . 19 ILE CG1 . 11184 1 152 . 1 1 19 19 ILE CG2 C 13 18.527 0.300 . 1 . . . . 19 ILE CG2 . 11184 1 153 . 1 1 19 19 ILE N N 15 122.139 0.300 . 1 . . . . 19 ILE N . 11184 1 154 . 1 1 20 20 PHE H H 1 9.148 0.030 . 1 . . . . 20 PHE H . 11184 1 155 . 1 1 20 20 PHE HA H 1 5.089 0.030 . 1 . . . . 20 PHE HA . 11184 1 156 . 1 1 20 20 PHE HB2 H 1 2.339 0.030 . 2 . . . . 20 PHE HB2 . 11184 1 157 . 1 1 20 20 PHE HB3 H 1 2.653 0.030 . 2 . . . . 20 PHE HB3 . 11184 1 158 . 1 1 20 20 PHE HD1 H 1 6.619 0.030 . 1 . . . . 20 PHE HD1 . 11184 1 159 . 1 1 20 20 PHE HD2 H 1 6.619 0.030 . 1 . . . . 20 PHE HD2 . 11184 1 160 . 1 1 20 20 PHE HE1 H 1 6.852 0.030 . 1 . . . . 20 PHE HE1 . 11184 1 161 . 1 1 20 20 PHE HE2 H 1 6.852 0.030 . 1 . . . . 20 PHE HE2 . 11184 1 162 . 1 1 20 20 PHE HZ H 1 6.774 0.030 . 1 . . . . 20 PHE HZ . 11184 1 163 . 1 1 20 20 PHE C C 13 173.593 0.300 . 1 . . . . 20 PHE C . 11184 1 164 . 1 1 20 20 PHE CA C 13 55.430 0.300 . 1 . . . . 20 PHE CA . 11184 1 165 . 1 1 20 20 PHE CB C 13 43.292 0.300 . 1 . . . . 20 PHE CB . 11184 1 166 . 1 1 20 20 PHE CD1 C 13 130.755 0.300 . 1 . . . . 20 PHE CD1 . 11184 1 167 . 1 1 20 20 PHE CD2 C 13 130.755 0.300 . 1 . . . . 20 PHE CD2 . 11184 1 168 . 1 1 20 20 PHE CE1 C 13 130.475 0.300 . 1 . . . . 20 PHE CE1 . 11184 1 169 . 1 1 20 20 PHE CE2 C 13 130.475 0.300 . 1 . . . . 20 PHE CE2 . 11184 1 170 . 1 1 20 20 PHE CZ C 13 129.395 0.300 . 1 . . . . 20 PHE CZ . 11184 1 171 . 1 1 20 20 PHE N N 15 127.177 0.300 . 1 . . . . 20 PHE N . 11184 1 172 . 1 1 21 21 VAL H H 1 9.166 0.030 . 1 . . . . 21 VAL H . 11184 1 173 . 1 1 21 21 VAL HA H 1 5.069 0.030 . 1 . . . . 21 VAL HA . 11184 1 174 . 1 1 21 21 VAL HB H 1 1.724 0.030 . 1 . . . . 21 VAL HB . 11184 1 175 . 1 1 21 21 VAL HG11 H 1 0.782 0.030 . 1 . . . . 21 VAL HG1 . 11184 1 176 . 1 1 21 21 VAL HG12 H 1 0.782 0.030 . 1 . . . . 21 VAL HG1 . 11184 1 177 . 1 1 21 21 VAL HG13 H 1 0.782 0.030 . 1 . . . . 21 VAL HG1 . 11184 1 178 . 1 1 21 21 VAL HG21 H 1 0.831 0.030 . 1 . . . . 21 VAL HG2 . 11184 1 179 . 1 1 21 21 VAL HG22 H 1 0.831 0.030 . 1 . . . . 21 VAL HG2 . 11184 1 180 . 1 1 21 21 VAL HG23 H 1 0.831 0.030 . 1 . . . . 21 VAL HG2 . 11184 1 181 . 1 1 21 21 VAL C C 13 174.795 0.300 . 1 . . . . 21 VAL C . 11184 1 182 . 1 1 21 21 VAL CA C 13 58.372 0.300 . 1 . . . . 21 VAL CA . 11184 1 183 . 1 1 21 21 VAL CB C 13 35.276 0.300 . 1 . . . . 21 VAL CB . 11184 1 184 . 1 1 21 21 VAL CG1 C 13 19.647 0.300 . 2 . . . . 21 VAL CG1 . 11184 1 185 . 1 1 21 21 VAL CG2 C 13 21.669 0.300 . 2 . . . . 21 VAL CG2 . 11184 1 186 . 1 1 21 21 VAL N N 15 117.360 0.300 . 1 . . . . 21 VAL N . 11184 1 187 . 1 1 22 22 ALA H H 1 8.444 0.030 . 1 . . . . 22 ALA H . 11184 1 188 . 1 1 22 22 ALA HA H 1 4.470 0.030 . 1 . . . . 22 ALA HA . 11184 1 189 . 1 1 22 22 ALA HB1 H 1 1.585 0.030 . 1 . . . . 22 ALA HB . 11184 1 190 . 1 1 22 22 ALA HB2 H 1 1.585 0.030 . 1 . . . . 22 ALA HB . 11184 1 191 . 1 1 22 22 ALA HB3 H 1 1.585 0.030 . 1 . . . . 22 ALA HB . 11184 1 192 . 1 1 22 22 ALA C C 13 179.657 0.300 . 1 . . . . 22 ALA C . 11184 1 193 . 1 1 22 22 ALA CA C 13 52.425 0.300 . 1 . . . . 22 ALA CA . 11184 1 194 . 1 1 22 22 ALA CB C 13 21.412 0.300 . 1 . . . . 22 ALA CB . 11184 1 195 . 1 1 22 22 ALA N N 15 127.067 0.300 . 1 . . . . 22 ALA N . 11184 1 196 . 1 1 23 23 LEU H H 1 9.258 0.030 . 1 . . . . 23 LEU H . 11184 1 197 . 1 1 23 23 LEU HA H 1 4.050 0.030 . 1 . . . . 23 LEU HA . 11184 1 198 . 1 1 23 23 LEU HB2 H 1 0.791 0.030 . 2 . . . . 23 LEU HB2 . 11184 1 199 . 1 1 23 23 LEU HB3 H 1 1.280 0.030 . 2 . . . . 23 LEU HB3 . 11184 1 200 . 1 1 23 23 LEU HD11 H 1 0.686 0.030 . 1 . . . . 23 LEU HD1 . 11184 1 201 . 1 1 23 23 LEU HD12 H 1 0.686 0.030 . 1 . . . . 23 LEU HD1 . 11184 1 202 . 1 1 23 23 LEU HD13 H 1 0.686 0.030 . 1 . . . . 23 LEU HD1 . 11184 1 203 . 1 1 23 23 LEU HD21 H 1 0.743 0.030 . 1 . . . . 23 LEU HD2 . 11184 1 204 . 1 1 23 23 LEU HD22 H 1 0.743 0.030 . 1 . . . . 23 LEU HD2 . 11184 1 205 . 1 1 23 23 LEU HD23 H 1 0.743 0.030 . 1 . . . . 23 LEU HD2 . 11184 1 206 . 1 1 23 23 LEU HG H 1 1.317 0.030 . 1 . . . . 23 LEU HG . 11184 1 207 . 1 1 23 23 LEU C C 13 175.137 0.300 . 1 . . . . 23 LEU C . 11184 1 208 . 1 1 23 23 LEU CA C 13 55.571 0.300 . 1 . . . . 23 LEU CA . 11184 1 209 . 1 1 23 23 LEU CB C 13 43.781 0.300 . 1 . . . . 23 LEU CB . 11184 1 210 . 1 1 23 23 LEU CD1 C 13 21.755 0.300 . 2 . . . . 23 LEU CD1 . 11184 1 211 . 1 1 23 23 LEU CD2 C 13 25.467 0.300 . 2 . . . . 23 LEU CD2 . 11184 1 212 . 1 1 23 23 LEU CG C 13 26.955 0.300 . 1 . . . . 23 LEU CG . 11184 1 213 . 1 1 23 23 LEU N N 15 125.804 0.300 . 1 . . . . 23 LEU N . 11184 1 214 . 1 1 24 24 PHE H H 1 7.272 0.030 . 1 . . . . 24 PHE H . 11184 1 215 . 1 1 24 24 PHE HA H 1 4.870 0.030 . 1 . . . . 24 PHE HA . 11184 1 216 . 1 1 24 24 PHE HB2 H 1 2.691 0.030 . 2 . . . . 24 PHE HB2 . 11184 1 217 . 1 1 24 24 PHE HB3 H 1 3.527 0.030 . 2 . . . . 24 PHE HB3 . 11184 1 218 . 1 1 24 24 PHE HD1 H 1 7.351 0.030 . 1 . . . . 24 PHE HD1 . 11184 1 219 . 1 1 24 24 PHE HD2 H 1 7.351 0.030 . 1 . . . . 24 PHE HD2 . 11184 1 220 . 1 1 24 24 PHE HE1 H 1 7.379 0.030 . 1 . . . . 24 PHE HE1 . 11184 1 221 . 1 1 24 24 PHE HE2 H 1 7.379 0.030 . 1 . . . . 24 PHE HE2 . 11184 1 222 . 1 1 24 24 PHE HZ H 1 7.318 0.030 . 1 . . . . 24 PHE HZ . 11184 1 223 . 1 1 24 24 PHE C C 13 173.506 0.300 . 1 . . . . 24 PHE C . 11184 1 224 . 1 1 24 24 PHE CA C 13 54.805 0.300 . 1 . . . . 24 PHE CA . 11184 1 225 . 1 1 24 24 PHE CB C 13 44.639 0.300 . 1 . . . . 24 PHE CB . 11184 1 226 . 1 1 24 24 PHE CD1 C 13 133.066 0.300 . 1 . . . . 24 PHE CD1 . 11184 1 227 . 1 1 24 24 PHE CD2 C 13 133.066 0.300 . 1 . . . . 24 PHE CD2 . 11184 1 228 . 1 1 24 24 PHE CE1 C 13 131.030 0.300 . 1 . . . . 24 PHE CE1 . 11184 1 229 . 1 1 24 24 PHE CE2 C 13 131.030 0.300 . 1 . . . . 24 PHE CE2 . 11184 1 230 . 1 1 24 24 PHE CZ C 13 129.769 0.300 . 1 . . . . 24 PHE CZ . 11184 1 231 . 1 1 24 24 PHE N N 15 111.846 0.300 . 1 . . . . 24 PHE N . 11184 1 232 . 1 1 25 25 ASP H H 1 8.498 0.030 . 1 . . . . 25 ASP H . 11184 1 233 . 1 1 25 25 ASP HA H 1 4.803 0.030 . 1 . . . . 25 ASP HA . 11184 1 234 . 1 1 25 25 ASP HB2 H 1 2.653 0.030 . 2 . . . . 25 ASP HB2 . 11184 1 235 . 1 1 25 25 ASP HB3 H 1 2.714 0.030 . 2 . . . . 25 ASP HB3 . 11184 1 236 . 1 1 25 25 ASP C C 13 175.682 0.300 . 1 . . . . 25 ASP C . 11184 1 237 . 1 1 25 25 ASP CA C 13 54.650 0.300 . 1 . . . . 25 ASP CA . 11184 1 238 . 1 1 25 25 ASP CB C 13 41.288 0.300 . 1 . . . . 25 ASP CB . 11184 1 239 . 1 1 25 25 ASP N N 15 117.731 0.300 . 1 . . . . 25 ASP N . 11184 1 240 . 1 1 26 26 TYR H H 1 8.781 0.030 . 1 . . . . 26 TYR H . 11184 1 241 . 1 1 26 26 TYR HA H 1 4.739 0.030 . 1 . . . . 26 TYR HA . 11184 1 242 . 1 1 26 26 TYR HB2 H 1 1.132 0.030 . 2 . . . . 26 TYR HB2 . 11184 1 243 . 1 1 26 26 TYR HB3 H 1 2.236 0.030 . 2 . . . . 26 TYR HB3 . 11184 1 244 . 1 1 26 26 TYR HD1 H 1 7.019 0.030 . 1 . . . . 26 TYR HD1 . 11184 1 245 . 1 1 26 26 TYR HD2 H 1 7.019 0.030 . 1 . . . . 26 TYR HD2 . 11184 1 246 . 1 1 26 26 TYR HE1 H 1 6.795 0.030 . 1 . . . . 26 TYR HE1 . 11184 1 247 . 1 1 26 26 TYR HE2 H 1 6.795 0.030 . 1 . . . . 26 TYR HE2 . 11184 1 248 . 1 1 26 26 TYR C C 13 173.628 0.300 . 1 . . . . 26 TYR C . 11184 1 249 . 1 1 26 26 TYR CA C 13 57.156 0.300 . 1 . . . . 26 TYR CA . 11184 1 250 . 1 1 26 26 TYR CB C 13 42.396 0.300 . 1 . . . . 26 TYR CB . 11184 1 251 . 1 1 26 26 TYR CD1 C 13 133.135 0.300 . 1 . . . . 26 TYR CD1 . 11184 1 252 . 1 1 26 26 TYR CD2 C 13 133.135 0.300 . 1 . . . . 26 TYR CD2 . 11184 1 253 . 1 1 26 26 TYR CE1 C 13 118.025 0.300 . 1 . . . . 26 TYR CE1 . 11184 1 254 . 1 1 26 26 TYR CE2 C 13 118.025 0.300 . 1 . . . . 26 TYR CE2 . 11184 1 255 . 1 1 26 26 TYR N N 15 121.427 0.300 . 1 . . . . 26 TYR N . 11184 1 256 . 1 1 27 27 ASP H H 1 7.292 0.030 . 1 . . . . 27 ASP H . 11184 1 257 . 1 1 27 27 ASP HA H 1 4.886 0.030 . 1 . . . . 27 ASP HA . 11184 1 258 . 1 1 27 27 ASP HB2 H 1 2.373 0.030 . 2 . . . . 27 ASP HB2 . 11184 1 259 . 1 1 27 27 ASP HB3 H 1 2.554 0.030 . 2 . . . . 27 ASP HB3 . 11184 1 260 . 1 1 27 27 ASP C C 13 173.181 0.300 . 1 . . . . 27 ASP C . 11184 1 261 . 1 1 27 27 ASP CA C 13 49.364 0.300 . 1 . . . . 27 ASP CA . 11184 1 262 . 1 1 27 27 ASP CB C 13 42.785 0.300 . 1 . . . . 27 ASP CB . 11184 1 263 . 1 1 27 27 ASP N N 15 127.546 0.300 . 