data_16339 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16339 _Entry.Title ; NMR structures of a designed Cyanovirin-N homolog lectin; LKAMG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-08 _Entry.Accession_date 2009-06-08 _Entry.Last_release_date 2009-11-16 _Entry.Original_release_date 2009-11-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 30 STRUCTURES' _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 Leonardus Koharudin L. M.I. . 16339 2 Angela Gronenborn A. M. . 16339 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 1 'not applicable' 'not applicable' . 16339 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CVNH . 16339 Cyanovirin-N . 16339 lectin . 16339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 16339 '15N chemical shifts' 121 16339 '1H chemical shifts' 658 16339 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 . . 2009-11-16 2009-06-08 original author . 16339 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KJL 'BMRB Entry Tracking System' 16339 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 16339 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19639634 _Citation.Full_citation . _Citation.Title 'A designed chimeric cyanovirin-N homolog lectin: structure and molecular basis of sucrose binding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 77 _Citation.Journal_issue 4 _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 904 _Citation.Page_last 915 _Citation.Year 2009 _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 Leonardus Koharudin . M.I. . 16339 1 2 William Furey . . . 16339 1 3 Angela Gronenborn . M. . 16339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16339 _Assembly.ID 1 _Assembly.Name LKAMG _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 LKAMG 1 $LKAMG A . yes native no no . . . 16339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LKAMG _Entity.Sf_category entity _Entity.Sf_framecode LKAMG _Entity.Entry_ID 16339 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LKAMG _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 ; MSYADSSRNAVLTNGGRTLR AECRNADGNWVTSELDLDTI IGNNDGHFQWGGQNFTETAE DIRFHPKEGAAEQPILRARL RDCNGEFHDRDVNLNRIQNV NGRLVFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'a triplet (GSH) artifact cloning is not included in the protein sequence and structure calculation.' _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12104.285 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2KJL . "Nmr Structures Of A Designed Cyanovirin-N Homolog Lectin; Lkamg" . . . . . 100.00 110 100.00 100.00 9.28e-72 . . . . 16339 1 2 no PDB 3HNU . "Crystal Structure Of A Designed Cyanovirin-N Homolog Lectin; Lkamg In P21 Space Group" . . . . . 100.00 110 100.00 100.00 9.28e-72 . . . . 16339 1 3 no PDB 3HNX . "Crystal Structure Of A Designed Cyanovirin-N Homolog Lectin; Lkamg In P212121 Space Group" . . . . . 100.00 110 100.00 100.00 9.28e-72 . . . . 16339 1 4 no PDB 3HP8 . "Crystal Structure Of A Designed Cyanovirin-N Homolog Lectin; Lkamg, Bound To Sucrose" . . . . . 100.00 110 100.00 100.00 9.28e-72 . . . . 16339 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'SUGAR BINDING PROTEIN' 16339 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 . MET . 16339 1 2 . SER . 16339 1 3 . TYR . 16339 1 4 . ALA . 16339 1 5 . ASP . 16339 1 6 . SER . 16339 1 7 . SER . 16339 1 8 . ARG . 16339 1 9 . ASN . 16339 1 10 . ALA . 16339 1 11 . VAL . 16339 1 12 . LEU . 16339 1 13 . THR . 16339 1 14 . ASN . 16339 1 15 . GLY . 16339 1 16 . GLY . 16339 1 17 . ARG . 16339 1 18 . THR . 16339 1 19 . LEU . 16339 1 20 . ARG . 16339 1 21 . ALA . 16339 1 22 . GLU . 16339 1 23 . CYS . 16339 1 24 . ARG . 16339 1 25 . ASN . 16339 1 26 . ALA . 16339 1 27 . ASP . 16339 1 28 . GLY . 16339 1 29 . ASN . 