data_11233 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11233 _Entry.Title ; Solution structure of the SH3 domain of human KIAA1783 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 X. Qin . . . 11233 2 C. Kurosaki . . . 11233 3 M. Yoshida . . . 11233 4 F. Hayashi . . . 11233 5 S. Yokoyama . . . 11233 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)' . 11233 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11233 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 11233 '15N chemical shifts' 74 11233 '1H chemical shifts' 514 11233 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 . . 2011-08-03 2010-07-23 original author . 11233 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DLP 'BMRB Entry Tracking System' 11233 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11233 _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 SH3 domain of human KIAA1783 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Qin . . . 11233 1 2 C. Kurosaki . . . 11233 1 3 M. Yoshida . . . 11233 1 4 F. Hayashi . . . 11233 1 5 S. Yokoyama . . . 11233 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11233 _Assembly.ID 1 _Assembly.Name 'KIAA1783 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11233 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 2dlp . . . . . . 11233 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11233 _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 ; GSSGSSGSGYVIALRSYITD NCSLLSFHRGDLIKLLPVAT LEPGWQFGSAGGRSGLFPAD IVQPAAAPDFSFSKEQRSGS GPSSG ; _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 85 _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 2DLP . "Solution Structure Of The Sh3 Domain Of Human Kiaa1783 Protein" . . . . . 100.00 85 100.00 100.00 3.02e-51 . . . . 11233 1 2 no DBJ BAB47412 . "KIAA1783 protein [Homo sapiens]" . . . . . 84.71 1560 100.00 100.00 4.77e-39 . . . . 11233 1 3 no DBJ BAG10147 . "KIAA1783 protein [synthetic construct]" . . . . . 84.71 3096 100.00 100.00 6.35e-39 . . . . 11233 1 4 no GB EAW89288 . "hCG1987119, isoform CRA_c [Homo sapiens]" . . . . . 84.71 1530 100.00 100.00 3.28e-39 . . . . 11233 1 5 no REF NP_001296171 . "myosin XVB [Homo sapiens]" . . . . . 84.71 3058 100.00 100.00 6.57e-39 . . . . 11233 1 6 no REF XP_001095714 . "PREDICTED: myosin-XV-like [Macaca mulatta]" . . . . . 84.71 2928 98.61 98.61 3.34e-38 . . . . 11233 1 7 no REF XP_002827884 . "PREDICTED: unconventional myosin-XVB-like, partial [Pongo abelii]" . . . . . 84.71 1269 100.00 100.00 2.30e-39 . . . . 11233 1 8 no REF XP_004041092 . "PREDICTED: unconventional myosin-XV-like [Gorilla gorilla gorilla]" . . . . . 84.71 3023 100.00 100.00 7.43e-39 . . . . 11233 1 9 no REF XP_009431703 . "PREDICTED: LOW QUALITY PROTEIN: unconventional myosin-XVB-like [Pan troglodytes]" . . . . . 84.71 1492 98.61 100.00 9.97e-39 . . . . 11233 1 10 no SP Q96JP2 . "RecName: Full=Unconventional myosin-XVB; AltName: Full=Myosin XVBP; AltName: Full=Unconventional myosin-15B" . . . . . 84.71 1530 100.00 100.00 3.61e-39 . . . . 11233 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11233 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 . 11233 1 2 . SER . 11233 1 3 . SER . 11233 1 4 . GLY . 11233 1 5 . SER . 11233 1 6 . SER . 11233 1 7 . GLY . 11233 1 8 . SER . 11233 1 9 . GLY . 11233 1 10 . TYR . 11233 1 11 . VAL . 11233 1 12 . ILE . 11233 1 13 . ALA . 11233 1 14 . LEU . 11233 1 15 . ARG . 11233 1 16 . SER . 11233 1 17 . TYR . 11233 1 18 . ILE . 11233 1 19 . THR . 11233 1 20 . ASP . 11233 1 21 . ASN . 11233 1 22 . CYS . 11233 1 23 . SER . 11233 1 24 . LEU . 11233 1 25 . LEU . 11233 1 26 . SER . 11233 1 27 . PHE . 11233 1 28 . HIS . 11233 1 29 . ARG . 11233 1 30 . GLY . 11233 1 31 . ASP . 11233 1 32 . LEU . 11233 1 33 . ILE . 11233 1 34 . LYS . 11233 1 35 . LEU . 11233 1 36 . LEU . 11233 1 37 . PRO . 11233 1 38 . VAL . 11233 1 39 . ALA . 11233 1 40 . THR . 11233 1 41 . LEU . 11233 1 42 . GLU . 11233 1 43 . PRO . 11233 1 44 . GLY . 11233 1 45 . TRP . 11233 1 46 . GLN . 11233 1 47 . PHE . 11233 1 48 . GLY . 11233 1 49 . SER . 11233 1 50 . ALA . 11233 1 51 . GLY . 11233 1 52 . GLY . 11233 1 53 . ARG . 11233 1 54 . SER . 11233 1 55 . GLY . 11233 1 56 . LEU . 11233 1 57 . PHE . 11233 1 58 . PRO . 11233 1 59 . ALA . 11233 1 60 . ASP . 11233 1 61 . ILE . 11233 1 62 . VAL . 11233 1 63 . GLN . 11233 1 64 . PRO . 11233 1 65 . ALA . 11233 1 66 . ALA . 11233 1 67 . ALA . 11233 1 68 . PRO . 11233 1 69 . ASP . 11233 1 70 . PHE . 11233 1 71 . SER . 11233 1 72 . PHE . 11233 1 73 . SER . 11233 1 74 . LYS . 11233 1 75 . GLU . 11233 1 76 . GLN . 11233 1 77 . ARG . 11233 1 78 . SER . 11233 1 79 . GLY . 11233 1 80 . SER . 11233 1 81 . GLY . 11233 1 82 . PRO . 11233 1 83 . SER . 11233 1 84 . SER . 11233 1 85 . GLY . 11233 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 11233 1 . SER 2 2 11233 1 . SER 3 3 11233 1 . GLY 4 4 11233 1 . SER 5 5 11233 1 . SER 6 6 11233 1 . GLY 7 7 11233 1 . SER 8 8 11233 1 . GLY 9 9 11233 1 . TYR 10 10 11233 1 . VAL 11 11 11233 1 . ILE 12 12 11233 1 . ALA 13 13 11233 1 . LEU 14 14 11233 1 . ARG 15 15 11233 1 . SER 16 16 11233 1 . TYR 17 17 11233 1 . ILE 18 18 11233 1 . THR 19 19 11233 1 . ASP 20 20 11233 1 . ASN 21 21 11233 1 . CYS 22 22 11233 1 . SER 23 23 11233 1 . LEU 24 24 11233 1 . LEU 25 25 11233 1 . SER 26 26 11233 1 . PHE 27 27 11233 1 . HIS 28 28 11233 1 . ARG 29 29 11233 1 . GLY 30 30 11233 1 . ASP 31 31 11233 1 . LEU 32 32 11233 1 . ILE 33 33 11233 1 . LYS 34 34 11233 1 . LEU 35 35 11233 1 . LEU 36 36 11233 1 . PRO 37 37 11233 1 . VAL 38 38 11233 1 . ALA 39 39 11233 1 . THR 40 40 11233 1 . LEU 41 41 11233 1 . GLU 42 42 11233 1 . PRO 43 43 11233 1 . GLY 44 44 11233 1 . TRP 45 45 11233 1 . GLN 46 46 11233 1 . PHE 47 47 11233 1 . GLY 48 48 11233 1 . SER 49 49 11233 1 . ALA 50 50 11233 1 . GLY 51 51 11233 1 . GLY 52 52 11233 1 . ARG 53 53 11233 1 . SER 54 54 11233 1 . GLY 55 55 11233 1 . LEU 56 56 11233 1 . PHE 57 57 11233 1 . PRO 58 58 11233 1 . ALA 59 59 11233 1 . ASP 60 60 11233 1 . ILE 61 61 11233 1 . VAL 62 62 11233 1 . GLN 63 63 11233 1 . PRO 64 64 11233 1 . ALA 65 65 11233 1 . ALA 66 66 11233 1 . ALA 67 67 11233 1 . PRO 68 68 11233 1 . ASP 69 69 11233 1 . PHE 70 70 11233 1 . SER 71 71 11233 1 . PHE 72 72 11233 1 . SER 73 73 11233 1 . LYS 74 74 11233 1 . GLU 75 75 11233 1 . GLN 76 76 11233 1 . ARG 77 77 11233 1 . SER 78 78 11233 1 . GLY 79 79 11233 1 . SER 80 80 11233 1 . GLY 81 81 11233 1 . PRO 82 82 11233 1 . SER 83 83 11233 1 . SER 84 84 11233 1 . GLY 85 85 11233 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 11233 _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 . . . . . . . . . . . . . . . . . . . . . 11233 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 11233 _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 . . P051101-05 . . . . . . 11233 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11233 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.15mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 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 1.15 . . mM . . . . 11233 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11233 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11233 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11233 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11233 1 6 H2O . . . . . . solvent 90 . . % . . . . 11233 1 7 D2O . . . . . . solvent 10 . . % . . . . 11233 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 11233 _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 11233 1 pH 7.0 0.05 pH 11233 1 pressure 1 0.001 atm 11233 1 temperature 298 0.1 K 11233 1 stop_ save_ ############################ # Computer software used # ############################ save_Delta _Software.Sf_category software _Software.Sf_framecode Delta _Software.Entry_ID 11233 _Software.ID 1 _Software.Name Delta _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JEOL . . 11233 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11233 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11233 _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.' . . 11233 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11233 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11233 _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' . . 11233 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11233 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11233 _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.' . . 11233 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11233 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11233 _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.' . . 11233 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11233 5 'structure solution' 11233 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 11233 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer JEOL _NMR_spectrometer.Model ECA _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 11233 _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 JEOL ECA . 700 . . . 11233 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 11233 _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 . . . . . . . . . . . . . . . . 11233 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11233 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 11233 _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 . . . . . . . . . 11233 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11233 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11233 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 11233 _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 11233 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11233 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 $Delta . . 