data_11318 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11318 _Entry.Title ; Solution Strutcure of the SH3 domain of the Cdc42-interacting protein 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _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. Miyamoto . . . 11318 2 T. Tomizawa . . . 11318 3 S. Koshiba . . . 11318 4 M. Inoue . . . 11318 5 T. Kigawa . . . 11318 6 S. Yokoyama . . . 11318 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)' . 11318 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11318 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 257 11318 '15N chemical shifts' 61 11318 '1H chemical shifts' 389 11318 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 . . 2011-08-19 2010-08-10 original author . 11318 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CT4 'BMRB Entry Tracking System' 11318 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11318 _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 Strutcure of the SH3 domain of the Cdc42-interacting protein 4' _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. Miyamoto . . . 11318 1 2 T. Tomizawa . . . 11318 1 3 S. Koshiba . . . 11318 1 4 M. Inoue . . . 11318 1 5 T. Kigawa . . . 11318 1 6 S. Yokoyama . . . 11318 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11318 _Assembly.ID 1 _Assembly.Name 'Cdc42-interacting protein 4' _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 . . . 11318 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 2ct4 . . . . . . 11318 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11318 _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 ; GSSGSSGGHCVAIYHFEGSS EGTISMAEGEDLSLMEEDKG DGWTRVRRKEGGEGYVPTSY LRVTSGPSSG ; _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 70 _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 2CT4 . "Solution Strutcure Of The Sh3 Domain Of The Cdc42- Interacting Protein 4" . . . . . 100.00 70 100.00 100.00 4.93e-40 . . . . 11318 1 2 no DBJ BAD96829 . "thyroid hormone receptor interactor 10 variant [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 1.38e-29 . . . . 11318 1 3 no DBJ BAE00629 . "unnamed protein product [Macaca fascicularis]" . . . . . 81.43 437 100.00 100.00 5.53e-29 . . . . 11318 1 4 no DBJ BAF80144 . "salt-tolerant protein [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 5.73e-30 . . . . 11318 1 5 no DBJ BAG36103 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 8.27e-30 . . . . 11318 1 6 no DBJ BAK63850 . "CDC42-interacting protein 4 [Pan troglodytes]" . . . . . 81.43 437 100.00 100.00 7.15e-29 . . . . 11318 1 7 no EMBL CAA04062 . "Cdc42-interacting protein 4 [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 8.27e-30 . . . . 11318 1 8 no EMBL CAG38751 . "TRIP10 [Homo sapiens]" . . . . . 81.43 545 98.25 98.25 8.88e-29 . . . . 11318 1 9 no EMBL CAH90516 . "hypothetical protein [Pongo abelii]" . . . . . 81.43 601 100.00 100.00 3.12e-29 . . . . 11318 1 10 no GB AAC41729 . "thyroid receptor interactor, partial [Homo sapiens]" . . . . . 81.43 115 100.00 100.00 9.48e-33 . . . . 11318 1 11 no GB AAH13002 . "Thyroid hormone receptor interactor 10 [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 8.27e-30 . . . . 11318 1 12 no GB AAI33400 . "Thyroid hormone receptor interactor 10 [Bos taurus]" . . . . . 80.00 603 98.21 100.00 3.91e-28 . . . . 11318 1 13 no GB AAM46851 . "Cdc42-interaction protein 4 long isoform [Homo sapiens]" . . . . . 81.43 601 100.00 100.00 3.03e-29 . . . . 11318 1 14 no GB AAP35344 . "thyroid hormone receptor interactor 10 [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 8.27e-30 . . . . 11318 1 15 no REF NP_001074999 . "cdc42-interacting protein 4 [Bos taurus]" . . . . . 80.00 603 98.21 100.00 3.91e-28 . . . . 11318 1 16 no REF NP_001125273 . "cdc42-interacting protein 4 [Pongo abelii]" . . . . . 81.43 601 100.00 100.00 3.12e-29 . . . . 11318 1 17 no REF NP_001275891 . "cdc42-interacting protein 4 isoform 1 [Homo sapiens]" . . . . . 81.43 601 100.00 100.00 3.03e-29 . . . . 11318 1 18 no REF NP_004231 . "cdc42-interacting protein 4 isoform 2 [Homo sapiens]" . . . . . 81.43 545 100.00 100.00 8.27e-30 . . . . 11318 1 19 no REF XP_001092276 . "PREDICTED: cdc42-interacting protein 4-like [Macaca mulatta]" . . . . . 81.43 437 100.00 100.00 5.53e-29 . . . . 11318 1 20 no SP Q15642 . "RecName: Full=Cdc42-interacting protein 4; AltName: Full=Protein Felic; AltName: Full=Salt tolerant protein; Short=hSTP; AltNam" . . . . . 81.43 601 100.00 100.00 3.03e-29 . . . . 11318 1 21 no SP Q5RCJ1 . "RecName: Full=Cdc42-interacting protein 4; AltName: Full=Thyroid receptor-interacting protein 10; Short=TR-interacting protein " . . . . . 81.43 601 100.00 100.00 3.12e-29 . . . . 11318 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11318 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 . 11318 1 2 . SER . 11318 1 3 . SER . 11318 1 4 . GLY . 11318 1 5 . SER . 11318 1 6 . SER . 11318 1 7 . GLY . 11318 1 8 . GLY . 11318 1 9 . HIS . 11318 1 10 . CYS . 11318 1 11 . VAL . 11318 1 12 . ALA . 11318 1 13 . ILE . 11318 1 14 . TYR . 11318 1 15 . HIS . 11318 1 16 . PHE . 11318 1 17 . GLU . 11318 1 18 . GLY . 11318 1 19 . SER . 11318 1 20 . SER . 11318 1 21 . GLU . 11318 1 22 . GLY . 11318 1 23 . THR . 11318 1 24 . ILE . 11318 1 25 . SER . 11318 1 26 . MET . 11318 1 27 . ALA . 11318 1 28 . GLU . 11318 1 29 . GLY . 11318 1 30 . GLU . 11318 1 31 . ASP . 11318 1 32 . LEU . 11318 1 33 . SER . 11318 1 34 . LEU . 11318 1 35 . MET . 11318 1 36 . GLU . 11318 1 37 . GLU . 11318 1 38 . ASP . 11318 1 39 . LYS . 11318 1 40 . GLY . 11318 1 41 . ASP . 11318 1 42 . GLY . 11318 1 43 . TRP . 11318 1 44 . THR . 11318 1 45 . ARG . 11318 1 46 . VAL . 11318 1 47 . ARG . 11318 1 48 . ARG . 11318 1 49 . LYS . 11318 1 50 . GLU . 11318 1 51 . GLY . 11318 1 52 . GLY . 11318 1 53 . GLU . 11318 1 54 . GLY . 11318 1 55 . TYR . 11318 1 56 . VAL . 11318 1 57 . PRO . 11318 1 58 . THR . 11318 1 59 . SER . 11318 1 60 . TYR . 11318 1 61 . LEU . 11318 1 62 . ARG . 11318 1 63 . VAL . 11318 1 64 . THR . 11318 1 65 . SER . 11318 1 66 . GLY . 11318 1 67 . PRO . 11318 1 68 . SER . 11318 1 69 . SER . 11318 1 70 . GLY . 11318 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 11318 1 . SER 2 2 11318 1 . SER 3 3 11318 1 . GLY 4 4 11318 1 . SER 5 5 11318 1 . SER 6 6 11318 1 . GLY 7 7 11318 1 . GLY 8 8 11318 1 . HIS 9 9 11318 1 . CYS 10 10 11318 1 . VAL 11 11 11318 1 . ALA 12 12 11318 1 . ILE 13 13 11318 1 . TYR 14 14 11318 1 . HIS 15 15 11318 1 . PHE 16 16 11318 1 . GLU 17 17 11318 1 . GLY 18 18 11318 1 . SER 19 19 11318 1 . SER 20 20 11318 1 . GLU 21 21 11318 1 . GLY 22 22 11318 1 . THR 23 23 11318 1 . ILE 24 24 11318 1 . SER 25 25 11318 1 . MET 26 26 11318 1 . ALA 27 27 11318 1 . GLU 28 28 11318 1 . GLY 29 29 11318 1 . GLU 30 30 11318 1 . ASP 31 31 11318 1 . LEU 32 32 11318 1 . SER 33 33 11318 1 . LEU 34 34 11318 1 . MET 35 35 11318 1 . GLU 36 36 11318 1 . GLU 37 37 11318 1 . ASP 38 38 11318 1 . LYS 39 39 11318 1 . GLY 40 40 11318 1 . ASP 41 41 11318 1 . GLY 42 42 11318 1 . TRP 43 43 11318 1 . THR 44 44 11318 1 . ARG 45 45 11318 1 . VAL 46 46 11318 1 . ARG 47 47 11318 1 . ARG 48 48 11318 1 . LYS 49 49 11318 1 . GLU 50 50 11318 1 . GLY 51 51 11318 1 . GLY 52 52 11318 1 . GLU 53 53 11318 1 . GLY 54 54 11318 1 . TYR 55 55 11318 1 . VAL 56 56 11318 1 . PRO 57 57 11318 1 . THR 58 58 11318 1 . SER 59 59 11318 1 . TYR 60 60 11318 1 . LEU 61 61 11318 1 . ARG 62 62 11318 1 . VAL 63 63 11318 1 . THR 64 64 11318 1 . SER 65 65 11318 1 . GLY 66 66 11318 1 . PRO 67 67 11318 1 . SER 68 68 11318 1 . SER 69 69 11318 1 . GLY 70 70 11318 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 11318 _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 . . . . . . . . . . . . . . . . . . . . . 