1 . . . . 27 ASP N . 11184 1 264 . 1 1 28 28 PRO HA H 1 3.527 0.030 . 1 . . . . 28 PRO HA . 11184 1 265 . 1 1 28 28 PRO HB2 H 1 1.716 0.030 . 2 . . . . 28 PRO HB2 . 11184 1 266 . 1 1 28 28 PRO HB3 H 1 2.497 0.030 . 2 . . . . 28 PRO HB3 . 11184 1 267 . 1 1 28 28 PRO HD2 H 1 3.684 0.030 . 2 . . . . 28 PRO HD2 . 11184 1 268 . 1 1 28 28 PRO HD3 H 1 3.160 0.030 . 2 . . . . 28 PRO HD3 . 11184 1 269 . 1 1 28 28 PRO HG2 H 1 1.749 0.030 . 2 . . . . 28 PRO HG2 . 11184 1 270 . 1 1 28 28 PRO HG3 H 1 1.798 0.030 . 2 . . . . 28 PRO HG3 . 11184 1 271 . 1 1 28 28 PRO C C 13 177.358 0.300 . 1 . . . . 28 PRO C . 11184 1 272 . 1 1 28 28 PRO CA C 13 64.272 0.300 . 1 . . . . 28 PRO CA . 11184 1 273 . 1 1 28 28 PRO CB C 13 32.824 0.300 . 1 . . . . 28 PRO CB . 11184 1 274 . 1 1 28 28 PRO CD C 13 49.929 0.300 . 1 . . . . 28 PRO CD . 11184 1 275 . 1 1 28 28 PRO CG C 13 26.727 0.300 . 1 . . . . 28 PRO CG . 11184 1 276 . 1 1 29 29 LEU H H 1 7.700 0.030 . 1 . . . . 29 LEU H . 11184 1 277 . 1 1 29 29 LEU HA H 1 3.917 0.030 . 1 . . . . 29 LEU HA . 11184 1 278 . 1 1 29 29 LEU HB2 H 1 1.518 0.030 . 2 . . . . 29 LEU HB2 . 11184 1 279 . 1 1 29 29 LEU HB3 H 1 1.864 0.030 . 2 . . . . 29 LEU HB3 . 11184 1 280 . 1 1 29 29 LEU HD11 H 1 0.822 0.030 . 1 . . . . 29 LEU HD1 . 11184 1 281 . 1 1 29 29 LEU HD12 H 1 0.822 0.030 . 1 . . . . 29 LEU HD1 . 11184 1 282 . 1 1 29 29 LEU HD13 H 1 0.822 0.030 . 1 . . . . 29 LEU HD1 . 11184 1 283 . 1 1 29 29 LEU HD21 H 1 0.924 0.030 . 1 . . . . 29 LEU HD2 . 11184 1 284 . 1 1 29 29 LEU HD22 H 1 0.924 0.030 . 1 . . . . 29 LEU HD2 . 11184 1 285 . 1 1 29 29 LEU HD23 H 1 0.924 0.030 . 1 . . . . 29 LEU HD2 . 11184 1 286 . 1 1 29 29 LEU HG H 1 1.605 0.030 . 1 . . . . 29 LEU HG . 11184 1 287 . 1 1 29 29 LEU C C 13 178.569 0.300 . 1 . . . . 29 LEU C . 11184 1 288 . 1 1 29 29 LEU CA C 13 57.524 0.300 . 1 . . . . 29 LEU CA . 11184 1 289 . 1 1 29 29 LEU CB C 13 41.022 0.300 . 1 . . . . 29 LEU CB . 11184 1 290 . 1 1 29 29 LEU CD1 C 13 23.242 0.300 . 2 . . . . 29 LEU CD1 . 11184 1 291 . 1 1 29 29 LEU CD2 C 13 24.794 0.300 . 2 . . . . 29 LEU CD2 . 11184 1 292 . 1 1 29 29 LEU CG C 13 27.525 0.300 . 1 . . . . 29 LEU CG . 11184 1 293 . 1 1 29 29 LEU N N 15 113.326 0.300 . 1 . . . . 29 LEU N . 11184 1 294 . 1 1 30 30 THR H H 1 6.953 0.030 . 1 . . . . 30 THR H . 11184 1 295 . 1 1 30 30 THR HA H 1 4.486 0.030 . 1 . . . . 30 THR HA . 11184 1 296 . 1 1 30 30 THR HB H 1 4.186 0.030 . 1 . . . . 30 THR HB . 11184 1 297 . 1 1 30 30 THR HG21 H 1 1.092 0.030 . 1 . . . . 30 THR HG2 . 11184 1 298 . 1 1 30 30 THR HG22 H 1 1.092 0.030 . 1 . . . . 30 THR HG2 . 11184 1 299 . 1 1 30 30 THR HG23 H 1 1.092 0.030 . 1 . . . . 30 THR HG2 . 11184 1 300 . 1 1 30 30 THR C C 13 176.621 0.300 . 1 . . . . 30 THR C . 11184 1 301 . 1 1 30 30 THR CA C 13 61.579 0.300 . 1 . . . . 30 THR CA . 11184 1 302 . 1 1 30 30 THR CB C 13 70.447 0.300 . 1 . . . . 30 THR CB . 11184 1 303 . 1 1 30 30 THR CG2 C 13 21.667 0.300 . 1 . . . . 30 THR CG2 . 11184 1 304 . 1 1 30 30 THR N N 15 103.657 0.300 . 1 . . . . 30 THR N . 11184 1 305 . 1 1 31 31 MET H H 1 7.906 0.030 . 1 . . . . 31 MET H . 11184 1 306 . 1 1 31 31 MET HA H 1 4.553 0.030 . 1 . . . . 31 MET HA . 11184 1 307 . 1 1 31 31 MET HB2 H 1 1.467 0.030 . 2 . . . . 31 MET HB2 . 11184 1 308 . 1 1 31 31 MET HB3 H 1 2.296 0.030 . 2 . . . . 31 MET HB3 . 11184 1 309 . 1 1 31 31 MET HE1 H 1 2.194 0.030 . 1 . . . . 31 MET HE . 11184 1 310 . 1 1 31 31 MET HE2 H 1 2.194 0.030 . 1 . . . . 31 MET HE . 11184 1 311 . 1 1 31 31 MET HE3 H 1 2.194 0.030 . 1 . . . . 31 MET HE . 11184 1 312 . 1 1 31 31 MET HG2 H 1 2.509 0.030 . 2 . . . . 31 MET HG2 . 11184 1 313 . 1 1 31 31 MET HG3 H 1 2.726 0.030 . 2 . . . . 31 MET HG3 . 11184 1 314 . 1 1 31 31 MET C C 13 176.050 0.300 . 1 . . . . 31 MET C . 11184 1 315 . 1 1 31 31 MET CA C 13 56.462 0.300 . 1 . . . . 31 MET CA . 11184 1 316 . 1 1 31 31 MET CB C 13 35.158 0.300 . 1 . . . . 31 MET CB . 11184 1 317 . 1 1 31 31 MET CE C 13 17.147 0.300 . 1 . . . . 31 MET CE . 11184 1 318 . 1 1 31 31 MET CG C 13 32.150 0.300 . 1 . . . . 31 MET CG . 11184 1 319 . 1 1 31 31 MET N N 15 118.301 0.300 . 1 . . . . 31 MET N . 11184 1 320 . 1 1 32 32 SER H H 1 7.718 0.030 . 1 . . . . 32 SER H . 11184 1 321 . 1 1 32 32 SER HA H 1 5.121 0.030 . 1 . . . . 32 SER HA . 11184 1 322 . 1 1 32 32 SER HB2 H 1 3.619 0.030 . 2 . . . . 32 SER HB2 . 11184 1 323 . 1 1 32 32 SER HB3 H 1 4.321 0.030 . 2 . . . . 32 SER HB3 . 11184 1 324 . 1 1 32 32 SER C C 13 175.778 0.300 . 1 . . . . 32 SER C . 11184 1 325 . 1 1 32 32 SER CA C 13 56.303 0.300 . 1 . . . . 32 SER CA . 11184 1 326 . 1 1 32 32 SER CB C 13 64.608 0.300 . 1 . . . . 32 SER CB . 11184 1 327 . 1 1 32 32 SER N N 15 114.973 0.300 . 1 . . . . 32 SER N . 11184 1 328 . 1 1 33 33 PRO HA H 1 4.602 0.030 . 1 . . . . 33 PRO HA . 11184 1 329 . 1 1 33 33 PRO HB2 H 1 2.064 0.030 . 2 . . . . 33 PRO HB2 . 11184 1 330 . 1 1 33 33 PRO HB3 H 1 2.291 0.030 . 2 . . . . 33 PRO HB3 . 11184 1 331 . 1 1 33 33 PRO HD2 H 1 3.962 0.030 . 2 . . . . 33 PRO HD2 . 11184 1 332 . 1 1 33 33 PRO HD3 H 1 4.197 0.030 . 2 . . . . 33 PRO HD3 . 11184 1 333 . 1 1 33 33 PRO HG2 H 1 1.987 0.030 . 2 . . . . 33 PRO HG2 . 11184 1 334 . 1 1 33 33 PRO HG3 H 1 2.087 0.030 . 2 . . . . 33 PRO HG3 . 11184 1 335 . 1 1 33 33 PRO C C 13 176.270 0.300 . 1 . . . . 33 PRO C . 11184 1 336 . 1 1 33 33 PRO CA C 13 63.445 0.300 . 1 . . . . 33 PRO CA . 11184 1 337 . 1 1 33 33 PRO CB C 13 32.115 0.300 . 1 . . . . 33 PRO CB . 11184 1 338 . 1 1 33 33 PRO CD C 13 51.264 0.300 . 1 . . . . 33 PRO CD . 11184 1 339 . 1 1 33 33 PRO CG C 13 26.627 0.300 . 1 . . . . 33 PRO CG . 11184 1 340 . 1 1 34 34 ASN H H 1 8.605 0.030 . 1 . . . . 34 ASN H . 11184 1 341 . 1 1 34 34 ASN HA H 1 5.085 0.030 . 1 . . . . 34 ASN HA . 11184 1 342 . 1 1 34 34 ASN HB2 H 1 2.724 0.030 . 2 . . . . 34 ASN HB2 . 11184 1 343 . 1 1 34 34 ASN HB3 H 1 2.913 0.030 . 2 . . . . 34 ASN HB3 . 11184 1 344 . 1 1 34 34 ASN HD21 H 1 7.054 0.030 . 2 . . . . 34 ASN HD21 . 11184 1 345 . 1 1 34 34 ASN HD22 H 1 7.859 0.030 . 2 . . . . 34 ASN HD22 . 11184 1 346 . 1 1 34 34 ASN C C 13 173.426 0.300 . 1 . . . . 34 ASN C . 11184 1 347 . 1 1 34 34 ASN CA C 13 50.518 0.300 . 1 . . . . 34 ASN CA . 11184 1 348 . 1 1 34 34 ASN CB C 13 39.092 0.300 . 1 . . . . 34 ASN CB . 11184 1 349 . 1 1 34 34 ASN N N 15 118.655 0.300 . 1 . . . . 34 ASN N . 11184 1 350 . 1 1 34 34 ASN ND2 N 15 113.177 0.300 . 1 . . . . 34 ASN ND2 . 11184 1 351 . 1 1 35 35 PRO HA H 1 4.262 0.030 . 1 . . . . 35 PRO HA . 11184 1 352 . 1 1 35 35 PRO HB2 H 1 1.974 0.030 . 2 . . . . 35 PRO HB2 . 11184 1 353 . 1 1 35 35 PRO HB3 H 1 2.364 0.030 . 2 . . . . 35 PRO HB3 . 11184 1 354 . 1 1 35 35 PRO HD2 H 1 3.691 0.030 . 2 . . . . 35 PRO HD2 . 11184 1 355 . 1 1 35 35 PRO HD3 H 1 3.834 0.030 . 2 . . . . 35 PRO HD3 . 11184 1 356 . 1 1 35 35 PRO HG2 H 1 2.008 0.030 . 1 . . . . 35 PRO HG2 . 11184 1 357 . 1 1 35 35 PRO HG3 H 1 2.008 0.030 . 1 . . . . 35 PRO HG3 . 11184 1 358 . 1 1 35 35 PRO C C 13 177.744 0.300 . 1 . . . . 35 PRO C . 11184 1 359 . 1 1 35 35 PRO CA C 13 64.865 0.300 . 1 . . . . 35 PRO CA . 11184 1 360 . 1 1 35 35 PRO CB C 13 32.005 0.300 . 1 . . . . 35 PRO CB . 11184 1 361 . 1 1 35 35 PRO CD C 13 50.775 0.300 . 1 . . . . 35 PRO CD . 11184 1 362 . 1 1 35 35 PRO CG C 13 27.304 0.300 . 1 . . . . 35 PRO CG . 11184 1 363 . 1 1 36 36 ASP H H 1 8.143 0.030 . 1 . . . . 36 ASP H . 11184 1 364 . 1 1 36 36 ASP HA H 1 4.601 0.030 . 1 . . . . 36 ASP HA . 11184 1 365 . 1 1 36 36 ASP HB2 H 1 2.560 0.030 . 2 . . . . 36 ASP HB2 . 11184 1 366 . 1 1 36 36 ASP HB3 H 1 2.752 0.030 . 2 . . . . 36 ASP HB3 . 11184 1 367 . 1 1 36 36 ASP C C 13 176.454 0.300 . 1 . . . . 36 ASP C . 11184 1 368 . 1 1 36 36 ASP CA C 13 55.355 0.300 . 1 . . . . 36 ASP CA . 11184 1 369 . 1 1 36 36 ASP CB C 13 40.485 0.300 . 1 . . . . 36 ASP CB . 11184 1 370 . 1 1 36 36 ASP N N 15 116.793 0.300 . 1 . . . . 36 ASP N . 11184 1 371 . 1 1 37 37 ALA H H 1 7.671 0.030 . 1 . . . . 37 ALA H . 11184 1 372 . 1 1 37 37 ALA HA H 1 4.405 0.030 . 1 . . . . 37 ALA HA . 11184 1 373 . 1 1 37 37 ALA HB1 H 1 1.353 0.030 . 1 . . . . 37 ALA HB . 11184 1 374 . 1 1 37 37 ALA HB2 H 1 1.353 0.030 . 1 . . . . 37 ALA HB . 11184 1 375 . 1 1 37 37 ALA HB3 H 1 1.353 0.030 . 1 . . . . 