16339 1 30 . TRP . 16339 1 31 . VAL . 16339 1 32 . THR . 16339 1 33 . SER . 16339 1 34 . GLU . 16339 1 35 . LEU . 16339 1 36 . ASP . 16339 1 37 . LEU . 16339 1 38 . ASP . 16339 1 39 . THR . 16339 1 40 . ILE . 16339 1 41 . ILE . 16339 1 42 . GLY . 16339 1 43 . ASN . 16339 1 44 . ASN . 16339 1 45 . ASP . 16339 1 46 . GLY . 16339 1 47 . HIS . 16339 1 48 . PHE . 16339 1 49 . GLN . 16339 1 50 . TRP . 16339 1 51 . GLY . 16339 1 52 . GLY . 16339 1 53 . GLN . 16339 1 54 . ASN . 16339 1 55 . PHE . 16339 1 56 . THR . 16339 1 57 . GLU . 16339 1 58 . THR . 16339 1 59 . ALA . 16339 1 60 . GLU . 16339 1 61 . ASP . 16339 1 62 . ILE . 16339 1 63 . ARG . 16339 1 64 . PHE . 16339 1 65 . HIS . 16339 1 66 . PRO . 16339 1 67 . LYS . 16339 1 68 . GLU . 16339 1 69 . GLY . 16339 1 70 . ALA . 16339 1 71 . ALA . 16339 1 72 . GLU . 16339 1 73 . GLN . 16339 1 74 . PRO . 16339 1 75 . ILE . 16339 1 76 . LEU . 16339 1 77 . ARG . 16339 1 78 . ALA . 16339 1 79 . ARG . 16339 1 80 . LEU . 16339 1 81 . ARG . 16339 1 82 . ASP . 16339 1 83 . CYS . 16339 1 84 . ASN . 16339 1 85 . GLY . 16339 1 86 . GLU . 16339 1 87 . PHE . 16339 1 88 . HIS . 16339 1 89 . ASP . 16339 1 90 . ARG . 16339 1 91 . ASP . 16339 1 92 . VAL . 16339 1 93 . ASN . 16339 1 94 . LEU . 16339 1 95 . ASN . 16339 1 96 . ARG . 16339 1 97 . ILE . 16339 1 98 . GLN . 16339 1 99 . ASN . 16339 1 100 . VAL . 16339 1 101 . ASN . 16339 1 102 . GLY . 16339 1 103 . ARG . 16339 1 104 . LEU . 16339 1 105 . VAL . 16339 1 106 . PHE . 16339 1 107 . GLN . 16339 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 . MET 1 1 16339 1 . SER 2 2 16339 1 . TYR 3 3 16339 1 . ALA 4 4 16339 1 . ASP 5 5 16339 1 . SER 6 6 16339 1 . SER 7 7 16339 1 . ARG 8 8 16339 1 . ASN 9 9 16339 1 . ALA 10 10 16339 1 . VAL 11 11 16339 1 . LEU 12 12 16339 1 . THR 13 13 16339 1 . ASN 14 14 16339 1 . GLY 15 15 16339 1 . GLY 16 16 16339 1 . ARG 17 17 16339 1 . THR 18 18 16339 1 . LEU 19 19 16339 1 . ARG 20 20 16339 1 . ALA 21 21 16339 1 . GLU 22 22 16339 1 . CYS 23 23 16339 1 . ARG 24 24 16339 1 . ASN 25 25 16339 1 . ALA 26 26 16339 1 . ASP 27 27 16339 1 . GLY 28 28 16339 1 . ASN 29 29 16339 1 . TRP 30 30 16339 1 . VAL 31 31 16339 1 . THR 32 32 16339 1 . SER 33 33 16339 1 . GLU 34 34 16339 1 . LEU 35 35 16339 1 . ASP 36 36 16339 1 . LEU 37 37 16339 1 . ASP 38 38 16339 1 . THR 39 39 16339 1 . ILE 40 40 16339 1 . ILE 41 41 16339 1 . GLY 42 42 16339 1 . ASN 43 43 16339 1 . ASN 44 44 16339 1 . ASP 45 45 16339 1 . GLY 46 46 16339 1 . HIS 47 47 16339 1 . PHE 48 48 16339 1 . GLN 49 49 16339 1 . TRP 50 50 16339 1 . GLY 51 51 16339 1 . GLY 52 52 16339 1 . GLN 53 53 16339 1 . ASN 54 54 16339 1 . PHE 55 55 16339 1 . THR 56 56 16339 1 . GLU 57 57 16339 1 . THR 58 58 16339 1 . ALA 59 59 16339 1 . GLU 60 60 16339 1 . ASP 61 61 16339 1 . ILE 62 62 16339 1 . ARG 63 63 16339 1 . PHE 64 64 16339 1 . HIS 65 65 16339 1 . PRO 66 66 16339 1 . LYS 67 67 16339 1 . GLU 68 68 16339 1 . GLY 69 69 16339 1 . ALA 70 70 16339 1 . ALA 71 71 16339 1 . GLU 72 72 16339 1 . GLN 73 73 16339 1 . PRO 74 74 16339 1 . ILE 75 75 16339 1 . LEU 76 76 16339 1 . ARG 77 77 16339 1 . ALA 78 78 16339 1 . ARG 79 79 16339 1 . LEU 80 80 16339 1 . ARG 81 81 16339 1 . ASP 82 82 16339 1 . CYS 83 83 16339 1 . ASN 84 84 16339 1 . GLY 85 85 16339 1 . GLU 86 86 16339 1 . PHE 87 87 16339 1 . HIS 88 88 16339 1 . ASP 89 89 16339 1 . ARG 90 90 16339 1 . ASP 91 91 16339 1 . VAL 92 92 16339 1 . ASN 93 93 16339 1 . LEU 94 94 16339 1 . ASN 95 95 16339 1 . ARG 96 96 16339 1 . ILE 97 97 16339 1 . GLN 98 98 16339 1 . ASN 99 99 16339 1 . VAL 100 100 16339 1 . ASN 101 101 16339 1 . GLY 102 102 16339 1 . ARG 103 103 16339 1 . LEU 104 104 16339 1 . VAL 105 105 16339 1 . PHE 106 106 16339 1 . GLN 107 107 16339 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 16339 _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 $LKAMG . . organism . n/a . . . . . . . . . . . . . . . . . . . . . . . n/a . . . . 