11318 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 11318 _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 . . P041213-01 . . . . . . 11318 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11318 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.36mM SH3 domain {U-13C,15N;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90%H2O, 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 1.36 . . mM . . . . 11318 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11318 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11318 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11318 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11318 1 6 H2O . . . . . . solvent 90 . . % . . . . 11318 1 7 D2O . . . . . . solvent 10 . . % . . . . 11318 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 11318 _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 11318 1 pH 7.0 0.05 pH 11318 1 pressure 1 0.001 atm 11318 1 temperature 296 0.1 K 11318 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11318 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11318 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11318 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11318 _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.' . . 11318 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11318 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11318 _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.' . . 11318 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11318 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11318 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11318 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11318 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11318 _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.' . . 11318 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11318 5 'structure solution' 11318 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 11318 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11318 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 700 . . . 11318 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 11318 _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 . . . . . . . . . . . . . . . . 11318 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11318 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 11318 _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 . . . . . . . . . 11318 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11318 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11318 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 11318 _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 11318 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11318 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 $XWINNMR . . 11318 1 2 $NMRPipe . . 11318 1 3 $NMRView . . 11318 1 4 $Kujira . . 11318 1 5 $CYANA . . 11318 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 4.507 0.030 . 1 . . . . 6 SER HA . 11318 1 2 . 1 1 6 6 SER HB2 H 1 3.884 0.030 . 1 . . . . 6 SER HB2 . 11318 1 3 . 1 1 6 6 SER HB3 H 1 3.884 0.030 . 1 . . . . 6 SER HB3 . 11318 1 4 . 1 1 6 6 SER C C 13 174.852 0.300 . 1 . . . . 6 SER C . 11318 1 5 . 1 1 6 6 SER CA C 13 58.453 0.300 . 1 . . . . 6 SER CA . 11318 1 6 . 1 1 6 6 SER CB C 13 63.897 0.300 . 1 . . . . 6 SER CB . 11318 1 7 . 1 1 7 7 GLY H H 1 8.423 0.030 . 1 . . . . 7 GLY H . 11318 1 8 . 1 1 7 7 GLY HA2 H 1 4.026 0.030 . 1 . . . . 7 GLY HA2 . 11318 1 9 . 1 1 7 7 GLY HA3 H 1 4.026 0.030 . 1 . . . . 7 GLY HA3 . 11318 1 10 . 1 1 7 7 GLY C C 13 174.345 0.300 . 1 . . . . 7 GLY C . 11318 1 11 . 1 1 7 7 GLY CA C 13 45.285 0.300 . 1 . . . . 7 GLY CA . 11318 1 12 . 1 1 7 7 GLY N N 15 110.647 0.300 . 1 . . . . 7 GLY N . 11318 1 13 . 1 1 8 8 GLY H H 1 8.316 0.030 . 1 . . . . 8 GLY H . 11318 1 14 . 1 1 8 8 GLY HA2 H 1 3.998 0.030 . 2 . . . . 8 GLY HA2 . 11318 1 15 . 1 1 8 8 GLY HA3 H 1 4.105 0.030 . 2 . . . . 8 GLY HA3 . 11318 1 16 . 1 1 8 8 GLY C C 13 173.437 0.300 . 1 . . . . 8 GLY C . 11318 1 17 . 1 1 8 8 GLY CA C 13 45.044 0.300 . 1 . . . . 8 GLY CA . 11318 1 18 . 1 1 8 8 GLY N N 15 107.792 0.300 . 1 . . . . 8 GLY N . 11318 1 19 . 1 1 9 9 HIS H H 1 8.675 0.030 . 1 . . . . 9 HIS H . 11318 1 20 . 1 1 9 9 HIS HA H 1 5.124 0.030 . 1 . . . . 9 HIS HA . 11318 1 21 . 1 1 9 9 HIS HB2 H 1 3.045 0.030 . 2 . . . . 9 HIS HB2 . 11318 1 22 . 1 1 9 9 HIS HB3 H 1 3.147 0.030 . 2 . . . . 9 HIS HB3 . 11318 1 23 . 1 1 9 9 HIS HD2 H 1 7.094 0.030 . 1 . . . . 9 HIS HD2 . 11318 1 24 . 1 1 9 9 HIS HE1 H 1 7.900 0.030 . 1 . . . . 9 HIS HE1 . 11318 1 25 . 1 1 9 9 HIS C C 13 173.976 0.300 . 1 . . . . 9 HIS C . 11318 1 26 . 1 1 9 9 HIS CA C 13 56.138 0.300 . 1 . . . . 9 HIS CA . 11318 1 27 . 1 1 9 9 HIS CB C 13 32.612 0.300 . 1 . . . . 9 HIS CB . 11318 1 28 . 1 1 9 9 HIS CD2 C 13 120.221 0.300 . 1 . . . . 9 HIS CD2 . 11318 1 29 . 1 1 9 9 HIS CE1 C 13 137.533 0.300 . 1 . . . . 9 HIS CE1 . 11318 1 30 . 1 1 9 9 HIS N N 15 121.272 0.300 . 1 . . . . 9 HIS N . 11318 1 31 . 1 1 10 10 CYS H H 1 8.606 0.030 . 1 . . . . 10 CYS H . 11318 1 32 . 1 1 10 10 CYS HA H 1 5.359 0.030 . 1 . . . . 10 CYS HA . 11318 1 33 . 1 1 10 10 CYS HB2 H 1 2.586 0.030 . 2 . . . . 10 CYS HB2 . 11318 1 34 . 1 1 10 10 CYS HB3 H 1 3.022 0.030 . 2 . . . . 10 CYS HB3 . 11318 1 35 . 1 1 10 10 CYS C C 13 171.281 0.300 . 1 . . . . 10 CYS C . 11318 1 36 . 1 1 10 10 CYS CA C 13 55.938 0.300 . 1 . . . . 10 CYS CA . 11318 1 37 . 1 1 10 10 CYS CB C 13 31.514 0.300 . 1 . . . . 10 CYS CB . 11318 1 38 . 1 1 10 10 CYS N N 15 117.899 0.300 . 1 . . . . 10 CYS N . 11318 1 39 . 1 1 11 11 VAL H H 1 8.713 0.030 . 1 . . . . 11 VAL H . 11318 1 40 . 1 1 11 11 VAL HA H 1 5.268 0.030 . 1 . . . . 11 VAL HA . 11318 1 41 . 1 1 11 11 VAL HB H 1 1.749 0.030 . 1 . . . . 11 VAL HB . 11318 1 42 . 1 1 11 11 VAL HG11 H 1 0.877 0.030 . 1 . . . . 11 VAL HG1 . 11318 1 43 . 1 1 11 11 VAL HG12 H 1 0.877 0.030 . 1 . . . . 11 VAL HG1 . 11318 1 44 . 1 1 11 11 VAL HG13 H 1 0.877 0.030 . 1 . . . . 11 VAL HG1 . 11318 1 45 . 1 1 11 11 VAL HG21 H 1 0.811 0.030 . 1 . . . . 11 VAL HG2 . 11318 1 46 . 1 1 11 11 VAL HG22 H 1 0.811 0.030 . 1 . . . . 11 VAL HG2 . 11318 1 47 . 1 1 11 11 VAL HG23 H 1 0.811 0.030 . 1 . . . . 11 VAL HG2 . 11318 1 48 . 1 1 11 11 VAL C C 13 175.135 0.300 . 1 . . . . 11 VAL C . 11318 1 49 . 1 1 11 11 VAL CA C 13 59.221 0.300 . 1 . . . . 11 VAL CA . 11318 1 50 . 1 1 11 11 VAL CB C 13 35.966 0.300 . 1 . . . . 11 VAL CB . 11318 1 51 . 1 1 11 11 VAL CG1 C 13 21.473 0.300 . 2 . . . . 11 VAL CG1 . 11318 1 52 . 1 1 11 11 VAL CG2 C 13 20.721 0.300 . 2 . . . . 11 VAL CG2 . 11318 1 53 . 1 1 11 11 VAL N N 15 119.251 0.300 . 1 . . . . 11 VAL N . 11318 1 54 . 1 1 12 12 ALA H H 1 8.234 0.030 . 1 . . . . 12 ALA H . 11318 1 55 . 1 1 12 12 ALA HA H 1 4.726 0.030 . 1 . . . . 12 ALA HA . 11318 1 56 . 1 1 12 12 ALA HB1 H 1 1.804 0.030 . 1 . . . . 12 ALA HB . 11318 1 57 . 1 1 12 12 ALA HB2 H 1 1.804 0.030 . 1 . . . . 12 ALA HB . 11318 1 58 . 1 1 12 12 ALA HB3 H 1 1.804 0.030 . 1 . . . . 12 ALA HB . 11318 1 59 . 1 1 12 12 ALA C C 13 179.412 0.300 . 1 . . . . 12 ALA C . 11318 1 60 . 1 1 12 12 ALA CA C 13 52.180 0.300 . 1 . . . . 12 ALA CA . 11318 1 61 . 1 1 12 12 ALA CB C 13 18.648 0.300 . 1 . . . . 12 ALA CB . 11318 1 62 . 1 1 12 12 ALA N N 15 127.811 0.300 . 1 . . . . 12 ALA N . 11318 1 63 . 1 1 13 13 ILE H H 1 9.357 0.030 . 1 . . . . 13 ILE H . 11318 1 64 . 1 1 13 13 ILE HA H 1 3.889 0.030 . 1 . . . . 13 ILE HA . 11318 1 65 . 1 1 13 13 ILE HB H 1 1.251 0.030 . 1 . . . . 13 ILE HB . 11318 1 66 . 1 1 13 13 ILE HD11 H 1 0.627 0.030 . 1 . . . . 13 ILE HD1 . 11318 1 67 . 1 1 13 13 ILE HD12 H 1 0.627 0.030 . 1 . . . . 13 ILE HD1 . 11318 1 68 . 1 1 13 13 ILE HD13 H 1 0.627 0.030 . 1 . . . . 13 ILE HD1 . 11318 1 69 . 1 1 13 13 ILE HG12 H 1 0.597 0.030 . 