11233 1 2 $NMRPipe . . 11233 1 3 $NMRView . . 11233 1 4 $Kujira . . 11233 1 5 $CYANA . . 11233 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 8 8 SER HA H 1 4.416 0.030 . 1 . . . . 8 SER HA . 11233 1 2 . 1 1 8 8 SER HB2 H 1 3.984 0.030 . 2 . . . . 8 SER HB2 . 11233 1 3 . 1 1 8 8 SER HB3 H 1 3.898 0.030 . 2 . . . . 8 SER HB3 . 11233 1 4 . 1 1 8 8 SER C C 13 172.719 0.300 . 1 . . . . 8 SER C . 11233 1 5 . 1 1 8 8 SER CA C 13 56.107 0.300 . 1 . . . . 8 SER CA . 11233 1 6 . 1 1 8 8 SER CB C 13 62.174 0.300 . 1 . . . . 8 SER CB . 11233 1 7 . 1 1 9 9 GLY H H 1 8.482 0.030 . 1 . . . . 9 GLY H . 11233 1 8 . 1 1 9 9 GLY HA2 H 1 3.732 0.030 . 2 . . . . 9 GLY HA2 . 11233 1 9 . 1 1 9 9 GLY HA3 H 1 4.141 0.030 . 2 . . . . 9 GLY HA3 . 11233 1 10 . 1 1 9 9 GLY C C 13 170.031 0.300 . 1 . . . . 9 GLY C . 11233 1 11 . 1 1 9 9 GLY CA C 13 42.754 0.300 . 1 . . . . 9 GLY CA . 11233 1 12 . 1 1 9 9 GLY N N 15 109.995 0.300 . 1 . . . . 9 GLY N . 11233 1 13 . 1 1 10 10 TYR H H 1 8.460 0.030 . 1 . . . . 10 TYR H . 11233 1 14 . 1 1 10 10 TYR HA H 1 5.362 0.030 . 1 . . . . 10 TYR HA . 11233 1 15 . 1 1 10 10 TYR HB2 H 1 2.592 0.030 . 2 . . . . 10 TYR HB2 . 11233 1 16 . 1 1 10 10 TYR HB3 H 1 2.545 0.030 . 2 . . . . 10 TYR HB3 . 11233 1 17 . 1 1 10 10 TYR HD1 H 1 6.863 0.030 . 1 . . . . 10 TYR HD1 . 11233 1 18 . 1 1 10 10 TYR HD2 H 1 6.863 0.030 . 1 . . . . 10 TYR HD2 . 11233 1 19 . 1 1 10 10 TYR HE1 H 1 6.771 0.030 . 1 . . . . 10 TYR HE1 . 11233 1 20 . 1 1 10 10 TYR HE2 H 1 6.771 0.030 . 1 . . . . 10 TYR HE2 . 11233 1 21 . 1 1 10 10 TYR C C 13 173.502 0.300 . 1 . . . . 10 TYR C . 11233 1 22 . 1 1 10 10 TYR CA C 13 54.575 0.300 . 1 . . . . 10 TYR CA . 11233 1 23 . 1 1 10 10 TYR CB C 13 39.959 0.300 . 1 . . . . 10 TYR CB . 11233 1 24 . 1 1 10 10 TYR CD1 C 13 130.635 0.300 . 1 . . . . 10 TYR CD1 . 11233 1 25 . 1 1 10 10 TYR CD2 C 13 130.635 0.300 . 1 . . . . 10 TYR CD2 . 11233 1 26 . 1 1 10 10 TYR CE1 C 13 115.315 0.300 . 1 . . . . 10 TYR CE1 . 11233 1 27 . 1 1 10 10 TYR CE2 C 13 115.315 0.300 . 1 . . . . 10 TYR CE2 . 11233 1 28 . 1 1 10 10 TYR N N 15 118.517 0.300 . 1 . . . . 10 TYR N . 11233 1 29 . 1 1 11 11 VAL H H 1 9.137 0.030 . 1 . . . . 11 VAL H . 11233 1 30 . 1 1 11 11 VAL HA H 1 4.886 0.030 . 1 . . . . 11 VAL HA . 11233 1 31 . 1 1 11 11 VAL HB H 1 1.849 0.030 . 1 . . . . 11 VAL HB . 11233 1 32 . 1 1 11 11 VAL HG11 H 1 0.697 0.030 . 1 . . . . 11 VAL HG1 . 11233 1 33 . 1 1 11 11 VAL HG12 H 1 0.697 0.030 . 1 . . . . 11 VAL HG1 . 11233 1 34 . 1 1 11 11 VAL HG13 H 1 0.697 0.030 . 1 . . . . 11 VAL HG1 . 11233 1 35 . 1 1 11 11 VAL HG21 H 1 0.497 0.030 . 1 . . . . 11 VAL HG2 . 11233 1 36 . 1 1 11 11 VAL HG22 H 1 0.497 0.030 . 1 . . . . 11 VAL HG2 . 11233 1 37 . 1 1 11 11 VAL HG23 H 1 0.497 0.030 . 1 . . . . 11 VAL HG2 . 11233 1 38 . 1 1 11 11 VAL C C 13 170.103 0.300 . 1 . . . . 11 VAL C . 11233 1 39 . 1 1 11 11 VAL CA C 13 55.986 0.300 . 1 . . . . 11 VAL CA . 11233 1 40 . 1 1 11 11 VAL CB C 13 33.474 0.300 . 1 . . . . 11 VAL CB . 11233 1 41 . 1 1 11 11 VAL CG1 C 13 19.591 0.300 . 2 . . . . 11 VAL CG1 . 11233 1 42 . 1 1 11 11 VAL CG2 C 13 16.771 0.300 . 2 . . . . 11 VAL CG2 . 11233 1 43 . 1 1 11 11 VAL N N 15 114.177 0.300 . 1 . . . . 11 VAL N . 11233 1 44 . 1 1 12 12 ILE H H 1 9.149 0.030 . 1 . . . . 12 ILE H . 11233 1 45 . 1 1 12 12 ILE HA H 1 5.002 0.030 . 1 . . . . 12 ILE HA . 11233 1 46 . 1 1 12 12 ILE HB H 1 1.286 0.030 . 1 . . . . 12 ILE HB . 11233 1 47 . 1 1 12 12 ILE HD11 H 1 0.702 0.030 . 1 . . . . 12 ILE HD1 . 11233 1 48 . 1 1 12 12 ILE HD12 H 1 0.702 0.030 . 1 . . . . 12 ILE HD1 . 11233 1 49 . 1 1 12 12 ILE HD13 H 1 0.702 0.030 . 1 . . . . 12 ILE HD1 . 11233 1 50 . 1 1 12 12 ILE HG12 H 1 1.220 0.030 . 2 . . . . 12 ILE HG12 . 11233 1 51 . 1 1 12 12 ILE HG13 H 1 0.765 0.030 . 2 . . . . 12 ILE HG13 . 11233 1 52 . 1 1 12 12 ILE HG21 H 1 0.700 0.030 . 1 . . . . 12 ILE HG2 . 11233 1 53 . 1 1 12 12 ILE HG22 H 1 0.700 0.030 . 1 . . . . 12 ILE HG2 . 11233 1 54 . 1 1 12 12 ILE HG23 H 1 0.700 0.030 . 1 . . . . 12 ILE HG2 . 11233 1 55 . 1 1 12 12 ILE C C 13 172.236 0.300 . 1 . . . . 12 ILE C . 11233 1 56 . 1 1 12 12 ILE CA C 13 55.186 0.300 . 1 . . . . 12 ILE CA . 11233 1 57 . 1 1 12 12 ILE CB C 13 39.317 0.300 . 1 . . . . 12 ILE CB . 11233 1 58 . 1 1 12 12 ILE CD1 C 13 11.338 0.300 . 1 . . . . 12 ILE CD1 . 11233 1 59 . 1 1 12 12 ILE CG1 C 13 26.074 0.300 . 1 . . . . 12 ILE CG1 . 11233 1 60 . 1 1 12 12 ILE CG2 C 13 13.606 0.300 . 1 . . . . 12 ILE CG2 . 11233 1 61 . 1 1 12 12 ILE N N 15 119.103 0.300 . 1 . . . . 12 ILE N . 11233 1 62 . 1 1 13 13 ALA H H 1 8.062 0.030 . 1 . . . . 13 ALA H . 11233 1 63 . 1 1 13 13 ALA HA H 1 4.192 0.030 . 1 . . . . 13 ALA HA . 11233 1 64 . 1 1 13 13 ALA HB1 H 1 1.306 0.030 . 1 . . . . 13 ALA HB . 11233 1 65 . 1 1 13 13 ALA HB2 H 1 1.306 0.030 . 1 . . . . 13 ALA HB . 11233 1 66 . 1 1 13 13 ALA HB3 H 1 1.306 0.030 . 1 . . . . 13 ALA HB . 11233 1 67 . 1 1 13 13 ALA C C 13 176.860 0.300 . 1 . . . . 13 ALA C . 11233 1 68 . 1 1 13 13 ALA CA C 13 49.901 0.300 . 1 . . . . 13 ALA CA . 11233 1 69 . 1 1 13 13 ALA CB C 13 18.335 0.300 . 1 . . . . 13 ALA CB . 11233 1 70 . 1 1 13 13 ALA N N 15 126.490 0.300 . 1 . . . . 13 ALA N . 11233 1 71 . 1 1 14 14 LEU H H 1 9.544 0.030 . 1 . . . . 14 LEU H . 11233 1 72 . 1 1 14 14 LEU HA H 1 4.165 0.030 . 1 . . . . 14 LEU HA . 11233 1 73 . 1 1 14 14 LEU HB2 H 1 1.468 0.030 . 1 . . . . 14 LEU HB2 . 11233 1 74 . 1 1 14 14 LEU HB3 H 1 1.468 0.030 . 1 . . . . 14 LEU HB3 . 11233 1 75 . 1 1 14 14 LEU HD11 H 1 0.667 0.030 . 1 . . . . 14 LEU HD1 . 11233 1 76 . 1 1 14 14 LEU HD12 H 1 0.667 0.030 . 1 . . . . 14 LEU HD1 . 11233 1 77 . 1 1 14 14 LEU HD13 H 1 0.667 0.030 . 1 . . . . 14 LEU HD1 . 11233 1 78 . 1 1 14 14 LEU HD21 H 1 0.665 0.030 . 1 . . . . 14 LEU HD2 . 11233 1 79 . 1 1 14 14 LEU HD22 H 1 0.665 0.030 . 1 . . . . 14 LEU HD2 . 11233 1 80 . 1 1 14 14 LEU HD23 H 1 0.665 0.030 . 1 . . . . 14 LEU HD2 . 11233 1 81 . 1 1 14 14 LEU HG H 1 1.346 0.030 . 1 . . . . 14 LEU HG . 11233 1 82 . 1 1 14 14 LEU C C 13 173.904 0.300 . 1 . . . . 14 LEU C . 11233 1 83 . 1 1 14 14 LEU CA C 13 53.047 0.300 . 1 . . . . 14 LEU CA . 11233 1 84 . 1 1 14 14 LEU CB C 13 40.218 0.300 . 1 . . . . 14 LEU CB . 11233 1 85 . 1 1 14 14 LEU CD1 C 13 22.633 0.300 . 2 . . . . 14 LEU CD1 . 11233 1 86 . 1 1 14 14 LEU CD2 C 13 19.434 0.300 . 2 . . . . 14 LEU CD2 . 11233 1 87 . 1 1 14 14 LEU CG C 13 24.511 0.300 . 1 . . . . 14 LEU CG . 11233 1 88 . 1 1 14 14 LEU N N 15 126.384 0.300 . 1 . . . . 14 LEU N . 11233 1 89 . 1 1 15 15 ARG H H 1 7.493 0.030 . 1 . . . . 15 ARG H . 11233 1 90 . 1 1 15 15 ARG HA H 1 4.482 0.030 . 1 . . . . 15 ARG HA . 11233 1 91 . 1 1 15 15 ARG HB2 H 1 1.641 0.030 . 2 . . . . 15 ARG HB2 . 11233 1 92 . 1 1 15 15 ARG HB3 H 1 1.991 0.030 . 2 . . . . 15 ARG HB3 . 11233 1 93 . 1 1 15 15 ARG HD2 H 1 3.140 0.030 . 2 . . . . 15 ARG HD2 . 11233 1 94 . 1 1 15 15 ARG HD3 H 1 3.213 0.030 . 2 . . . . 15 ARG HD3 . 11233 1 95 . 1 1 15 15 ARG HG2 H 1 1.489 0.030 . 2 . . . . 15 ARG HG2 . 11233 1 96 . 1 1 15 15 ARG HG3 H 1 1.611 0.030 . 2 . . . . 15 ARG HG3 . 11233 1 97 . 1 1 15 15 ARG C C 13 171.013 0.300 . 1 . . . . 15 ARG C . 11233 1 98 . 1 1 15 15 ARG CA C 13 51.070 0.300 . 1 . . . . 15 ARG CA . 11233 1 99 . 1 1 15 15 ARG CB C 13 31.559 0.300 . 1 . . . . 15 ARG CB . 11233 1 100 . 1 1 15 15 ARG CD C 13 40.979 0.300 . 1 . . . . 15 ARG CD . 11233 1 101 . 1 1 15 15 ARG CG C 13 23.899 0.300 . 1 . . . . 15 ARG CG . 11233 1 102 . 1 1 15 15 ARG N N 15 113.681 0.300 . 1 . . . . 15 ARG N . 11233 1 103 . 1 1 16 16 SER H H 1 8.569 0.030 . 1 . . . . 16 SER H . 11233 1 104 . 1 1 16 16 SER HA H 1 4.408 0.030 . 1 . . . . 16 SER HA . 11233 1 105 . 1 1 16 16 SER HB2 H 1 3.831 0.030 . 1 . . . . 16 SER HB2 . 11233 1 106 . 1 1 16 16 SER HB3 H 1 3.831 0.030 . 1 . . . . 16 SER HB3 . 11233 1 107 . 1 1 16 16 SER C C 13 169.724 0.300 . 1 . . . . 16 SER C . 11233 1 108 . 1 1 16 16 SER CA C 13 56.107 0.300 . 1 . . . . 16 SER CA . 11233 1 109 . 1 1 16 16 SER CB C 13 60.760 0.300 . 1 . . . . 16 SER CB . 11233 1 110 . 1 1 16 16 SER N N 15 114.770 0.300 . 1 . . . . 16 SER N . 11233 1 111 . 1 1 17 17 TYR H H 1 8.452 0.030 . 1 . . . . 17 TYR H . 11233 1 112 . 1 1 17 17 TYR HA H 1 4.280 0.030 . 1 . . . . 17 TYR HA . 11233 1 113 . 1 1 17 17 TYR HB2 H 1 1.472 0.030 . 2 . . . . 17 TYR HB2 . 11233 1 114 . 1 1 17 17 TYR HB3 H 1 1.962 0.030 . 2 . . . . 17 TYR HB3 . 11233 1 115 . 1 1 17 17 TYR HD1 H 1 6.916 0.030 . 1 . . . . 17 TYR HD1 . 11233 1 116 . 1 1 17 17 TYR HD2 H 1 6.916 0.030 . 1 . . . . 17 TYR HD2 . 11233 1 117 . 1 1 17 17 TYR HE1 H 1 6.820 0.030 . 1 . . . . 17 TYR HE1 . 11233 1 118 . 1 1 17 17 TYR HE2 H 1 6.820 0.030 . 1 . . . . 17 TYR HE2 . 11233 1 119 . 1 1 17 17 TYR C C 13 169.156 0.300 . 1 . . . . 17 TYR C . 11233 1 120 . 1 1 17 17 TYR CA C 13 54.860 0.300 . 1 . . . . 17 TYR CA . 11233 1 121 . 1 1 17 17 TYR CB C 13 37.632 0.300 . 1 . . . . 17 TYR CB . 11233 1 122 . 1 1 17 17 TYR CD1 C 13 131.309 0.300 . 1 . . . . 17 TYR CD1 . 11233 1 123 . 1 1 17 17 TYR CD2 C 13 131.309 0.300 . 1 . . . . 17 TYR CD2 . 11233 1 124 . 1 1 17 17 TYR CE1 C 13 115.418 0.300 . 1 . . . . 17 TYR CE1 . 11233 1 125 . 1 1 17 17 TYR CE2 C 13 115.418 0.300 . 1 . . . . 17 TYR CE2 . 11233 1 126 . 1 1 17 17 TYR N N 15 128.239 0.300 . 1 . . . . 17 TYR N . 11233 1 127 . 1 1 18 18 ILE H H 1 7.875 0.030 . 1 . . . . 18 ILE H . 11233 1 128 . 1 1 18 18 ILE HA H 1 4.037 0.030 . 1 . . . . 18 ILE HA . 11233 1 129 . 1 1 18 18 ILE HB H 1 1.574 0.030 . 1 . . . . 18 ILE HB . 11233 1 130 . 1 1 18 18 ILE HD11 H 1 0.342 0.030 . 1 . . . . 18 ILE HD1 . 11233 1 131 . 1 1 18 18 ILE HD12 H 1 0.342 0.030 . 1 . . . . 18 ILE HD1 . 11233 1 132 . 1 1 18 18 ILE HD13 H 1 0.342 0.030 . 