37 ALA HB . 11184 1 376 . 1 1 37 37 ALA C C 13 178.095 0.300 . 1 . . . . 37 ALA C . 11184 1 377 . 1 1 37 37 ALA CA C 13 52.898 0.300 . 1 . . . . 37 ALA CA . 11184 1 378 . 1 1 37 37 ALA CB C 13 19.696 0.300 . 1 . . . . 37 ALA CB . 11184 1 379 . 1 1 37 37 ALA N N 15 122.860 0.300 . 1 . . . . 37 ALA N . 11184 1 380 . 1 1 38 38 ALA H H 1 7.881 0.030 . 1 . . . . 38 ALA H . 11184 1 381 . 1 1 38 38 ALA HA H 1 4.124 0.030 . 1 . . . . 38 ALA HA . 11184 1 382 . 1 1 38 38 ALA HB1 H 1 1.353 0.030 . 1 . . . . 38 ALA HB . 11184 1 383 . 1 1 38 38 ALA HB2 H 1 1.353 0.030 . 1 . . . . 38 ALA HB . 11184 1 384 . 1 1 38 38 ALA HB3 H 1 1.353 0.030 . 1 . . . . 38 ALA HB . 11184 1 385 . 1 1 38 38 ALA C C 13 179.245 0.300 . 1 . . . . 38 ALA C . 11184 1 386 . 1 1 38 38 ALA CA C 13 54.417 0.300 . 1 . . . . 38 ALA CA . 11184 1 387 . 1 1 38 38 ALA CB C 13 19.074 0.300 . 1 . . . . 38 ALA CB . 11184 1 388 . 1 1 38 38 ALA N N 15 120.858 0.300 . 1 . . . . 38 ALA N . 11184 1 389 . 1 1 39 39 GLU H H 1 8.222 0.030 . 1 . . . . 39 GLU H . 11184 1 390 . 1 1 39 39 GLU HA H 1 4.179 0.030 . 1 . . . . 39 GLU HA . 11184 1 391 . 1 1 39 39 GLU HB2 H 1 2.019 0.030 . 2 . . . . 39 GLU HB2 . 11184 1 392 . 1 1 39 39 GLU HB3 H 1 2.091 0.030 . 2 . . . . 39 GLU HB3 . 11184 1 393 . 1 1 39 39 GLU HG2 H 1 2.263 0.030 . 2 . . . . 39 GLU HG2 . 11184 1 394 . 1 1 39 39 GLU HG3 H 1 2.303 0.030 . 2 . . . . 39 GLU HG3 . 11184 1 395 . 1 1 39 39 GLU C C 13 177.236 0.300 . 1 . . . . 39 GLU C . 11184 1 396 . 1 1 39 39 GLU CA C 13 58.365 0.300 . 1 . . . . 39 GLU CA . 11184 1 397 . 1 1 39 39 GLU CB C 13 29.838 0.300 . 1 . . . . 39 GLU CB . 11184 1 398 . 1 1 39 39 GLU CG C 13 36.539 0.300 . 1 . . . . 39 GLU CG . 11184 1 399 . 1 1 39 39 GLU N N 15 116.319 0.300 . 1 . . . . 39 GLU N . 11184 1 400 . 1 1 40 40 GLU H H 1 7.997 0.030 . 1 . . . . 40 GLU H . 11184 1 401 . 1 1 40 40 GLU HA H 1 4.423 0.030 . 1 . . . . 40 GLU HA . 11184 1 402 . 1 1 40 40 GLU HB2 H 1 1.891 0.030 . 2 . . . . 40 GLU HB2 . 11184 1 403 . 1 1 40 40 GLU HB3 H 1 2.146 0.030 . 2 . . . . 40 GLU HB3 . 11184 1 404 . 1 1 40 40 GLU HG2 H 1 2.216 0.030 . 2 . . . . 40 GLU HG2 . 11184 1 405 . 1 1 40 40 GLU HG3 H 1 2.295 0.030 . 2 . . . . 40 GLU HG3 . 11184 1 406 . 1 1 40 40 GLU C C 13 177.200 0.300 . 1 . . . . 40 GLU C . 11184 1 407 . 1 1 40 40 GLU CA C 13 56.564 0.300 . 1 . . . . 40 GLU CA . 11184 1 408 . 1 1 40 40 GLU CB C 13 31.378 0.300 . 1 . . . . 40 GLU CB . 11184 1 409 . 1 1 40 40 GLU CG C 13 36.587 0.300 . 1 . . . . 40 GLU CG . 11184 1 410 . 1 1 40 40 GLU N N 15 116.161 0.300 . 1 . . . . 40 GLU N . 11184 1 411 . 1 1 41 41 GLU H H 1 7.849 0.030 . 1 . . . . 41 GLU H . 11184 1 412 . 1 1 41 41 GLU HA H 1 4.840 0.030 . 1 . . . . 41 GLU HA . 11184 1 413 . 1 1 41 41 GLU HB2 H 1 2.054 0.030 . 2 . . . . 41 GLU HB2 . 11184 1 414 . 1 1 41 41 GLU HB3 H 1 2.412 0.030 . 2 . . . . 41 GLU HB3 . 11184 1 415 . 1 1 41 41 GLU HG2 H 1 1.961 0.030 . 2 . . . . 41 GLU HG2 . 11184 1 416 . 1 1 41 41 GLU HG3 H 1 2.171 0.030 . 2 . . . . 41 GLU HG3 . 11184 1 417 . 1 1 41 41 GLU C C 13 175.804 0.300 . 1 . . . . 41 GLU C . 11184 1 418 . 1 1 41 41 GLU CA C 13 56.055 0.300 . 1 . . . . 41 GLU CA . 11184 1 419 . 1 1 41 41 GLU CB C 13 32.488 0.300 . 1 . . . . 41 GLU CB . 11184 1 420 . 1 1 41 41 GLU CG C 13 37.243 0.300 . 1 . . . . 41 GLU CG . 11184 1 421 . 1 1 41 41 GLU N N 15 119.796 0.300 . 1 . . . . 41 GLU N . 11184 1 422 . 1 1 42 42 LEU H H 1 8.412 0.030 . 1 . . . . 42 LEU H . 11184 1 423 . 1 1 42 42 LEU HA H 1 4.840 0.030 . 1 . . . . 42 LEU HA . 11184 1 424 . 1 1 42 42 LEU HB2 H 1 1.565 0.030 . 2 . . . . 42 LEU HB2 . 11184 1 425 . 1 1 42 42 LEU HB3 H 1 1.647 0.030 . 2 . . . . 42 LEU HB3 . 11184 1 426 . 1 1 42 42 LEU HD11 H 1 0.785 0.030 . 1 . . . . 42 LEU HD1 . 11184 1 427 . 1 1 42 42 LEU HD12 H 1 0.785 0.030 . 1 . . . . 42 LEU HD1 . 11184 1 428 . 1 1 42 42 LEU HD13 H 1 0.785 0.030 . 1 . . . . 42 LEU HD1 . 11184 1 429 . 1 1 42 42 LEU HD21 H 1 0.882 0.030 . 1 . . . . 42 LEU HD2 . 11184 1 430 . 1 1 42 42 LEU HD22 H 1 0.882 0.030 . 1 . . . . 42 LEU HD2 . 11184 1 431 . 1 1 42 42 LEU HD23 H 1 0.882 0.030 . 1 . . . . 42 LEU HD2 . 11184 1 432 . 1 1 42 42 LEU HG H 1 1.559 0.030 . 1 . . . . 42 LEU HG . 11184 1 433 . 1 1 42 42 LEU C C 13 173.339 0.300 . 1 . . . . 42 LEU C . 11184 1 434 . 1 1 42 42 LEU CA C 13 51.730 0.300 . 1 . . . . 42 LEU CA . 11184 1 435 . 1 1 42 42 LEU CB C 13 43.605 0.300 . 1 . . . . 42 LEU CB . 11184 1 436 . 1 1 42 42 LEU CD1 C 13 23.787 0.300 . 2 . . . . 42 LEU CD1 . 11184 1 437 . 1 1 42 42 LEU CD2 C 13 25.841 0.300 . 2 . . . . 42 LEU CD2 . 11184 1 438 . 1 1 42 42 LEU CG C 13 26.780 0.300 . 1 . . . . 42 LEU CG . 11184 1 439 . 1 1 42 42 LEU N N 15 122.488 0.300 . 1 . . . . 42 LEU N . 11184 1 440 . 1 1 43 43 PRO HA H 1 4.734 0.030 . 1 . . . . 43 PRO HA . 11184 1 441 . 1 1 43 43 PRO HB2 H 1 2.029 0.030 . 2 . . . . 43 PRO HB2 . 11184 1 442 . 1 1 43 43 PRO HB3 H 1 2.267 0.030 . 2 . . . . 43 PRO HB3 . 11184 1 443 . 1 1 43 43 PRO HD2 H 1 3.721 0.030 . 2 . . . . 43 PRO HD2 . 11184 1 444 . 1 1 43 43 PRO HD3 H 1 3.950 0.030 . 2 . . . . 43 PRO HD3 . 11184 1 445 . 1 1 43 43 PRO HG2 H 1 2.053 0.030 . 2 . . . . 43 PRO HG2 . 11184 1 446 . 1 1 43 43 PRO HG3 H 1 2.129 0.030 . 2 . . . . 43 PRO HG3 . 11184 1 447 . 1 1 43 43 PRO C C 13 177.235 0.300 . 1 . . . . 43 PRO C . 11184 1 448 . 1 1 43 43 PRO CA C 13 61.031 0.300 . 1 . . . . 43 PRO CA . 11184 1 449 . 1 1 43 43 PRO CB C 13 32.755 0.300 . 1 . . . . 43 PRO CB . 11184 1 450 . 1 1 43 43 PRO CD C 13 50.002 0.300 . 1 . . . . 43 PRO CD . 11184 1 451 . 1 1 43 43 PRO CG C 13 26.905 0.300 . 1 . . . . 43 PRO CG . 11184 1 452 . 1 1 44 44 PHE H H 1 8.054 0.030 . 1 . . . . 44 PHE H . 11184 1 453 . 1 1 44 44 PHE HA H 1 4.863 0.030 . 1 . . . . 44 PHE HA . 11184 1 454 . 1 1 44 44 PHE HB2 H 1 2.839 0.030 . 2 . . . . 44 PHE HB2 . 11184 1 455 . 1 1 44 44 PHE HB3 H 1 3.423 0.030 . 2 . . . . 44 PHE HB3 . 11184 1 456 . 1 1 44 44 PHE HD1 H 1 6.978 0.030 . 1 . . . . 44 PHE HD1 . 11184 1 457 . 1 1 44 44 PHE HD2 H 1 6.978 0.030 . 1 . . . . 44 PHE HD2 . 11184 1 458 . 1 1 44 44 PHE HE1 H 1 7.379 0.030 . 1 . . . . 44 PHE HE1 . 11184 1 459 . 1 1 44 44 PHE HE2 H 1 7.379 0.030 . 1 . . . . 44 PHE HE2 . 11184 1 460 . 1 1 44 44 PHE HZ H 1 6.786 0.030 . 1 . . . . 44 PHE HZ . 11184 1 461 . 1 1 44 44 PHE C C 13 174.084 0.300 . 1 . . . . 44 PHE C . 11184 1 462 . 1 1 44 44 PHE CA C 13 56.524 0.300 . 1 . . . . 44 PHE CA . 11184 1 463 . 1 1 44 44 PHE CB C 13 39.973 0.300 . 1 . . . . 44 PHE CB . 11184 1 464 . 1 1 44 44 PHE CD1 C 13 133.595 0.300 . 1 . . . . 44 PHE CD1 . 11184 1 465 . 1 1 44 44 PHE CD2 C 13 133.595 0.300 . 1 . . . . 44 PHE CD2 . 11184 1 466 . 1 1 44 44 PHE CE1 C 13 131.304 0.300 . 1 . . . . 44 PHE CE1 . 11184 1 467 . 1 1 44 44 PHE CE2 C 13 131.304 0.300 . 1 . . . . 44 PHE CE2 . 11184 1 468 . 1 1 44 44 PHE CZ C 13 128.613 0.300 . 1 . . . . 44 PHE CZ . 11184 1 469 . 1 1 44 44 PHE N N 15 111.825 0.300 . 1 . . . . 44 PHE N . 11184 1 470 . 1 1 45 45 LYS H H 1 8.229 0.030 . 1 . . . . 45 LYS H . 11184 1 471 . 1 1 45 45 LYS HA H 1 5.072 0.030 . 1 . . . . 45 LYS HA . 11184 1 472 . 1 1 45 45 LYS HB2 H 1 1.734 0.030 . 2 . . . . 45 LYS HB2 . 11184 1 473 . 1 1 45 45 LYS HB3 H 1 1.947 0.030 . 2 . . . . 45 LYS HB3 . 11184 1 474 . 1 1 45 45 LYS HD2 H 1 1.644 0.030 . 2 . . . . 45 LYS HD2 . 11184 1 475 . 1 1 45 45 LYS HD3 H 1 1.699 0.030 . 2 . . . . 45 LYS HD3 . 11184 1 476 . 1 1 45 45 LYS HE2 H 1 2.990 0.030 . 2 . . . . 45 LYS HE2 . 11184 1 477 . 1 1 45 45 LYS HE3 H 1 3.032 0.030 . 2 . . . . 45 LYS HE3 . 11184 1 478 . 1 1 45 45 LYS HG2 H 1 1.495 0.030 . 1 . . . . 45 LYS HG2 . 11184 1 479 . 1 1 45 45 LYS HG3 H 1 1.495 0.030 . 1 . . . . 45 LYS HG3 . 11184 1 480 . 1 1 45 45 LYS C C 13 175.577 0.300 . 1 . . . . 45 LYS C . 11184 1 481 . 1 1 45 45 LYS CA C 13 53.210 0.300 . 1 . . . . 45 LYS CA . 11184 1 482 . 1 1 45 45 LYS CB C 13 35.522 0.300 . 1 . . . . 45 LYS CB . 11184 1 483 . 1 1 45 45 LYS CD C 13 28.522 0.300 . 1 . . . . 45 LYS CD . 11184 1 484 . 1 1 45 45 LYS CE C 13 42.234 0.300 . 1 . . . . 45 LYS CE . 11184 1 485 . 1 1 45 45 LYS CG C 13 24.549 0.300 . 1 . . . . 45 LYS CG . 11184 1 486 . 1 1 45 45 LYS N N 15 118.622 0.300 . 1 . . . . 45 LYS N . 11184 1 487 . 1 1 46 46 GLU H H 1 9.204 0.030 . 1 . . . . 46 GLU H . 11184 1 488 . 