2 . . . . 13 ILE HG12 . 11318 1 70 . 1 1 13 13 ILE HG13 H 1 1.077 0.030 . 2 . . . . 13 ILE HG13 . 11318 1 71 . 1 1 13 13 ILE HG21 H 1 0.317 0.030 . 1 . . . . 13 ILE HG2 . 11318 1 72 . 1 1 13 13 ILE HG22 H 1 0.317 0.030 . 1 . . . . 13 ILE HG2 . 11318 1 73 . 1 1 13 13 ILE HG23 H 1 0.317 0.030 . 1 . . . . 13 ILE HG2 . 11318 1 74 . 1 1 13 13 ILE C C 13 174.422 0.300 . 1 . . . . 13 ILE C . 11318 1 75 . 1 1 13 13 ILE CA C 13 62.600 0.300 . 1 . . . . 13 ILE CA . 11318 1 76 . 1 1 13 13 ILE CB C 13 38.957 0.300 . 1 . . . . 13 ILE CB . 11318 1 77 . 1 1 13 13 ILE CD1 C 13 13.700 0.300 . 1 . . . . 13 ILE CD1 . 11318 1 78 . 1 1 13 13 ILE CG1 C 13 27.742 0.300 . 1 . . . . 13 ILE CG1 . 11318 1 79 . 1 1 13 13 ILE CG2 C 13 17.653 0.300 . 1 . . . . 13 ILE CG2 . 11318 1 80 . 1 1 13 13 ILE N N 15 124.739 0.300 . 1 . . . . 13 ILE N . 11318 1 81 . 1 1 14 14 TYR H H 1 6.998 0.030 . 1 . . . . 14 TYR H . 11318 1 82 . 1 1 14 14 TYR HA H 1 4.872 0.030 . 1 . . . . 14 TYR HA . 11318 1 83 . 1 1 14 14 TYR HB2 H 1 2.168 0.030 . 2 . . . . 14 TYR HB2 . 11318 1 84 . 1 1 14 14 TYR HB3 H 1 2.938 0.030 . 2 . . . . 14 TYR HB3 . 11318 1 85 . 1 1 14 14 TYR HD1 H 1 6.617 0.030 . 1 . . . . 14 TYR HD1 . 11318 1 86 . 1 1 14 14 TYR HD2 H 1 6.617 0.030 . 1 . . . . 14 TYR HD2 . 11318 1 87 . 1 1 14 14 TYR HE1 H 1 6.638 0.030 . 1 . . . . 14 TYR HE1 . 11318 1 88 . 1 1 14 14 TYR HE2 H 1 6.638 0.030 . 1 . . . . 14 TYR HE2 . 11318 1 89 . 1 1 14 14 TYR C C 13 174.056 0.300 . 1 . . . . 14 TYR C . 11318 1 90 . 1 1 14 14 TYR CA C 13 54.438 0.300 . 1 . . . . 14 TYR CA . 11318 1 91 . 1 1 14 14 TYR CB C 13 42.311 0.300 . 1 . . . . 14 TYR CB . 11318 1 92 . 1 1 14 14 TYR CD1 C 13 133.457 0.300 . 1 . . . . 14 TYR CD1 . 11318 1 93 . 1 1 14 14 TYR CD2 C 13 133.457 0.300 . 1 . . . . 14 TYR CD2 . 11318 1 94 . 1 1 14 14 TYR CE1 C 13 117.769 0.300 . 1 . . . . 14 TYR CE1 . 11318 1 95 . 1 1 14 14 TYR CE2 C 13 117.769 0.300 . 1 . . . . 14 TYR CE2 . 11318 1 96 . 1 1 14 14 TYR N N 15 114.451 0.300 . 1 . . . . 14 TYR N . 11318 1 97 . 1 1 15 15 HIS H H 1 8.197 0.030 . 1 . . . . 15 HIS H . 11318 1 98 . 1 1 15 15 HIS HA H 1 4.704 0.030 . 1 . . . . 15 HIS HA . 11318 1 99 . 1 1 15 15 HIS HB2 H 1 3.174 0.030 . 2 . . . . 15 HIS HB2 . 11318 1 100 . 1 1 15 15 HIS HB3 H 1 3.316 0.030 . 2 . . . . 15 HIS HB3 . 11318 1 101 . 1 1 15 15 HIS HD2 H 1 7.138 0.030 . 1 . . . . 15 HIS HD2 . 11318 1 102 . 1 1 15 15 HIS HE1 H 1 7.984 0.030 . 1 . . . . 15 HIS HE1 . 11318 1 103 . 1 1 15 15 HIS C C 13 174.841 0.300 . 1 . . . . 15 HIS C . 11318 1 104 . 1 1 15 15 HIS CA C 13 56.328 0.300 . 1 . . . . 15 HIS CA . 11318 1 105 . 1 1 15 15 HIS CB C 13 31.511 0.300 . 1 . . . . 15 HIS CB . 11318 1 106 . 1 1 15 15 HIS CD2 C 13 120.418 0.300 . 1 . . . . 15 HIS CD2 . 11318 1 107 . 1 1 15 15 HIS CE1 C 13 138.648 0.300 . 1 . . . . 15 HIS CE1 . 11318 1 108 . 1 1 15 15 HIS N N 15 117.024 0.300 . 1 . . . . 15 HIS N . 11318 1 109 . 1 1 16 16 PHE H H 1 8.730 0.030 . 1 . . . . 16 PHE H . 11318 1 110 . 1 1 16 16 PHE HA H 1 4.984 0.030 . 1 . . . . 16 PHE HA . 11318 1 111 . 1 1 16 16 PHE HB2 H 1 2.925 0.030 . 2 . . . . 16 PHE HB2 . 11318 1 112 . 1 1 16 16 PHE HB3 H 1 3.329 0.030 . 2 . . . . 16 PHE HB3 . 11318 1 113 . 1 1 16 16 PHE HD1 H 1 7.560 0.030 . 1 . . . . 16 PHE HD1 . 11318 1 114 . 1 1 16 16 PHE HD2 H 1 7.560 0.030 . 1 . . . . 16 PHE HD2 . 11318 1 115 . 1 1 16 16 PHE HE1 H 1 7.655 0.030 . 1 . . . . 16 PHE HE1 . 11318 1 116 . 1 1 16 16 PHE HE2 H 1 7.655 0.030 . 1 . . . . 16 PHE HE2 . 11318 1 117 . 1 1 16 16 PHE HZ H 1 7.676 0.030 . 1 . . . . 16 PHE HZ . 11318 1 118 . 1 1 16 16 PHE C C 13 173.376 0.300 . 1 . . . . 16 PHE C . 11318 1 119 . 1 1 16 16 PHE CA C 13 57.380 0.300 . 1 . . . . 16 PHE CA . 11318 1 120 . 1 1 16 16 PHE CB C 13 44.702 0.300 . 1 . . . . 16 PHE CB . 11318 1 121 . 1 1 16 16 PHE CD1 C 13 132.770 0.300 . 1 . . . . 16 PHE CD1 . 11318 1 122 . 1 1 16 16 PHE CD2 C 13 132.770 0.300 . 1 . . . . 16 PHE CD2 . 11318 1 123 . 1 1 16 16 PHE CE1 C 13 132.301 0.300 . 1 . . . . 16 PHE CE1 . 11318 1 124 . 1 1 16 16 PHE CE2 C 13 132.301 0.300 . 1 . . . . 16 PHE CE2 . 11318 1 125 . 1 1 16 16 PHE CZ C 13 129.989 0.300 . 1 . . . . 16 PHE CZ . 11318 1 126 . 1 1 16 16 PHE N N 15 122.219 0.300 . 1 . . . . 16 PHE N . 11318 1 127 . 1 1 17 17 GLU H H 1 8.066 0.030 . 1 . . . . 17 GLU H . 11318 1 128 . 1 1 17 17 GLU HA H 1 4.404 0.030 . 1 . . . . 17 GLU HA . 11318 1 129 . 1 1 17 17 GLU HB2 H 1 1.760 0.030 . 2 . . . . 17 GLU HB2 . 11318 1 130 . 1 1 17 17 GLU HB3 H 1 1.810 0.030 . 2 . . . . 17 GLU HB3 . 11318 1 131 . 1 1 17 17 GLU HG2 H 1 2.110 0.030 . 1 . . . . 17 GLU HG2 . 11318 1 132 . 1 1 17 17 GLU HG3 H 1 2.110 0.030 . 1 . . . . 17 GLU HG3 . 11318 1 133 . 1 1 17 17 GLU C C 13 175.231 0.300 . 1 . . . . 17 GLU C . 11318 1 134 . 1 1 17 17 GLU CA C 13 54.828 0.300 . 1 . . . . 17 GLU CA . 11318 1 135 . 1 1 17 17 GLU CB C 13 30.346 0.300 . 1 . . . . 17 GLU CB . 11318 1 136 . 1 1 17 17 GLU CG C 13 36.016 0.300 . 1 . . . . 17 GLU CG . 11318 1 137 . 1 1 17 17 GLU N N 15 128.064 0.300 . 1 . . . . 17 GLU N . 11318 1 138 . 1 1 18 18 GLY H H 1 7.905 0.030 . 1 . . . . 18 GLY H . 11318 1 139 . 1 1 18 18 GLY HA2 H 1 3.816 0.030 . 2 . . . . 18 GLY HA2 . 11318 1 140 . 1 1 18 18 GLY HA3 H 1 3.190 0.030 . 2 . . . . 18 GLY HA3 . 11318 1 141 . 1 1 18 18 GLY C C 13 174.366 0.300 . 1 . . . . 18 GLY C . 11318 1 142 . 1 1 18 18 GLY CA C 13 46.756 0.300 . 1 . . . . 18 GLY CA . 11318 1 143 . 1 1 18 18 GLY N N 15 112.864 0.300 . 1 . . . . 18 GLY N . 11318 1 144 . 1 1 19 19 SER H H 1 8.121 0.030 . 1 . . . . 19 SER H . 11318 1 145 . 1 1 19 19 SER HA H 1 4.386 0.030 . 1 . . . . 19 SER HA . 11318 1 146 . 1 1 19 19 SER HB2 H 1 3.727 0.030 . 2 . . . . 19 SER HB2 . 11318 1 147 . 1 1 19 19 SER HB3 H 1 3.910 0.030 . 2 . . . . 19 SER HB3 . 11318 1 148 . 1 1 19 19 SER C C 13 174.677 0.300 . 1 . . . . 19 SER C . 11318 1 149 . 1 1 19 19 SER CA C 13 58.589 0.300 . 1 . . . . 19 SER CA . 11318 1 150 . 1 1 19 19 SER CB C 13 63.854 0.300 . 1 . . . . 19 SER CB . 11318 1 151 . 1 1 19 19 SER N N 15 116.427 0.300 . 1 . . . . 19 SER N . 11318 1 152 . 1 1 20 20 SER H H 1 7.806 0.030 . 1 . . . . 20 SER H . 11318 1 153 . 1 1 20 20 SER HA H 1 4.615 0.030 . 1 . . . . 20 SER HA . 11318 1 154 . 1 1 20 20 SER HB2 H 1 3.856 0.030 . 1 . . . . 20 SER HB2 . 11318 1 155 . 1 1 20 20 SER HB3 H 1 3.856 0.030 . 1 . . . . 20 SER HB3 . 11318 1 156 . 1 1 20 20 SER C C 13 174.773 0.300 . 1 . . . . 20 SER C . 11318 1 157 . 1 1 20 20 SER CA C 13 57.811 0.300 . 1 . . . . 20 SER CA . 11318 1 158 . 1 1 20 20 SER CB C 13 64.252 0.300 . 1 . . . . 20 SER CB . 11318 1 159 . 1 1 20 20 SER N N 15 116.078 0.300 . 1 . . . . 20 SER N . 11318 1 160 . 1 1 21 21 GLU HA H 1 4.123 0.030 . 1 . . . . 21 GLU HA . 11318 1 161 . 1 1 21 21 GLU HB2 H 1 1.968 0.030 . 2 . . . . 21 GLU HB2 . 11318 1 162 . 1 1 21 21 GLU HB3 H 1 2.010 0.030 . 2 . . . . 21 GLU HB3 . 11318 1 163 . 1 1 21 21 GLU HG2 H 1 2.283 0.030 . 1 . . . . 21 GLU HG2 . 11318 1 164 . 1 1 21 21 GLU HG3 H 1 2.283 0.030 . 1 . . . . 21 GLU HG3 . 11318 1 165 . 1 1 21 21 GLU C C 13 177.410 0.300 . 1 . . . . 21 GLU C . 11318 1 166 . 1 1 21 21 GLU CA C 13 58.589 0.300 . 1 . . . . 21 GLU CA . 11318 1 167 . 1 1 21 21 GLU CB C 13 29.272 0.300 . 1 . . . . 21 GLU CB . 11318 1 168 . 1 1 21 21 GLU CG C 13 36.016 0.300 . 1 . . . . 21 GLU CG . 11318 1 169 . 1 1 22 22 GLY H H 1 8.967 0.030 . 1 . . . . 22 GLY H . 11318 1 170 . 1 1 22 22 GLY HA2 H 1 3.902 0.030 . 2 . . . . 22 GLY HA2 . 11318 1 171 . 1 1 22 22 GLY HA3 H 1 4.327 0.030 . 2 . . . . 22 GLY HA3 . 11318 1 172 . 1 1 22 22 GLY C C 13 175.019 0.300 . 1 . . . . 22 GLY C . 11318 1 173 . 1 1 22 22 GLY CA C 13 45.461 0.300 . 1 . . . . 22 GLY CA . 11318 1 174 . 1 1 22 22 GLY N N 15 113.075 0.300 . 1 . . . . 22 GLY N . 11318 1 175 . 1 1 23 23 THR H H 1 7.713 0.030 . 1 . . . . 23 THR H . 11318 1 176 . 