1 . . . . 18 ILE HD1 . 11233 1 133 . 1 1 18 18 ILE HG12 H 1 1.132 0.030 . 2 . . . . 18 ILE HG12 . 11233 1 134 . 1 1 18 18 ILE HG13 H 1 0.852 0.030 . 2 . . . . 18 ILE HG13 . 11233 1 135 . 1 1 18 18 ILE HG21 H 1 0.586 0.030 . 1 . . . . 18 ILE HG2 . 11233 1 136 . 1 1 18 18 ILE HG22 H 1 0.586 0.030 . 1 . . . . 18 ILE HG2 . 11233 1 137 . 1 1 18 18 ILE HG23 H 1 0.586 0.030 . 1 . . . . 18 ILE HG2 . 11233 1 138 . 1 1 18 18 ILE C C 13 173.025 0.300 . 1 . . . . 18 ILE C . 11233 1 139 . 1 1 18 18 ILE CA C 13 56.800 0.300 . 1 . . . . 18 ILE CA . 11233 1 140 . 1 1 18 18 ILE CB C 13 34.981 0.300 . 1 . . . . 18 ILE CB . 11233 1 141 . 1 1 18 18 ILE CD1 C 13 8.525 0.300 . 1 . . . . 18 ILE CD1 . 11233 1 142 . 1 1 18 18 ILE CG1 C 13 23.867 0.300 . 1 . . . . 18 ILE CG1 . 11233 1 143 . 1 1 18 18 ILE CG2 C 13 14.455 0.300 . 1 . . . . 18 ILE CG2 . 11233 1 144 . 1 1 18 18 ILE N N 15 125.747 0.300 . 1 . . . . 18 ILE N . 11233 1 145 . 1 1 19 19 THR H H 1 7.721 0.030 . 1 . . . . 19 THR H . 11233 1 146 . 1 1 19 19 THR HA H 1 4.377 0.030 . 1 . . . . 19 THR HA . 11233 1 147 . 1 1 19 19 THR HB H 1 3.878 0.030 . 1 . . . . 19 THR HB . 11233 1 148 . 1 1 19 19 THR HG21 H 1 0.527 0.030 . 1 . . . . 19 THR HG2 . 11233 1 149 . 1 1 19 19 THR HG22 H 1 0.527 0.030 . 1 . . . . 19 THR HG2 . 11233 1 150 . 1 1 19 19 THR HG23 H 1 0.527 0.030 . 1 . . . . 19 THR HG2 . 11233 1 151 . 1 1 19 19 THR C C 13 170.192 0.300 . 1 . . . . 19 THR C . 11233 1 152 . 1 1 19 19 THR CA C 13 56.783 0.300 . 1 . . . . 19 THR CA . 11233 1 153 . 1 1 19 19 THR CB C 13 68.547 0.300 . 1 . . . . 19 THR CB . 11233 1 154 . 1 1 19 19 THR CG2 C 13 17.452 0.300 . 1 . . . . 19 THR CG2 . 11233 1 155 . 1 1 19 19 THR N N 15 119.501 0.300 . 1 . . . . 19 THR N . 11233 1 156 . 1 1 20 20 ASP H H 1 8.215 0.030 . 1 . . . . 20 ASP H . 11233 1 157 . 1 1 20 20 ASP HA H 1 4.606 0.030 . 1 . . . . 20 ASP HA . 11233 1 158 . 1 1 20 20 ASP HB2 H 1 2.542 0.030 . 1 . . . . 20 ASP HB2 . 11233 1 159 . 1 1 20 20 ASP HB3 H 1 2.542 0.030 . 1 . . . . 20 ASP HB3 . 11233 1 160 . 1 1 20 20 ASP C C 13 172.698 0.300 . 1 . . . . 20 ASP C . 11233 1 161 . 1 1 20 20 ASP CA C 13 50.543 0.300 . 1 . . . . 20 ASP CA . 11233 1 162 . 1 1 20 20 ASP CB C 13 38.018 0.300 . 1 . . . . 20 ASP CB . 11233 1 163 . 1 1 20 20 ASP N N 15 121.500 0.300 . 1 . . . . 20 ASP N . 11233 1 164 . 1 1 21 21 ASN H H 1 8.071 0.030 . 1 . . . . 21 ASN H . 11233 1 165 . 1 1 21 21 ASN HA H 1 4.599 0.030 . 1 . . . . 21 ASN HA . 11233 1 166 . 1 1 21 21 ASN HB2 H 1 2.706 0.030 . 1 . . . . 21 ASN HB2 . 11233 1 167 . 1 1 21 21 ASN HB3 H 1 2.706 0.030 . 1 . . . . 21 ASN HB3 . 11233 1 168 . 1 1 21 21 ASN HD21 H 1 7.707 0.030 . 2 . . . . 21 ASN HD21 . 11233 1 169 . 1 1 21 21 ASN HD22 H 1 6.969 0.030 . 2 . . . . 21 ASN HD22 . 11233 1 170 . 1 1 21 21 ASN C C 13 174.273 0.300 . 1 . . . . 21 ASN C . 11233 1 171 . 1 1 21 21 ASN CA C 13 50.537 0.300 . 1 . . . . 21 ASN CA . 11233 1 172 . 1 1 21 21 ASN CB C 13 37.247 0.300 . 1 . . . . 21 ASN CB . 11233 1 173 . 1 1 21 21 ASN N N 15 120.341 0.300 . 1 . . . . 21 ASN N . 11233 1 174 . 1 1 21 21 ASN ND2 N 15 113.235 0.300 . 1 . . . . 21 ASN ND2 . 11233 1 175 . 1 1 22 22 CYS HA H 1 4.323 0.030 . 1 . . . . 22 CYS HA . 11233 1 176 . 1 1 22 22 CYS HB2 H 1 3.026 0.030 . 2 . . . . 22 CYS HB2 . 11233 1 177 . 1 1 22 22 CYS HB3 H 1 2.998 0.030 . 2 . . . . 22 CYS HB3 . 11233 1 178 . 1 1 22 22 CYS C C 13 172.691 0.300 . 1 . . . . 22 CYS C . 11233 1 179 . 1 1 22 22 CYS CA C 13 58.325 0.300 . 1 . . . . 22 CYS CA . 11233 1 180 . 1 1 22 22 CYS CB C 13 24.649 0.300 . 1 . . . . 22 CYS CB . 11233 1 181 . 1 1 23 23 SER H H 1 8.564 0.030 . 1 . . . . 23 SER H . 11233 1 182 . 1 1 23 23 SER HA H 1 4.520 0.030 . 1 . . . . 23 SER HA . 11233 1 183 . 1 1 23 23 SER HB2 H 1 3.876 0.030 . 2 . . . . 23 SER HB2 . 11233 1 184 . 1 1 23 23 SER HB3 H 1 3.776 0.030 . 2 . . . . 23 SER HB3 . 11233 1 185 . 1 1 23 23 SER C C 13 171.390 0.300 . 1 . . . . 23 SER C . 11233 1 186 . 1 1 23 23 SER CA C 13 57.186 0.300 . 1 . . . . 23 SER CA . 11233 1 187 . 1 1 23 23 SER CB C 13 61.366 0.300 . 1 . . . . 23 SER CB . 11233 1 188 . 1 1 23 23 SER N N 15 116.136 0.300 . 1 . . . . 23 SER N . 11233 1 189 . 1 1 24 24 LEU H H 1 7.806 0.030 . 1 . . . . 24 LEU H . 11233 1 190 . 1 1 24 24 LEU HA H 1 5.211 0.030 . 1 . . . . 24 LEU HA . 11233 1 191 . 1 1 24 24 LEU HB2 H 1 1.848 0.030 . 1 . . . . 24 LEU HB2 . 11233 1 192 . 1 1 24 24 LEU HB3 H 1 1.848 0.030 . 1 . . . . 24 LEU HB3 . 11233 1 193 . 1 1 24 24 LEU HD11 H 1 1.062 0.030 . 1 . . . . 24 LEU HD1 . 11233 1 194 . 1 1 24 24 LEU HD12 H 1 1.062 0.030 . 1 . . . . 24 LEU HD1 . 11233 1 195 . 1 1 24 24 LEU HD13 H 1 1.062 0.030 . 1 . . . . 24 LEU HD1 . 11233 1 196 . 1 1 24 24 LEU HD21 H 1 0.806 0.030 . 1 . . . . 24 LEU HD2 . 11233 1 197 . 1 1 24 24 LEU HD22 H 1 0.806 0.030 . 1 . . . . 24 LEU HD2 . 11233 1 198 . 1 1 24 24 LEU HD23 H 1 0.806 0.030 . 1 . . . . 24 LEU HD2 . 11233 1 199 . 1 1 24 24 LEU HG H 1 1.458 0.030 . 1 . . . . 24 LEU HG . 11233 1 200 . 1 1 24 24 LEU C C 13 173.924 0.300 . 1 . . . . 24 LEU C . 11233 1 201 . 1 1 24 24 LEU CA C 13 50.735 0.300 . 1 . . . . 24 LEU CA . 11233 1 202 . 1 1 24 24 LEU CB C 13 40.346 0.300 . 1 . . . . 24 LEU CB . 11233 1 203 . 1 1 24 24 LEU CD1 C 13 22.327 0.300 . 2 . . . . 24 LEU CD1 . 11233 1 204 . 1 1 24 24 LEU CD2 C 13 20.670 0.300 . 2 . . . . 24 LEU CD2 . 11233 1 205 . 1 1 24 24 LEU CG C 13 24.744 0.300 . 1 . . . . 24 LEU CG . 11233 1 206 . 1 1 24 24 LEU N N 15 122.252 0.300 . 1 . . . . 24 LEU N . 11233 1 207 . 1 1 25 25 LEU H H 1 9.093 0.030 . 1 . . . . 25 LEU H . 11233 1 208 . 1 1 25 25 LEU HA H 1 4.154 0.030 . 1 . . . . 25 LEU HA . 11233 1 209 . 1 1 25 25 LEU HB2 H 1 1.763 0.030 . 2 . . . . 25 LEU HB2 . 11233 1 210 . 1 1 25 25 LEU HB3 H 1 1.080 0.030 . 2 . . . . 25 LEU HB3 . 11233 1 211 . 1 1 25 25 LEU HD11 H 1 0.856 0.030 . 1 . . . . 25 LEU HD1 . 11233 1 212 . 1 1 25 25 LEU HD12 H 1 0.856 0.030 . 1 . . . . 25 LEU HD1 . 11233 1 213 . 1 1 25 25 LEU HD13 H 1 0.856 0.030 . 1 . . . . 25 LEU HD1 . 11233 1 214 . 1 1 25 25 LEU HD21 H 1 0.603 0.030 . 1 . . . . 25 LEU HD2 . 11233 1 215 . 1 1 25 25 LEU HD22 H 1 0.603 0.030 . 1 . . . . 25 LEU HD2 . 11233 1 216 . 1 1 25 25 LEU HD23 H 1 0.603 0.030 . 1 . . . . 25 LEU HD2 . 11233 1 217 . 1 1 25 25 LEU HG H 1 1.637 0.030 . 1 . . . . 25 LEU HG . 11233 1 218 . 1 1 25 25 LEU C C 13 171.244 0.300 . 1 . . . . 25 LEU C . 11233 1 219 . 1 1 25 25 LEU CA C 13 51.433 0.300 . 1 . . . . 25 LEU CA . 11233 1 220 . 1 1 25 25 LEU CB C 13 41.731 0.300 . 1 . . . . 25 LEU CB . 11233 1 221 . 1 1 25 25 LEU CD1 C 13 21.309 0.300 . 2 . . . . 25 LEU CD1 . 11233 1 222 . 1 1 25 25 LEU CD2 C 13 23.164 0.300 . 2 . . . . 25 LEU CD2 . 11233 1 223 . 1 1 25 25 LEU CG C 13 24.481 0.300 . 1 . . . . 25 LEU CG . 11233 1 224 . 1 1 25 25 LEU N N 15 125.170 0.300 . 1 . . . . 25 LEU N . 11233 1 225 . 1 1 26 26 SER H H 1 7.046 0.030 . 1 . . . . 26 SER H . 11233 1 226 . 1 1 26 26 SER HA H 1 5.183 0.030 . 1 . . . . 26 SER HA . 11233 1 227 . 1 1 26 26 SER HB2 H 1 3.674 0.030 . 1 . . . . 26 SER HB2 . 11233 1 228 . 1 1 26 26 SER HB3 H 1 3.674 0.030 . 1 . . . . 26 SER HB3 . 11233 1 229 . 1 1 26 26 SER C C 13 171.921 0.300 . 1 . . . . 26 SER C . 11233 1 230 . 1 1 26 26 SER CA C 13 53.527 0.300 . 1 . . . . 26 SER CA . 11233 1 231 . 1 1 26 26 SER CB C 13 62.996 0.300 . 1 . . . . 26 SER CB . 11233 1 232 . 1 1 26 26 SER N N 15 114.607 0.300 . 1 . . . . 26 SER N . 11233 1 233 . 1 1 27 27 PHE H H 1 8.115 0.030 . 1 . . . . 27 PHE H . 11233 1 234 . 1 1 27 27 PHE HA H 1 4.534 0.030 . 1 . . . . 27 PHE HA . 11233 1 235 . 1 1 27 27 PHE HB2 H 1 3.018 0.030 . 2 . . . . 27 PHE HB2 . 11233 1 236 . 1 1 27 27 PHE HB3 H 1 3.179 0.030 . 2 . . . . 27 PHE HB3 . 11233 1 237 . 1 1 27 27 PHE HD1 H 1 6.461 0.030 . 1 . . . . 27 PHE HD1 . 11233 1 238 . 1 1 27 27 PHE HD2 H 1 6.461 0.030 . 1 . . . . 27 PHE HD2 . 11233 1 239 . 1 1 27 27 PHE HE1 H 1 6.764 0.030 . 1 . . . . 27 PHE HE1 . 11233 1 240 . 1 1 27 27 PHE HE2 H 1 6.764 0.030 . 1 . . . . 27 PHE HE2 . 11233 1 241 . 1 1 27 27 PHE HZ H 1 6.450 0.030 . 1 . . . . 27 PHE HZ . 11233 1 242 . 1 1 27 27 PHE C C 13 170.576 0.300 . 1 . . . . 27 PHE C . 11233 1 243 . 1 1 27 27 PHE CA C 13 53.349 0.300 . 1 . . . . 27 PHE CA . 11233 1 244 . 1 1 27 27 PHE CB C 13 36.574 0.300 . 1 . . . . 27 PHE CB . 11233 1 245 . 1 1 27 27 PHE CD1 C 13 129.632 0.300 . 1 . . . . 27 PHE CD1 . 11233 1 246 . 1 1 27 27 PHE CD2 C 13 129.632 0.300 . 1 . . . . 27 PHE CD2 . 11233 1 247 . 1 1 27 27 PHE CE1 C 13 128.665 0.300 . 1 . . . . 27 PHE CE1 . 11233 1 248 . 1 1 27 27 PHE CE2 C 13 128.665 0.300 . 1 . . . . 27 PHE CE2 . 11233 1 249 . 1 1 27 27 PHE CZ C 13 125.731 0.300 . 1 . . . . 27 PHE CZ . 11233 1 250 . 1 1 27 27 PHE N N 15 118.882 0.300 . 1 . . . . 27 PHE N . 11233 1 251 . 1 1 28 28 HIS H H 1 9.116 0.030 . 1 . . . . 28 HIS H . 11233 1 252 . 1 1 28 28 HIS HA H 1 4.802 0.030 . 1 . . . . 28 HIS HA . 11233 1 253 . 1 1 28 28 HIS HB2 H 1 3.050 0.030 . 2 . . . . 28 HIS HB2 . 11233 1 254 . 1 1 28 28 HIS HB3 H 1 2.862 0.030 . 2 . . . . 28 HIS HB3 . 11233 1 255 . 1 1 28 28 HIS HD2 H 1 7.035 0.030 . 1 . . . . 28 HIS HD2 . 11233 1 256 . 1 1 28 28 HIS HE1 H 1 7.838 0.030 . 1 . . . . 28 HIS HE1 . 11233 1 257 . 1 1 28 28 HIS C C 13 172.046 0.300 . 1 . . . . 28 HIS C . 11233 1 258 . 1 1 28 28 HIS CA C 13 51.977 0.300 . 1 . . . . 28 HIS CA . 11233 1 259 . 1 1 28 28 HIS CB C 13 29.836 0.300 . 1 . . . . 28 HIS CB . 11233 1 260 . 1 1 28 28 HIS CD2 C 13 117.369 0.300 . 1 . . . . 28 HIS CD2 . 11233 1 261 . 1 1 28 28 HIS CE1 C 13 134.974 0.300 . 1 . . . . 28 HIS CE1 . 11233 1 262 . 1 1 28 28 HIS N N 15 118.507 0.300 . 1 . . . . 28 HIS N . 11233 1 263 . 1 1 29 29 ARG H H 1 8.091 0.030 . 1 . . . . 29 ARG H . 11233 1 264 . 1 1 29 29 ARG HA H 1 3.200 0.030 . 