1 1 46 46 GLU HA H 1 3.275 0.030 . 1 . . . . 46 GLU HA . 11184 1 489 . 1 1 46 46 GLU HB2 H 1 1.829 0.030 . 2 . . . . 46 GLU HB2 . 11184 1 490 . 1 1 46 46 GLU HB3 H 1 1.882 0.030 . 2 . . . . 46 GLU HB3 . 11184 1 491 . 1 1 46 46 GLU HG2 H 1 1.946 0.030 . 2 . . . . 46 GLU HG2 . 11184 1 492 . 1 1 46 46 GLU HG3 H 1 2.077 0.030 . 2 . . . . 46 GLU HG3 . 11184 1 493 . 1 1 46 46 GLU C C 13 177.112 0.300 . 1 . . . . 46 GLU C . 11184 1 494 . 1 1 46 46 GLU CA C 13 58.639 0.300 . 1 . . . . 46 GLU CA . 11184 1 495 . 1 1 46 46 GLU CB C 13 29.662 0.300 . 1 . . . . 46 GLU CB . 11184 1 496 . 1 1 46 46 GLU CG C 13 35.319 0.300 . 1 . . . . 46 GLU CG . 11184 1 497 . 1 1 46 46 GLU N N 15 121.087 0.300 . 1 . . . . 46 GLU N . 11184 1 498 . 1 1 47 47 GLY H H 1 8.780 0.030 . 1 . . . . 47 GLY H . 11184 1 499 . 1 1 47 47 GLY HA2 H 1 3.482 0.030 . 2 . . . . 47 GLY HA2 . 11184 1 500 . 1 1 47 47 GLY HA3 H 1 4.319 0.030 . 2 . . . . 47 GLY HA3 . 11184 1 501 . 1 1 47 47 GLY C C 13 173.637 0.300 . 1 . . . . 47 GLY C . 11184 1 502 . 1 1 47 47 GLY CA C 13 45.093 0.300 . 1 . . . . 47 GLY CA . 11184 1 503 . 1 1 47 47 GLY N N 15 114.436 0.300 . 1 . . . . 47 GLY N . 11184 1 504 . 1 1 48 48 GLN H H 1 8.298 0.030 . 1 . . . . 48 GLN H . 11184 1 505 . 1 1 48 48 GLN HA H 1 4.139 0.030 . 1 . . . . 48 GLN HA . 11184 1 506 . 1 1 48 48 GLN HB2 H 1 1.999 0.030 . 2 . . . . 48 GLN HB2 . 11184 1 507 . 1 1 48 48 GLN HB3 H 1 2.544 0.030 . 2 . . . . 48 GLN HB3 . 11184 1 508 . 1 1 48 48 GLN HE21 H 1 7.386 0.030 . 2 . . . . 48 GLN HE21 . 11184 1 509 . 1 1 48 48 GLN HE22 H 1 8.134 0.030 . 2 . . . . 48 GLN HE22 . 11184 1 510 . 1 1 48 48 GLN HG2 H 1 2.419 0.030 . 2 . . . . 48 GLN HG2 . 11184 1 511 . 1 1 48 48 GLN HG3 H 1 2.532 0.030 . 2 . . . . 48 GLN HG3 . 11184 1 512 . 1 1 48 48 GLN C C 13 174.787 0.300 . 1 . . . . 48 GLN C . 11184 1 513 . 1 1 48 48 GLN CA C 13 57.238 0.300 . 1 . . . . 48 GLN CA . 11184 1 514 . 1 1 48 48 GLN CB C 13 30.464 0.300 . 1 . . . . 48 GLN CB . 11184 1 515 . 1 1 48 48 GLN CG C 13 34.263 0.300 . 1 . . . . 48 GLN CG . 11184 1 516 . 1 1 48 48 GLN N N 15 122.809 0.300 . 1 . . . . 48 GLN N . 11184 1 517 . 1 1 48 48 GLN NE2 N 15 115.035 0.300 . 1 . . . . 48 GLN NE2 . 11184 1 518 . 1 1 49 49 ILE H H 1 8.332 0.030 . 1 . . . . 49 ILE H . 11184 1 519 . 1 1 49 49 ILE HA H 1 4.709 0.030 . 1 . . . . 49 ILE HA . 11184 1 520 . 1 1 49 49 ILE HB H 1 1.927 0.030 . 1 . . . . 49 ILE HB . 11184 1 521 . 1 1 49 49 ILE HD11 H 1 0.742 0.030 . 1 . . . . 49 ILE HD1 . 11184 1 522 . 1 1 49 49 ILE HD12 H 1 0.742 0.030 . 1 . . . . 49 ILE HD1 . 11184 1 523 . 1 1 49 49 ILE HD13 H 1 0.742 0.030 . 1 . . . . 49 ILE HD1 . 11184 1 524 . 1 1 49 49 ILE HG12 H 1 1.467 0.030 . 2 . . . . 49 ILE HG12 . 11184 1 525 . 1 1 49 49 ILE HG13 H 1 1.530 0.030 . 2 . . . . 49 ILE HG13 . 11184 1 526 . 1 1 49 49 ILE HG21 H 1 0.883 0.030 . 1 . . . . 49 ILE HG2 . 11184 1 527 . 1 1 49 49 ILE HG22 H 1 0.883 0.030 . 1 . . . . 49 ILE HG2 . 11184 1 528 . 1 1 49 49 ILE HG23 H 1 0.883 0.030 . 1 . . . . 49 ILE HG2 . 11184 1 529 . 1 1 49 49 ILE C C 13 176.397 0.300 . 1 . . . . 49 ILE C . 11184 1 530 . 1 1 49 49 ILE CA C 13 59.771 0.300 . 1 . . . . 49 ILE CA . 11184 1 531 . 1 1 49 49 ILE CB C 13 36.729 0.300 . 1 . . . . 49 ILE CB . 11184 1 532 . 1 1 49 49 ILE CD1 C 13 10.498 0.300 . 1 . . . . 49 ILE CD1 . 11184 1 533 . 1 1 49 49 ILE CG1 C 13 27.346 0.300 . 1 . . . . 49 ILE CG1 . 11184 1 534 . 1 1 49 49 ILE CG2 C 13 17.712 0.300 . 1 . . . . 49 ILE CG2 . 11184 1 535 . 1 1 49 49 ILE N N 15 124.015 0.300 . 1 . . . . 49 ILE N . 11184 1 536 . 1 1 50 50 ILE H H 1 9.337 0.030 . 1 . . . . 50 ILE H . 11184 1 537 . 1 1 50 50 ILE HA H 1 4.232 0.030 . 1 . . . . 50 ILE HA . 11184 1 538 . 1 1 50 50 ILE HB H 1 1.179 0.030 . 1 . . . . 50 ILE HB . 11184 1 539 . 1 1 50 50 ILE HD11 H 1 0.020 0.030 . 1 . . . . 50 ILE HD1 . 11184 1 540 . 1 1 50 50 ILE HD12 H 1 0.020 0.030 . 1 . . . . 50 ILE HD1 . 11184 1 541 . 1 1 50 50 ILE HD13 H 1 0.020 0.030 . 1 . . . . 50 ILE HD1 . 11184 1 542 . 1 1 50 50 ILE HG12 H 1 0.641 0.030 . 2 . . . . 50 ILE HG12 . 11184 1 543 . 1 1 50 50 ILE HG13 H 1 1.138 0.030 . 2 . . . . 50 ILE HG13 . 11184 1 544 . 1 1 50 50 ILE HG21 H 1 0.490 0.030 . 1 . . . . 50 ILE HG2 . 11184 1 545 . 1 1 50 50 ILE HG22 H 1 0.490 0.030 . 1 . . . . 50 ILE HG2 . 11184 1 546 . 1 1 50 50 ILE HG23 H 1 0.490 0.030 . 1 . . . . 50 ILE HG2 . 11184 1 547 . 1 1 50 50 ILE C C 13 174.233 0.300 . 1 . . . . 50 ILE C . 11184 1 548 . 1 1 50 50 ILE CA C 13 60.004 0.300 . 1 . . . . 50 ILE CA . 11184 1 549 . 1 1 50 50 ILE CB C 13 42.149 0.300 . 1 . . . . 50 ILE CB . 11184 1 550 . 1 1 50 50 ILE CD1 C 13 13.693 0.300 . 1 . . . . 50 ILE CD1 . 11184 1 551 . 1 1 50 50 ILE CG1 C 13 27.490 0.300 . 1 . . . . 50 ILE CG1 . 11184 1 552 . 1 1 50 50 ILE CG2 C 13 17.895 0.300 . 1 . . . . 50 ILE CG2 . 11184 1 553 . 1 1 50 50 ILE N N 15 131.706 0.300 . 1 . . . . 50 ILE N . 11184 1 554 . 1 1 51 51 LYS H H 1 8.346 0.030 . 1 . . . . 51 LYS H . 11184 1 555 . 1 1 51 51 LYS HA H 1 4.837 0.030 . 1 . . . . 51 LYS HA . 11184 1 556 . 1 1 51 51 LYS HB2 H 1 1.386 0.030 . 2 . . . . 51 LYS HB2 . 11184 1 557 . 1 1 51 51 LYS HB3 H 1 1.720 0.030 . 2 . . . . 51 LYS HB3 . 11184 1 558 . 1 1 51 51 LYS HD2 H 1 1.579 0.030 . 1 . . . . 51 LYS HD2 . 11184 1 559 . 1 1 51 51 LYS HD3 H 1 1.579 0.030 . 1 . . . . 51 LYS HD3 . 11184 1 560 . 1 1 51 51 LYS HE2 H 1 2.845 0.030 . 1 . . . . 51 LYS HE2 . 11184 1 561 . 1 1 51 51 LYS HE3 H 1 2.845 0.030 . 1 . . . . 51 LYS HE3 . 11184 1 562 . 1 1 51 51 LYS HG2 H 1 1.072 0.030 . 2 . . . . 51 LYS HG2 . 11184 1 563 . 1 1 51 51 LYS HG3 H 1 1.442 0.030 . 2 . . . . 51 LYS HG3 . 11184 1 564 . 1 1 51 51 LYS C C 13 174.647 0.300 . 1 . . . . 51 LYS C . 11184 1 565 . 1 1 51 51 LYS CA C 13 55.547 0.300 . 1 . . . . 51 LYS CA . 11184 1 566 . 1 1 51 51 LYS CB C 13 33.903 0.300 . 1 . . . . 51 LYS CB . 11184 1 567 . 1 1 51 51 LYS CD C 13 29.645 0.300 . 1 . . . . 51 LYS CD . 11184 1 568 . 1 1 51 51 LYS CE C 13 41.993 0.300 . 1 . . . . 51 LYS CE . 11184 1 569 . 1 1 51 51 LYS CG C 13 25.498 0.300 . 1 . . . . 51 LYS CG . 11184 1 570 . 1 1 51 51 LYS N N 15 126.452 0.300 . 1 . . . . 51 LYS N . 11184 1 571 . 1 1 52 52 VAL H H 1 8.940 0.030 . 1 . . . . 52 VAL H . 11184 1 572 . 1 1 52 52 VAL HA H 1 4.298 0.030 . 1 . . . . 52 VAL HA . 11184 1 573 . 1 1 52 52 VAL HB H 1 1.294 0.030 . 1 . . . . 52 VAL HB . 11184 1 574 . 1 1 52 52 VAL HG11 H 1 -0.247 0.030 . 1 . . . . 52 VAL HG1 . 11184 1 575 . 1 1 52 52 VAL HG12 H 1 -0.247 0.030 . 1 . . . . 52 VAL HG1 . 11184 1 576 . 1 1 52 52 VAL HG13 H 1 -0.247 0.030 . 1 . . . . 52 VAL HG1 . 11184 1 577 . 1 1 52 52 VAL HG21 H 1 0.251 0.030 . 1 . . . . 52 VAL HG2 . 11184 1 578 . 1 1 52 52 VAL HG22 H 1 0.251 0.030 . 1 . . . . 52 VAL HG2 . 11184 1 579 . 1 1 52 52 VAL HG23 H 1 0.251 0.030 . 1 . . . . 52 VAL HG2 . 11184 1 580 . 1 1 52 52 VAL C C 13 174.418 0.300 . 1 . . . . 52 VAL C . 11184 1 581 . 1 1 52 52 VAL CA C 13 61.252 0.300 . 1 . . . . 52 VAL CA . 11184 1 582 . 1 1 52 52 VAL CB C 13 35.101 0.300 . 1 . . . . 52 VAL CB . 11184 1 583 . 1 1 52 52 VAL CG1 C 13 21.434 0.300 . 2 . . . . 52 VAL CG1 . 11184 1 584 . 1 1 52 52 VAL CG2 C 13 20.230 0.300 . 2 . . . . 52 VAL CG2 . 11184 1 585 . 1 1 52 52 VAL N N 15 124.259 0.300 . 1 . . . . 52 VAL N . 11184 1 586 . 1 1 53 53 TYR H H 1 8.318 0.030 . 1 . . . . 53 TYR H . 11184 1 587 . 1 1 53 53 TYR HA H 1 4.926 0.030 . 1 . . . . 53 TYR HA . 11184 1 588 . 1 1 53 53 TYR HB2 H 1 2.619 0.030 . 2 . . . . 53 TYR HB2 . 11184 1 589 . 1 1 53 53 TYR HB3 H 1 2.952 0.030 . 2 . . . . 53 TYR HB3 . 11184 1 590 . 1 1 53 53 TYR HD1 H 1 6.958 0.030 . 1 . . . . 53 TYR HD1 . 11184 1 591 . 1 1 53 53 TYR HD2 H 1 6.958 0.030 . 1 . . . . 53 TYR HD2 . 11184 1 592 . 1 1 53 53 TYR HE1 H 1 6.715 0.030 . 1 . . . . 53 TYR HE1 . 11184 1 593 . 1 1 53 53 TYR HE2 H 1 6.715 0.030 . 1 . . . . 53 TYR HE2 . 11184 1 594 . 1 1 53 53 TYR C C 13 176.524 0.300 . 1 . . . . 53 TYR C . 11184 1 595 . 1 1 53 53 TYR CA C 13 56.143 0.300 . 1 . . . . 53 TYR CA . 11184 1 596 . 1 1 53 53 TYR CB C 13 39.734 0.300 . 1 . . . . 53 TYR CB . 11184 1 597 . 1 1 53 53 TYR CD1 C 13 133.186 0.300 . 1 . . . . 53 TYR CD1 . 11184 1 598 . 1 1 53 53 TYR CD2 C 13 133.186 0.300 . 1 . . . . 53 TYR CD2 . 11184 1 599 . 1 1 53 53 TYR CE1 C 13 117.617 0.300 . 