1 1 23 23 THR HA H 1 5.537 0.030 . 1 . . . . 23 THR HA . 11318 1 177 . 1 1 23 23 THR HB H 1 4.715 0.030 . 1 . . . . 23 THR HB . 11318 1 178 . 1 1 23 23 THR HG21 H 1 1.011 0.030 . 1 . . . . 23 THR HG2 . 11318 1 179 . 1 1 23 23 THR HG22 H 1 1.011 0.030 . 1 . . . . 23 THR HG2 . 11318 1 180 . 1 1 23 23 THR HG23 H 1 1.011 0.030 . 1 . . . . 23 THR HG2 . 11318 1 181 . 1 1 23 23 THR C C 13 174.196 0.300 . 1 . . . . 23 THR C . 11318 1 182 . 1 1 23 23 THR CA C 13 60.845 0.300 . 1 . . . . 23 THR CA . 11318 1 183 . 1 1 23 23 THR CB C 13 72.603 0.300 . 1 . . . . 23 THR CB . 11318 1 184 . 1 1 23 23 THR CG2 C 13 22.727 0.300 . 1 . . . . 23 THR CG2 . 11318 1 185 . 1 1 23 23 THR N N 15 110.537 0.300 . 1 . . . . 23 THR N . 11318 1 186 . 1 1 24 24 ILE H H 1 7.822 0.030 . 1 . . . . 24 ILE H . 11318 1 187 . 1 1 24 24 ILE HA H 1 4.769 0.030 . 1 . . . . 24 ILE HA . 11318 1 188 . 1 1 24 24 ILE HB H 1 1.515 0.030 . 1 . . . . 24 ILE HB . 11318 1 189 . 1 1 24 24 ILE HD11 H 1 0.704 0.030 . 1 . . . . 24 ILE HD1 . 11318 1 190 . 1 1 24 24 ILE HD12 H 1 0.704 0.030 . 1 . . . . 24 ILE HD1 . 11318 1 191 . 1 1 24 24 ILE HD13 H 1 0.704 0.030 . 1 . . . . 24 ILE HD1 . 11318 1 192 . 1 1 24 24 ILE HG12 H 1 1.471 0.030 . 2 . . . . 24 ILE HG12 . 11318 1 193 . 1 1 24 24 ILE HG13 H 1 0.954 0.030 . 2 . . . . 24 ILE HG13 . 11318 1 194 . 1 1 24 24 ILE HG21 H 1 0.587 0.030 . 1 . . . . 24 ILE HG2 . 11318 1 195 . 1 1 24 24 ILE HG22 H 1 0.587 0.030 . 1 . . . . 24 ILE HG2 . 11318 1 196 . 1 1 24 24 ILE HG23 H 1 0.587 0.030 . 1 . . . . 24 ILE HG2 . 11318 1 197 . 1 1 24 24 ILE C C 13 171.838 0.300 . 1 . . . . 24 ILE C . 11318 1 198 . 1 1 24 24 ILE CA C 13 58.893 0.300 . 1 . . . . 24 ILE CA . 11318 1 199 . 1 1 24 24 ILE CB C 13 42.921 0.300 . 1 . . . . 24 ILE CB . 11318 1 200 . 1 1 24 24 ILE CD1 C 13 14.713 0.300 . 1 . . . . 24 ILE CD1 . 11318 1 201 . 1 1 24 24 ILE CG1 C 13 27.547 0.300 . 1 . . . . 24 ILE CG1 . 11318 1 202 . 1 1 24 24 ILE CG2 C 13 17.210 0.300 . 1 . . . . 24 ILE CG2 . 11318 1 203 . 1 1 24 24 ILE N N 15 117.065 0.300 . 1 . . . . 24 ILE N . 11318 1 204 . 1 1 25 25 SER H H 1 7.490 0.030 . 1 . . . . 25 SER H . 11318 1 205 . 1 1 25 25 SER HA H 1 4.939 0.030 . 1 . . . . 25 SER HA . 11318 1 206 . 1 1 25 25 SER HB2 H 1 3.778 0.030 . 2 . . . . 25 SER HB2 . 11318 1 207 . 1 1 25 25 SER HB3 H 1 4.072 0.030 . 2 . . . . 25 SER HB3 . 11318 1 208 . 1 1 25 25 SER C C 13 172.296 0.300 . 1 . . . . 25 SER C . 11318 1 209 . 1 1 25 25 SER CA C 13 57.723 0.300 . 1 . . . . 25 SER CA . 11318 1 210 . 1 1 25 25 SER CB C 13 64.840 0.300 . 1 . . . . 25 SER CB . 11318 1 211 . 1 1 25 25 SER N N 15 114.933 0.300 . 1 . . . . 25 SER N . 11318 1 212 . 1 1 26 26 MET H H 1 8.900 0.030 . 1 . . . . 26 MET H . 11318 1 213 . 1 1 26 26 MET HA H 1 4.825 0.030 . 1 . . . . 26 MET HA . 11318 1 214 . 1 1 26 26 MET HB2 H 1 1.941 0.030 . 1 . . . . 26 MET HB2 . 11318 1 215 . 1 1 26 26 MET HB3 H 1 1.941 0.030 . 1 . . . . 26 MET HB3 . 11318 1 216 . 1 1 26 26 MET HE1 H 1 2.163 0.030 . 1 . . . . 26 MET HE . 11318 1 217 . 1 1 26 26 MET HE2 H 1 2.163 0.030 . 1 . . . . 26 MET HE . 11318 1 218 . 1 1 26 26 MET HE3 H 1 2.163 0.030 . 1 . . . . 26 MET HE . 11318 1 219 . 1 1 26 26 MET HG2 H 1 2.839 0.030 . 2 . . . . 26 MET HG2 . 11318 1 220 . 1 1 26 26 MET HG3 H 1 2.497 0.030 . 2 . . . . 26 MET HG3 . 11318 1 221 . 1 1 26 26 MET C C 13 174.031 0.300 . 1 . . . . 26 MET C . 11318 1 222 . 1 1 26 26 MET CA C 13 55.165 0.300 . 1 . . . . 26 MET CA . 11318 1 223 . 1 1 26 26 MET CB C 13 35.154 0.300 . 1 . . . . 26 MET CB . 11318 1 224 . 1 1 26 26 MET CE C 13 19.059 0.300 . 1 . . . . 26 MET CE . 11318 1 225 . 1 1 26 26 MET CG C 13 31.707 0.300 . 1 . . . . 26 MET CG . 11318 1 226 . 1 1 26 26 MET N N 15 112.327 0.300 . 1 . . . . 26 MET N . 11318 1 227 . 1 1 27 27 ALA H H 1 9.142 0.030 . 1 . . . . 27 ALA H . 11318 1 228 . 1 1 27 27 ALA HA H 1 4.886 0.030 . 1 . . . . 27 ALA HA . 11318 1 229 . 1 1 27 27 ALA HB1 H 1 1.428 0.030 . 1 . . . . 27 ALA HB . 11318 1 230 . 1 1 27 27 ALA HB2 H 1 1.428 0.030 . 1 . . . . 27 ALA HB . 11318 1 231 . 1 1 27 27 ALA HB3 H 1 1.428 0.030 . 1 . . . . 27 ALA HB . 11318 1 232 . 1 1 27 27 ALA C C 13 176.583 0.300 . 1 . . . . 27 ALA C . 11318 1 233 . 1 1 27 27 ALA CA C 13 49.837 0.300 . 1 . . . . 27 ALA CA . 11318 1 234 . 1 1 27 27 ALA CB C 13 20.688 0.300 . 1 . . . . 27 ALA CB . 11318 1 235 . 1 1 27 27 ALA N N 15 126.176 0.300 . 1 . . . . 27 ALA N . 11318 1 236 . 1 1 28 28 GLU H H 1 8.157 0.030 . 1 . . . . 28 GLU H . 11318 1 237 . 1 1 28 28 GLU HA H 1 3.226 0.030 . 1 . . . . 28 GLU HA . 11318 1 238 . 1 1 28 28 GLU HB2 H 1 1.722 0.030 . 2 . . . . 28 GLU HB2 . 11318 1 239 . 1 1 28 28 GLU HB3 H 1 1.769 0.030 . 2 . . . . 28 GLU HB3 . 11318 1 240 . 1 1 28 28 GLU HG2 H 1 1.943 0.030 . 2 . . . . 28 GLU HG2 . 11318 1 241 . 1 1 28 28 GLU HG3 H 1 2.091 0.030 . 2 . . . . 28 GLU HG3 . 11318 1 242 . 1 1 28 28 GLU C C 13 177.520 0.300 . 1 . . . . 28 GLU C . 11318 1 243 . 1 1 28 28 GLU CA C 13 58.830 0.300 . 1 . . . . 28 GLU CA . 11318 1 244 . 1 1 28 28 GLU CB C 13 29.344 0.300 . 1 . . . . 28 GLU CB . 11318 1 245 . 1 1 28 28 GLU CG C 13 35.773 0.300 . 1 . . . . 28 GLU CG . 11318 1 246 . 1 1 28 28 GLU N N 15 120.353 0.300 . 1 . . . . 28 GLU N . 11318 1 247 . 1 1 29 29 GLY H H 1 8.788 0.030 . 1 . . . . 29 GLY H . 11318 1 248 . 1 1 29 29 GLY HA2 H 1 3.562 0.030 . 2 . . . . 29 GLY HA2 . 11318 1 249 . 1 1 29 29 GLY HA3 H 1 4.236 0.030 . 2 . . . . 29 GLY HA3 . 11318 1 250 . 1 1 29 29 GLY C C 13 173.680 0.300 . 1 . . . . 29 GLY C . 11318 1 251 . 1 1 29 29 GLY CA C 13 45.239 0.300 . 1 . . . . 29 GLY CA . 11318 1 252 . 1 1 29 29 GLY N N 15 115.193 0.300 . 1 . . . . 29 GLY N . 11318 1 253 . 1 1 30 30 GLU H H 1 8.030 0.030 . 1 . . . . 30 GLU H . 11318 1 254 . 1 1 30 30 GLU HA H 1 4.141 0.030 . 1 . . . . 30 GLU HA . 11318 1 255 . 1 1 30 30 GLU HB2 H 1 2.050 0.030 . 2 . . . . 30 GLU HB2 . 11318 1 256 . 1 1 30 30 GLU HB3 H 1 2.297 0.030 . 2 . . . . 30 GLU HB3 . 11318 1 257 . 1 1 30 30 GLU HG2 H 1 2.454 0.030 . 2 . . . . 30 GLU HG2 . 11318 1 258 . 1 1 30 30 GLU HG3 H 1 2.288 0.030 . 2 . . . . 30 GLU HG3 . 11318 1 259 . 1 1 30 30 GLU C C 13 174.708 0.300 . 1 . . . . 30 GLU C . 11318 1 260 . 1 1 30 30 GLU CA C 13 57.744 0.300 . 1 . . . . 30 GLU CA . 11318 1 261 . 1 1 30 30 GLU CB C 13 31.762 0.300 . 1 . . . . 30 GLU CB . 11318 1 262 . 1 1 30 30 GLU CG C 13 36.518 0.300 . 1 . . . . 30 GLU CG . 11318 1 263 . 1 1 30 30 GLU N N 15 122.589 0.300 . 1 . . . . 30 GLU N . 11318 1 264 . 1 1 31 31 ASP H H 1 8.440 0.030 . 1 . . . . 31 ASP H . 11318 1 265 . 1 1 31 31 ASP HA H 1 5.128 0.030 . 1 . . . . 31 ASP HA . 11318 1 266 . 1 1 31 31 ASP HB2 H 1 2.671 0.030 . 2 . . . . 31 ASP HB2 . 11318 1 267 . 1 1 31 31 ASP HB3 H 1 2.752 0.030 . 2 . . . . 31 ASP HB3 . 11318 1 268 . 1 1 31 31 ASP C C 13 175.813 0.300 . 1 . . . . 31 ASP C . 11318 1 269 . 1 1 31 31 ASP CA C 13 54.577 0.300 . 1 . . . . 31 ASP CA . 11318 1 270 . 1 1 31 31 ASP CB C 13 42.793 0.300 . 1 . . . . 31 ASP CB . 11318 1 271 . 1 1 31 31 ASP N N 15 123.242 0.300 . 1 . . . . 31 ASP N . 11318 1 272 . 1 1 32 32 LEU H H 1 9.088 0.030 . 1 . . . . 32 LEU H . 11318 1 273 . 1 1 32 32 LEU HA H 1 4.858 0.030 . 1 . . . . 32 LEU HA . 11318 1 274 . 1 1 32 32 LEU HB2 H 1 1.223 0.030 . 2 . . . . 32 LEU HB2 . 11318 1 275 . 1 1 32 32 LEU HB3 H 1 1.681 0.030 . 2 . . . . 32 LEU HB3 . 11318 1 276 . 1 1 32 32 LEU HD11 H 1 0.852 0.030 . 1 . . . . 32 LEU HD1 . 11318 1 277 . 1 1 32 32 LEU HD12 H 1 0.852 0.030 . 1 . . . . 32 LEU HD1 . 11318 1 278 . 1 1 32 32 LEU HD13 H 1 0.852 0.030 . 1 . . . . 32 LEU HD1 . 11318 1 279 . 1 1 32 32 LEU HD21 H 1 0.834 0.030 . 1 . . . . 32 LEU HD2 . 11318 1 280 . 1 1 32 32 LEU HD22 H 1 0.834 0.030 . 1 . . . . 32 LEU HD2 . 11318 1 281 . 1 1 32 32 LEU HD23 H 1 0.834 0.030 . 1 . . . . 32 LEU HD2 . 11318 1 282 . 1 1 32 32 LEU HG H 1 1.598 0.030 . 1 . . . . 