1 . . . . 29 ARG HA . 11233 1 265 . 1 1 29 29 ARG HB2 H 1 1.610 0.030 . 2 . . . . 29 ARG HB2 . 11233 1 266 . 1 1 29 29 ARG HB3 H 1 1.526 0.030 . 2 . . . . 29 ARG HB3 . 11233 1 267 . 1 1 29 29 ARG HD2 H 1 3.085 0.030 . 2 . . . . 29 ARG HD2 . 11233 1 268 . 1 1 29 29 ARG HD3 H 1 3.160 0.030 . 2 . . . . 29 ARG HD3 . 11233 1 269 . 1 1 29 29 ARG HG2 H 1 1.298 0.030 . 1 . . . . 29 ARG HG2 . 11233 1 270 . 1 1 29 29 ARG HG3 H 1 1.298 0.030 . 1 . . . . 29 ARG HG3 . 11233 1 271 . 1 1 29 29 ARG C C 13 173.750 0.300 . 1 . . . . 29 ARG C . 11233 1 272 . 1 1 29 29 ARG CA C 13 55.889 0.300 . 1 . . . . 29 ARG CA . 11233 1 273 . 1 1 29 29 ARG CB C 13 27.478 0.300 . 1 . . . . 29 ARG CB . 11233 1 274 . 1 1 29 29 ARG CD C 13 40.939 0.300 . 1 . . . . 29 ARG CD . 11233 1 275 . 1 1 29 29 ARG CG C 13 24.118 0.300 . 1 . . . . 29 ARG CG . 11233 1 276 . 1 1 29 29 ARG N N 15 121.807 0.300 . 1 . . . . 29 ARG N . 11233 1 277 . 1 1 30 30 GLY H H 1 8.852 0.030 . 1 . . . . 30 GLY H . 11233 1 278 . 1 1 30 30 GLY HA2 H 1 3.389 0.030 . 2 . . . . 30 GLY HA2 . 11233 1 279 . 1 1 30 30 GLY HA3 H 1 4.315 0.030 . 2 . . . . 30 GLY HA3 . 11233 1 280 . 1 1 30 30 GLY C C 13 170.712 0.300 . 1 . . . . 30 GLY C . 11233 1 281 . 1 1 30 30 GLY CA C 13 42.239 0.300 . 1 . . . . 30 GLY CA . 11233 1 282 . 1 1 30 30 GLY N N 15 115.708 0.300 . 1 . . . . 30 GLY N . 11233 1 283 . 1 1 31 31 ASP H H 1 8.076 0.030 . 1 . . . . 31 ASP H . 11233 1 284 . 1 1 31 31 ASP HA H 1 4.429 0.030 . 1 . . . . 31 ASP HA . 11233 1 285 . 1 1 31 31 ASP HB2 H 1 2.358 0.030 . 2 . . . . 31 ASP HB2 . 11233 1 286 . 1 1 31 31 ASP HB3 H 1 2.723 0.030 . 2 . . . . 31 ASP HB3 . 11233 1 287 . 1 1 31 31 ASP C C 13 171.910 0.300 . 1 . . . . 31 ASP C . 11233 1 288 . 1 1 31 31 ASP CA C 13 52.633 0.300 . 1 . . . . 31 ASP CA . 11233 1 289 . 1 1 31 31 ASP CB C 13 38.284 0.300 . 1 . . . . 31 ASP CB . 11233 1 290 . 1 1 31 31 ASP N N 15 121.427 0.300 . 1 . . . . 31 ASP N . 11233 1 291 . 1 1 32 32 LEU H H 1 7.933 0.030 . 1 . . . . 32 LEU H . 11233 1 292 . 1 1 32 32 LEU HA H 1 4.765 0.030 . 1 . . . . 32 LEU HA . 11233 1 293 . 1 1 32 32 LEU HB2 H 1 1.517 0.030 . 2 . . . . 32 LEU HB2 . 11233 1 294 . 1 1 32 32 LEU HB3 H 1 1.452 0.030 . 2 . . . . 32 LEU HB3 . 11233 1 295 . 1 1 32 32 LEU HD11 H 1 0.655 0.030 . 1 . . . . 32 LEU HD1 . 11233 1 296 . 1 1 32 32 LEU HD12 H 1 0.655 0.030 . 1 . . . . 32 LEU HD1 . 11233 1 297 . 1 1 32 32 LEU HD13 H 1 0.655 0.030 . 1 . . . . 32 LEU HD1 . 11233 1 298 . 1 1 32 32 LEU HD21 H 1 0.594 0.030 . 1 . . . . 32 LEU HD2 . 11233 1 299 . 1 1 32 32 LEU HD22 H 1 0.594 0.030 . 1 . . . . 32 LEU HD2 . 11233 1 300 . 1 1 32 32 LEU HD23 H 1 0.594 0.030 . 1 . . . . 32 LEU HD2 . 11233 1 301 . 1 1 32 32 LEU HG H 1 1.498 0.030 . 1 . . . . 32 LEU HG . 11233 1 302 . 1 1 32 32 LEU C C 13 174.108 0.300 . 1 . . . . 32 LEU C . 11233 1 303 . 1 1 32 32 LEU CA C 13 51.240 0.300 . 1 . . . . 32 LEU CA . 11233 1 304 . 1 1 32 32 LEU CB C 13 41.136 0.300 . 1 . . . . 32 LEU CB . 11233 1 305 . 1 1 32 32 LEU CD1 C 13 22.097 0.300 . 2 . . . . 32 LEU CD1 . 11233 1 306 . 1 1 32 32 LEU CD2 C 13 22.135 0.300 . 2 . . . . 32 LEU CD2 . 11233 1 307 . 1 1 32 32 LEU CG C 13 24.815 0.300 . 1 . . . . 32 LEU CG . 11233 1 308 . 1 1 32 32 LEU N N 15 120.477 0.300 . 1 . . . . 32 LEU N . 11233 1 309 . 1 1 33 33 ILE H H 1 9.161 0.030 . 1 . . . . 33 ILE H . 11233 1 310 . 1 1 33 33 ILE HA H 1 4.156 0.030 . 1 . . . . 33 ILE HA . 11233 1 311 . 1 1 33 33 ILE HB H 1 1.049 0.030 . 1 . . . . 33 ILE HB . 11233 1 312 . 1 1 33 33 ILE HD11 H 1 -1.006 0.030 . 1 . . . . 33 ILE HD1 . 11233 1 313 . 1 1 33 33 ILE HD12 H 1 -1.006 0.030 . 1 . . . . 33 ILE HD1 . 11233 1 314 . 1 1 33 33 ILE HD13 H 1 -1.006 0.030 . 1 . . . . 33 ILE HD1 . 11233 1 315 . 1 1 33 33 ILE HG12 H 1 -0.080 0.030 . 2 . . . . 33 ILE HG12 . 11233 1 316 . 1 1 33 33 ILE HG13 H 1 0.606 0.030 . 2 . . . . 33 ILE HG13 . 11233 1 317 . 1 1 33 33 ILE HG21 H 1 0.160 0.030 . 1 . . . . 33 ILE HG2 . 11233 1 318 . 1 1 33 33 ILE HG22 H 1 0.160 0.030 . 1 . . . . 33 ILE HG2 . 11233 1 319 . 1 1 33 33 ILE HG23 H 1 0.160 0.030 . 1 . . . . 33 ILE HG2 . 11233 1 320 . 1 1 33 33 ILE C C 13 171.601 0.300 . 1 . . . . 33 ILE C . 11233 1 321 . 1 1 33 33 ILE CA C 13 57.649 0.300 . 1 . . . . 33 ILE CA . 11233 1 322 . 1 1 33 33 ILE CB C 13 38.465 0.300 . 1 . . . . 33 ILE CB . 11233 1 323 . 1 1 33 33 ILE CD1 C 13 11.187 0.300 . 1 . . . . 33 ILE CD1 . 11233 1 324 . 1 1 33 33 ILE CG1 C 13 24.863 0.300 . 1 . . . . 33 ILE CG1 . 11233 1 325 . 1 1 33 33 ILE CG2 C 13 15.407 0.300 . 1 . . . . 33 ILE CG2 . 11233 1 326 . 1 1 33 33 ILE N N 15 127.312 0.300 . 1 . . . . 33 ILE N . 11233 1 327 . 1 1 34 34 LYS H H 1 8.375 0.030 . 1 . . . . 34 LYS H . 11233 1 328 . 1 1 34 34 LYS HA H 1 3.875 0.030 . 1 . . . . 34 LYS HA . 11233 1 329 . 1 1 34 34 LYS HB2 H 1 1.400 0.030 . 2 . . . . 34 LYS HB2 . 11233 1 330 . 1 1 34 34 LYS HB3 H 1 1.785 0.030 . 2 . . . . 34 LYS HB3 . 11233 1 331 . 1 1 34 34 LYS HD2 H 1 1.397 0.030 . 1 . . . . 34 LYS HD2 . 11233 1 332 . 1 1 34 34 LYS HD3 H 1 1.397 0.030 . 1 . . . . 34 LYS HD3 . 11233 1 333 . 1 1 34 34 LYS HE2 H 1 2.833 0.030 . 1 . . . . 34 LYS HE2 . 11233 1 334 . 1 1 34 34 LYS HE3 H 1 2.833 0.030 . 1 . . . . 34 LYS HE3 . 11233 1 335 . 1 1 34 34 LYS HG2 H 1 1.046 0.030 . 2 . . . . 34 LYS HG2 . 11233 1 336 . 1 1 34 34 LYS HG3 H 1 0.653 0.030 . 2 . . . . 34 LYS HG3 . 11233 1 337 . 1 1 34 34 LYS C C 13 173.322 0.300 . 1 . . . . 34 LYS C . 11233 1 338 . 1 1 34 34 LYS CA C 13 52.148 0.300 . 1 . . . . 34 LYS CA . 11233 1 339 . 1 1 34 34 LYS CB C 13 31.717 0.300 . 1 . . . . 34 LYS CB . 11233 1 340 . 1 1 34 34 LYS CD C 13 26.838 0.300 . 1 . . . . 34 LYS CD . 11233 1 341 . 1 1 34 34 LYS CE C 13 39.884 0.300 . 1 . . . . 34 LYS CE . 11233 1 342 . 1 1 34 34 LYS CG C 13 22.174 0.300 . 1 . . . . 34 LYS CG . 11233 1 343 . 1 1 34 34 LYS N N 15 128.171 0.300 . 1 . . . . 34 LYS N . 11233 1 344 . 1 1 35 35 LEU H H 1 8.204 0.030 . 1 . . . . 35 LEU H . 11233 1 345 . 1 1 35 35 LEU HA H 1 4.494 0.030 . 1 . . . . 35 LEU HA . 11233 1 346 . 1 1 35 35 LEU HB2 H 1 1.582 0.030 . 2 . . . . 35 LEU HB2 . 11233 1 347 . 1 1 35 35 LEU HB3 H 1 1.285 0.030 . 2 . . . . 35 LEU HB3 . 11233 1 348 . 1 1 35 35 LEU HD11 H 1 0.771 0.030 . 1 . . . . 35 LEU HD1 . 11233 1 349 . 1 1 35 35 LEU HD12 H 1 0.771 0.030 . 1 . . . . 35 LEU HD1 . 11233 1 350 . 1 1 35 35 LEU HD13 H 1 0.771 0.030 . 1 . . . . 35 LEU HD1 . 11233 1 351 . 1 1 35 35 LEU HD21 H 1 0.712 0.030 . 1 . . . . 35 LEU HD2 . 11233 1 352 . 1 1 35 35 LEU HD22 H 1 0.712 0.030 . 1 . . . . 35 LEU HD2 . 11233 1 353 . 1 1 35 35 LEU HD23 H 1 0.712 0.030 . 1 . . . . 35 LEU HD2 . 11233 1 354 . 1 1 35 35 LEU HG H 1 1.378 0.030 . 1 . . . . 35 LEU HG . 11233 1 355 . 1 1 35 35 LEU C C 13 174.098 0.300 . 1 . . . . 35 LEU C . 11233 1 356 . 1 1 35 35 LEU CA C 13 52.708 0.300 . 1 . . . . 35 LEU CA . 11233 1 357 . 1 1 35 35 LEU CB C 13 39.276 0.300 . 1 . . . . 35 LEU CB . 11233 1 358 . 1 1 35 35 LEU CD1 C 13 20.225 0.300 . 2 . . . . 35 LEU CD1 . 11233 1 359 . 1 1 35 35 LEU CD2 C 13 22.709 0.300 . 2 . . . . 35 LEU CD2 . 11233 1 360 . 1 1 35 35 LEU CG C 13 24.159 0.300 . 1 . . . . 35 LEU CG . 11233 1 361 . 1 1 35 35 LEU N N 15 126.330 0.300 . 1 . . . . 35 LEU N . 11233 1 362 . 1 1 36 36 LEU H H 1 8.156 0.030 . 1 . . . . 36 LEU H . 11233 1 363 . 1 1 36 36 LEU HA H 1 4.938 0.030 . 1 . . . . 36 LEU HA . 11233 1 364 . 1 1 36 36 LEU HB2 H 1 1.534 0.030 . 1 . . . . 36 LEU HB2 . 11233 1 365 . 1 1 36 36 LEU HB3 H 1 1.534 0.030 . 1 . . . . 36 LEU HB3 . 11233 1 366 . 1 1 36 36 LEU HD11 H 1 0.677 0.030 . 1 . . . . 36 LEU HD1 . 11233 1 367 . 1 1 36 36 LEU HD12 H 1 0.677 0.030 . 1 . . . . 36 LEU HD1 . 11233 1 368 . 1 1 36 36 LEU HD13 H 1 0.677 0.030 . 1 . . . . 36 LEU HD1 . 11233 1 369 . 1 1 36 36 LEU HD21 H 1 0.838 0.030 . 1 . . . . 36 LEU HD2 . 11233 1 370 . 1 1 36 36 LEU HD22 H 1 0.838 0.030 . 1 . . . . 36 LEU HD2 . 11233 1 371 . 1 1 36 36 LEU HD23 H 1 0.838 0.030 . 1 . . . . 36 LEU HD2 . 11233 1 372 . 1 1 36 36 LEU HG H 1 1.470 0.030 . 1 . . . . 36 LEU HG . 11233 1 373 . 1 1 36 36 LEU C C 13 171.837 0.300 . 1 . . . . 36 LEU C . 11233 1 374 . 1 1 36 36 LEU CA C 13 48.824 0.300 . 1 . . . . 36 LEU CA . 11233 1 375 . 1 1 36 36 LEU CB C 13 42.087 0.300 . 1 . . . . 36 LEU CB . 11233 1 376 . 1 1 36 36 LEU CD1 C 13 23.372 0.300 . 2 . . . . 36 LEU CD1 . 11233 1 377 . 1 1 36 36 LEU CD2 C 13 20.552 0.300 . 2 . . . . 36 LEU CD2 . 11233 1 378 . 1 1 36 36 LEU CG C 13 24.243 0.300 . 1 . . . . 36 LEU CG . 11233 1 379 . 1 1 36 36 LEU N N 15 123.314 0.300 . 1 . . . . 36 LEU N . 11233 1 380 . 1 1 37 37 PRO HA H 1 4.462 0.030 . 1 . . . . 37 PRO HA . 11233 1 381 . 1 1 37 37 PRO HB2 H 1 1.823 0.030 . 2 . . . . 37 PRO HB2 . 11233 1 382 . 1 1 37 37 PRO HB3 H 1 2.076 0.030 . 2 . . . . 37 PRO HB3 . 11233 1 383 . 1 1 37 37 PRO HD2 H 1 3.663 0.030 . 2 . . . . 37 PRO HD2 . 11233 1 384 . 1 1 37 37 PRO HD3 H 1 3.593 0.030 . 2 . . . . 37 PRO HD3 . 11233 1 385 . 1 1 37 37 PRO HG2 H 1 2.003 0.030 . 2 . . . . 37 PRO HG2 . 11233 1 386 . 1 1 37 37 PRO HG3 H 1 1.923 0.030 . 2 . . . . 37 PRO HG3 . 11233 1 387 . 1 1 37 37 PRO C C 13 173.787 0.300 . 1 . . . . 37 PRO C . 11233 1 388 . 1 1 37 37 PRO CA C 13 60.182 0.300 . 1 . . . . 37 PRO CA . 11233 1 389 . 1 1 37 37 PRO CB C 13 29.156 0.300 . 1 . . . . 37 PRO CB . 11233 1 390 . 1 1 37 37 PRO CD C 13 47.823 0.300 . 1 . . . . 37 PRO CD . 11233 1 391 . 1 1 37 37 PRO CG C 13 24.768 0.300 . 1 . . . . 37 PRO CG . 11233 1 392 . 1 1 38 38 VAL H H 1 7.900 0.030 . 1 . . . . 38 VAL H . 11233 1 393 . 1 1 38 38 VAL HA H 1 4.116 0.030 . 1 . . . . 38 VAL HA . 11233 1 394 . 1 1 38 38 VAL HB H 1 1.692 0.030 . 1 . . . . 38 VAL HB . 11233 1 395 . 1 1 38 38 VAL HG11 H 1 0.493 0.030 . 1 . . . . 38 VAL HG1 . 11233 1 396 . 1 1 38 38 VAL HG12 H 1 0.493 0.030 . 1 . . . . 