1 . . . . 53 TYR CE1 . 11184 1 600 . 1 1 53 53 TYR CE2 C 13 117.617 0.300 . 1 . . . . 53 TYR CE2 . 11184 1 601 . 1 1 53 53 TYR N N 15 125.595 0.300 . 1 . . . . 53 TYR N . 11184 1 602 . 1 1 54 54 GLY H H 1 9.167 0.030 . 1 . . . . 54 GLY H . 11184 1 603 . 1 1 54 54 GLY HA2 H 1 3.811 0.030 . 2 . . . . 54 GLY HA2 . 11184 1 604 . 1 1 54 54 GLY HA3 H 1 4.209 0.030 . 2 . . . . 54 GLY HA3 . 11184 1 605 . 1 1 54 54 GLY C C 13 172.250 0.300 . 1 . . . . 54 GLY C . 11184 1 606 . 1 1 54 54 GLY CA C 13 45.438 0.300 . 1 . . . . 54 GLY CA . 11184 1 607 . 1 1 54 54 GLY N N 15 114.262 0.300 . 1 . . . . 54 GLY N . 11184 1 608 . 1 1 55 55 ASP H H 1 8.582 0.030 . 1 . . . . 55 ASP H . 11184 1 609 . 1 1 55 55 ASP HA H 1 5.007 0.030 . 1 . . . . 55 ASP HA . 11184 1 610 . 1 1 55 55 ASP HB2 H 1 2.576 0.030 . 2 . . . . 55 ASP HB2 . 11184 1 611 . 1 1 55 55 ASP HB3 H 1 2.898 0.030 . 2 . . . . 55 ASP HB3 . 11184 1 612 . 1 1 55 55 ASP C C 13 176.560 0.300 . 1 . . . . 55 ASP C . 11184 1 613 . 1 1 55 55 ASP CA C 13 52.209 0.300 . 1 . . . . 55 ASP CA . 11184 1 614 . 1 1 55 55 ASP CB C 13 44.135 0.300 . 1 . . . . 55 ASP CB . 11184 1 615 . 1 1 55 55 ASP N N 15 120.868 0.300 . 1 . . . . 55 ASP N . 11184 1 616 . 1 1 56 56 LYS H H 1 8.758 0.030 . 1 . . . . 56 LYS H . 11184 1 617 . 1 1 56 56 LYS HA H 1 4.066 0.030 . 1 . . . . 56 LYS HA . 11184 1 618 . 1 1 56 56 LYS HB2 H 1 1.097 0.030 . 2 . . . . 56 LYS HB2 . 11184 1 619 . 1 1 56 56 LYS HB3 H 1 1.259 0.030 . 2 . . . . 56 LYS HB3 . 11184 1 620 . 1 1 56 56 LYS HD2 H 1 1.460 0.030 . 2 . . . . 56 LYS HD2 . 11184 1 621 . 1 1 56 56 LYS HD3 H 1 1.546 0.030 . 2 . . . . 56 LYS HD3 . 11184 1 622 . 1 1 56 56 LYS HE2 H 1 2.960 0.030 . 1 . . . . 56 LYS HE2 . 11184 1 623 . 1 1 56 56 LYS HE3 H 1 2.960 0.030 . 1 . . . . 56 LYS HE3 . 11184 1 624 . 1 1 56 56 LYS HG2 H 1 1.143 0.030 . 2 . . . . 56 LYS HG2 . 11184 1 625 . 1 1 56 56 LYS HG3 H 1 1.240 0.030 . 2 . . . . 56 LYS HG3 . 11184 1 626 . 1 1 56 56 LYS C C 13 176.024 0.300 . 1 . . . . 56 LYS C . 11184 1 627 . 1 1 56 56 LYS CA C 13 56.011 0.300 . 1 . . . . 56 LYS CA . 11184 1 628 . 1 1 56 56 LYS CB C 13 33.043 0.300 . 1 . . . . 56 LYS CB . 11184 1 629 . 1 1 56 56 LYS CD C 13 30.151 0.300 . 1 . . . . 56 LYS CD . 11184 1 630 . 1 1 56 56 LYS CE C 13 42.023 0.300 . 1 . . . . 56 LYS CE . 11184 1 631 . 1 1 56 56 LYS CG C 13 23.427 0.300 . 1 . . . . 56 LYS CG . 11184 1 632 . 1 1 56 56 LYS N N 15 121.213 0.300 . 1 . . . . 56 LYS N . 11184 1 633 . 1 1 57 57 ASP H H 1 8.613 0.030 . 1 . . . . 57 ASP H . 11184 1 634 . 1 1 57 57 ASP HA H 1 4.686 0.030 . 1 . . . . 57 ASP HA . 11184 1 635 . 1 1 57 57 ASP HB2 H 1 2.828 0.030 . 2 . . . . 57 ASP HB2 . 11184 1 636 . 1 1 57 57 ASP HB3 H 1 3.281 0.030 . 2 . . . . 57 ASP HB3 . 11184 1 637 . 1 1 57 57 ASP C C 13 177.965 0.300 . 1 . . . . 57 ASP C . 11184 1 638 . 1 1 57 57 ASP CA C 13 52.422 0.300 . 1 . . . . 57 ASP CA . 11184 1 639 . 1 1 57 57 ASP CB C 13 41.796 0.300 . 1 . . . . 57 ASP CB . 11184 1 640 . 1 1 57 57 ASP N N 15 123.210 0.300 . 1 . . . . 57 ASP N . 11184 1 641 . 1 1 58 58 ALA H H 1 8.372 0.030 . 1 . . . . 58 ALA H . 11184 1 642 . 1 1 58 58 ALA HA H 1 4.106 0.030 . 1 . . . . 58 ALA HA . 11184 1 643 . 1 1 58 58 ALA HB1 H 1 1.423 0.030 . 1 . . . . 58 ALA HB . 11184 1 644 . 1 1 58 58 ALA HB2 H 1 1.423 0.030 . 1 . . . . 58 ALA HB . 11184 1 645 . 1 1 58 58 ALA HB3 H 1 1.423 0.030 . 1 . . . . 58 ALA HB . 11184 1 646 . 1 1 58 58 ALA C C 13 178.341 0.300 . 1 . . . . 58 ALA C . 11184 1 647 . 1 1 58 58 ALA CA C 13 54.173 0.300 . 1 . . . . 58 ALA CA . 11184 1 648 . 1 1 58 58 ALA CB C 13 18.834 0.300 . 1 . . . . 58 ALA CB . 11184 1 649 . 1 1 58 58 ALA N N 15 120.066 0.300 . 1 . . . . 58 ALA N . 11184 1 650 . 1 1 59 59 ASP H H 1 8.259 0.030 . 1 . . . . 59 ASP H . 11184 1 651 . 1 1 59 59 ASP HA H 1 4.737 0.030 . 1 . . . . 59 ASP HA . 11184 1 652 . 1 1 59 59 ASP HB2 H 1 2.843 0.030 . 2 . . . . 59 ASP HB2 . 11184 1 653 . 1 1 59 59 ASP HB3 H 1 2.996 0.030 . 2 . . . . 59 ASP HB3 . 11184 1 654 . 1 1 59 59 ASP C C 13 175.612 0.300 . 1 . . . . 59 ASP C . 11184 1 655 . 1 1 59 59 ASP CA C 13 54.299 0.300 . 1 . . . . 59 ASP CA . 11184 1 656 . 1 1 59 59 ASP CB C 13 42.116 0.300 . 1 . . . . 59 ASP CB . 11184 1 657 . 1 1 59 59 ASP N N 15 116.765 0.300 . 1 . . . . 59 ASP N . 11184 1 658 . 1 1 60 60 GLY H H 1 7.950 0.030 . 1 . . . . 60 GLY H . 11184 1 659 . 1 1 60 60 GLY HA2 H 1 3.353 0.030 . 2 . . . . 60 GLY HA2 . 11184 1 660 . 1 1 60 60 GLY HA3 H 1 3.984 0.030 . 2 . . . . 60 GLY HA3 . 11184 1 661 . 1 1 60 60 GLY C C 13 173.433 0.300 . 1 . . . . 60 GLY C . 11184 1 662 . 1 1 60 60 GLY CA C 13 45.796 0.300 . 1 . . . . 60 GLY CA . 11184 1 663 . 1 1 60 60 GLY N N 15 106.747 0.300 . 1 . . . . 60 GLY N . 11184 1 664 . 1 1 61 61 PHE H H 1 8.657 0.030 . 1 . . . . 61 PHE H . 11184 1 665 . 1 1 61 61 PHE HA H 1 5.080 0.030 . 1 . . . . 61 PHE HA . 11184 1 666 . 1 1 61 61 PHE HB2 H 1 2.771 0.030 . 2 . . . . 61 PHE HB2 . 11184 1 667 . 1 1 61 61 PHE HB3 H 1 3.246 0.030 . 2 . . . . 61 PHE HB3 . 11184 1 668 . 1 1 61 61 PHE HD1 H 1 6.974 0.030 . 1 . . . . 61 PHE HD1 . 11184 1 669 . 1 1 61 61 PHE HD2 H 1 6.974 0.030 . 1 . . . . 61 PHE HD2 . 11184 1 670 . 1 1 61 61 PHE HE1 H 1 7.217 0.030 . 1 . . . . 61 PHE HE1 . 11184 1 671 . 1 1 61 61 PHE HE2 H 1 7.217 0.030 . 1 . . . . 61 PHE HE2 . 11184 1 672 . 1 1 61 61 PHE HZ H 1 7.213 0.030 . 1 . . . . 61 PHE HZ . 11184 1 673 . 1 1 61 61 PHE C C 13 177.007 0.300 . 1 . . . . 61 PHE C . 11184 1 674 . 1 1 61 61 PHE CA C 13 57.524 0.300 . 1 . . . . 61 PHE CA . 11184 1 675 . 1 1 61 61 PHE CB C 13 41.638 0.300 . 1 . . . . 61 PHE CB . 11184 1 676 . 1 1 61 61 PHE CD1 C 13 131.913 0.300 . 1 . . . . 61 PHE CD1 . 11184 1 677 . 1 1 61 61 PHE CD2 C 13 131.913 0.300 . 1 . . . . 61 PHE CD2 . 11184 1 678 . 1 1 61 61 PHE CE1 C 13 131.402 0.300 . 1 . . . . 61 PHE CE1 . 11184 1 679 . 1 1 61 61 PHE CE2 C 13 131.402 0.300 . 1 . . . . 61 PHE CE2 . 11184 1 680 . 1 1 61 61 PHE CZ C 13 130.809 0.300 . 1 . . . . 61 PHE CZ . 11184 1 681 . 1 1 61 61 PHE N N 15 120.356 0.300 . 1 . . . . 61 PHE N . 11184 1 682 . 1 1 62 62 TYR H H 1 9.218 0.030 . 1 . . . . 62 TYR H . 11184 1 683 . 1 1 62 62 TYR HA H 1 4.723 0.030 . 1 . . . . 62 TYR HA . 11184 1 684 . 1 1 62 62 TYR HB2 H 1 2.191 0.030 . 2 . . . . 62 TYR HB2 . 11184 1 685 . 1 1 62 62 TYR HB3 H 1 2.904 0.030 . 2 . . . . 62 TYR HB3 . 11184 1 686 . 1 1 62 62 TYR HD1 H 1 6.485 0.030 . 1 . . . . 62 TYR HD1 . 11184 1 687 . 1 1 62 62 TYR HD2 H 1 6.485 0.030 . 1 . . . . 62 TYR HD2 . 11184 1 688 . 1 1 62 62 TYR HE1 H 1 6.623 0.030 . 1 . . . . 62 TYR HE1 . 11184 1 689 . 1 1 62 62 TYR HE2 H 1 6.623 0.030 . 1 . . . . 62 TYR HE2 . 11184 1 690 . 1 1 62 62 TYR C C 13 175.656 0.300 . 1 . . . . 62 TYR C . 11184 1 691 . 1 1 62 62 TYR CA C 13 56.568 0.300 . 1 . . . . 62 TYR CA . 11184 1 692 . 1 1 62 62 TYR CB C 13 41.742 0.300 . 1 . . . . 62 TYR CB . 11184 1 693 . 1 1 62 62 TYR CD1 C 13 132.177 0.300 . 1 . . . . 62 TYR CD1 . 11184 1 694 . 1 1 62 62 TYR CD2 C 13 132.177 0.300 . 1 . . . . 62 TYR CD2 . 11184 1 695 . 1 1 62 62 TYR CE1 C 13 117.942 0.300 . 1 . . . . 62 TYR CE1 . 11184 1 696 . 1 1 62 62 TYR CE2 C 13 117.942 0.300 . 1 . . . . 62 TYR CE2 . 11184 1 697 . 1 1 62 62 TYR N N 15 119.258 0.300 . 1 . . . . 62 TYR N . 11184 1 698 . 1 1 63 63 ARG H H 1 9.506 0.030 . 1 . . . . 63 ARG H . 11184 1 699 . 1 1 63 63 ARG HA H 1 4.823 0.030 . 1 . . . . 63 ARG HA . 11184 1 700 . 1 1 63 63 ARG HB2 H 1 1.916 0.030 . 2 . . . . 63 ARG HB2 . 11184 1 701 . 1 1 63 63 ARG HB3 H 1 2.021 0.030 . 2 . . . . 63 ARG HB3 . 11184 1 702 . 1 1 63 63 ARG HD2 H 1 3.223 0.030 . 1 . . . . 63 ARG HD2 . 11184 1 703 . 1 1 63 63 ARG HD3 H 1 3.223 0.030 . 1 . . . . 63 ARG HD3 . 11184 1 704 . 1 1 63 63 ARG HE H 1 7.396 0.030 . 1 . . . . 63 ARG HE . 11184 1 705 . 1 1 63 63 ARG HG2 H 1 1.662 0.030 . 2 . . . . 63 ARG HG2 . 11184 1 706 . 1 1 63 63 ARG HG3 H 1 1.737 0.030 . 2 . . . . 63 ARG HG3 . 11184 1 707 . 1 1 63 63 ARG C C 13 175.278 0.300 . 1 . . . . 63 ARG C . 11184 1 708 . 1 1 63 63 ARG CA C 13 55.787 0.300 . 1 . . . . 63 ARG CA . 11184 1 709 . 1 1 63 63 ARG CB C 13 30.412 0.300 . 1 . . . . 63 ARG CB . 11184 1 710 . 1 1 63 63 ARG CD C 13 43.314 0.300 . 1 . . . . 63 ARG CD . 11184 1 711 . 1 1 63 63 ARG CG C 13 27.859 0.300 . 1 . . . . 63 ARG CG . 