32 LEU HG . 11318 1 283 . 1 1 32 32 LEU C C 13 176.308 0.300 . 1 . . . . 32 LEU C . 11318 1 284 . 1 1 32 32 LEU CA C 13 53.754 0.300 . 1 . . . . 32 LEU CA . 11318 1 285 . 1 1 32 32 LEU CB C 13 46.274 0.300 . 1 . . . . 32 LEU CB . 11318 1 286 . 1 1 32 32 LEU CD1 C 13 28.126 0.300 . 2 . . . . 32 LEU CD1 . 11318 1 287 . 1 1 32 32 LEU CD2 C 13 25.669 0.300 . 2 . . . . 32 LEU CD2 . 11318 1 288 . 1 1 32 32 LEU CG C 13 27.249 0.300 . 1 . . . . 32 LEU CG . 11318 1 289 . 1 1 32 32 LEU N N 15 125.515 0.300 . 1 . . . . 32 LEU N . 11318 1 290 . 1 1 33 33 SER H H 1 8.287 0.030 . 1 . . . . 33 SER H . 11318 1 291 . 1 1 33 33 SER HA H 1 4.900 0.030 . 1 . . . . 33 SER HA . 11318 1 292 . 1 1 33 33 SER HB2 H 1 3.692 0.030 . 2 . . . . 33 SER HB2 . 11318 1 293 . 1 1 33 33 SER HB3 H 1 3.786 0.030 . 2 . . . . 33 SER HB3 . 11318 1 294 . 1 1 33 33 SER C C 13 173.472 0.300 . 1 . . . . 33 SER C . 11318 1 295 . 1 1 33 33 SER CA C 13 57.650 0.300 . 1 . . . . 33 SER CA . 11318 1 296 . 1 1 33 33 SER CB C 13 64.143 0.300 . 1 . . . . 33 SER CB . 11318 1 297 . 1 1 33 33 SER N N 15 115.152 0.300 . 1 . . . . 33 SER N . 11318 1 298 . 1 1 34 34 LEU H H 1 8.526 0.030 . 1 . . . . 34 LEU H . 11318 1 299 . 1 1 34 34 LEU HA H 1 4.055 0.030 . 1 . . . . 34 LEU HA . 11318 1 300 . 1 1 34 34 LEU HB2 H 1 1.298 0.030 . 2 . . . . 34 LEU HB2 . 11318 1 301 . 1 1 34 34 LEU HB3 H 1 1.570 0.030 . 2 . . . . 34 LEU HB3 . 11318 1 302 . 1 1 34 34 LEU HD11 H 1 0.690 0.030 . 1 . . . . 34 LEU HD1 . 11318 1 303 . 1 1 34 34 LEU HD12 H 1 0.690 0.030 . 1 . . . . 34 LEU HD1 . 11318 1 304 . 1 1 34 34 LEU HD13 H 1 0.690 0.030 . 1 . . . . 34 LEU HD1 . 11318 1 305 . 1 1 34 34 LEU HD21 H 1 0.801 0.030 . 1 . . . . 34 LEU HD2 . 11318 1 306 . 1 1 34 34 LEU HD22 H 1 0.801 0.030 . 1 . . . . 34 LEU HD2 . 11318 1 307 . 1 1 34 34 LEU HD23 H 1 0.801 0.030 . 1 . . . . 34 LEU HD2 . 11318 1 308 . 1 1 34 34 LEU HG H 1 1.324 0.030 . 1 . . . . 34 LEU HG . 11318 1 309 . 1 1 34 34 LEU C C 13 175.710 0.300 . 1 . . . . 34 LEU C . 11318 1 310 . 1 1 34 34 LEU CA C 13 56.505 0.300 . 1 . . . . 34 LEU CA . 11318 1 311 . 1 1 34 34 LEU CB C 13 42.793 0.300 . 1 . . . . 34 LEU CB . 11318 1 312 . 1 1 34 34 LEU CD1 C 13 24.733 0.300 . 2 . . . . 34 LEU CD1 . 11318 1 313 . 1 1 34 34 LEU CD2 C 13 25.987 0.300 . 2 . . . . 34 LEU CD2 . 11318 1 314 . 1 1 34 34 LEU CG C 13 28.745 0.300 . 1 . . . . 34 LEU CG . 11318 1 315 . 1 1 34 34 LEU N N 15 128.530 0.300 . 1 . . . . 34 LEU N . 11318 1 316 . 1 1 35 35 MET H H 1 8.830 0.030 . 1 . . . . 35 MET H . 11318 1 317 . 1 1 35 35 MET HA H 1 4.683 0.030 . 1 . . . . 35 MET HA . 11318 1 318 . 1 1 35 35 MET HB2 H 1 1.359 0.030 . 2 . . . . 35 MET HB2 . 11318 1 319 . 1 1 35 35 MET HB3 H 1 2.043 0.030 . 2 . . . . 35 MET HB3 . 11318 1 320 . 1 1 35 35 MET HE1 H 1 1.938 0.030 . 1 . . . . 35 MET HE . 11318 1 321 . 1 1 35 35 MET HE2 H 1 1.938 0.030 . 1 . . . . 35 MET HE . 11318 1 322 . 1 1 35 35 MET HE3 H 1 1.938 0.030 . 1 . . . . 35 MET HE . 11318 1 323 . 1 1 35 35 MET HG2 H 1 2.146 0.030 . 2 . . . . 35 MET HG2 . 11318 1 324 . 1 1 35 35 MET HG3 H 1 2.310 0.030 . 2 . . . . 35 MET HG3 . 11318 1 325 . 1 1 35 35 MET C C 13 176.341 0.300 . 1 . . . . 35 MET C . 11318 1 326 . 1 1 35 35 MET CA C 13 55.258 0.300 . 1 . . . . 35 MET CA . 11318 1 327 . 1 1 35 35 MET CB C 13 32.765 0.300 . 1 . . . . 35 MET CB . 11318 1 328 . 1 1 35 35 MET CE C 13 16.468 0.300 . 1 . . . . 35 MET CE . 11318 1 329 . 1 1 35 35 MET CG C 13 31.503 0.300 . 1 . . . . 35 MET CG . 11318 1 330 . 1 1 35 35 MET N N 15 124.229 0.300 . 1 . . . . 35 MET N . 11318 1 331 . 1 1 36 36 GLU H H 1 7.675 0.030 . 1 . . . . 36 GLU H . 11318 1 332 . 1 1 36 36 GLU HA H 1 4.493 0.030 . 1 . . . . 36 GLU HA . 11318 1 333 . 1 1 36 36 GLU HB2 H 1 1.896 0.030 . 2 . . . . 36 GLU HB2 . 11318 1 334 . 1 1 36 36 GLU HB3 H 1 2.085 0.030 . 2 . . . . 36 GLU HB3 . 11318 1 335 . 1 1 36 36 GLU HG2 H 1 2.440 0.030 . 2 . . . . 36 GLU HG2 . 11318 1 336 . 1 1 36 36 GLU HG3 H 1 2.221 0.030 . 2 . . . . 36 GLU HG3 . 11318 1 337 . 1 1 36 36 GLU C C 13 174.205 0.300 . 1 . . . . 36 GLU C . 11318 1 338 . 1 1 36 36 GLU CA C 13 56.116 0.300 . 1 . . . . 36 GLU CA . 11318 1 339 . 1 1 36 36 GLU CB C 13 33.513 0.300 . 1 . . . . 36 GLU CB . 11318 1 340 . 1 1 36 36 GLU CG C 13 36.267 0.300 . 1 . . . . 36 GLU CG . 11318 1 341 . 1 1 36 36 GLU N N 15 118.683 0.300 . 1 . . . . 36 GLU N . 11318 1 342 . 1 1 37 37 GLU H H 1 8.752 0.030 . 1 . . . . 37 GLU H . 11318 1 343 . 1 1 37 37 GLU HA H 1 4.364 0.030 . 1 . . . . 37 GLU HA . 11318 1 344 . 1 1 37 37 GLU HB2 H 1 1.978 0.030 . 2 . . . . 37 GLU HB2 . 11318 1 345 . 1 1 37 37 GLU HB3 H 1 2.046 0.030 . 2 . . . . 37 GLU HB3 . 11318 1 346 . 1 1 37 37 GLU HG2 H 1 2.302 0.030 . 1 . . . . 37 GLU HG2 . 11318 1 347 . 1 1 37 37 GLU HG3 H 1 2.302 0.030 . 1 . . . . 37 GLU HG3 . 11318 1 348 . 1 1 37 37 GLU C C 13 175.927 0.300 . 1 . . . . 37 GLU C . 11318 1 349 . 1 1 37 37 GLU CA C 13 56.301 0.300 . 1 . . . . 37 GLU CA . 11318 1 350 . 1 1 37 37 GLU CB C 13 31.010 0.300 . 1 . . . . 37 GLU CB . 11318 1 351 . 1 1 37 37 GLU CG C 13 37.027 0.300 . 1 . . . . 37 GLU CG . 11318 1 352 . 1 1 37 37 GLU N N 15 124.657 0.300 . 1 . . . . 37 GLU N . 11318 1 353 . 1 1 38 38 ASP H H 1 8.622 0.030 . 1 . . . . 38 ASP H . 11318 1 354 . 1 1 38 38 ASP HA H 1 4.875 0.030 . 1 . . . . 38 ASP HA . 11318 1 355 . 1 1 38 38 ASP HB2 H 1 2.594 0.030 . 2 . . . . 38 ASP HB2 . 11318 1 356 . 1 1 38 38 ASP HB3 H 1 2.758 0.030 . 2 . . . . 38 ASP HB3 . 11318 1 357 . 1 1 38 38 ASP C C 13 178.077 0.300 . 1 . . . . 38 ASP C . 11318 1 358 . 1 1 38 38 ASP CA C 13 54.537 0.300 . 1 . . . . 38 ASP CA . 11318 1 359 . 1 1 38 38 ASP CB C 13 41.360 0.300 . 1 . . . . 38 ASP CB . 11318 1 360 . 1 1 38 38 ASP N N 15 122.994 0.300 . 1 . . . . 38 ASP N . 11318 1 361 . 1 1 39 39 LYS H H 1 9.404 0.030 . 1 . . . . 39 LYS H . 11318 1 362 . 1 1 39 39 LYS HA H 1 4.432 0.030 . 1 . . . . 39 LYS HA . 11318 1 363 . 1 1 39 39 LYS HB2 H 1 1.841 0.030 . 2 . . . . 39 LYS HB2 . 11318 1 364 . 1 1 39 39 LYS HB3 H 1 2.092 0.030 . 2 . . . . 39 LYS HB3 . 11318 1 365 . 1 1 39 39 LYS HD2 H 1 1.722 0.030 . 2 . . . . 39 LYS HD2 . 11318 1 366 . 1 1 39 39 LYS HD3 H 1 1.792 0.030 . 2 . . . . 39 LYS HD3 . 11318 1 367 . 1 1 39 39 LYS HE2 H 1 3.062 0.030 . 1 . . . . 39 LYS HE2 . 11318 1 368 . 1 1 39 39 LYS HE3 H 1 3.062 0.030 . 1 . . . . 39 LYS HE3 . 11318 1 369 . 1 1 39 39 LYS HG2 H 1 1.627 0.030 . 2 . . . . 39 LYS HG2 . 11318 1 370 . 1 1 39 39 LYS HG3 H 1 1.695 0.030 . 2 . . . . 39 LYS HG3 . 11318 1 371 . 1 1 39 39 LYS C C 13 177.227 0.300 . 1 . . . . 39 LYS C . 11318 1 372 . 1 1 39 39 LYS CA C 13 56.532 0.300 . 1 . . . . 39 LYS CA . 11318 1 373 . 1 1 39 39 LYS CB C 13 32.154 0.300 . 1 . . . . 39 LYS CB . 11318 1 374 . 1 1 39 39 LYS CD C 13 28.995 0.300 . 1 . . . . 39 LYS CD . 11318 1 375 . 1 1 39 39 LYS CE C 13 42.034 0.300 . 1 . . . . 39 LYS CE . 11318 1 376 . 1 1 39 39 LYS CG C 13 24.482 0.300 . 1 . . . . 39 LYS CG . 11318 1 377 . 1 1 39 39 LYS N N 15 129.219 0.300 . 1 . . . . 39 LYS N . 11318 1 378 . 1 1 40 40 GLY H H 1 10.034 0.030 . 1 . . . . 40 GLY H . 11318 1 379 . 1 1 40 40 GLY HA2 H 1 3.608 0.030 . 2 . . . . 40 GLY HA2 . 11318 1 380 . 1 1 40 40 GLY HA3 H 1 4.553 0.030 . 2 . . . . 40 GLY HA3 . 11318 1 381 . 1 1 40 40 GLY C C 13 174.113 0.300 . 1 . . . . 40 GLY C . 11318 1 382 . 1 1 40 40 GLY CA C 13 44.968 0.300 . 1 . . . . 40 GLY CA . 11318 1 383 . 1 1 40 40 GLY N N 15 110.152 0.300 . 1 . . . . 40 GLY N . 11318 1 384 . 1 1 41 41 ASP H H 1 8.356 0.030 . 1 . . . . 41 ASP H . 11318 1 385 . 1 1 41 41 ASP HA H 1 4.716 0.030 . 1 . . . . 41 ASP HA . 11318 1 386 . 1 1 41 41 ASP HB2 H 1 2.627 0.030 . 2 . . . . 41 ASP HB2 . 11318 1 387 . 1 1 41 41 ASP HB3 H 1 3.081 0.030 . 2 . . . . 41 ASP HB3 . 11318 1 388 . 1 1 41 41 ASP C C 13 177.152 0.300 . 1 . . . . 41 ASP C . 11318 1 389 . 