38 VAL HG1 . 11233 1 397 . 1 1 38 38 VAL HG13 H 1 0.493 0.030 . 1 . . . . 38 VAL HG1 . 11233 1 398 . 1 1 38 38 VAL HG21 H 1 0.493 0.030 . 1 . . . . 38 VAL HG2 . 11233 1 399 . 1 1 38 38 VAL HG22 H 1 0.493 0.030 . 1 . . . . 38 VAL HG2 . 11233 1 400 . 1 1 38 38 VAL HG23 H 1 0.493 0.030 . 1 . . . . 38 VAL HG2 . 11233 1 401 . 1 1 38 38 VAL C C 13 172.539 0.300 . 1 . . . . 38 VAL C . 11233 1 402 . 1 1 38 38 VAL CA C 13 57.927 0.300 . 1 . . . . 38 VAL CA . 11233 1 403 . 1 1 38 38 VAL CB C 13 32.100 0.300 . 1 . . . . 38 VAL CB . 11233 1 404 . 1 1 38 38 VAL CG1 C 13 18.543 0.300 . 2 . . . . 38 VAL CG1 . 11233 1 405 . 1 1 38 38 VAL CG2 C 13 17.858 0.300 . 2 . . . . 38 VAL CG2 . 11233 1 406 . 1 1 38 38 VAL N N 15 119.071 0.300 . 1 . . . . 38 VAL N . 11233 1 407 . 1 1 39 39 ALA H H 1 8.281 0.030 . 1 . . . . 39 ALA H . 11233 1 408 . 1 1 39 39 ALA HA H 1 4.064 0.030 . 1 . . . . 39 ALA HA . 11233 1 409 . 1 1 39 39 ALA HB1 H 1 1.285 0.030 . 1 . . . . 39 ALA HB . 11233 1 410 . 1 1 39 39 ALA HB2 H 1 1.285 0.030 . 1 . . . . 39 ALA HB . 11233 1 411 . 1 1 39 39 ALA HB3 H 1 1.285 0.030 . 1 . . . . 39 ALA HB . 11233 1 412 . 1 1 39 39 ALA C C 13 175.507 0.300 . 1 . . . . 39 ALA C . 11233 1 413 . 1 1 39 39 ALA CA C 13 51.898 0.300 . 1 . . . . 39 ALA CA . 11233 1 414 . 1 1 39 39 ALA CB C 13 16.543 0.300 . 1 . . . . 39 ALA CB . 11233 1 415 . 1 1 39 39 ALA N N 15 126.811 0.300 . 1 . . . . 39 ALA N . 11233 1 416 . 1 1 40 40 THR H H 1 7.300 0.030 . 1 . . . . 40 THR H . 11233 1 417 . 1 1 40 40 THR HA H 1 4.238 0.030 . 1 . . . . 40 THR HA . 11233 1 418 . 1 1 40 40 THR HB H 1 3.959 0.030 . 1 . . . . 40 THR HB . 11233 1 419 . 1 1 40 40 THR HG21 H 1 0.973 0.030 . 1 . . . . 40 THR HG2 . 11233 1 420 . 1 1 40 40 THR HG22 H 1 0.973 0.030 . 1 . . . . 40 THR HG2 . 11233 1 421 . 1 1 40 40 THR HG23 H 1 0.973 0.030 . 1 . . . . 40 THR HG2 . 11233 1 422 . 1 1 40 40 THR C C 13 169.977 0.300 . 1 . . . . 40 THR C . 11233 1 423 . 1 1 40 40 THR CA C 13 58.157 0.300 . 1 . . . . 40 THR CA . 11233 1 424 . 1 1 40 40 THR CB C 13 67.390 0.300 . 1 . . . . 40 THR CB . 11233 1 425 . 1 1 40 40 THR CG2 C 13 18.691 0.300 . 1 . . . . 40 THR CG2 . 11233 1 426 . 1 1 40 40 THR N N 15 109.504 0.300 . 1 . . . . 40 THR N . 11233 1 427 . 1 1 41 41 LEU H H 1 7.943 0.030 . 1 . . . . 41 LEU H . 11233 1 428 . 1 1 41 41 LEU HA H 1 4.231 0.030 . 1 . . . . 41 LEU HA . 11233 1 429 . 1 1 41 41 LEU HB2 H 1 1.336 0.030 . 2 . . . . 41 LEU HB2 . 11233 1 430 . 1 1 41 41 LEU HB3 H 1 1.456 0.030 . 2 . . . . 41 LEU HB3 . 11233 1 431 . 1 1 41 41 LEU HD11 H 1 0.783 0.030 . 1 . . . . 41 LEU HD1 . 11233 1 432 . 1 1 41 41 LEU HD12 H 1 0.783 0.030 . 1 . . . . 41 LEU HD1 . 11233 1 433 . 1 1 41 41 LEU HD13 H 1 0.783 0.030 . 1 . . . . 41 LEU HD1 . 11233 1 434 . 1 1 41 41 LEU HD21 H 1 0.730 0.030 . 1 . . . . 41 LEU HD2 . 11233 1 435 . 1 1 41 41 LEU HD22 H 1 0.730 0.030 . 1 . . . . 41 LEU HD2 . 11233 1 436 . 1 1 41 41 LEU HD23 H 1 0.730 0.030 . 1 . . . . 41 LEU HD2 . 11233 1 437 . 1 1 41 41 LEU HG H 1 1.388 0.030 . 1 . . . . 41 LEU HG . 11233 1 438 . 1 1 41 41 LEU C C 13 174.036 0.300 . 1 . . . . 41 LEU C . 11233 1 439 . 1 1 41 41 LEU CA C 13 51.467 0.300 . 1 . . . . 41 LEU CA . 11233 1 440 . 1 1 41 41 LEU CB C 13 41.963 0.300 . 1 . . . . 41 LEU CB . 11233 1 441 . 1 1 41 41 LEU CD1 C 13 22.097 0.300 . 2 . . . . 41 LEU CD1 . 11233 1 442 . 1 1 41 41 LEU CD2 C 13 21.862 0.300 . 2 . . . . 41 LEU CD2 . 11233 1 443 . 1 1 41 41 LEU CG C 13 23.878 0.300 . 1 . . . . 41 LEU CG . 11233 1 444 . 1 1 41 41 LEU N N 15 125.332 0.300 . 1 . . . . 41 LEU N . 11233 1 445 . 1 1 42 42 GLU H H 1 8.569 0.030 . 1 . . . . 42 GLU H . 11233 1 446 . 1 1 42 42 GLU HA H 1 4.410 0.030 . 1 . . . . 42 GLU HA . 11233 1 447 . 1 1 42 42 GLU HB2 H 1 1.910 0.030 . 2 . . . . 42 GLU HB2 . 11233 1 448 . 1 1 42 42 GLU HB3 H 1 1.704 0.030 . 2 . . . . 42 GLU HB3 . 11233 1 449 . 1 1 42 42 GLU HG2 H 1 2.212 0.030 . 2 . . . . 42 GLU HG2 . 11233 1 450 . 1 1 42 42 GLU HG3 H 1 2.167 0.030 . 2 . . . . 42 GLU HG3 . 11233 1 451 . 1 1 42 42 GLU C C 13 171.371 0.300 . 1 . . . . 42 GLU C . 11233 1 452 . 1 1 42 42 GLU CA C 13 51.842 0.300 . 1 . . . . 42 GLU CA . 11233 1 453 . 1 1 42 42 GLU CB C 13 27.005 0.300 . 1 . . . . 42 GLU CB . 11233 1 454 . 1 1 42 42 GLU CG C 13 33.350 0.300 . 1 . . . . 42 GLU CG . 11233 1 455 . 1 1 42 42 GLU N N 15 126.653 0.300 . 1 . . . . 42 GLU N . 11233 1 456 . 1 1 43 43 PRO HA H 1 4.276 0.030 . 1 . . . . 43 PRO HA . 11233 1 457 . 1 1 43 43 PRO HB2 H 1 2.239 0.030 . 2 . . . . 43 PRO HB2 . 11233 1 458 . 1 1 43 43 PRO HB3 H 1 1.842 0.030 . 2 . . . . 43 PRO HB3 . 11233 1 459 . 1 1 43 43 PRO HD2 H 1 3.818 0.030 . 2 . . . . 43 PRO HD2 . 11233 1 460 . 1 1 43 43 PRO HD3 H 1 3.633 0.030 . 2 . . . . 43 PRO HD3 . 11233 1 461 . 1 1 43 43 PRO HG2 H 1 2.093 0.030 . 2 . . . . 43 PRO HG2 . 11233 1 462 . 1 1 43 43 PRO HG3 H 1 1.950 0.030 . 2 . . . . 43 PRO HG3 . 11233 1 463 . 1 1 43 43 PRO C C 13 175.231 0.300 . 1 . . . . 43 PRO C . 11233 1 464 . 1 1 43 43 PRO CA C 13 61.538 0.300 . 1 . . . . 43 PRO CA . 11233 1 465 . 1 1 43 43 PRO CB C 13 29.132 0.300 . 1 . . . . 43 PRO CB . 11233 1 466 . 1 1 43 43 PRO CD C 13 47.981 0.300 . 1 . . . . 43 PRO CD . 11233 1 467 . 1 1 43 43 PRO CG C 13 25.296 0.300 . 1 . . . . 43 PRO CG . 11233 1 468 . 1 1 44 44 GLY H H 1 8.634 0.030 . 1 . . . . 44 GLY H . 11233 1 469 . 1 1 44 44 GLY HA2 H 1 3.460 0.030 . 2 . . . . 44 GLY HA2 . 11233 1 470 . 1 1 44 44 GLY HA3 H 1 4.125 0.030 . 2 . . . . 44 GLY HA3 . 11233 1 471 . 1 1 44 44 GLY C C 13 171.944 0.300 . 1 . . . . 44 GLY C . 11233 1 472 . 1 1 44 44 GLY CA C 13 42.287 0.300 . 1 . . . . 44 GLY CA . 11233 1 473 . 1 1 44 44 GLY N N 15 110.445 0.300 . 1 . . . . 44 GLY N . 11233 1 474 . 1 1 45 45 TRP H H 1 7.973 0.030 . 1 . . . . 45 TRP H . 11233 1 475 . 1 1 45 45 TRP HA H 1 4.746 0.030 . 1 . . . . 45 TRP HA . 11233 1 476 . 1 1 45 45 TRP HB2 H 1 3.093 0.030 . 2 . . . . 45 TRP HB2 . 11233 1 477 . 1 1 45 45 TRP HB3 H 1 3.034 0.030 . 2 . . . . 45 TRP HB3 . 11233 1 478 . 1 1 45 45 TRP HD1 H 1 6.912 0.030 . 1 . . . . 45 TRP HD1 . 11233 1 479 . 1 1 45 45 TRP HE1 H 1 9.974 0.030 . 1 . . . . 45 TRP HE1 . 11233 1 480 . 1 1 45 45 TRP HE3 H 1 7.309 0.030 . 1 . . . . 45 TRP HE3 . 11233 1 481 . 1 1 45 45 TRP HH2 H 1 7.167 0.030 . 1 . . . . 45 TRP HH2 . 11233 1 482 . 1 1 45 45 TRP HZ2 H 1 7.386 0.030 . 1 . . . . 45 TRP HZ2 . 11233 1 483 . 1 1 45 45 TRP HZ3 H 1 6.911 0.030 . 1 . . . . 45 TRP HZ3 . 11233 1 484 . 1 1 45 45 TRP C C 13 171.346 0.300 . 1 . . . . 45 TRP C . 11233 1 485 . 1 1 45 45 TRP CA C 13 54.293 0.300 . 1 . . . . 45 TRP CA . 11233 1 486 . 1 1 45 45 TRP CB C 13 28.916 0.300 . 1 . . . . 45 TRP CB . 11233 1 487 . 1 1 45 45 TRP CD1 C 13 125.108 0.300 . 1 . . . . 45 TRP CD1 . 11233 1 488 . 1 1 45 45 TRP CE3 C 13 117.638 0.300 . 1 . . . . 45 TRP CE3 . 11233 1 489 . 1 1 45 45 TRP CH2 C 13 121.822 0.300 . 1 . . . . 45 TRP CH2 . 11233 1 490 . 1 1 45 45 TRP CZ2 C 13 112.014 0.300 . 1 . . . . 45 TRP CZ2 . 11233 1 491 . 1 1 45 45 TRP CZ3 C 13 117.956 0.300 . 1 . . . . 45 TRP CZ3 . 11233 1 492 . 1 1 45 45 TRP N N 15 122.533 0.300 . 1 . . . . 45 TRP N . 11233 1 493 . 1 1 45 45 TRP NE1 N 15 129.354 0.300 . 1 . . . . 45 TRP NE1 . 11233 1 494 . 1 1 46 46 GLN H H 1 8.851 0.030 . 1 . . . . 46 GLN H . 11233 1 495 . 1 1 46 46 GLN HA H 1 4.406 0.030 . 1 . . . . 46 GLN HA . 11233 1 496 . 1 1 46 46 GLN HB2 H 1 0.654 0.030 . 2 . . . . 46 GLN HB2 . 11233 1 497 . 1 1 46 46 GLN HB3 H 1 1.318 0.030 . 2 . . . . 46 GLN HB3 . 11233 1 498 . 1 1 46 46 GLN HE21 H 1 7.279 0.030 . 2 . . . . 46 GLN HE21 . 11233 1 499 . 1 1 46 46 GLN HE22 H 1 6.500 0.030 . 2 . . . . 46 GLN HE22 . 11233 1 500 . 1 1 46 46 GLN HG2 H 1 2.048 0.030 . 2 . . . . 46 GLN HG2 . 11233 1 501 . 1 1 46 46 GLN HG3 H 1 1.932 0.030 . 2 . . . . 46 GLN HG3 . 11233 1 502 . 1 1 46 46 GLN C C 13 169.103 0.300 . 1 . . . . 46 GLN C . 11233 1 503 . 1 1 46 46 GLN CA C 13 51.559 0.300 . 1 . . . . 46 GLN CA . 11233 1 504 . 1 1 46 46 GLN CB C 13 31.786 0.300 . 1 . . . . 46 GLN CB . 11233 1 505 . 1 1 46 46 GLN CG C 13 31.775 0.300 . 1 . . . . 46 GLN CG . 11233 1 506 . 1 1 46 46 GLN N N 15 120.515 0.300 . 1 . . . . 46 GLN N . 11233 1 507 . 1 1 46 46 GLN NE2 N 15 109.658 0.300 . 1 . . . . 46 GLN NE2 . 11233 1 508 . 1 1 47 47 PHE H H 1 8.230 0.030 . 1 . . . . 47 PHE H . 11233 1 509 . 1 1 47 47 PHE HA H 1 5.205 0.030 . 1 . . . . 47 PHE HA . 11233 1 510 . 1 1 47 47 PHE HB2 H 1 2.751 0.030 . 2 . . . . 47 PHE HB2 . 11233 1 511 . 1 1 47 47 PHE HB3 H 1 3.010 0.030 . 2 . . . . 47 PHE HB3 . 11233 1 512 . 1 1 47 47 PHE HD1 H 1 7.044 0.030 . 1 . . . . 47 PHE HD1 . 11233 1 513 . 1 1 47 47 PHE HD2 H 1 7.044 0.030 . 1 . . . . 47 PHE HD2 . 11233 1 514 . 1 1 47 47 PHE HE1 H 1 7.218 0.030 . 1 . . . . 47 PHE HE1 . 11233 1 515 . 1 1 47 47 PHE HE2 H 1 7.218 0.030 . 1 . . . . 47 PHE HE2 . 11233 1 516 . 1 1 47 47 PHE HZ H 1 7.146 0.030 . 1 . . . . 47 PHE HZ . 11233 1 517 . 1 1 47 47 PHE C C 13 172.243 0.300 . 1 . . . . 47 PHE C . 11233 1 518 . 1 1 47 47 PHE CA C 13 53.698 0.300 . 1 . . . . 47 PHE CA . 11233 1 519 . 1 1 47 47 PHE CB C 13 41.304 0.300 . 1 . . . . 47 PHE CB . 11233 1 520 . 1 1 47 47 PHE CD1 C 13 129.656 0.300 . 1 . . . . 47 PHE CD1 . 11233 1 521 . 1 1 47 47 PHE CD2 C 13 129.656 0.300 . 1 . . . . 47 PHE CD2 . 11233 1 522 . 1 1 47 47 PHE CE1 C 13 128.316 0.300 . 1 . . . . 47 PHE CE1 . 11233 1 523 . 1 1 47 47 PHE CE2 C 13 128.316 0.300 . 1 . . . . 47 PHE CE2 . 11233 1 524 . 1 1 47 47 PHE CZ C 13 127.081 0.300 . 1 . . . . 47 PHE CZ . 11233 1 525 . 1 1 47 47 PHE N N 15 119.803 0.300 . 1 . . . . 47 PHE N . 11233 1 526 . 1 1 48 48 GLY H H 1 7.994 0.030 . 1 . . . . 48 GLY H . 11233 1 527 . 1 1 48 48 GLY HA2 H 1 4.375 0.030 . 2 . . . . 48 GLY HA2 . 11233 1 528 . 1 1 48 48 GLY HA3 H 1 3.910 0.030 . 2 . . . . 48 GLY HA3 . 