11184 1 712 . 1 1 63 63 ARG N N 15 122.654 0.300 . 1 . . . . 63 ARG N . 11184 1 713 . 1 1 63 63 ARG NE N 15 84.823 0.300 . 1 . . . . 63 ARG NE . 11184 1 714 . 1 1 64 64 GLY H H 1 8.854 0.030 . 1 . . . . 64 GLY H . 11184 1 715 . 1 1 64 64 GLY HA2 H 1 3.693 0.030 . 2 . . . . 64 GLY HA2 . 11184 1 716 . 1 1 64 64 GLY HA3 H 1 4.926 0.030 . 2 . . . . 64 GLY HA3 . 11184 1 717 . 1 1 64 64 GLY C C 13 171.364 0.300 . 1 . . . . 64 GLY C . 11184 1 718 . 1 1 64 64 GLY CA C 13 46.133 0.300 . 1 . . . . 64 GLY CA . 11184 1 719 . 1 1 64 64 GLY N N 15 111.225 0.300 . 1 . . . . 64 GLY N . 11184 1 720 . 1 1 65 65 GLU H H 1 9.169 0.030 . 1 . . . . 65 GLU H . 11184 1 721 . 1 1 65 65 GLU HA H 1 5.670 0.030 . 1 . . . . 65 GLU HA . 11184 1 722 . 1 1 65 65 GLU HB2 H 1 2.016 0.030 . 2 . . . . 65 GLU HB2 . 11184 1 723 . 1 1 65 65 GLU HB3 H 1 2.093 0.030 . 2 . . . . 65 GLU HB3 . 11184 1 724 . 1 1 65 65 GLU HG2 H 1 2.063 0.030 . 2 . . . . 65 GLU HG2 . 11184 1 725 . 1 1 65 65 GLU HG3 H 1 2.174 0.030 . 2 . . . . 65 GLU HG3 . 11184 1 726 . 1 1 65 65 GLU C C 13 176.033 0.300 . 1 . . . . 65 GLU C . 11184 1 727 . 1 1 65 65 GLU CA C 13 54.439 0.300 . 1 . . . . 65 GLU CA . 11184 1 728 . 1 1 65 65 GLU CB C 13 35.068 0.300 . 1 . . . . 65 GLU CB . 11184 1 729 . 1 1 65 65 GLU CG C 13 35.934 0.300 . 1 . . . . 65 GLU CG . 11184 1 730 . 1 1 65 65 GLU N N 15 118.452 0.300 . 1 . . . . 65 GLU N . 11184 1 731 . 1 1 66 66 THR H H 1 8.630 0.030 . 1 . . . . 66 THR H . 11184 1 732 . 1 1 66 66 THR HA H 1 4.734 0.030 . 1 . . . . 66 THR HA . 11184 1 733 . 1 1 66 66 THR HB H 1 4.454 0.030 . 1 . . . . 66 THR HB . 11184 1 734 . 1 1 66 66 THR HG21 H 1 1.268 0.030 . 1 . . . . 66 THR HG2 . 11184 1 735 . 1 1 66 66 THR HG22 H 1 1.268 0.030 . 1 . . . . 66 THR HG2 . 11184 1 736 . 1 1 66 66 THR HG23 H 1 1.268 0.030 . 1 . . . . 66 THR HG2 . 11184 1 737 . 1 1 66 66 THR C C 13 173.497 0.300 . 1 . . . . 66 THR C . 11184 1 738 . 1 1 66 66 THR CA C 13 61.562 0.300 . 1 . . . . 66 THR CA . 11184 1 739 . 1 1 66 66 THR CB C 13 70.056 0.300 . 1 . . . . 66 THR CB . 11184 1 740 . 1 1 66 66 THR CG2 C 13 20.279 0.300 . 1 . . . . 66 THR CG2 . 11184 1 741 . 1 1 66 66 THR N N 15 118.031 0.300 . 1 . . . . 66 THR N . 11184 1 742 . 1 1 67 67 CYS HA H 1 4.144 0.030 . 1 . . . . 67 CYS HA . 11184 1 743 . 1 1 67 67 CYS HB2 H 1 3.044 0.030 . 2 . . . . 67 CYS HB2 . 11184 1 744 . 1 1 67 67 CYS HB3 H 1 3.160 0.030 . 2 . . . . 67 CYS HB3 . 11184 1 745 . 1 1 67 67 CYS C C 13 174.006 0.300 . 1 . . . . 67 CYS C . 11184 1 746 . 1 1 67 67 CYS CA C 13 60.679 0.300 . 1 . . . . 67 CYS CA . 11184 1 747 . 1 1 67 67 CYS CB C 13 26.418 0.300 . 1 . . . . 67 CYS CB . 11184 1 748 . 1 1 68 68 ALA H H 1 8.807 0.030 . 1 . . . . 68 ALA H . 11184 1 749 . 1 1 68 68 ALA HA H 1 4.068 0.030 . 1 . . . . 68 ALA HA . 11184 1 750 . 1 1 68 68 ALA HB1 H 1 1.506 0.030 . 1 . . . . 68 ALA HB . 11184 1 751 . 1 1 68 68 ALA HB2 H 1 1.506 0.030 . 1 . . . . 68 ALA HB . 11184 1 752 . 1 1 68 68 ALA HB3 H 1 1.506 0.030 . 1 . . . . 68 ALA HB . 11184 1 753 . 1 1 68 68 ALA C C 13 176.068 0.300 . 1 . . . . 68 ALA C . 11184 1 754 . 1 1 68 68 ALA CA C 13 53.406 0.300 . 1 . . . . 68 ALA CA . 11184 1 755 . 1 1 68 68 ALA CB C 13 18.113 0.300 . 1 . . . . 68 ALA CB . 11184 1 756 . 1 1 68 68 ALA N N 15 116.427 0.300 . 1 . . . . 68 ALA N . 11184 1 757 . 1 1 69 69 ARG H H 1 7.803 0.030 . 1 . . . . 69 ARG H . 11184 1 758 . 1 1 69 69 ARG HA H 1 4.654 0.030 . 1 . . . . 69 ARG HA . 11184 1 759 . 1 1 69 69 ARG HB2 H 1 1.811 0.030 . 2 . . . . 69 ARG HB2 . 11184 1 760 . 1 1 69 69 ARG HB3 H 1 1.964 0.030 . 2 . . . . 69 ARG HB3 . 11184 1 761 . 1 1 69 69 ARG HD2 H 1 3.168 0.030 . 2 . . . . 69 ARG HD2 . 11184 1 762 . 1 1 69 69 ARG HD3 H 1 3.301 0.030 . 2 . . . . 69 ARG HD3 . 11184 1 763 . 1 1 69 69 ARG HG2 H 1 1.615 0.030 . 2 . . . . 69 ARG HG2 . 11184 1 764 . 1 1 69 69 ARG HG3 H 1 1.754 0.030 . 2 . . . . 69 ARG HG3 . 11184 1 765 . 1 1 69 69 ARG C C 13 173.435 0.300 . 1 . . . . 69 ARG C . 11184 1 766 . 1 1 69 69 ARG CA C 13 55.435 0.300 . 1 . . . . 69 ARG CA . 11184 1 767 . 1 1 69 69 ARG CB C 13 33.329 0.300 . 1 . . . . 69 ARG CB . 11184 1 768 . 1 1 69 69 ARG CD C 13 43.909 0.300 . 1 . . . . 69 ARG CD . 11184 1 769 . 1 1 69 69 ARG CG C 13 27.021 0.300 . 1 . . . . 69 ARG CG . 11184 1 770 . 1 1 69 69 ARG N N 15 119.392 0.300 . 1 . . . . 69 ARG N . 11184 1 771 . 1 1 70 70 LEU H H 1 8.279 0.030 . 1 . . . . 70 LEU H . 11184 1 772 . 1 1 70 70 LEU HA H 1 5.387 0.030 . 1 . . . . 70 LEU HA . 11184 1 773 . 1 1 70 70 LEU HB2 H 1 1.656 0.030 . 1 . . . . 70 LEU HB2 . 11184 1 774 . 1 1 70 70 LEU HB3 H 1 1.656 0.030 . 1 . . . . 70 LEU HB3 . 11184 1 775 . 1 1 70 70 LEU HD11 H 1 0.874 0.030 . 1 . . . . 70 LEU HD1 . 11184 1 776 . 1 1 70 70 LEU HD12 H 1 0.874 0.030 . 1 . . . . 70 LEU HD1 . 11184 1 777 . 1 1 70 70 LEU HD13 H 1 0.874 0.030 . 1 . . . . 70 LEU HD1 . 11184 1 778 . 1 1 70 70 LEU HD21 H 1 0.876 0.030 . 1 . . . . 70 LEU HD2 . 11184 1 779 . 1 1 70 70 LEU HD22 H 1 0.876 0.030 . 1 . . . . 70 LEU HD2 . 11184 1 780 . 1 1 70 70 LEU HD23 H 1 0.876 0.030 . 1 . . . . 70 LEU HD2 . 11184 1 781 . 1 1 70 70 LEU HG H 1 1.671 0.030 . 1 . . . . 70 LEU HG . 11184 1 782 . 1 1 70 70 LEU C C 13 178.007 0.300 . 1 . . . . 70 LEU C . 11184 1 783 . 1 1 70 70 LEU CA C 13 53.951 0.300 . 1 . . . . 70 LEU CA . 11184 1 784 . 1 1 70 70 LEU CB C 13 44.537 0.300 . 1 . . . . 70 LEU CB . 11184 1 785 . 1 1 70 70 LEU CD1 C 13 25.007 0.300 . 2 . . . . 70 LEU CD1 . 11184 1 786 . 1 1 70 70 LEU CD2 C 13 25.007 0.300 . 2 . . . . 70 LEU CD2 . 11184 1 787 . 1 1 70 70 LEU CG C 13 28.183 0.300 . 1 . . . . 70 LEU CG . 11184 1 788 . 1 1 70 70 LEU N N 15 123.073 0.300 . 1 . . . . 70 LEU N . 11184 1 789 . 1 1 71 71 GLY H H 1 8.947 0.030 . 1 . . . . 71 GLY H . 11184 1 790 . 1 1 71 71 GLY HA2 H 1 3.968 0.030 . 2 . . . . 71 GLY HA2 . 11184 1 791 . 1 1 71 71 GLY HA3 H 1 4.264 0.030 . 2 . . . . 71 GLY HA3 . 11184 1 792 . 1 1 71 71 GLY C C 13 170.662 0.300 . 1 . . . . 71 GLY C . 11184 1 793 . 1 1 71 71 GLY CA C 13 46.144 0.300 . 1 . . . . 71 GLY CA . 11184 1 794 . 1 1 71 71 GLY N N 15 110.554 0.300 . 1 . . . . 71 GLY N . 11184 1 795 . 1 1 72 72 LEU H H 1 8.436 0.030 . 1 . . . . 72 LEU H . 11184 1 796 . 1 1 72 72 LEU HA H 1 5.371 0.030 . 1 . . . . 72 LEU HA . 11184 1 797 . 1 1 72 72 LEU HB2 H 1 1.160 0.030 . 2 . . . . 72 LEU HB2 . 11184 1 798 . 1 1 72 72 LEU HB3 H 1 1.342 0.030 . 2 . . . . 72 LEU HB3 . 11184 1 799 . 1 1 72 72 LEU HD11 H 1 0.657 0.030 . 1 . . . . 72 LEU HD1 . 11184 1 800 . 1 1 72 72 LEU HD12 H 1 0.657 0.030 . 1 . . . . 72 LEU HD1 . 11184 1 801 . 1 1 72 72 LEU HD13 H 1 0.657 0.030 . 1 . . . . 72 LEU HD1 . 11184 1 802 . 1 1 72 72 LEU HD21 H 1 0.390 0.030 . 1 . . . . 72 LEU HD2 . 11184 1 803 . 1 1 72 72 LEU HD22 H 1 0.390 0.030 . 1 . . . . 72 LEU HD2 . 11184 1 804 . 1 1 72 72 LEU HD23 H 1 0.390 0.030 . 1 . . . . 72 LEU HD2 . 11184 1 805 . 1 1 72 72 LEU HG H 1 1.501 0.030 . 1 . . . . 72 LEU HG . 11184 1 806 . 1 1 72 72 LEU C C 13 177.639 0.300 . 1 . . . . 72 LEU C . 11184 1 807 . 1 1 72 72 LEU CA C 13 54.337 0.300 . 1 . . . . 72 LEU CA . 11184 1 808 . 1 1 72 72 LEU CB C 13 44.111 0.300 . 1 . . . . 72 LEU CB . 11184 1 809 . 1 1 72 72 LEU CD1 C 13 22.528 0.300 . 2 . . . . 72 LEU CD1 . 11184 1 810 . 1 1 72 72 LEU CD2 C 13 25.154 0.300 . 2 . . . . 72 LEU CD2 . 11184 1 811 . 1 1 72 72 LEU CG C 13 27.036 0.300 . 1 . . . . 72 LEU CG . 11184 1 812 . 1 1 72 72 LEU N N 15 119.630 0.300 . 1 . . . . 72 LEU N . 11184 1 813 . 1 1 73 73 ILE H H 1 9.299 0.030 . 1 . . . . 73 ILE H . 11184 1 814 . 1 1 73 73 ILE HA H 1 5.077 0.030 . 1 . . . . 73 ILE HA . 11184 1 815 . 1 1 73 73 ILE HB H 1 1.778 0.030 . 1 . . . . 73 ILE HB . 11184 1 816 . 1 1 73 73 ILE HD11 H 1 0.600 0.030 . 1 . . . . 73 ILE HD1 . 11184 1 817 . 1 1 73 73 ILE HD12 H 1 0.600 0.030 . 1 . . . . 73 ILE HD1 . 11184 1 818 . 1 1 73 73 ILE HD13 H 1 0.600 0.030 . 1 . . . . 73 ILE HD1 . 11184 1 819 . 1 1 73 73 ILE HG12 H 1 1.195 0.030 . 2 . . . . 73 ILE HG12 . 11184 1 820 . 1 1 73 73 ILE HG13 H 1 1.323 0.030 . 2 . . . . 73 ILE HG13 . 11184 1 821 . 1 1 73 73 ILE HG21 H 1 0.723 0.030 . 1 . . . . 73 ILE HG2 . 11184 1 822 . 1 1 73 73 ILE HG22 H 1 0.723 0.030 . 1 . . . . 73 ILE HG2 . 11184 1 823 . 1 1 73 73 ILE HG23 H 1 0.723 0.030 . 1 . . . . 73 ILE HG2 . 11184 1 824 . 