1 1 41 41 ASP CA C 13 52.978 0.300 . 1 . . . . 41 ASP CA . 11318 1 390 . 1 1 41 41 ASP CB C 13 41.289 0.300 . 1 . . . . 41 ASP CB . 11318 1 391 . 1 1 41 41 ASP N N 15 119.002 0.300 . 1 . . . . 41 ASP N . 11318 1 392 . 1 1 42 42 GLY H H 1 9.299 0.030 . 1 . . . . 42 GLY H . 11318 1 393 . 1 1 42 42 GLY HA2 H 1 3.761 0.030 . 2 . . . . 42 GLY HA2 . 11318 1 394 . 1 1 42 42 GLY HA3 H 1 4.065 0.030 . 2 . . . . 42 GLY HA3 . 11318 1 395 . 1 1 42 42 GLY C C 13 174.942 0.300 . 1 . . . . 42 GLY C . 11318 1 396 . 1 1 42 42 GLY CA C 13 45.777 0.300 . 1 . . . . 42 GLY CA . 11318 1 397 . 1 1 42 42 GLY N N 15 110.092 0.300 . 1 . . . . 42 GLY N . 11318 1 398 . 1 1 43 43 TRP H H 1 7.478 0.030 . 1 . . . . 43 TRP H . 11318 1 399 . 1 1 43 43 TRP HA H 1 5.116 0.030 . 1 . . . . 43 TRP HA . 11318 1 400 . 1 1 43 43 TRP HB2 H 1 2.780 0.030 . 2 . . . . 43 TRP HB2 . 11318 1 401 . 1 1 43 43 TRP HB3 H 1 2.954 0.030 . 2 . . . . 43 TRP HB3 . 11318 1 402 . 1 1 43 43 TRP HD1 H 1 6.773 0.030 . 1 . . . . 43 TRP HD1 . 11318 1 403 . 1 1 43 43 TRP HE1 H 1 9.987 0.030 . 1 . . . . 43 TRP HE1 . 11318 1 404 . 1 1 43 43 TRP HE3 H 1 7.113 0.030 . 1 . . . . 43 TRP HE3 . 11318 1 405 . 1 1 43 43 TRP HH2 H 1 7.281 0.030 . 1 . . . . 43 TRP HH2 . 11318 1 406 . 1 1 43 43 TRP HZ2 H 1 7.432 0.030 . 1 . . . . 43 TRP HZ2 . 11318 1 407 . 1 1 43 43 TRP HZ3 H 1 6.687 0.030 . 1 . . . . 43 TRP HZ3 . 11318 1 408 . 1 1 43 43 TRP C C 13 175.131 0.300 . 1 . . . . 43 TRP C . 11318 1 409 . 1 1 43 43 TRP CA C 13 56.082 0.300 . 1 . . . . 43 TRP CA . 11318 1 410 . 1 1 43 43 TRP CB C 13 31.969 0.300 . 1 . . . . 43 TRP CB . 11318 1 411 . 1 1 43 43 TRP CD1 C 13 128.570 0.300 . 1 . . . . 43 TRP CD1 . 11318 1 412 . 1 1 43 43 TRP CE3 C 13 119.406 0.300 . 1 . . . . 43 TRP CE3 . 11318 1 413 . 1 1 43 43 TRP CH2 C 13 123.888 0.300 . 1 . . . . 43 TRP CH2 . 11318 1 414 . 1 1 43 43 TRP CZ2 C 13 114.768 0.300 . 1 . . . . 43 TRP CZ2 . 11318 1 415 . 1 1 43 43 TRP CZ3 C 13 120.816 0.300 . 1 . . . . 43 TRP CZ3 . 11318 1 416 . 1 1 43 43 TRP N N 15 121.812 0.300 . 1 . . . . 43 TRP N . 11318 1 417 . 1 1 43 43 TRP NE1 N 15 129.467 0.300 . 1 . . . . 43 TRP NE1 . 11318 1 418 . 1 1 44 44 THR H H 1 9.446 0.030 . 1 . . . . 44 THR H . 11318 1 419 . 1 1 44 44 THR HA H 1 4.582 0.030 . 1 . . . . 44 THR HA . 11318 1 420 . 1 1 44 44 THR HB H 1 3.571 0.030 . 1 . . . . 44 THR HB . 11318 1 421 . 1 1 44 44 THR HG21 H 1 1.080 0.030 . 1 . . . . 44 THR HG2 . 11318 1 422 . 1 1 44 44 THR HG22 H 1 1.080 0.030 . 1 . . . . 44 THR HG2 . 11318 1 423 . 1 1 44 44 THR HG23 H 1 1.080 0.030 . 1 . . . . 44 THR HG2 . 11318 1 424 . 1 1 44 44 THR C C 13 172.748 0.300 . 1 . . . . 44 THR C . 11318 1 425 . 1 1 44 44 THR CA C 13 62.737 0.300 . 1 . . . . 44 THR CA . 11318 1 426 . 1 1 44 44 THR CB C 13 72.880 0.300 . 1 . . . . 44 THR CB . 11318 1 427 . 1 1 44 44 THR CG2 C 13 21.724 0.300 . 1 . . . . 44 THR CG2 . 11318 1 428 . 1 1 44 44 THR N N 15 119.676 0.300 . 1 . . . . 44 THR N . 11318 1 429 . 1 1 45 45 ARG H H 1 8.562 0.030 . 1 . . . . 45 ARG H . 11318 1 430 . 1 1 45 45 ARG HA H 1 4.493 0.030 . 1 . . . . 45 ARG HA . 11318 1 431 . 1 1 45 45 ARG HB2 H 1 1.361 0.030 . 2 . . . . 45 ARG HB2 . 11318 1 432 . 1 1 45 45 ARG HB3 H 1 1.661 0.030 . 2 . . . . 45 ARG HB3 . 11318 1 433 . 1 1 45 45 ARG HD2 H 1 2.760 0.030 . 1 . . . . 45 ARG HD2 . 11318 1 434 . 1 1 45 45 ARG HD3 H 1 2.760 0.030 . 1 . . . . 45 ARG HD3 . 11318 1 435 . 1 1 45 45 ARG HE H 1 7.513 0.030 . 1 . . . . 45 ARG HE . 11318 1 436 . 1 1 45 45 ARG HG2 H 1 0.438 0.030 . 2 . . . . 45 ARG HG2 . 11318 1 437 . 1 1 45 45 ARG HG3 H 1 1.098 0.030 . 2 . . . . 45 ARG HG3 . 11318 1 438 . 1 1 45 45 ARG C C 13 175.253 0.300 . 1 . . . . 45 ARG C . 11318 1 439 . 1 1 45 45 ARG CA C 13 55.656 0.300 . 1 . . . . 45 ARG CA . 11318 1 440 . 1 1 45 45 ARG CB C 13 32.530 0.300 . 1 . . . . 45 ARG CB . 11318 1 441 . 1 1 45 45 ARG CD C 13 43.295 0.300 . 1 . . . . 45 ARG CD . 11318 1 442 . 1 1 45 45 ARG CG C 13 28.687 0.300 . 1 . . . . 45 ARG CG . 11318 1 443 . 1 1 45 45 ARG N N 15 127.909 0.300 . 1 . . . . 45 ARG N . 11318 1 444 . 1 1 45 45 ARG NE N 15 84.301 0.300 . 1 . . . . 45 ARG NE . 11318 1 445 . 1 1 46 46 VAL H H 1 9.057 0.030 . 1 . . . . 46 VAL H . 11318 1 446 . 1 1 46 46 VAL HA H 1 5.242 0.030 . 1 . . . . 46 VAL HA . 11318 1 447 . 1 1 46 46 VAL HB H 1 1.984 0.030 . 1 . . . . 46 VAL HB . 11318 1 448 . 1 1 46 46 VAL HG11 H 1 0.742 0.030 . 1 . . . . 46 VAL HG1 . 11318 1 449 . 1 1 46 46 VAL HG12 H 1 0.742 0.030 . 1 . . . . 46 VAL HG1 . 11318 1 450 . 1 1 46 46 VAL HG13 H 1 0.742 0.030 . 1 . . . . 46 VAL HG1 . 11318 1 451 . 1 1 46 46 VAL HG21 H 1 0.794 0.030 . 1 . . . . 46 VAL HG2 . 11318 1 452 . 1 1 46 46 VAL HG22 H 1 0.794 0.030 . 1 . . . . 46 VAL HG2 . 11318 1 453 . 1 1 46 46 VAL HG23 H 1 0.794 0.030 . 1 . . . . 46 VAL HG2 . 11318 1 454 . 1 1 46 46 VAL C C 13 172.848 0.300 . 1 . . . . 46 VAL C . 11318 1 455 . 1 1 46 46 VAL CA C 13 58.773 0.300 . 1 . . . . 46 VAL CA . 11318 1 456 . 1 1 46 46 VAL CB C 13 36.407 0.300 . 1 . . . . 46 VAL CB . 11318 1 457 . 1 1 46 46 VAL CG1 C 13 22.978 0.300 . 2 . . . . 46 VAL CG1 . 11318 1 458 . 1 1 46 46 VAL CG2 C 13 18.715 0.300 . 2 . . . . 46 VAL CG2 . 11318 1 459 . 1 1 46 46 VAL N N 15 121.108 0.300 . 1 . . . . 46 VAL N . 11318 1 460 . 1 1 47 47 ARG H H 1 8.678 0.030 . 1 . . . . 47 ARG H . 11318 1 461 . 1 1 47 47 ARG HA H 1 5.244 0.030 . 1 . . . . 47 ARG HA . 11318 1 462 . 1 1 47 47 ARG HB2 H 1 1.628 0.030 . 2 . . . . 47 ARG HB2 . 11318 1 463 . 1 1 47 47 ARG HB3 H 1 1.726 0.030 . 2 . . . . 47 ARG HB3 . 11318 1 464 . 1 1 47 47 ARG HD2 H 1 3.166 0.030 . 2 . . . . 47 ARG HD2 . 11318 1 465 . 1 1 47 47 ARG HD3 H 1 3.207 0.030 . 2 . . . . 47 ARG HD3 . 11318 1 466 . 1 1 47 47 ARG HG2 H 1 1.810 0.030 . 2 . . . . 47 ARG HG2 . 11318 1 467 . 1 1 47 47 ARG HG3 H 1 1.540 0.030 . 2 . . . . 47 ARG HG3 . 11318 1 468 . 1 1 47 47 ARG C C 13 176.549 0.300 . 1 . . . . 47 ARG C . 11318 1 469 . 1 1 47 47 ARG CA C 13 54.326 0.300 . 1 . . . . 47 ARG CA . 11318 1 470 . 1 1 47 47 ARG CB C 13 34.976 0.300 . 1 . . . . 47 ARG CB . 11318 1 471 . 1 1 47 47 ARG CD C 13 44.040 0.300 . 1 . . . . 47 ARG CD . 11318 1 472 . 1 1 47 47 ARG CG C 13 27.240 0.300 . 1 . . . . 47 ARG CG . 11318 1 473 . 1 1 47 47 ARG N N 15 118.905 0.300 . 1 . . . . 47 ARG N . 11318 1 474 . 1 1 48 48 ARG H H 1 9.021 0.030 . 1 . . . . 48 ARG H . 11318 1 475 . 1 1 48 48 ARG HA H 1 4.693 0.030 . 1 . . . . 48 ARG HA . 11318 1 476 . 1 1 48 48 ARG HB2 H 1 1.793 0.030 . 2 . . . . 48 ARG HB2 . 11318 1 477 . 1 1 48 48 ARG HB3 H 1 2.249 0.030 . 2 . . . . 48 ARG HB3 . 11318 1 478 . 1 1 48 48 ARG HD2 H 1 3.148 0.030 . 2 . . . . 48 ARG HD2 . 11318 1 479 . 1 1 48 48 ARG HD3 H 1 3.709 0.030 . 2 . . . . 48 ARG HD3 . 11318 1 480 . 1 1 48 48 ARG HE H 1 8.636 0.030 . 1 . . . . 48 ARG HE . 11318 1 481 . 1 1 48 48 ARG HG2 H 1 1.653 0.030 . 2 . . . . 48 ARG HG2 . 11318 1 482 . 1 1 48 48 ARG HG3 H 1 1.534 0.030 . 2 . . . . 48 ARG HG3 . 11318 1 483 . 1 1 48 48 ARG C C 13 178.503 0.300 . 1 . . . . 48 ARG C . 11318 1 484 . 1 1 48 48 ARG CA C 13 55.534 0.300 . 1 . . . . 48 ARG CA . 11318 1 485 . 1 1 48 48 ARG CB C 13 32.538 0.300 . 1 . . . . 48 ARG CB . 11318 1 486 . 1 1 48 48 ARG CD C 13 43.430 0.300 . 1 . . . . 48 ARG CD . 11318 1 487 . 1 1 48 48 ARG CG C 13 27.249 0.300 . 1 . . . . 48 ARG CG . 11318 1 488 . 1 1 48 48 ARG N N 15 126.530 0.300 . 1 . . . . 48 ARG N . 11318 1 489 . 1 1 48 48 ARG NE N 15 86.020 0.300 . 1 . . . . 48 ARG NE . 11318 1 490 . 1 1 49 49 LYS H H 1 9.876 0.030 . 1 . . . . 49 LYS H . 11318 1 491 . 1 1 49 49 LYS HA H 1 4.004 0.030 . 1 . . . . 49 LYS HA . 11318 1 492 . 1 1 49 49 LYS HB2 H 1 1.901 0.030 . 2 . . . . 49 LYS HB2 . 11318 1 493 . 1 1 49 49 LYS HB3 H 1 2.038 0.030 . 2 . . . . 49 LYS HB3 . 11318 1 494 . 1 1 49 49 LYS HD2 H 1 1.790 0.030 . 1 . . . . 49 LYS HD2 . 11318 1 495 . 1 1 49 49 LYS HD3 H 1 1.790 0.030 . 