11233 1 529 . 1 1 48 48 GLY C C 13 167.443 0.300 . 1 . . . . 48 GLY C . 11233 1 530 . 1 1 48 48 GLY CA C 13 43.916 0.300 . 1 . . . . 48 GLY CA . 11233 1 531 . 1 1 48 48 GLY N N 15 112.302 0.300 . 1 . . . . 48 GLY N . 11233 1 532 . 1 1 49 49 SER H H 1 9.131 0.030 . 1 . . . . 49 SER H . 11233 1 533 . 1 1 49 49 SER HA H 1 5.545 0.030 . 1 . . . . 49 SER HA . 11233 1 534 . 1 1 49 49 SER HB2 H 1 3.487 0.030 . 2 . . . . 49 SER HB2 . 11233 1 535 . 1 1 49 49 SER HB3 H 1 3.636 0.030 . 2 . . . . 49 SER HB3 . 11233 1 536 . 1 1 49 49 SER C C 13 171.113 0.300 . 1 . . . . 49 SER C . 11233 1 537 . 1 1 49 49 SER CA C 13 52.870 0.300 . 1 . . . . 49 SER CA . 11233 1 538 . 1 1 49 49 SER CB C 13 63.846 0.300 . 1 . . . . 49 SER CB . 11233 1 539 . 1 1 49 49 SER N N 15 111.780 0.300 . 1 . . . . 49 SER N . 11233 1 540 . 1 1 50 50 ALA H H 1 8.631 0.030 . 1 . . . . 50 ALA H . 11233 1 541 . 1 1 50 50 ALA HA H 1 4.623 0.030 . 1 . . . . 50 ALA HA . 11233 1 542 . 1 1 50 50 ALA HB1 H 1 1.408 0.030 . 1 . . . . 50 ALA HB . 11233 1 543 . 1 1 50 50 ALA HB2 H 1 1.408 0.030 . 1 . . . . 50 ALA HB . 11233 1 544 . 1 1 50 50 ALA HB3 H 1 1.408 0.030 . 1 . . . . 50 ALA HB . 11233 1 545 . 1 1 50 50 ALA C C 13 175.795 0.300 . 1 . . . . 50 ALA C . 11233 1 546 . 1 1 50 50 ALA CA C 13 50.253 0.300 . 1 . . . . 50 ALA CA . 11233 1 547 . 1 1 50 50 ALA CB C 13 19.023 0.300 . 1 . . . . 50 ALA CB . 11233 1 548 . 1 1 50 50 ALA N N 15 126.019 0.300 . 1 . . . . 50 ALA N . 11233 1 549 . 1 1 51 51 GLY H H 1 9.197 0.030 . 1 . . . . 51 GLY H . 11233 1 550 . 1 1 51 51 GLY HA2 H 1 3.900 0.030 . 1 . . . . 51 GLY HA2 . 11233 1 551 . 1 1 51 51 GLY HA3 H 1 3.900 0.030 . 1 . . . . 51 GLY HA3 . 11233 1 552 . 1 1 51 51 GLY C C 13 172.708 0.300 . 1 . . . . 51 GLY C . 11233 1 553 . 1 1 51 51 GLY CA C 13 44.496 0.300 . 1 . . . . 51 GLY CA . 11233 1 554 . 1 1 51 51 GLY N N 15 111.726 0.300 . 1 . . . . 51 GLY N . 11233 1 555 . 1 1 52 52 GLY H H 1 8.754 0.030 . 1 . . . . 52 GLY H . 11233 1 556 . 1 1 52 52 GLY HA2 H 1 3.620 0.030 . 2 . . . . 52 GLY HA2 . 11233 1 557 . 1 1 52 52 GLY HA3 H 1 4.129 0.030 . 2 . . . . 52 GLY HA3 . 11233 1 558 . 1 1 52 52 GLY C C 13 171.026 0.300 . 1 . . . . 52 GLY C . 11233 1 559 . 1 1 52 52 GLY CA C 13 42.513 0.300 . 1 . . . . 52 GLY CA . 11233 1 560 . 1 1 52 52 GLY N N 15 106.716 0.300 . 1 . . . . 52 GLY N . 11233 1 561 . 1 1 53 53 ARG H H 1 7.618 0.030 . 1 . . . . 53 ARG H . 11233 1 562 . 1 1 53 53 ARG HA H 1 4.714 0.030 . 1 . . . . 53 ARG HA . 11233 1 563 . 1 1 53 53 ARG HB2 H 1 1.875 0.030 . 2 . . . . 53 ARG HB2 . 11233 1 564 . 1 1 53 53 ARG HB3 H 1 1.797 0.030 . 2 . . . . 53 ARG HB3 . 11233 1 565 . 1 1 53 53 ARG HD2 H 1 3.254 0.030 . 1 . . . . 53 ARG HD2 . 11233 1 566 . 1 1 53 53 ARG HD3 H 1 3.254 0.030 . 1 . . . . 53 ARG HD3 . 11233 1 567 . 1 1 53 53 ARG HG2 H 1 1.561 0.030 . 1 . . . . 53 ARG HG2 . 11233 1 568 . 1 1 53 53 ARG HG3 H 1 1.561 0.030 . 1 . . . . 53 ARG HG3 . 11233 1 569 . 1 1 53 53 ARG C C 13 171.384 0.300 . 1 . . . . 53 ARG C . 11233 1 570 . 1 1 53 53 ARG CA C 13 51.818 0.300 . 1 . . . . 53 ARG CA . 11233 1 571 . 1 1 53 53 ARG CB C 13 30.817 0.300 . 1 . . . . 53 ARG CB . 11233 1 572 . 1 1 53 53 ARG CD C 13 40.621 0.300 . 1 . . . . 53 ARG CD . 11233 1 573 . 1 1 53 53 ARG CG C 13 24.647 0.300 . 1 . . . . 53 ARG CG . 11233 1 574 . 1 1 53 53 ARG N N 15 119.848 0.300 . 1 . . . . 53 ARG N . 11233 1 575 . 1 1 54 54 SER H H 1 8.285 0.030 . 1 . . . . 54 SER H . 11233 1 576 . 1 1 54 54 SER HA H 1 5.554 0.030 . 1 . . . . 54 SER HA . 11233 1 577 . 1 1 54 54 SER HB2 H 1 3.482 0.030 . 1 . . . . 54 SER HB2 . 11233 1 578 . 1 1 54 54 SER HB3 H 1 3.482 0.030 . 1 . . . . 54 SER HB3 . 11233 1 579 . 1 1 54 54 SER C C 13 177.361 0.300 . 1 . . . . 54 SER C . 11233 1 580 . 1 1 54 54 SER CA C 13 53.795 0.300 . 1 . . . . 54 SER CA . 11233 1 581 . 1 1 54 54 SER CB C 13 63.688 0.300 . 1 . . . . 54 SER CB . 11233 1 582 . 1 1 54 54 SER N N 15 112.906 0.300 . 1 . . . . 54 SER N . 11233 1 583 . 1 1 55 55 GLY H H 1 8.370 0.030 . 1 . . . . 55 GLY H . 11233 1 584 . 1 1 55 55 GLY HA2 H 1 4.032 0.030 . 2 . . . . 55 GLY HA2 . 11233 1 585 . 1 1 55 55 GLY HA3 H 1 3.819 0.030 . 2 . . . . 55 GLY HA3 . 11233 1 586 . 1 1 55 55 GLY C C 13 168.162 0.300 . 1 . . . . 55 GLY C . 11233 1 587 . 1 1 55 55 GLY CA C 13 43.041 0.300 . 1 . . . . 55 GLY CA . 11233 1 588 . 1 1 55 55 GLY N N 15 107.535 0.300 . 1 . . . . 55 GLY N . 11233 1 589 . 1 1 56 56 LEU H H 1 8.134 0.030 . 1 . . . . 56 LEU H . 11233 1 590 . 1 1 56 56 LEU HA H 1 5.583 0.030 . 1 . . . . 56 LEU HA . 11233 1 591 . 1 1 56 56 LEU HB2 H 1 1.813 0.030 . 2 . . . . 56 LEU HB2 . 11233 1 592 . 1 1 56 56 LEU HB3 H 1 1.647 0.030 . 2 . . . . 56 LEU HB3 . 11233 1 593 . 1 1 56 56 LEU HD11 H 1 0.885 0.030 . 1 . . . . 56 LEU HD1 . 11233 1 594 . 1 1 56 56 LEU HD12 H 1 0.885 0.030 . 1 . . . . 56 LEU HD1 . 11233 1 595 . 1 1 56 56 LEU HD13 H 1 0.885 0.030 . 1 . . . . 56 LEU HD1 . 11233 1 596 . 1 1 56 56 LEU HD21 H 1 0.576 0.030 . 1 . . . . 56 LEU HD2 . 11233 1 597 . 1 1 56 56 LEU HD22 H 1 0.576 0.030 . 1 . . . . 56 LEU HD2 . 11233 1 598 . 1 1 56 56 LEU HD23 H 1 0.576 0.030 . 1 . . . . 56 LEU HD2 . 11233 1 599 . 1 1 56 56 LEU HG H 1 1.879 0.030 . 1 . . . . 56 LEU HG . 11233 1 600 . 1 1 56 56 LEU C C 13 175.377 0.300 . 1 . . . . 56 LEU C . 11233 1 601 . 1 1 56 56 LEU CA C 13 52.000 0.300 . 1 . . . . 56 LEU CA . 11233 1 602 . 1 1 56 56 LEU CB C 13 43.191 0.300 . 1 . . . . 56 LEU CB . 11233 1 603 . 1 1 56 56 LEU CD1 C 13 22.106 0.300 . 2 . . . . 56 LEU CD1 . 11233 1 604 . 1 1 56 56 LEU CD2 C 13 23.026 0.300 . 2 . . . . 56 LEU CD2 . 11233 1 605 . 1 1 56 56 LEU CG C 13 24.889 0.300 . 1 . . . . 56 LEU CG . 11233 1 606 . 1 1 56 56 LEU N N 15 119.705 0.300 . 1 . . . . 56 LEU N . 11233 1 607 . 1 1 57 57 PHE H H 1 8.693 0.030 . 1 . . . . 57 PHE H . 11233 1 608 . 1 1 57 57 PHE HA H 1 5.171 0.030 . 1 . . . . 57 PHE HA . 11233 1 609 . 1 1 57 57 PHE HB2 H 1 3.435 0.030 . 2 . . . . 57 PHE HB2 . 11233 1 610 . 1 1 57 57 PHE HB3 H 1 2.623 0.030 . 2 . . . . 57 PHE HB3 . 11233 1 611 . 1 1 57 57 PHE HD1 H 1 6.925 0.030 . 1 . . . . 57 PHE HD1 . 11233 1 612 . 1 1 57 57 PHE HD2 H 1 6.925 0.030 . 1 . . . . 57 PHE HD2 . 11233 1 613 . 1 1 57 57 PHE HE1 H 1 6.656 0.030 . 1 . . . . 57 PHE HE1 . 11233 1 614 . 1 1 57 57 PHE HE2 H 1 6.656 0.030 . 1 . . . . 57 PHE HE2 . 11233 1 615 . 1 1 57 57 PHE HZ H 1 6.535 0.030 . 1 . . . . 57 PHE HZ . 11233 1 616 . 1 1 57 57 PHE C C 13 168.576 0.300 . 1 . . . . 57 PHE C . 11233 1 617 . 1 1 57 57 PHE CA C 13 53.541 0.300 . 1 . . . . 57 PHE CA . 11233 1 618 . 1 1 57 57 PHE CB C 13 35.861 0.300 . 1 . . . . 57 PHE CB . 11233 1 619 . 1 1 57 57 PHE CD1 C 13 131.247 0.300 . 1 . . . . 57 PHE CD1 . 11233 1 620 . 1 1 57 57 PHE CD2 C 13 131.247 0.300 . 1 . . . . 57 PHE CD2 . 11233 1 621 . 1 1 57 57 PHE CE1 C 13 127.492 0.300 . 1 . . . . 57 PHE CE1 . 11233 1 622 . 1 1 57 57 PHE CE2 C 13 127.492 0.300 . 1 . . . . 57 PHE CE2 . 11233 1 623 . 1 1 57 57 PHE CZ C 13 125.884 0.300 . 1 . . . . 57 PHE CZ . 11233 1 624 . 1 1 57 57 PHE N N 15 113.901 0.300 . 1 . . . . 57 PHE N . 11233 1 625 . 1 1 58 58 PRO HA H 1 3.535 0.030 . 1 . . . . 58 PRO HA . 11233 1 626 . 1 1 58 58 PRO HB2 H 1 1.535 0.030 . 1 . . . . 58 PRO HB2 . 11233 1 627 . 1 1 58 58 PRO HB3 H 1 1.535 0.030 . 1 . . . . 58 PRO HB3 . 11233 1 628 . 1 1 58 58 PRO HD2 H 1 2.505 0.030 . 2 . . . . 58 PRO HD2 . 11233 1 629 . 1 1 58 58 PRO HD3 H 1 3.252 0.030 . 2 . . . . 58 PRO HD3 . 11233 1 630 . 1 1 58 58 PRO HG2 H 1 1.059 0.030 . 2 . . . . 58 PRO HG2 . 11233 1 631 . 1 1 58 58 PRO HG3 H 1 1.510 0.030 . 2 . . . . 58 PRO HG3 . 11233 1 632 . 1 1 58 58 PRO C C 13 174.104 0.300 . 1 . . . . 58 PRO C . 11233 1 633 . 1 1 58 58 PRO CA C 13 59.819 0.300 . 1 . . . . 58 PRO CA . 11233 1 634 . 1 1 58 58 PRO CB C 13 29.041 0.300 . 1 . . . . 58 PRO CB . 11233 1 635 . 1 1 58 58 PRO CD C 13 47.636 0.300 . 1 . . . . 58 PRO CD . 11233 1 636 . 1 1 58 58 PRO CG C 13 24.999 0.300 . 1 . . . . 58 PRO CG . 11233 1 637 . 1 1 59 59 ALA H H 1 7.856 0.030 . 1 . . . . 59 ALA H . 11233 1 638 . 1 1 59 59 ALA HA H 1 3.651 0.030 . 1 . . . . 59 ALA HA . 11233 1 639 . 1 1 59 59 ALA HB1 H 1 0.966 0.030 . 1 . . . . 59 ALA HB . 11233 1 640 . 1 1 59 59 ALA HB2 H 1 0.966 0.030 . 1 . . . . 59 ALA HB . 11233 1 641 . 1 1 59 59 ALA HB3 H 1 0.966 0.030 . 1 . . . . 59 ALA HB . 11233 1 642 . 1 1 59 59 ALA C C 13 175.600 0.300 . 1 . . . . 59 ALA C . 11233 1 643 . 1 1 59 59 ALA CA C 13 51.127 0.300 . 1 . . . . 59 ALA CA . 11233 1 644 . 1 1 59 59 ALA CB C 13 15.952 0.300 . 1 . . . . 59 ALA CB . 11233 1 645 . 1 1 59 59 ALA N N 15 122.918 0.300 . 1 . . . . 59 ALA N . 11233 1 646 . 1 1 60 60 ASP H H 1 8.097 0.030 . 1 . . . . 60 ASP H . 11233 1 647 . 1 1 60 60 ASP HA H 1 4.410 0.030 . 1 . . . . 60 ASP HA . 11233 1 648 . 1 1 60 60 ASP HB2 H 1 2.460 0.030 . 2 . . . . 60 ASP HB2 . 11233 1 649 . 1 1 60 60 ASP HB3 H 1 2.681 0.030 . 2 . . . . 60 ASP HB3 . 11233 1 650 . 1 1 60 60 ASP C C 13 174.484 0.300 . 1 . . . . 60 ASP C . 11233 1 651 . 1 1 60 60 ASP CA C 13 51.995 0.300 . 1 . . . . 60 ASP CA . 11233 1 652 . 1 1 60 60 ASP CB C 13 37.248 0.300 . 1 . . . . 60 ASP CB . 11233 1 653 . 1 1 60 60 ASP N N 15 110.871 0.300 . 1 . . . . 60 ASP N . 11233 1 654 . 1 1 61 61 ILE H H 1 6.834 0.030 . 1 . . . . 61 ILE H . 11233 1 655 . 1 1 61 61 ILE HA H 1 4.508 0.030 . 1 . . . . 61 ILE HA . 11233 1 656 . 1 1 61 61 ILE HB H 1 2.025 0.030 . 1 . . . . 61 ILE HB . 11233 1 657 . 1 1 61 61 ILE HD11 H 1 0.627 0.030 . 1 . . . . 61 ILE HD1 . 11233 1 658 . 1 1 61 61 ILE HD12 H 1 0.627 0.030 . 1 . . . . 61 ILE HD1 . 11233 1 659 . 1 1 61 61 ILE HD13 H 1 0.627 0.030 . 1 . . . . 61 ILE HD1 . 11233 1 660 . 1 1 61 61 ILE HG12 H 1 1.344 0.030 . 1 . . . . 61 ILE HG12 . 11233 1 661 . 1 1 61 61 ILE HG13 H 1 1.344 0.030 . 1 . . . . 