1 1 73 73 ILE C C 13 174.023 0.300 . 1 . . . . 73 ILE C . 11184 1 825 . 1 1 73 73 ILE CA C 13 56.807 0.300 . 1 . . . . 73 ILE CA . 11184 1 826 . 1 1 73 73 ILE CB C 13 42.558 0.300 . 1 . . . . 73 ILE CB . 11184 1 827 . 1 1 73 73 ILE CD1 C 13 14.781 0.300 . 1 . . . . 73 ILE CD1 . 11184 1 828 . 1 1 73 73 ILE CG1 C 13 27.216 0.300 . 1 . . . . 73 ILE CG1 . 11184 1 829 . 1 1 73 73 ILE CG2 C 13 19.027 0.300 . 1 . . . . 73 ILE CG2 . 11184 1 830 . 1 1 73 73 ILE N N 15 119.335 0.300 . 1 . . . . 73 ILE N . 11184 1 831 . 1 1 74 74 PRO HA H 1 4.059 0.030 . 1 . . . . 74 PRO HA . 11184 1 832 . 1 1 74 74 PRO HB2 H 1 1.782 0.030 . 2 . . . . 74 PRO HB2 . 11184 1 833 . 1 1 74 74 PRO HB3 H 1 2.000 0.030 . 2 . . . . 74 PRO HB3 . 11184 1 834 . 1 1 74 74 PRO HD2 H 1 3.576 0.030 . 2 . . . . 74 PRO HD2 . 11184 1 835 . 1 1 74 74 PRO HD3 H 1 4.052 0.030 . 2 . . . . 74 PRO HD3 . 11184 1 836 . 1 1 74 74 PRO HG2 H 1 1.572 0.030 . 1 . . . . 74 PRO HG2 . 11184 1 837 . 1 1 74 74 PRO HG3 H 1 1.572 0.030 . 1 . . . . 74 PRO HG3 . 11184 1 838 . 1 1 74 74 PRO C C 13 179.183 0.300 . 1 . . . . 74 PRO C . 11184 1 839 . 1 1 74 74 PRO CA C 13 63.135 0.300 . 1 . . . . 74 PRO CA . 11184 1 840 . 1 1 74 74 PRO CB C 13 31.722 0.300 . 1 . . . . 74 PRO CB . 11184 1 841 . 1 1 74 74 PRO CD C 13 51.500 0.300 . 1 . . . . 74 PRO CD . 11184 1 842 . 1 1 74 74 PRO CG C 13 27.810 0.300 . 1 . . . . 74 PRO CG . 11184 1 843 . 1 1 75 75 CYS H H 1 8.277 0.030 . 1 . . . . 75 CYS H . 11184 1 844 . 1 1 75 75 CYS HA H 1 4.000 0.030 . 1 . . . . 75 CYS HA . 11184 1 845 . 1 1 75 75 CYS HB2 H 1 2.244 0.030 . 2 . . . . 75 CYS HB2 . 11184 1 846 . 1 1 75 75 CYS HB3 H 1 2.544 0.030 . 2 . . . . 75 CYS HB3 . 11184 1 847 . 1 1 75 75 CYS C C 13 175.128 0.300 . 1 . . . . 75 CYS C . 11184 1 848 . 1 1 75 75 CYS CA C 13 60.615 0.300 . 1 . . . . 75 CYS CA . 11184 1 849 . 1 1 75 75 CYS CB C 13 27.623 0.300 . 1 . . . . 75 CYS CB . 11184 1 850 . 1 1 75 75 CYS N N 15 121.671 0.300 . 1 . . . . 75 CYS N . 11184 1 851 . 1 1 76 76 ASN H H 1 8.379 0.030 . 1 . . . . 76 ASN H . 11184 1 852 . 1 1 76 76 ASN HA H 1 4.797 0.030 . 1 . . . . 76 ASN HA . 11184 1 853 . 1 1 76 76 ASN HB2 H 1 2.802 0.030 . 2 . . . . 76 ASN HB2 . 11184 1 854 . 1 1 76 76 ASN HB3 H 1 2.957 0.030 . 2 . . . . 76 ASN HB3 . 11184 1 855 . 1 1 76 76 ASN HD21 H 1 6.686 0.030 . 2 . . . . 76 ASN HD21 . 11184 1 856 . 1 1 76 76 ASN HD22 H 1 7.497 0.030 . 2 . . . . 76 ASN HD22 . 11184 1 857 . 1 1 76 76 ASN C C 13 175.928 0.300 . 1 . . . . 76 ASN C . 11184 1 858 . 1 1 76 76 ASN CA C 13 53.819 0.300 . 1 . . . . 76 ASN CA . 11184 1 859 . 1 1 76 76 ASN CB C 13 37.193 0.300 . 1 . . . . 76 ASN CB . 11184 1 860 . 1 1 76 76 ASN N N 15 115.227 0.300 . 1 . . . . 76 ASN N . 11184 1 861 . 1 1 76 76 ASN ND2 N 15 111.865 0.300 . 1 . . . . 76 ASN ND2 . 11184 1 862 . 1 1 77 77 MET H H 1 7.480 0.030 . 1 . . . . 77 MET H . 11184 1 863 . 1 1 77 77 MET HA H 1 4.952 0.030 . 1 . . . . 77 MET HA . 11184 1 864 . 1 1 77 77 MET HB2 H 1 2.086 0.030 . 2 . . . . 77 MET HB2 . 11184 1 865 . 1 1 77 77 MET HB3 H 1 2.655 0.030 . 2 . . . . 77 MET HB3 . 11184 1 866 . 1 1 77 77 MET HE1 H 1 1.959 0.030 . 1 . . . . 77 MET HE . 11184 1 867 . 1 1 77 77 MET HE2 H 1 1.959 0.030 . 1 . . . . 77 MET HE . 11184 1 868 . 1 1 77 77 MET HE3 H 1 1.959 0.030 . 1 . . . . 77 MET HE . 11184 1 869 . 1 1 77 77 MET HG2 H 1 2.342 0.030 . 1 . . . . 77 MET HG2 . 11184 1 870 . 1 1 77 77 MET HG3 H 1 2.342 0.030 . 1 . . . . 77 MET HG3 . 11184 1 871 . 1 1 77 77 MET C C 13 174.567 0.300 . 1 . . . . 77 MET C . 11184 1 872 . 1 1 77 77 MET CA C 13 55.263 0.300 . 1 . . . . 77 MET CA . 11184 1 873 . 1 1 77 77 MET CB C 13 34.605 0.300 . 1 . . . . 77 MET CB . 11184 1 874 . 1 1 77 77 MET CE C 13 19.225 0.300 . 1 . . . . 77 MET CE . 11184 1 875 . 1 1 77 77 MET CG C 13 33.418 0.300 . 1 . . . . 77 MET CG . 11184 1 876 . 1 1 77 77 MET N N 15 115.148 0.300 . 1 . . . . 77 MET N . 11184 1 877 . 1 1 78 78 VAL H H 1 7.308 0.030 . 1 . . . . 78 VAL H . 11184 1 878 . 1 1 78 78 VAL HA H 1 5.335 0.030 . 1 . . . . 78 VAL HA . 11184 1 879 . 1 1 78 78 VAL HB H 1 2.014 0.030 . 1 . . . . 78 VAL HB . 11184 1 880 . 1 1 78 78 VAL HG11 H 1 0.692 0.030 . 1 . . . . 78 VAL HG1 . 11184 1 881 . 1 1 78 78 VAL HG12 H 1 0.692 0.030 . 1 . . . . 78 VAL HG1 . 11184 1 882 . 1 1 78 78 VAL HG13 H 1 0.692 0.030 . 1 . . . . 78 VAL HG1 . 11184 1 883 . 1 1 78 78 VAL HG21 H 1 0.342 0.030 . 1 . . . . 78 VAL HG2 . 11184 1 884 . 1 1 78 78 VAL HG22 H 1 0.342 0.030 . 1 . . . . 78 VAL HG2 . 11184 1 885 . 1 1 78 78 VAL HG23 H 1 0.342 0.030 . 1 . . . . 78 VAL HG2 . 11184 1 886 . 1 1 78 78 VAL C C 13 174.005 0.300 . 1 . . . . 78 VAL C . 11184 1 887 . 1 1 78 78 VAL CA C 13 58.557 0.300 . 1 . . . . 78 VAL CA . 11184 1 888 . 1 1 78 78 VAL CB C 13 37.004 0.300 . 1 . . . . 78 VAL CB . 11184 1 889 . 1 1 78 78 VAL CG1 C 13 19.022 0.300 . 2 . . . . 78 VAL CG1 . 11184 1 890 . 1 1 78 78 VAL CG2 C 13 22.600 0.300 . 2 . . . . 78 VAL CG2 . 11184 1 891 . 1 1 78 78 VAL N N 15 108.464 0.300 . 1 . . . . 78 VAL N . 11184 1 892 . 1 1 79 79 SER H H 1 8.731 0.030 . 1 . . . . 79 SER H . 11184 1 893 . 1 1 79 79 SER HA H 1 4.824 0.030 . 1 . . . . 79 SER HA . 11184 1 894 . 1 1 79 79 SER HB2 H 1 3.579 0.030 . 2 . . . . 79 SER HB2 . 11184 1 895 . 1 1 79 79 SER HB3 H 1 3.642 0.030 . 2 . . . . 79 SER HB3 . 11184 1 896 . 1 1 79 79 SER C C 13 172.996 0.300 . 1 . . . . 79 SER C . 11184 1 897 . 1 1 79 79 SER CA C 13 56.720 0.300 . 1 . . . . 79 SER CA . 11184 1 898 . 1 1 79 79 SER CB C 13 65.710 0.300 . 1 . . . . 79 SER CB . 11184 1 899 . 1 1 79 79 SER N N 15 113.339 0.300 . 1 . . . . 79 SER N . 11184 1 900 . 1 1 80 80 GLU H H 1 8.563 0.030 . 1 . . . . 80 GLU H . 11184 1 901 . 1 1 80 80 GLU HA H 1 3.107 0.030 . 1 . . . . 80 GLU HA . 11184 1 902 . 1 1 80 80 GLU HB2 H 1 1.028 0.030 . 2 . . . . 80 GLU HB2 . 11184 1 903 . 1 1 80 80 GLU HB3 H 1 1.430 0.030 . 2 . . . . 80 GLU HB3 . 11184 1 904 . 1 1 80 80 GLU HG2 H 1 1.405 0.030 . 2 . . . . 80 GLU HG2 . 11184 1 905 . 1 1 80 80 GLU HG3 H 1 1.830 0.030 . 2 . . . . 80 GLU HG3 . 11184 1 906 . 1 1 80 80 GLU C C 13 176.462 0.300 . 1 . . . . 80 GLU C . 11184 1 907 . 1 1 80 80 GLU CA C 13 57.407 0.300 . 1 . . . . 80 GLU CA . 11184 1 908 . 1 1 80 80 GLU CB C 13 29.784 0.300 . 1 . . . . 80 GLU CB . 11184 1 909 . 1 1 80 80 GLU CG C 13 36.021 0.300 . 1 . . . . 80 GLU CG . 11184 1 910 . 1 1 80 80 GLU N N 15 129.945 0.300 . 1 . . . . 80 GLU N . 11184 1 911 . 1 1 81 81 ILE H H 1 8.458 0.030 . 1 . . . . 81 ILE H . 11184 1 912 . 1 1 81 81 ILE HA H 1 4.114 0.030 . 1 . . . . 81 ILE HA . 11184 1 913 . 1 1 81 81 ILE HB H 1 1.674 0.030 . 1 . . . . 81 ILE HB . 11184 1 914 . 1 1 81 81 ILE HD11 H 1 0.682 0.030 . 1 . . . . 81 ILE HD1 . 11184 1 915 . 1 1 81 81 ILE HD12 H 1 0.682 0.030 . 1 . . . . 81 ILE HD1 . 11184 1 916 . 1 1 81 81 ILE HD13 H 1 0.682 0.030 . 1 . . . . 81 ILE HD1 . 11184 1 917 . 1 1 81 81 ILE HG12 H 1 0.907 0.030 . 2 . . . . 81 ILE HG12 . 11184 1 918 . 1 1 81 81 ILE HG13 H 1 1.238 0.030 . 2 . . . . 81 ILE HG13 . 11184 1 919 . 1 1 81 81 ILE HG21 H 1 0.753 0.030 . 1 . . . . 81 ILE HG2 . 11184 1 920 . 1 1 81 81 ILE HG22 H 1 0.753 0.030 . 1 . . . . 81 ILE HG2 . 11184 1 921 . 1 1 81 81 ILE HG23 H 1 0.753 0.030 . 1 . . . . 81 ILE HG2 . 11184 1 922 . 1 1 81 81 ILE C C 13 175.321 0.300 . 1 . . . . 81 ILE C . 11184 1 923 . 1 1 81 81 ILE CA C 13 60.953 0.300 . 1 . . . . 81 ILE CA . 11184 1 924 . 1 1 81 81 ILE CB C 13 38.730 0.300 . 1 . . . . 81 ILE CB . 11184 1 925 . 1 1 81 81 ILE CD1 C 13 13.119 0.300 . 1 . . . . 81 ILE CD1 . 11184 1 926 . 1 1 81 81 ILE CG1 C 13 27.168 0.300 . 1 . . . . 81 ILE CG1 . 11184 1 927 . 1 1 81 81 ILE CG2 C 13 17.550 0.300 . 1 . . . . 81 ILE CG2 . 11184 1 928 . 1 1 81 81 ILE N N 15 125.885 0.300 . 1 . . . . 81 ILE N . 11184 1 929 . 1 1 82 82 GLN H H 1 8.385 0.030 . 1 . . . . 82 GLN H . 11184 1 930 . 1 1 82 82 GLN HA H 1 4.315 0.030 . 1 . . . . 82 GLN HA . 11184 1 931 . 1 1 82 82 GLN HB2 H 1 1.882 0.030 . 2 . . . . 82 GLN HB2 . 11184 1 932 . 1 1 82 82 GLN HB3 H 1 2.040 0.030 . 2 . . . . 82 GLN HB3 . 11184 1 933 . 1 1 82 82 GLN HE21 H 1 6.747 0.030 . 2 . . . . 82 GLN HE21 . 11184 1 934 . 1 1 82 82 GLN HE22 H 1 7.519 0.030 . 2 . . . . 82 GLN HE22 . 11184 1 935 . 1 1 82 82 GLN HG2 H 1 2.264 0.030 . 1 . . . . 82 GLN HG2 . 11184 1 936 . 