1 . . . . 49 LYS HD3 . 11318 1 496 . 1 1 49 49 LYS HE2 H 1 3.066 0.030 . 1 . . . . 49 LYS HE2 . 11318 1 497 . 1 1 49 49 LYS HE3 H 1 3.066 0.030 . 1 . . . . 49 LYS HE3 . 11318 1 498 . 1 1 49 49 LYS HG2 H 1 1.536 0.030 . 1 . . . . 49 LYS HG2 . 11318 1 499 . 1 1 49 49 LYS HG3 H 1 1.536 0.030 . 1 . . . . 49 LYS HG3 . 11318 1 500 . 1 1 49 49 LYS C C 13 178.585 0.300 . 1 . . . . 49 LYS C . 11318 1 501 . 1 1 49 49 LYS CA C 13 59.815 0.300 . 1 . . . . 49 LYS CA . 11318 1 502 . 1 1 49 49 LYS CB C 13 32.125 0.300 . 1 . . . . 49 LYS CB . 11318 1 503 . 1 1 49 49 LYS CD C 13 29.246 0.300 . 1 . . . . 49 LYS CD . 11318 1 504 . 1 1 49 49 LYS CE C 13 42.034 0.300 . 1 . . . . 49 LYS CE . 11318 1 505 . 1 1 49 49 LYS CG C 13 24.871 0.300 . 1 . . . . 49 LYS CG . 11318 1 506 . 1 1 49 49 LYS N N 15 125.295 0.300 . 1 . . . . 49 LYS N . 11318 1 507 . 1 1 50 50 GLU H H 1 8.394 0.030 . 1 . . . . 50 GLU H . 11318 1 508 . 1 1 50 50 GLU HA H 1 4.374 0.030 . 1 . . . . 50 GLU HA . 11318 1 509 . 1 1 50 50 GLU HB2 H 1 2.091 0.030 . 2 . . . . 50 GLU HB2 . 11318 1 510 . 1 1 50 50 GLU HB3 H 1 2.208 0.030 . 2 . . . . 50 GLU HB3 . 11318 1 511 . 1 1 50 50 GLU HG2 H 1 2.340 0.030 . 2 . . . . 50 GLU HG2 . 11318 1 512 . 1 1 50 50 GLU HG3 H 1 2.305 0.030 . 2 . . . . 50 GLU HG3 . 11318 1 513 . 1 1 50 50 GLU C C 13 176.694 0.300 . 1 . . . . 50 GLU C . 11318 1 514 . 1 1 50 50 GLU CA C 13 56.801 0.300 . 1 . . . . 50 GLU CA . 11318 1 515 . 1 1 50 50 GLU CB C 13 28.898 0.300 . 1 . . . . 50 GLU CB . 11318 1 516 . 1 1 50 50 GLU CG C 13 36.518 0.300 . 1 . . . . 50 GLU CG . 11318 1 517 . 1 1 50 50 GLU N N 15 114.828 0.300 . 1 . . . . 50 GLU N . 11318 1 518 . 1 1 51 51 GLY H H 1 7.808 0.030 . 1 . . . . 51 GLY H . 11318 1 519 . 1 1 51 51 GLY HA2 H 1 3.545 0.030 . 2 . . . . 51 GLY HA2 . 11318 1 520 . 1 1 51 51 GLY HA3 H 1 4.505 0.030 . 2 . . . . 51 GLY HA3 . 11318 1 521 . 1 1 51 51 GLY C C 13 174.184 0.300 . 1 . . . . 51 GLY C . 11318 1 522 . 1 1 51 51 GLY CA C 13 44.880 0.300 . 1 . . . . 51 GLY CA . 11318 1 523 . 1 1 51 51 GLY N N 15 107.737 0.300 . 1 . . . . 51 GLY N . 11318 1 524 . 1 1 52 52 GLY H H 1 8.278 0.030 . 1 . . . . 52 GLY H . 11318 1 525 . 1 1 52 52 GLY HA2 H 1 3.902 0.030 . 1 . . . . 52 GLY HA2 . 11318 1 526 . 1 1 52 52 GLY HA3 H 1 3.902 0.030 . 1 . . . . 52 GLY HA3 . 11318 1 527 . 1 1 52 52 GLY C C 13 171.700 0.300 . 1 . . . . 52 GLY C . 11318 1 528 . 1 1 52 52 GLY CA C 13 45.520 0.300 . 1 . . . . 52 GLY CA . 11318 1 529 . 1 1 52 52 GLY N N 15 110.885 0.300 . 1 . . . . 52 GLY N . 11318 1 530 . 1 1 53 53 GLU H H 1 8.283 0.030 . 1 . . . . 53 GLU H . 11318 1 531 . 1 1 53 53 GLU HA H 1 5.561 0.030 . 1 . . . . 53 GLU HA . 11318 1 532 . 1 1 53 53 GLU HB2 H 1 1.813 0.030 . 2 . . . . 53 GLU HB2 . 11318 1 533 . 1 1 53 53 GLU HB3 H 1 1.922 0.030 . 2 . . . . 53 GLU HB3 . 11318 1 534 . 1 1 53 53 GLU HG2 H 1 2.232 0.030 . 2 . . . . 53 GLU HG2 . 11318 1 535 . 1 1 53 53 GLU HG3 H 1 2.014 0.030 . 2 . . . . 53 GLU HG3 . 11318 1 536 . 1 1 53 53 GLU C C 13 175.577 0.300 . 1 . . . . 53 GLU C . 11318 1 537 . 1 1 53 53 GLU CA C 13 53.749 0.300 . 1 . . . . 53 GLU CA . 11318 1 538 . 1 1 53 53 GLU CB C 13 34.169 0.300 . 1 . . . . 53 GLU CB . 11318 1 539 . 1 1 53 53 GLU CG C 13 36.267 0.300 . 1 . . . . 53 GLU CG . 11318 1 540 . 1 1 53 53 GLU N N 15 121.128 0.300 . 1 . . . . 53 GLU N . 11318 1 541 . 1 1 54 54 GLY H H 1 8.540 0.030 . 1 . . . . 54 GLY H . 11318 1 542 . 1 1 54 54 GLY HA2 H 1 3.759 0.030 . 2 . . . . 54 GLY HA2 . 11318 1 543 . 1 1 54 54 GLY HA3 H 1 3.903 0.030 . 2 . . . . 54 GLY HA3 . 11318 1 544 . 1 1 54 54 GLY C C 13 170.327 0.300 . 1 . . . . 54 GLY C . 11318 1 545 . 1 1 54 54 GLY CA C 13 45.222 0.300 . 1 . . . . 54 GLY CA . 11318 1 546 . 1 1 54 54 GLY N N 15 107.971 0.300 . 1 . . . . 54 GLY N . 11318 1 547 . 1 1 55 55 TYR H H 1 8.772 0.030 . 1 . . . . 55 TYR H . 11318 1 548 . 1 1 55 55 TYR HA H 1 5.296 0.030 . 1 . . . . 55 TYR HA . 11318 1 549 . 1 1 55 55 TYR HB2 H 1 2.419 0.030 . 2 . . . . 55 TYR HB2 . 11318 1 550 . 1 1 55 55 TYR HB3 H 1 3.007 0.030 . 2 . . . . 55 TYR HB3 . 11318 1 551 . 1 1 55 55 TYR HD1 H 1 6.933 0.030 . 1 . . . . 55 TYR HD1 . 11318 1 552 . 1 1 55 55 TYR HD2 H 1 6.933 0.030 . 1 . . . . 55 TYR HD2 . 11318 1 553 . 1 1 55 55 TYR HE1 H 1 6.872 0.030 . 1 . . . . 55 TYR HE1 . 11318 1 554 . 1 1 55 55 TYR HE2 H 1 6.872 0.030 . 1 . . . . 55 TYR HE2 . 11318 1 555 . 1 1 55 55 TYR C C 13 175.478 0.300 . 1 . . . . 55 TYR C . 11318 1 556 . 1 1 55 55 TYR CA C 13 59.221 0.300 . 1 . . . . 55 TYR CA . 11318 1 557 . 1 1 55 55 TYR CB C 13 40.491 0.300 . 1 . . . . 55 TYR CB . 11318 1 558 . 1 1 55 55 TYR CD1 C 13 133.042 0.300 . 1 . . . . 55 TYR CD1 . 11318 1 559 . 1 1 55 55 TYR CD2 C 13 133.042 0.300 . 1 . . . . 55 TYR CD2 . 11318 1 560 . 1 1 55 55 TYR CE1 C 13 118.490 0.300 . 1 . . . . 55 TYR CE1 . 11318 1 561 . 1 1 55 55 TYR CE2 C 13 118.490 0.300 . 1 . . . . 55 TYR CE2 . 11318 1 562 . 1 1 55 55 TYR N N 15 119.015 0.300 . 1 . . . . 55 TYR N . 11318 1 563 . 1 1 56 56 VAL H H 1 9.005 0.030 . 1 . . . . 56 VAL H . 11318 1 564 . 1 1 56 56 VAL HA H 1 4.739 0.030 . 1 . . . . 56 VAL HA . 11318 1 565 . 1 1 56 56 VAL HB H 1 1.721 0.030 . 1 . . . . 56 VAL HB . 11318 1 566 . 1 1 56 56 VAL HG11 H 1 1.158 0.030 . 1 . . . . 56 VAL HG1 . 11318 1 567 . 1 1 56 56 VAL HG12 H 1 1.158 0.030 . 1 . . . . 56 VAL HG1 . 11318 1 568 . 1 1 56 56 VAL HG13 H 1 1.158 0.030 . 1 . . . . 56 VAL HG1 . 11318 1 569 . 1 1 56 56 VAL HG21 H 1 0.699 0.030 . 1 . . . . 56 VAL HG2 . 11318 1 570 . 1 1 56 56 VAL HG22 H 1 0.699 0.030 . 1 . . . . 56 VAL HG2 . 11318 1 571 . 1 1 56 56 VAL HG23 H 1 0.699 0.030 . 1 . . . . 56 VAL HG2 . 11318 1 572 . 1 1 56 56 VAL C C 13 172.471 0.300 . 1 . . . . 56 VAL C . 11318 1 573 . 1 1 56 56 VAL CA C 13 58.190 0.300 . 1 . . . . 56 VAL CA . 11318 1 574 . 1 1 56 56 VAL CB C 13 33.456 0.300 . 1 . . . . 56 VAL CB . 11318 1 575 . 1 1 56 56 VAL CG1 C 13 22.225 0.300 . 2 . . . . 56 VAL CG1 . 11318 1 576 . 1 1 56 56 VAL CG2 C 13 18.464 0.300 . 2 . . . . 56 VAL CG2 . 11318 1 577 . 1 1 56 56 VAL N N 15 111.629 0.300 . 1 . . . . 56 VAL N . 11318 1 578 . 1 1 57 57 PRO HA H 1 3.802 0.030 . 1 . . . . 57 PRO HA . 11318 1 579 . 1 1 57 57 PRO HB2 H 1 1.006 0.030 . 2 . . . . 57 PRO HB2 . 11318 1 580 . 1 1 57 57 PRO HB3 H 1 1.417 0.030 . 2 . . . . 57 PRO HB3 . 11318 1 581 . 1 1 57 57 PRO HD2 H 1 1.869 0.030 . 2 . . . . 57 PRO HD2 . 11318 1 582 . 1 1 57 57 PRO HD3 H 1 1.913 0.030 . 2 . . . . 57 PRO HD3 . 11318 1 583 . 1 1 57 57 PRO HG2 H 1 0.425 0.030 . 2 . . . . 57 PRO HG2 . 11318 1 584 . 1 1 57 57 PRO HG3 H 1 0.510 0.030 . 2 . . . . 57 PRO HG3 . 11318 1 585 . 1 1 57 57 PRO C C 13 178.473 0.300 . 1 . . . . 57 PRO C . 11318 1 586 . 1 1 57 57 PRO CA C 13 62.130 0.300 . 1 . . . . 57 PRO CA . 11318 1 587 . 1 1 57 57 PRO CB C 13 30.621 0.300 . 1 . . . . 57 PRO CB . 11318 1 588 . 1 1 57 57 PRO CD C 13 49.634 0.300 . 1 . . . . 57 PRO CD . 11318 1 589 . 1 1 57 57 PRO CG C 13 28.142 0.300 . 1 . . . . 57 PRO CG . 11318 1 590 . 1 1 58 58 THR H H 1 8.462 0.030 . 1 . . . . 58 THR H . 11318 1 591 . 1 1 58 58 THR HA H 1 3.513 0.030 . 1 . . . . 58 THR HA . 11318 1 592 . 1 1 58 58 THR HB H 1 3.749 0.030 . 1 . . . . 58 THR HB . 11318 1 593 . 1 1 58 58 THR HG21 H 1 1.175 0.030 . 1 . . . . 58 THR HG2 . 11318 1 594 . 1 1 58 58 THR HG22 H 1 1.175 0.030 . 1 . . . . 58 THR HG2 . 11318 1 595 . 1 1 58 58 THR HG23 H 1 1.175 0.030 . 1 . . . . 58 THR HG2 . 11318 1 596 . 1 1 58 58 THR C C 13 176.466 0.300 . 1 . . . . 58 THR C . 11318 1 597 . 1 1 58 58 THR CA C 13 65.930 0.300 . 1 . . . . 58 THR CA . 11318 1 598 . 1 1 58 58 THR CB C 13 68.469 0.300 . 1 . . . . 58 THR CB . 11318 1 599 . 1 1 58 58 THR CG2 C 13 22.485 0.300 . 1 . . . . 58 THR CG2 . 11318 1 600 . 1 1 58 58 THR N N 15 125.496 0.300 . 1 . . . . 58 THR N . 11318 1 601 . 1 1 59 59 SER H H 1 8.462 0.030 . 1 . . . . 59 SER H . 