61 ILE HG13 . 11233 1 662 . 1 1 61 61 ILE HG21 H 1 0.799 0.030 . 1 . . . . 61 ILE HG2 . 11233 1 663 . 1 1 61 61 ILE HG22 H 1 0.799 0.030 . 1 . . . . 61 ILE HG2 . 11233 1 664 . 1 1 61 61 ILE HG23 H 1 0.799 0.030 . 1 . . . . 61 ILE HG2 . 11233 1 665 . 1 1 61 61 ILE C C 13 170.776 0.300 . 1 . . . . 61 ILE C . 11233 1 666 . 1 1 61 61 ILE CA C 13 58.502 0.300 . 1 . . . . 61 ILE CA . 11233 1 667 . 1 1 61 61 ILE CB C 13 35.912 0.300 . 1 . . . . 61 ILE CB . 11233 1 668 . 1 1 61 61 ILE CD1 C 13 12.615 0.300 . 1 . . . . 61 ILE CD1 . 11233 1 669 . 1 1 61 61 ILE CG1 C 13 24.234 0.300 . 1 . . . . 61 ILE CG1 . 11233 1 670 . 1 1 61 61 ILE CG2 C 13 14.674 0.300 . 1 . . . . 61 ILE CG2 . 11233 1 671 . 1 1 61 61 ILE N N 15 111.686 0.300 . 1 . . . . 61 ILE N . 11233 1 672 . 1 1 62 62 VAL H H 1 7.073 0.030 . 1 . . . . 62 VAL H . 11233 1 673 . 1 1 62 62 VAL HA H 1 5.263 0.030 . 1 . . . . 62 VAL HA . 11233 1 674 . 1 1 62 62 VAL HB H 1 1.704 0.030 . 1 . . . . 62 VAL HB . 11233 1 675 . 1 1 62 62 VAL HG11 H 1 0.419 0.030 . 1 . . . . 62 VAL HG1 . 11233 1 676 . 1 1 62 62 VAL HG12 H 1 0.419 0.030 . 1 . . . . 62 VAL HG1 . 11233 1 677 . 1 1 62 62 VAL HG13 H 1 0.419 0.030 . 1 . . . . 62 VAL HG1 . 11233 1 678 . 1 1 62 62 VAL HG21 H 1 0.779 0.030 . 1 . . . . 62 VAL HG2 . 11233 1 679 . 1 1 62 62 VAL HG22 H 1 0.779 0.030 . 1 . . . . 62 VAL HG2 . 11233 1 680 . 1 1 62 62 VAL HG23 H 1 0.779 0.030 . 1 . . . . 62 VAL HG2 . 11233 1 681 . 1 1 62 62 VAL C C 13 171.292 0.300 . 1 . . . . 62 VAL C . 11233 1 682 . 1 1 62 62 VAL CA C 13 55.748 0.300 . 1 . . . . 62 VAL CA . 11233 1 683 . 1 1 62 62 VAL CB C 13 33.158 0.300 . 1 . . . . 62 VAL CB . 11233 1 684 . 1 1 62 62 VAL CG1 C 13 19.097 0.300 . 2 . . . . 62 VAL CG1 . 11233 1 685 . 1 1 62 62 VAL CG2 C 13 15.156 0.300 . 2 . . . . 62 VAL CG2 . 11233 1 686 . 1 1 62 62 VAL N N 15 110.610 0.300 . 1 . . . . 62 VAL N . 11233 1 687 . 1 1 63 63 GLN H H 1 8.352 0.030 . 1 . . . . 63 GLN H . 11233 1 688 . 1 1 63 63 GLN HA H 1 5.044 0.030 . 1 . . . . 63 GLN HA . 11233 1 689 . 1 1 63 63 GLN HB2 H 1 1.977 0.030 . 2 . . . . 63 GLN HB2 . 11233 1 690 . 1 1 63 63 GLN HB3 H 1 1.894 0.030 . 2 . . . . 63 GLN HB3 . 11233 1 691 . 1 1 63 63 GLN HE21 H 1 7.236 0.030 . 2 . . . . 63 GLN HE21 . 11233 1 692 . 1 1 63 63 GLN HE22 H 1 6.747 0.030 . 2 . . . . 63 GLN HE22 . 11233 1 693 . 1 1 63 63 GLN HG2 H 1 2.230 0.030 . 1 . . . . 63 GLN HG2 . 11233 1 694 . 1 1 63 63 GLN HG3 H 1 2.230 0.030 . 1 . . . . 63 GLN HG3 . 11233 1 695 . 1 1 63 63 GLN C C 13 169.774 0.300 . 1 . . . . 63 GLN C . 11233 1 696 . 1 1 63 63 GLN CA C 13 49.915 0.300 . 1 . . . . 63 GLN CA . 11233 1 697 . 1 1 63 63 GLN CB C 13 28.796 0.300 . 1 . . . . 63 GLN CB . 11233 1 698 . 1 1 63 63 GLN CG C 13 30.343 0.300 . 1 . . . . 63 GLN CG . 11233 1 699 . 1 1 63 63 GLN N N 15 116.979 0.300 . 1 . . . . 63 GLN N . 11233 1 700 . 1 1 63 63 GLN NE2 N 15 111.377 0.300 . 1 . . . . 63 GLN NE2 . 11233 1 701 . 1 1 64 64 PRO HA H 1 4.420 0.030 . 1 . . . . 64 PRO HA . 11233 1 702 . 1 1 64 64 PRO HB2 H 1 2.421 0.030 . 2 . . . . 64 PRO HB2 . 11233 1 703 . 1 1 64 64 PRO HB3 H 1 1.796 0.030 . 2 . . . . 64 PRO HB3 . 11233 1 704 . 1 1 64 64 PRO HD2 H 1 3.859 0.030 . 2 . . . . 64 PRO HD2 . 11233 1 705 . 1 1 64 64 PRO HD3 H 1 3.536 0.030 . 2 . . . . 64 PRO HD3 . 11233 1 706 . 1 1 64 64 PRO HG2 H 1 2.069 0.030 . 2 . . . . 64 PRO HG2 . 11233 1 707 . 1 1 64 64 PRO HG3 H 1 1.889 0.030 . 2 . . . . 64 PRO HG3 . 11233 1 708 . 1 1 64 64 PRO C C 13 172.520 0.300 . 1 . . . . 64 PRO C . 11233 1 709 . 1 1 64 64 PRO CA C 13 61.857 0.300 . 1 . . . . 64 PRO CA . 11233 1 710 . 1 1 64 64 PRO CB C 13 29.788 0.300 . 1 . . . . 64 PRO CB . 11233 1 711 . 1 1 64 64 PRO CD C 13 48.335 0.300 . 1 . . . . 64 PRO CD . 11233 1 712 . 1 1 64 64 PRO CG C 13 25.374 0.300 . 1 . . . . 64 PRO CG . 11233 1 713 . 1 1 65 65 ALA H H 1 7.962 0.030 . 1 . . . . 65 ALA H . 11233 1 714 . 1 1 65 65 ALA HA H 1 4.458 0.030 . 1 . . . . 65 ALA HA . 11233 1 715 . 1 1 65 65 ALA HB1 H 1 1.058 0.030 . 1 . . . . 65 ALA HB . 11233 1 716 . 1 1 65 65 ALA HB2 H 1 1.058 0.030 . 1 . . . . 65 ALA HB . 11233 1 717 . 1 1 65 65 ALA HB3 H 1 1.058 0.030 . 1 . . . . 65 ALA HB . 11233 1 718 . 1 1 65 65 ALA C C 13 173.031 0.300 . 1 . . . . 65 ALA C . 11233 1 719 . 1 1 65 65 ALA CA C 13 48.027 0.300 . 1 . . . . 65 ALA CA . 11233 1 720 . 1 1 65 65 ALA CB C 13 19.611 0.300 . 1 . . . . 65 ALA CB . 11233 1 721 . 1 1 65 65 ALA N N 15 125.342 0.300 . 1 . . . . 65 ALA N . 11233 1 722 . 1 1 66 66 ALA H H 1 8.195 0.030 . 1 . . . . 66 ALA H . 11233 1 723 . 1 1 66 66 ALA HA H 1 4.211 0.030 . 1 . . . . 66 ALA HA . 11233 1 724 . 1 1 66 66 ALA HB1 H 1 1.215 0.030 . 1 . . . . 66 ALA HB . 11233 1 725 . 1 1 66 66 ALA HB2 H 1 1.215 0.030 . 1 . . . . 66 ALA HB . 11233 1 726 . 1 1 66 66 ALA HB3 H 1 1.215 0.030 . 1 . . . . 66 ALA HB . 11233 1 727 . 1 1 66 66 ALA C C 13 173.869 0.300 . 1 . . . . 66 ALA C . 11233 1 728 . 1 1 66 66 ALA CA C 13 48.995 0.300 . 1 . . . . 66 ALA CA . 11233 1 729 . 1 1 66 66 ALA CB C 13 16.718 0.300 . 1 . . . . 66 ALA CB . 11233 1 730 . 1 1 66 66 ALA N N 15 123.552 0.300 . 1 . . . . 66 ALA N . 11233 1 731 . 1 1 67 67 ALA H H 1 8.149 0.030 . 1 . . . . 67 ALA H . 11233 1 732 . 1 1 67 67 ALA HA H 1 3.841 0.030 . 1 . . . . 67 ALA HA . 11233 1 733 . 1 1 67 67 ALA HB1 H 1 1.200 0.030 . 1 . . . . 67 ALA HB . 11233 1 734 . 1 1 67 67 ALA HB2 H 1 1.200 0.030 . 1 . . . . 67 ALA HB . 11233 1 735 . 1 1 67 67 ALA HB3 H 1 1.200 0.030 . 1 . . . . 67 ALA HB . 11233 1 736 . 1 1 67 67 ALA C C 13 173.275 0.300 . 1 . . . . 67 ALA C . 11233 1 737 . 1 1 67 67 ALA CA C 13 47.823 0.300 . 1 . . . . 67 ALA CA . 11233 1 738 . 1 1 67 67 ALA CB C 13 15.239 0.300 . 1 . . . . 67 ALA CB . 11233 1 739 . 1 1 67 67 ALA N N 15 122.267 0.300 . 1 . . . . 67 ALA N . 11233 1 740 . 1 1 68 68 PRO HA H 1 4.063 0.030 . 1 . . . . 68 PRO HA . 11233 1 741 . 1 1 68 68 PRO HB2 H 1 1.390 0.030 . 2 . . . . 68 PRO HB2 . 11233 1 742 . 1 1 68 68 PRO HB3 H 1 1.837 0.030 . 2 . . . . 68 PRO HB3 . 11233 1 743 . 1 1 68 68 PRO HD2 H 1 2.825 0.030 . 1 . . . . 68 PRO HD2 . 11233 1 744 . 1 1 68 68 PRO HD3 H 1 2.825 0.030 . 1 . . . . 68 PRO HD3 . 11233 1 745 . 1 1 68 68 PRO HG2 H 1 1.566 0.030 . 1 . . . . 68 PRO HG2 . 11233 1 746 . 1 1 68 68 PRO HG3 H 1 1.566 0.030 . 1 . . . . 68 PRO HG3 . 11233 1 747 . 1 1 68 68 PRO C C 13 173.443 0.300 . 1 . . . . 68 PRO C . 11233 1 748 . 1 1 68 68 PRO CA C 13 60.154 0.300 . 1 . . . . 68 PRO CA . 11233 1 749 . 1 1 68 68 PRO CB C 13 29.083 0.300 . 1 . . . . 68 PRO CB . 11233 1 750 . 1 1 68 68 PRO CD C 13 46.857 0.300 . 1 . . . . 68 PRO CD . 11233 1 751 . 1 1 68 68 PRO CG C 13 24.511 0.300 . 1 . . . . 68 PRO CG . 11233 1 752 . 1 1 69 69 ASP H H 1 8.024 0.030 . 1 . . . . 69 ASP H . 11233 1 753 . 1 1 69 69 ASP HA H 1 4.351 0.030 . 1 . . . . 69 ASP HA . 11233 1 754 . 1 1 69 69 ASP HB2 H 1 2.462 0.030 . 1 . . . . 69 ASP HB2 . 11233 1 755 . 1 1 69 69 ASP HB3 H 1 2.462 0.030 . 1 . . . . 69 ASP HB3 . 11233 1 756 . 1 1 69 69 ASP C C 13 173.618 0.300 . 1 . . . . 69 ASP C . 11233 1 757 . 1 1 69 69 ASP CA C 13 51.367 0.300 . 1 . . . . 69 ASP CA . 11233 1 758 . 1 1 69 69 ASP CB C 13 38.527 0.300 . 1 . . . . 69 ASP CB . 11233 1 759 . 1 1 69 69 ASP N N 15 119.280 0.300 . 1 . . . . 69 ASP N . 11233 1 760 . 1 1 70 70 PHE H H 1 7.981 0.030 . 1 . . . . 70 PHE H . 11233 1 761 . 1 1 70 70 PHE HA H 1 4.463 0.030 . 1 . . . . 70 PHE HA . 11233 1 762 . 1 1 70 70 PHE HB2 H 1 2.851 0.030 . 2 . . . . 70 PHE HB2 . 11233 1 763 . 1 1 70 70 PHE HB3 H 1 3.020 0.030 . 2 . . . . 70 PHE HB3 . 11233 1 764 . 1 1 70 70 PHE HD1 H 1 7.081 0.030 . 1 . . . . 70 PHE HD1 . 11233 1 765 . 1 1 70 70 PHE HD2 H 1 7.081 0.030 . 1 . . . . 70 PHE HD2 . 11233 1 766 . 1 1 70 70 PHE HE1 H 1 7.152 0.030 . 1 . . . . 70 PHE HE1 . 11233 1 767 . 1 1 70 70 PHE HE2 H 1 7.152 0.030 . 1 . . . . 70 PHE HE2 . 11233 1 768 . 1 1 70 70 PHE HZ H 1 7.148 0.030 . 1 . . . . 70 PHE HZ . 11233 1 769 . 1 1 70 70 PHE C C 13 173.289 0.300 . 1 . . . . 70 PHE C . 11233 1 770 . 1 1 70 70 PHE CA C 13 55.260 0.300 . 1 . . . . 70 PHE CA . 11233 1 771 . 1 1 70 70 PHE CB C 13 36.525 0.300 . 1 . . . . 70 PHE CB . 11233 1 772 . 1 1 70 70 PHE CD1 C 13 128.958 0.300 . 1 . . . . 70 PHE CD1 . 11233 1 773 . 1 1 70 70 PHE CD2 C 13 128.958 0.300 . 1 . . . . 70 PHE CD2 . 11233 1 774 . 1 1 70 70 PHE CE1 C 13 129.016 0.300 . 1 . . . . 70 PHE CE1 . 11233 1 775 . 1 1 70 70 PHE CE2 C 13 129.016 0.300 . 1 . . . . 70 PHE CE2 . 11233 1 776 . 1 1 70 70 PHE CZ C 13 127.100 0.300 . 1 . . . . 70 PHE CZ . 11233 1 777 . 1 1 70 70 PHE N N 15 120.683 0.300 . 1 . . . . 70 PHE N . 11233 1 778 . 1 1 71 71 SER H H 1 8.051 0.030 . 1 . . . . 71 SER H . 11233 1 779 . 1 1 71 71 SER HA H 1 4.191 0.030 . 1 . . . . 71 SER HA . 11233 1 780 . 1 1 71 71 SER HB2 H 1 3.675 0.030 . 2 . . . . 71 SER HB2 . 11233 1 781 . 1 1 71 71 SER HB3 H 1 3.617 0.030 . 2 . . . . 71 SER HB3 . 11233 1 782 . 1 1 71 71 SER C C 13 171.593 0.300 . 1 . . . . 71 SER C . 11233 1 783 . 1 1 71 71 SER CA C 13 56.252 0.300 . 1 . . . . 71 SER CA . 11233 1 784 . 1 1 71 71 SER CB C 13 61.097 0.300 . 1 . . . . 71 SER CB . 11233 1 785 . 1 1 71 71 SER N N 15 116.782 0.300 . 1 . . . . 71 SER N . 11233 1 786 . 1 1 72 72 PHE H H 1 7.937 0.030 . 1 . . . . 72 PHE H . 11233 1 787 . 1 1 72 72 PHE HA H 1 4.503 0.030 . 1 . . . . 72 PHE HA . 11233 1 788 . 1 1 72 72 PHE HB2 H 1 3.060 0.030 . 2 . . . . 72 PHE HB2 . 11233 1 789 . 1 1 72 72 PHE HB3 H 1 2.939 0.030 . 2 . . . . 72 PHE HB3 . 11233 1 790 . 1 1 72 72 PHE HD1 H 1 7.163 0.030 . 1 . . . . 72 PHE HD1 . 11233 1 791 . 1 1 72 72 PHE HD2 H 1 7.163 0.030 . 1 . . . . 72 PHE HD2 . 11233 1 792 . 1 1 72 72 PHE HE1 H 1 7.245 0.030 . 1 . . . . 72 PHE HE1 . 11233 1 793 . 1 1 72 72 PHE HE2 H 1 7.245 0.030 . 1 . . . . 72 PHE HE2 . 11233 1 794 . 1 1 72 72 PHE HZ H 1 7.196 0.030 . 