1 1 82 82 GLN HG3 H 1 2.264 0.030 . 1 . . . . 82 GLN HG3 . 11184 1 937 . 1 1 82 82 GLN C C 13 175.421 0.300 . 1 . . . . 82 GLN C . 11184 1 938 . 1 1 82 82 GLN CA C 13 55.130 0.300 . 1 . . . . 82 GLN CA . 11184 1 939 . 1 1 82 82 GLN CB C 13 29.723 0.300 . 1 . . . . 82 GLN CB . 11184 1 940 . 1 1 82 82 GLN CG C 13 33.794 0.300 . 1 . . . . 82 GLN CG . 11184 1 941 . 1 1 82 82 GLN N N 15 124.282 0.300 . 1 . . . . 82 GLN N . 11184 1 942 . 1 1 82 82 GLN NE2 N 15 112.477 0.300 . 1 . . . . 82 GLN NE2 . 11184 1 943 . 1 1 83 83 ALA H H 1 8.422 0.030 . 1 . . . . 83 ALA H . 11184 1 944 . 1 1 83 83 ALA HA H 1 4.259 0.030 . 1 . . . . 83 ALA HA . 11184 1 945 . 1 1 83 83 ALA HB1 H 1 1.342 0.030 . 1 . . . . 83 ALA HB . 11184 1 946 . 1 1 83 83 ALA HB2 H 1 1.342 0.030 . 1 . . . . 83 ALA HB . 11184 1 947 . 1 1 83 83 ALA HB3 H 1 1.342 0.030 . 1 . . . . 83 ALA HB . 11184 1 948 . 1 1 83 83 ALA C C 13 177.297 0.300 . 1 . . . . 83 ALA C . 11184 1 949 . 1 1 83 83 ALA CA C 13 52.482 0.300 . 1 . . . . 83 ALA CA . 11184 1 950 . 1 1 83 83 ALA CB C 13 19.650 0.300 . 1 . . . . 83 ALA CB . 11184 1 951 . 1 1 83 83 ALA N N 15 126.139 0.300 . 1 . . . . 83 ALA N . 11184 1 952 . 1 1 84 84 ASP H H 1 8.351 0.030 . 1 . . . . 84 ASP H . 11184 1 953 . 1 1 84 84 ASP HA H 1 4.569 0.030 . 1 . . . . 84 ASP HA . 11184 1 954 . 1 1 84 84 ASP HB2 H 1 2.614 0.030 . 2 . . . . 84 ASP HB2 . 11184 1 955 . 1 1 84 84 ASP HB3 H 1 2.673 0.030 . 2 . . . . 84 ASP HB3 . 11184 1 956 . 1 1 84 84 ASP C C 13 176.050 0.300 . 1 . . . . 84 ASP C . 11184 1 957 . 1 1 84 84 ASP CA C 13 54.276 0.300 . 1 . . . . 84 ASP CA . 11184 1 958 . 1 1 84 84 ASP CB C 13 41.315 0.300 . 1 . . . . 84 ASP CB . 11184 1 959 . 1 1 84 84 ASP N N 15 119.810 0.300 . 1 . . . . 84 ASP N . 11184 1 960 . 1 1 85 85 ASP H H 1 8.217 0.030 . 1 . . . . 85 ASP H . 11184 1 961 . 1 1 85 85 ASP HA H 1 4.556 0.030 . 1 . . . . 85 ASP HA . 11184 1 962 . 1 1 85 85 ASP HB2 H 1 2.584 0.030 . 2 . . . . 85 ASP HB2 . 11184 1 963 . 1 1 85 85 ASP HB3 H 1 2.674 0.030 . 2 . . . . 85 ASP HB3 . 11184 1 964 . 1 1 85 85 ASP C C 13 176.560 0.300 . 1 . . . . 85 ASP C . 11184 1 965 . 1 1 85 85 ASP CA C 13 54.513 0.300 . 1 . . . . 85 ASP CA . 11184 1 966 . 1 1 85 85 ASP CB C 13 41.305 0.300 . 1 . . . . 85 ASP CB . 11184 1 967 . 1 1 85 85 ASP N N 15 120.689 0.300 . 1 . . . . 85 ASP N . 11184 1 968 . 1 1 86 86 GLU H H 1 8.369 0.030 . 1 . . . . 86 GLU H . 11184 1 969 . 1 1 86 86 GLU HA H 1 4.177 0.030 . 1 . . . . 86 GLU HA . 11184 1 970 . 1 1 86 86 GLU HB2 H 1 1.952 0.030 . 2 . . . . 86 GLU HB2 . 11184 1 971 . 1 1 86 86 GLU HB3 H 1 2.034 0.030 . 2 . . . . 86 GLU HB3 . 11184 1 972 . 1 1 86 86 GLU HG2 H 1 2.214 0.030 . 2 . . . . 86 GLU HG2 . 11184 1 973 . 1 1 86 86 GLU HG3 H 1 2.269 0.030 . 2 . . . . 86 GLU HG3 . 11184 1 974 . 1 1 86 86 GLU C C 13 176.868 0.300 . 1 . . . . 86 GLU C . 11184 1 975 . 1 1 86 86 GLU CA C 13 57.227 0.300 . 1 . . . . 86 GLU CA . 11184 1 976 . 1 1 86 86 GLU CB C 13 30.400 0.300 . 1 . . . . 86 GLU CB . 11184 1 977 . 1 1 86 86 GLU CG C 13 36.400 0.300 . 1 . . . . 86 GLU CG . 11184 1 978 . 1 1 86 86 GLU N N 15 121.425 0.300 . 1 . . . . 86 GLU N . 11184 1 979 . 1 1 87 87 GLU H H 1 8.401 0.030 . 1 . . . . 87 GLU H . 11184 1 980 . 1 1 87 87 GLU HA H 1 4.209 0.030 . 1 . . . . 87 GLU HA . 11184 1 981 . 1 1 87 87 GLU HB2 H 1 1.951 0.030 . 2 . . . . 87 GLU HB2 . 11184 1 982 . 1 1 87 87 GLU HB3 H 1 2.025 0.030 . 2 . . . . 87 GLU HB3 . 11184 1 983 . 1 1 87 87 GLU HG2 H 1 2.218 0.030 . 2 . . . . 87 GLU HG2 . 11184 1 984 . 1 1 87 87 GLU HG3 H 1 2.267 0.030 . 2 . . . . 87 GLU HG3 . 11184 1 985 . 1 1 87 87 GLU C C 13 176.685 0.300 . 1 . . . . 87 GLU C . 11184 1 986 . 1 1 87 87 GLU CA C 13 57.019 0.300 . 1 . . . . 87 GLU CA . 11184 1 987 . 1 1 87 87 GLU CB C 13 30.191 0.300 . 1 . . . . 87 GLU CB . 11184 1 988 . 1 1 87 87 GLU CG C 13 36.417 0.300 . 1 . . . . 87 GLU CG . 11184 1 989 . 1 1 87 87 GLU N N 15 121.364 0.300 . 1 . . . . 87 GLU N . 11184 1 990 . 1 1 88 88 MET H H 1 8.275 0.030 . 1 . . . . 88 MET H . 11184 1 991 . 1 1 88 88 MET HA H 1 4.446 0.030 . 1 . . . . 88 MET HA . 11184 1 992 . 1 1 88 88 MET HB2 H 1 2.024 0.030 . 2 . . . . 88 MET HB2 . 11184 1 993 . 1 1 88 88 MET HB3 H 1 2.070 0.030 . 2 . . . . 88 MET HB3 . 11184 1 994 . 1 1 88 88 MET HG2 H 1 2.520 0.030 . 2 . . . . 88 MET HG2 . 11184 1 995 . 1 1 88 88 MET HG3 H 1 2.602 0.030 . 2 . . . . 88 MET HG3 . 11184 1 996 . 1 1 88 88 MET C C 13 176.419 0.300 . 1 . . . . 88 MET C . 11184 1 997 . 1 1 88 88 MET CA C 13 55.535 0.300 . 1 . . . . 88 MET CA . 11184 1 998 . 1 1 88 88 MET CB C 13 32.735 0.300 . 1 . . . . 88 MET CB . 11184 1 999 . 1 1 88 88 MET CG C 13 32.086 0.300 . 1 . . . . 88 MET CG . 11184 1 1000 . 1 1 88 88 MET N N 15 120.887 0.300 . 1 . . . . 88 MET N . 11184 1 1001 . 1 1 89 89 MET H H 1 8.281 0.030 . 1 . . . . 89 MET H . 11184 1 1002 . 1 1 89 89 MET HA H 1 4.440 0.030 . 1 . . . . 89 MET HA . 11184 1 1003 . 1 1 89 89 MET HB2 H 1 2.014 0.030 . 2 . . . . 89 MET HB2 . 11184 1 1004 . 1 1 89 89 MET HB3 H 1 2.070 0.030 . 2 . . . . 89 MET HB3 . 11184 1 1005 . 1 1 89 89 MET HG2 H 1 2.522 0.030 . 2 . . . . 89 MET HG2 . 11184 1 1006 . 1 1 89 89 MET HG3 H 1 2.604 0.030 . 2 . . . . 89 MET HG3 . 11184 1 1007 . 1 1 89 89 MET C C 13 176.024 0.300 . 1 . . . . 89 MET C . 11184 1 1008 . 1 1 89 89 MET CA C 13 55.718 0.300 . 1 . . . . 89 MET CA . 11184 1 1009 . 1 1 89 89 MET CB C 13 33.060 0.300 . 1 . . . . 89 MET CB . 11184 1 1010 . 1 1 89 89 MET CG C 13 32.154 0.300 . 1 . . . . 89 MET CG . 11184 1 1011 . 1 1 89 89 MET N N 15 121.486 0.300 . 1 . . . . 89 MET N . 11184 1 1012 . 1 1 90 90 ASP H H 1 8.372 0.030 . 1 . . . . 90 ASP H . 11184 1 1013 . 1 1 90 90 ASP HA H 1 4.580 0.030 . 1 . . . . 90 ASP HA . 11184 1 1014 . 1 1 90 90 ASP HB2 H 1 2.642 0.030 . 2 . . . . 90 ASP HB2 . 11184 1 1015 . 1 1 90 90 ASP HB3 H 1 2.722 0.030 . 2 . . . . 90 ASP HB3 . 11184 1 1016 . 1 1 90 90 ASP C C 13 176.445 0.300 . 1 . . . . 90 ASP C . 11184 1 1017 . 1 1 90 90 ASP CA C 13 54.579 0.300 . 1 . . . . 90 ASP CA . 11184 1 1018 . 1 1 90 90 ASP CB C 13 41.216 0.300 . 1 . . . . 90 ASP CB . 11184 1 1019 . 1 1 90 90 ASP N N 15 121.488 0.300 . 1 . . . . 90 ASP N . 11184 1 1020 . 1 1 91 91 GLN H H 1 8.400 0.030 . 1 . . . . 91 GLN H . 11184 1 1021 . 1 1 91 91 GLN HA H 1 4.392 0.030 . 1 . . . . 91 GLN HA . 11184 1 1022 . 1 1 91 91 GLN HB2 H 1 1.961 0.030 . 2 . . . . 91 GLN HB2 . 11184 1 1023 . 1 1 91 91 GLN HB3 H 1 2.207 0.030 . 2 . . . . 91 GLN HB3 . 11184 1 1024 . 1 1 91 91 GLN HE21 H 1 6.854 0.030 . 2 . . . . 91 GLN HE21 . 11184 1 1025 . 1 1 91 91 GLN HE22 H 1 7.532 0.030 . 2 . . . . 91 GLN HE22 . 11184 1 1026 . 1 1 91 91 GLN HG2 H 1 2.360 0.030 . 1 . . . . 91 GLN HG2 . 11184 1 1027 . 1 1 91 91 GLN HG3 H 1 2.360 0.030 . 1 . . . . 91 GLN HG3 . 11184 1 1028 . 1 1 91 91 GLN C C 13 176.183 0.300 . 1 . . . . 91 GLN C . 11184 1 1029 . 1 1 91 91 GLN CA C 13 55.829 0.300 . 1 . . . . 91 GLN CA . 11184 1 1030 . 1 1 91 91 GLN CB C 13 29.306 0.300 . 1 . . . . 91 GLN CB . 11184 1 1031 . 1 1 91 91 GLN CG C 13 33.883 0.300 . 1 . . . . 91 GLN CG . 11184 1 1032 . 1 1 91 91 GLN N N 15 121.335 0.300 . 1 . . . . 91 GLN N . 11184 1 1033 . 1 1 91 91 GLN NE2 N 15 112.745 0.300 . 1 . . . . 91 GLN NE2 . 11184 1 1034 . 1 1 92 92 SER H H 1 8.404 0.030 . 1 . . . . 92 SER H . 11184 1 1035 . 1 1 92 92 SER HA H 1 4.445 0.030 . 1 . . . . 92 SER HA . 11184 1 1036 . 1 1 92 92 SER HB2 H 1 3.903 0.030 . 1 . . . . 92 SER HB2 . 11184 1 1037 . 1 1 92 92 SER HB3 H 1 3.903 0.030 . 1 . . . . 92 SER HB3 . 11184 1 1038 . 1 1 92 92 SER C C 13 174.699 0.300 . 1 . . . . 92 SER C . 11184 1 1039 . 1 1 92 92 SER CA C 13 58.851 0.300 . 1 . . . . 92 SER CA . 11184 1 1040 . 1 1 92 92 SER CB C 13 64.010 0.300 . 1 . . . . 92 SER CB . 11184 1 1041 . 1 1 92 92 SER N N 15 116.798 0.300 . 1 . . . . 92 SER N . 11184 1 1042 . 1 1 93 93 GLY H H 1 8.235 0.030 . 1 . . . . 93 GLY H . 11184 1 1043 . 1 1 93 93 GLY HA2 H 1 4.067 0.030 . 2 . . . . 93 GLY HA2 . 11184 1 1044 . 1 1 93 93 GLY HA3 H 1 4.168 0.030 . 2 . . . . 93 GLY HA3 . 11184 1 1045 . 1 1 93 93 GLY C C 13 171.829 0.300 . 1 . . . . 93 GLY C . 11184 1 1046 . 1 1 93 93 GLY CA C 13 44.756 0.300 . 1 . . . . 93 GLY CA . 11184 1 1047 . 1 1 93 93 GLY N N 15 110.635 0.300 . 1 . . . . 93 GLY N . 11184 1 stop_ save_