11318 1 602 . 1 1 59 59 SER HA H 1 4.248 0.030 . 1 . . . . 59 SER HA . 11318 1 603 . 1 1 59 59 SER HB2 H 1 4.088 0.030 . 2 . . . . 59 SER HB2 . 11318 1 604 . 1 1 59 59 SER HB3 H 1 3.834 0.030 . 2 . . . . 59 SER HB3 . 11318 1 605 . 1 1 59 59 SER C C 13 175.000 0.300 . 1 . . . . 59 SER C . 11318 1 606 . 1 1 59 59 SER CA C 13 60.093 0.300 . 1 . . . . 59 SER CA . 11318 1 607 . 1 1 59 59 SER CB C 13 62.851 0.300 . 1 . . . . 59 SER CB . 11318 1 608 . 1 1 59 59 SER N N 15 112.986 0.300 . 1 . . . . 59 SER N . 11318 1 609 . 1 1 60 60 TYR H H 1 7.992 0.030 . 1 . . . . 60 TYR H . 11318 1 610 . 1 1 60 60 TYR HA H 1 4.737 0.030 . 1 . . . . 60 TYR HA . 11318 1 611 . 1 1 60 60 TYR HB2 H 1 3.136 0.030 . 2 . . . . 60 TYR HB2 . 11318 1 612 . 1 1 60 60 TYR HB3 H 1 3.437 0.030 . 2 . . . . 60 TYR HB3 . 11318 1 613 . 1 1 60 60 TYR HD1 H 1 7.099 0.030 . 1 . . . . 60 TYR HD1 . 11318 1 614 . 1 1 60 60 TYR HD2 H 1 7.099 0.030 . 1 . . . . 60 TYR HD2 . 11318 1 615 . 1 1 60 60 TYR HE1 H 1 6.959 0.030 . 1 . . . . 60 TYR HE1 . 11318 1 616 . 1 1 60 60 TYR HE2 H 1 6.959 0.030 . 1 . . . . 60 TYR HE2 . 11318 1 617 . 1 1 60 60 TYR C C 13 174.217 0.300 . 1 . . . . 60 TYR C . 11318 1 618 . 1 1 60 60 TYR CA C 13 56.567 0.300 . 1 . . . . 60 TYR CA . 11318 1 619 . 1 1 60 60 TYR CB C 13 36.975 0.300 . 1 . . . . 60 TYR CB . 11318 1 620 . 1 1 60 60 TYR CD1 C 13 131.668 0.300 . 1 . . . . 60 TYR CD1 . 11318 1 621 . 1 1 60 60 TYR CD2 C 13 131.668 0.300 . 1 . . . . 60 TYR CD2 . 11318 1 622 . 1 1 60 60 TYR CE1 C 13 118.342 0.300 . 1 . . . . 60 TYR CE1 . 11318 1 623 . 1 1 60 60 TYR CE2 C 13 118.342 0.300 . 1 . . . . 60 TYR CE2 . 11318 1 624 . 1 1 60 60 TYR N N 15 121.918 0.300 . 1 . . . . 60 TYR N . 11318 1 625 . 1 1 61 61 LEU H H 1 7.726 0.030 . 1 . . . . 61 LEU H . 11318 1 626 . 1 1 61 61 LEU HA H 1 5.186 0.030 . 1 . . . . 61 LEU HA . 11318 1 627 . 1 1 61 61 LEU HB2 H 1 0.966 0.030 . 2 . . . . 61 LEU HB2 . 11318 1 628 . 1 1 61 61 LEU HB3 H 1 1.997 0.030 . 2 . . . . 61 LEU HB3 . 11318 1 629 . 1 1 61 61 LEU HD11 H 1 0.708 0.030 . 1 . . . . 61 LEU HD1 . 11318 1 630 . 1 1 61 61 LEU HD12 H 1 0.708 0.030 . 1 . . . . 61 LEU HD1 . 11318 1 631 . 1 1 61 61 LEU HD13 H 1 0.708 0.030 . 1 . . . . 61 LEU HD1 . 11318 1 632 . 1 1 61 61 LEU HD21 H 1 0.672 0.030 . 1 . . . . 61 LEU HD2 . 11318 1 633 . 1 1 61 61 LEU HD22 H 1 0.672 0.030 . 1 . . . . 61 LEU HD2 . 11318 1 634 . 1 1 61 61 LEU HD23 H 1 0.672 0.030 . 1 . . . . 61 LEU HD2 . 11318 1 635 . 1 1 61 61 LEU HG H 1 1.624 0.030 . 1 . . . . 61 LEU HG . 11318 1 636 . 1 1 61 61 LEU C C 13 176.355 0.300 . 1 . . . . 61 LEU C . 11318 1 637 . 1 1 61 61 LEU CA C 13 53.574 0.300 . 1 . . . . 61 LEU CA . 11318 1 638 . 1 1 61 61 LEU CB C 13 46.554 0.300 . 1 . . . . 61 LEU CB . 11318 1 639 . 1 1 61 61 LEU CD1 C 13 25.815 0.300 . 2 . . . . 61 LEU CD1 . 11318 1 640 . 1 1 61 61 LEU CD2 C 13 23.488 0.300 . 2 . . . . 61 LEU CD2 . 11318 1 641 . 1 1 61 61 LEU CG C 13 25.649 0.300 . 1 . . . . 61 LEU CG . 11318 1 642 . 1 1 61 61 LEU N N 15 119.256 0.300 . 1 . . . . 61 LEU N . 11318 1 643 . 1 1 62 62 ARG H H 1 9.039 0.030 . 1 . . . . 62 ARG H . 11318 1 644 . 1 1 62 62 ARG HA H 1 4.678 0.030 . 1 . . . . 62 ARG HA . 11318 1 645 . 1 1 62 62 ARG HB2 H 1 1.552 0.030 . 2 . . . . 62 ARG HB2 . 11318 1 646 . 1 1 62 62 ARG HB3 H 1 1.741 0.030 . 2 . . . . 62 ARG HB3 . 11318 1 647 . 1 1 62 62 ARG HD2 H 1 3.134 0.030 . 1 . . . . 62 ARG HD2 . 11318 1 648 . 1 1 62 62 ARG HD3 H 1 3.134 0.030 . 1 . . . . 62 ARG HD3 . 11318 1 649 . 1 1 62 62 ARG HG2 H 1 1.380 0.030 . 2 . . . . 62 ARG HG2 . 11318 1 650 . 1 1 62 62 ARG HG3 H 1 1.547 0.030 . 2 . . . . 62 ARG HG3 . 11318 1 651 . 1 1 62 62 ARG C C 13 175.660 0.300 . 1 . . . . 62 ARG C . 11318 1 652 . 1 1 62 62 ARG CA C 13 54.833 0.300 . 1 . . . . 62 ARG CA . 11318 1 653 . 1 1 62 62 ARG CB C 13 31.942 0.300 . 1 . . . . 62 ARG CB . 11318 1 654 . 1 1 62 62 ARG CD C 13 43.551 0.300 . 1 . . . . 62 ARG CD . 11318 1 655 . 1 1 62 62 ARG CG C 13 27.499 0.300 . 1 . . . . 62 ARG CG . 11318 1 656 . 1 1 62 62 ARG N N 15 121.679 0.300 . 1 . . . . 62 ARG N . 11318 1 657 . 1 1 63 63 VAL H H 1 8.965 0.030 . 1 . . . . 63 VAL H . 11318 1 658 . 1 1 63 63 VAL HA H 1 4.257 0.030 . 1 . . . . 63 VAL HA . 11318 1 659 . 1 1 63 63 VAL HB H 1 2.043 0.030 . 1 . . . . 63 VAL HB . 11318 1 660 . 1 1 63 63 VAL HG11 H 1 0.992 0.030 . 1 . . . . 63 VAL HG1 . 11318 1 661 . 1 1 63 63 VAL HG12 H 1 0.992 0.030 . 1 . . . . 63 VAL HG1 . 11318 1 662 . 1 1 63 63 VAL HG13 H 1 0.992 0.030 . 1 . . . . 63 VAL HG1 . 11318 1 663 . 1 1 63 63 VAL HG21 H 1 0.937 0.030 . 1 . . . . 63 VAL HG2 . 11318 1 664 . 1 1 63 63 VAL HG22 H 1 0.937 0.030 . 1 . . . . 63 VAL HG2 . 11318 1 665 . 1 1 63 63 VAL HG23 H 1 0.937 0.030 . 1 . . . . 63 VAL HG2 . 11318 1 666 . 1 1 63 63 VAL C C 13 176.436 0.300 . 1 . . . . 63 VAL C . 11318 1 667 . 1 1 63 63 VAL CA C 13 63.352 0.300 . 1 . . . . 63 VAL CA . 11318 1 668 . 1 1 63 63 VAL CB C 13 32.514 0.300 . 1 . . . . 63 VAL CB . 11318 1 669 . 1 1 63 63 VAL CG1 C 13 21.332 0.300 . 2 . . . . 63 VAL CG1 . 11318 1 670 . 1 1 63 63 VAL CG2 C 13 21.222 0.300 . 2 . . . . 63 VAL CG2 . 11318 1 671 . 1 1 63 63 VAL N N 15 128.425 0.300 . 1 . . . . 63 VAL N . 11318 1 672 . 1 1 64 64 THR H H 1 8.489 0.030 . 1 . . . . 64 THR H . 11318 1 673 . 1 1 64 64 THR HA H 1 4.535 0.030 . 1 . . . . 64 THR HA . 11318 1 674 . 1 1 64 64 THR HB H 1 4.283 0.030 . 1 . . . . 64 THR HB . 11318 1 675 . 1 1 64 64 THR HG21 H 1 1.174 0.030 . 1 . . . . 64 THR HG2 . 11318 1 676 . 1 1 64 64 THR HG22 H 1 1.174 0.030 . 1 . . . . 64 THR HG2 . 11318 1 677 . 1 1 64 64 THR HG23 H 1 1.174 0.030 . 1 . . . . 64 THR HG2 . 11318 1 678 . 1 1 64 64 THR C C 13 174.388 0.300 . 1 . . . . 64 THR C . 11318 1 679 . 1 1 64 64 THR CA C 13 61.494 0.300 . 1 . . . . 64 THR CA . 11318 1 680 . 1 1 64 64 THR CB C 13 69.830 0.300 . 1 . . . . 64 THR CB . 11318 1 681 . 1 1 64 64 THR CG2 C 13 21.984 0.300 . 1 . . . . 64 THR CG2 . 11318 1 682 . 1 1 64 64 THR N N 15 120.939 0.300 . 1 . . . . 64 THR N . 11318 1 683 . 1 1 65 65 SER H H 1 8.389 0.030 . 1 . . . . 65 SER H . 11318 1 684 . 1 1 65 65 SER HA H 1 4.559 0.030 . 1 . . . . 65 SER HA . 11318 1 685 . 1 1 65 65 SER HB2 H 1 3.887 0.030 . 1 . . . . 65 SER HB2 . 11318 1 686 . 1 1 65 65 SER HB3 H 1 3.887 0.030 . 1 . . . . 65 SER HB3 . 11318 1 687 . 1 1 65 65 SER C C 13 174.376 0.300 . 1 . . . . 65 SER C . 11318 1 688 . 1 1 65 65 SER CA C 13 58.229 0.300 . 1 . . . . 65 SER CA . 11318 1 689 . 1 1 65 65 SER CB C 13 64.019 0.300 . 1 . . . . 65 SER CB . 11318 1 690 . 1 1 65 65 SER N N 15 117.108 0.300 . 1 . . . . 65 SER N . 11318 1 691 . 1 1 66 66 GLY H H 1 8.237 0.030 . 1 . . . . 66 GLY H . 11318 1 692 . 1 1 66 66 GLY HA2 H 1 3.993 0.030 . 1 . . . . 66 GLY HA2 . 11318 1 693 . 1 1 66 66 GLY HA3 H 1 3.993 0.030 . 1 . . . . 66 GLY HA3 . 11318 1 694 . 1 1 66 66 GLY C C 13 171.351 0.300 . 1 . . . . 66 GLY C . 11318 1 695 . 1 1 66 66 GLY CA C 13 44.511 0.300 . 1 . . . . 66 GLY CA . 11318 1 696 . 1 1 66 66 GLY N N 15 110.202 0.300 . 1 . . . . 66 GLY N . 11318 1 697 . 1 1 67 67 PRO HA H 1 4.419 0.030 . 1 . . . . 67 PRO HA . 11318 1 698 . 1 1 67 67 PRO HB2 H 1 2.262 0.030 . 1 . . . . 67 PRO HB2 . 11318 1 699 . 1 1 67 67 PRO HB3 H 1 2.262 0.030 . 1 . . . . 67 PRO HB3 . 11318 1 700 . 1 1 67 67 PRO HD2 H 1 3.545 0.030 . 2 . . . . 67 PRO HD2 . 11318 1 701 . 1 1 67 67 PRO HD3 H 1 3.436 0.030 . 2 . . . . 67 PRO HD3 . 11318 1 702 . 1 1 67 67 PRO HG2 H 1 1.978 0.030 . 1 . . . . 67 PRO HG2 . 11318 1 703 . 1 1 67 67 PRO HG3 H 1 1.978 0.030 . 1 . . . . 67 PRO HG3 . 11318 1 704 . 1 1 67 67 PRO CA C 13 63.097 0.300 . 1 . . . . 67 PRO CA . 11318 1 705 . 1 1 67 67 PRO CB C 13 32.211 0.300 . 1 . . . . 67 PRO CB . 11318 1 706 . 1 1 67 67 PRO CD C 13 49.617 0.300 . 1 . . . . 67 PRO CD . 11318 1 707 . 1 1 67 67 PRO CG C 13 26.990 0.300 . 1 . . . . 67 PRO CG . 11318 1 stop_ save_