1 . . . . 72 PHE HZ . 11233 1 795 . 1 1 72 72 PHE C C 13 173.275 0.300 . 1 . . . . 72 PHE C . 11233 1 796 . 1 1 72 72 PHE CA C 13 55.321 0.300 . 1 . . . . 72 PHE CA . 11233 1 797 . 1 1 72 72 PHE CB C 13 36.769 0.300 . 1 . . . . 72 PHE CB . 11233 1 798 . 1 1 72 72 PHE CD1 C 13 129.002 0.300 . 1 . . . . 72 PHE CD1 . 11233 1 799 . 1 1 72 72 PHE CD2 C 13 129.002 0.300 . 1 . . . . 72 PHE CD2 . 11233 1 800 . 1 1 72 72 PHE CE1 C 13 129.047 0.300 . 1 . . . . 72 PHE CE1 . 11233 1 801 . 1 1 72 72 PHE CE2 C 13 129.047 0.300 . 1 . . . . 72 PHE CE2 . 11233 1 802 . 1 1 72 72 PHE CZ C 13 127.106 0.300 . 1 . . . . 72 PHE CZ . 11233 1 803 . 1 1 72 72 PHE N N 15 121.566 0.300 . 1 . . . . 72 PHE N . 11233 1 804 . 1 1 73 73 SER HA H 1 4.302 0.030 . 1 . . . . 73 SER HA . 11233 1 805 . 1 1 73 73 SER HB2 H 1 3.756 0.030 . 2 . . . . 73 SER HB2 . 11233 1 806 . 1 1 73 73 SER HB3 H 1 3.714 0.030 . 2 . . . . 73 SER HB3 . 11233 1 807 . 1 1 73 73 SER C C 13 172.022 0.300 . 1 . . . . 73 SER C . 11233 1 808 . 1 1 73 73 SER CA C 13 55.672 0.300 . 1 . . . . 73 SER CA . 11233 1 809 . 1 1 73 73 SER CB C 13 61.232 0.300 . 1 . . . . 73 SER CB . 11233 1 810 . 1 1 74 74 LYS H H 1 8.235 0.030 . 1 . . . . 74 LYS H . 11233 1 811 . 1 1 74 74 LYS HA H 1 4.153 0.030 . 1 . . . . 74 LYS HA . 11233 1 812 . 1 1 74 74 LYS HB2 H 1 1.758 0.030 . 2 . . . . 74 LYS HB2 . 11233 1 813 . 1 1 74 74 LYS HB3 H 1 1.672 0.030 . 2 . . . . 74 LYS HB3 . 11233 1 814 . 1 1 74 74 LYS HD2 H 1 1.593 0.030 . 1 . . . . 74 LYS HD2 . 11233 1 815 . 1 1 74 74 LYS HD3 H 1 1.593 0.030 . 1 . . . . 74 LYS HD3 . 11233 1 816 . 1 1 74 74 LYS HE2 H 1 2.894 0.030 . 1 . . . . 74 LYS HE2 . 11233 1 817 . 1 1 74 74 LYS HE3 H 1 2.894 0.030 . 1 . . . . 74 LYS HE3 . 11233 1 818 . 1 1 74 74 LYS HG2 H 1 1.335 0.030 . 1 . . . . 74 LYS HG2 . 11233 1 819 . 1 1 74 74 LYS HG3 H 1 1.335 0.030 . 1 . . . . 74 LYS HG3 . 11233 1 820 . 1 1 74 74 LYS C C 13 174.168 0.300 . 1 . . . . 74 LYS C . 11233 1 821 . 1 1 74 74 LYS CA C 13 54.250 0.300 . 1 . . . . 74 LYS CA . 11233 1 822 . 1 1 74 74 LYS CB C 13 30.082 0.300 . 1 . . . . 74 LYS CB . 11233 1 823 . 1 1 74 74 LYS CD C 13 26.399 0.300 . 1 . . . . 74 LYS CD . 11233 1 824 . 1 1 74 74 LYS CE C 13 39.534 0.300 . 1 . . . . 74 LYS CE . 11233 1 825 . 1 1 74 74 LYS CG C 13 22.109 0.300 . 1 . . . . 74 LYS CG . 11233 1 826 . 1 1 74 74 LYS N N 15 123.157 0.300 . 1 . . . . 74 LYS N . 11233 1 827 . 1 1 75 75 GLU H H 1 8.244 0.030 . 1 . . . . 75 GLU H . 11233 1 828 . 1 1 75 75 GLU HA H 1 4.130 0.030 . 1 . . . . 75 GLU HA . 11233 1 829 . 1 1 75 75 GLU HB2 H 1 1.922 0.030 . 2 . . . . 75 GLU HB2 . 11233 1 830 . 1 1 75 75 GLU HB3 H 1 1.830 0.030 . 2 . . . . 75 GLU HB3 . 11233 1 831 . 1 1 75 75 GLU HG2 H 1 2.154 0.030 . 1 . . . . 75 GLU HG2 . 11233 1 832 . 1 1 75 75 GLU HG3 H 1 2.154 0.030 . 1 . . . . 75 GLU HG3 . 11233 1 833 . 1 1 75 75 GLU C C 13 173.951 0.300 . 1 . . . . 75 GLU C . 11233 1 834 . 1 1 75 75 GLU CA C 13 54.253 0.300 . 1 . . . . 75 GLU CA . 11233 1 835 . 1 1 75 75 GLU CB C 13 27.431 0.300 . 1 . . . . 75 GLU CB . 11233 1 836 . 1 1 75 75 GLU CG C 13 33.676 0.300 . 1 . . . . 75 GLU CG . 11233 1 837 . 1 1 75 75 GLU N N 15 120.770 0.300 . 1 . . . . 75 GLU N . 11233 1 838 . 1 1 76 76 GLN H H 1 8.204 0.030 . 1 . . . . 76 GLN H . 11233 1 839 . 1 1 76 76 GLN HA H 1 4.211 0.030 . 1 . . . . 76 GLN HA . 11233 1 840 . 1 1 76 76 GLN HB2 H 1 1.992 0.030 . 2 . . . . 76 GLN HB2 . 11233 1 841 . 1 1 76 76 GLN HB3 H 1 1.883 0.030 . 2 . . . . 76 GLN HB3 . 11233 1 842 . 1 1 76 76 GLN HE21 H 1 6.735 0.030 . 2 . . . . 76 GLN HE21 . 11233 1 843 . 1 1 76 76 GLN HE22 H 1 7.399 0.030 . 2 . . . . 76 GLN HE22 . 11233 1 844 . 1 1 76 76 GLN HG2 H 1 2.238 0.030 . 1 . . . . 76 GLN HG2 . 11233 1 845 . 1 1 76 76 GLN HG3 H 1 2.238 0.030 . 1 . . . . 76 GLN HG3 . 11233 1 846 . 1 1 76 76 GLN C C 13 173.381 0.300 . 1 . . . . 76 GLN C . 11233 1 847 . 1 1 76 76 GLN CA C 13 53.306 0.300 . 1 . . . . 76 GLN CA . 11233 1 848 . 1 1 76 76 GLN CB C 13 26.689 0.300 . 1 . . . . 76 GLN CB . 11233 1 849 . 1 1 76 76 GLN CG C 13 31.190 0.300 . 1 . . . . 76 GLN CG . 11233 1 850 . 1 1 76 76 GLN N N 15 121.354 0.300 . 1 . . . . 76 GLN N . 11233 1 851 . 1 1 76 76 GLN NE2 N 15 112.362 0.300 . 1 . . . . 76 GLN NE2 . 11233 1 852 . 1 1 77 77 ARG H H 1 8.268 0.030 . 1 . . . . 77 ARG H . 11233 1 853 . 1 1 77 77 ARG HA H 1 4.281 0.030 . 1 . . . . 77 ARG HA . 11233 1 854 . 1 1 77 77 ARG HB2 H 1 1.773 0.030 . 2 . . . . 77 ARG HB2 . 11233 1 855 . 1 1 77 77 ARG HB3 H 1 1.669 0.030 . 2 . . . . 77 ARG HB3 . 11233 1 856 . 1 1 77 77 ARG HD2 H 1 3.085 0.030 . 1 . . . . 77 ARG HD2 . 11233 1 857 . 1 1 77 77 ARG HD3 H 1 3.085 0.030 . 1 . . . . 77 ARG HD3 . 11233 1 858 . 1 1 77 77 ARG HG2 H 1 1.524 0.030 . 1 . . . . 77 ARG HG2 . 11233 1 859 . 1 1 77 77 ARG HG3 H 1 1.524 0.030 . 1 . . . . 77 ARG HG3 . 11233 1 860 . 1 1 77 77 ARG C C 13 173.758 0.300 . 1 . . . . 77 ARG C . 11233 1 861 . 1 1 77 77 ARG CA C 13 53.464 0.300 . 1 . . . . 77 ARG CA . 11233 1 862 . 1 1 77 77 ARG CB C 13 28.152 0.300 . 1 . . . . 77 ARG CB . 11233 1 863 . 1 1 77 77 ARG CD C 13 40.785 0.300 . 1 . . . . 77 ARG CD . 11233 1 864 . 1 1 77 77 ARG CG C 13 24.453 0.300 . 1 . . . . 77 ARG CG . 11233 1 865 . 1 1 77 77 ARG N N 15 122.177 0.300 . 1 . . . . 77 ARG N . 11233 1 866 . 1 1 78 78 SER H H 1 8.304 0.030 . 1 . . . . 78 SER H . 11233 1 867 . 1 1 78 78 SER HA H 1 4.415 0.030 . 1 . . . . 78 SER HA . 11233 1 868 . 1 1 78 78 SER HB2 H 1 3.783 0.030 . 1 . . . . 78 SER HB2 . 11233 1 869 . 1 1 78 78 SER HB3 H 1 3.783 0.030 . 1 . . . . 78 SER HB3 . 11233 1 870 . 1 1 78 78 SER C C 13 171.970 0.300 . 1 . . . . 78 SER C . 11233 1 871 . 1 1 78 78 SER CA C 13 55.738 0.300 . 1 . . . . 78 SER CA . 11233 1 872 . 1 1 78 78 SER CB C 13 61.460 0.300 . 1 . . . . 78 SER CB . 11233 1 873 . 1 1 78 78 SER N N 15 117.047 0.300 . 1 . . . . 78 SER N . 11233 1 874 . 1 1 79 79 GLY H H 1 8.217 0.030 . 1 . . . . 79 GLY H . 11233 1 875 . 1 1 79 79 GLY HA2 H 1 4.040 0.030 . 1 . . . . 79 GLY HA2 . 11233 1 876 . 1 1 79 79 GLY HA3 H 1 4.040 0.030 . 1 . . . . 79 GLY HA3 . 11233 1 877 . 1 1 79 79 GLY C C 13 171.543 0.300 . 1 . . . . 79 GLY C . 11233 1 878 . 1 1 79 79 GLY CA C 13 42.063 0.300 . 1 . . . . 79 GLY CA . 11233 1 879 . 1 1 79 79 GLY N N 15 110.674 0.300 . 1 . . . . 79 GLY N . 11233 1 880 . 1 1 80 80 SER H H 1 8.160 0.030 . 1 . . . . 80 SER H . 11233 1 881 . 1 1 80 80 SER HA H 1 4.426 0.030 . 1 . . . . 80 SER HA . 11233 1 882 . 1 1 80 80 SER HB2 H 1 3.775 0.030 . 1 . . . . 80 SER HB2 . 11233 1 883 . 1 1 80 80 SER HB3 H 1 3.775 0.030 . 1 . . . . 80 SER HB3 . 11233 1 884 . 1 1 80 80 SER C C 13 172.436 0.300 . 1 . . . . 80 SER C . 11233 1 885 . 1 1 80 80 SER CA C 13 55.679 0.300 . 1 . . . . 80 SER CA . 11233 1 886 . 1 1 80 80 SER CB C 13 61.337 0.300 . 1 . . . . 80 SER CB . 11233 1 887 . 1 1 80 80 SER N N 15 115.303 0.300 . 1 . . . . 80 SER N . 11233 1 888 . 1 1 81 81 GLY H H 1 8.364 0.030 . 1 . . . . 81 GLY H . 11233 1 889 . 1 1 81 81 GLY HA2 H 1 3.932 0.030 . 1 . . . . 81 GLY HA2 . 11233 1 890 . 1 1 81 81 GLY HA3 H 1 3.932 0.030 . 1 . . . . 81 GLY HA3 . 11233 1 891 . 1 1 81 81 GLY CA C 13 42.806 0.300 . 1 . . . . 81 GLY CA . 11233 1 892 . 1 1 81 81 GLY N N 15 111.132 0.300 . 1 . . . . 81 GLY N . 11233 1 893 . 1 1 82 82 PRO HA H 1 4.383 0.030 . 1 . . . . 82 PRO HA . 11233 1 894 . 1 1 82 82 PRO HB2 H 1 1.881 0.030 . 2 . . . . 82 PRO HB2 . 11233 1 895 . 1 1 82 82 PRO HB3 H 1 2.199 0.030 . 2 . . . . 82 PRO HB3 . 11233 1 896 . 1 1 82 82 PRO HD2 H 1 3.523 0.030 . 1 . . . . 82 PRO HD2 . 11233 1 897 . 1 1 82 82 PRO HD3 H 1 3.523 0.030 . 1 . . . . 82 PRO HD3 . 11233 1 898 . 1 1 82 82 PRO HG2 H 1 1.919 0.030 . 1 . . . . 82 PRO HG2 . 11233 1 899 . 1 1 82 82 PRO HG3 H 1 1.919 0.030 . 1 . . . . 82 PRO HG3 . 11233 1 900 . 1 1 82 82 PRO C C 13 174.743 0.300 . 1 . . . . 82 PRO C . 11233 1 901 . 1 1 82 82 PRO CA C 13 60.579 0.300 . 1 . . . . 82 PRO CA . 11233 1 902 . 1 1 82 82 PRO CB C 13 29.492 0.300 . 1 . . . . 82 PRO CB . 11233 1 903 . 1 1 82 82 PRO CD C 13 47.066 0.300 . 1 . . . . 82 PRO CD . 11233 1 904 . 1 1 82 82 PRO CG C 13 24.564 0.300 . 1 . . . . 82 PRO CG . 11233 1 905 . 1 1 83 83 SER H H 1 8.418 0.030 . 1 . . . . 83 SER H . 11233 1 906 . 1 1 83 83 SER HA H 1 4.414 0.030 . 1 . . . . 83 SER HA . 11233 1 907 . 1 1 83 83 SER HB2 H 1 3.813 0.030 . 1 . . . . 83 SER HB2 . 11233 1 908 . 1 1 83 83 SER HB3 H 1 3.813 0.030 . 1 . . . . 83 SER HB3 . 11233 1 909 . 1 1 83 83 SER C C 13 172.005 0.300 . 1 . . . . 83 SER C . 11233 1 910 . 1 1 83 83 SER CA C 13 55.720 0.300 . 1 . . . . 83 SER CA . 11233 1 911 . 1 1 83 83 SER CB C 13 61.164 0.300 . 1 . . . . 83 SER CB . 11233 1 912 . 1 1 83 83 SER N N 15 116.198 0.300 . 1 . . . . 83 SER N . 11233 1 913 . 1 1 84 84 SER H H 1 8.209 0.030 . 1 . . . . 84 SER H . 11233 1 914 . 1 1 84 84 SER HA H 1 4.402 0.030 . 1 . . . . 84 SER HA . 11233 1 915 . 1 1 84 84 SER HB2 H 1 3.793 0.030 . 2 . . . . 84 SER HB2 . 11233 1 916 . 1 1 84 84 SER HB3 H 1 3.804 0.030 . 2 . . . . 84 SER HB3 . 11233 1 917 . 1 1 84 84 SER C C 13 171.285 0.300 . 1 . . . . 84 SER C . 11233 1 918 . 1 1 84 84 SER CA C 13 55.671 0.300 . 1 . . . . 84 SER CA . 11233 1 919 . 1 1 84 84 SER CB C 13 61.568 0.300 . 1 . . . . 84 SER CB . 11233 1 920 . 1 1 84 84 SER N N 15 117.657 0.300 . 1 . . . . 84 SER N . 11233 1 921 . 1 1 85 85 GLY H H 1 7.945 0.030 . 1 . . . . 85 GLY H . 11233 1 922 . 1 1 85 85 GLY HA2 H 1 3.696 0.030 . 1 . . . . 85 GLY HA2 . 11233 1 923 . 1 1 85 85 GLY HA3 H 1 3.696 0.030 . 1 . . . . 85 GLY HA3 . 11233 1 924 . 1 1 85 85 GLY C C 13 176.363 0.300 . 1 . . . . 85 GLY C . 11233 1 925 . 1 1 85 85 GLY CA C 13 43.482 0.300 . 1 . . . . 85 GLY CA . 11233 1 926 . 1 1 85 85 GLY N N 15 116.760 0.300 . 1 . . . . 85 GLY N . 11233 1 stop_ save_