16339 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 16339 _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 $LKAMG . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 16339 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16339 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-100%]15N-labeled LKAMG' _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 LKAMG '[U-100% 15N]' . . 1 $LKAMG . . 0.5 . . mM . . . . 16339 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16339 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16339 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16339 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '[U-100%]15N/13C-labeled LKAMG' _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 LKAMG '[U-100% 13C; U-100% 15N]' . . 1 $LKAMG . . 1.2 . . mM . . . . 16339 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16339 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16339 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16339 _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' 20 . mM 16339 1 pH 6.0 . pH 16339 1 pressure 1 . atm 16339 1 temperature 298 . K 16339 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16339 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 16339 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16339 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16339 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16339 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Automatic NOE calibration' 16339 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16339 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16339 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16339 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16339 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16339 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16339 4 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 16339 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16339 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16339 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16339 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 16339 1 2 spectrometer_2 Bruker Avance . 800 . . . 16339 1 3 spectrometer_3 Bruker Avance . 600 . . . 16339 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 16339 _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 '2D 15N-1H HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 2 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 3 '3D CBCA(co)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 5 '3D H(c)CH-NH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 6 '(h)CCH-NH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 7 '3D HBHA(co)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 8 '3D simultaneous 15N/13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16339 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16339 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referenced to water frequency at 298K' 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 water protons . . . . ppm 4.733 internal indirect 0.25144954 . . . . . . . . . 16339 1 H 1 water protons . . . . ppm 4.733 internal direct 1 . . . . . . . . . 16339 1 N 15 water protons . . . . ppm 4.733 internal indirect 0.10132900 . . . . . . . . . 16339 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16339 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 15N-1H HSQC' . . . 16339 1 2 '3D CBCANH' . . . 16339 1 3 '3D CBCA(co)NH' . . . 16339 1 4 '3D HCCH-TOCSY' . . . 16339 1 5 '3D H(c)CH-NH TOCSY' . . . 16339 1 6 '(h)CCH-NH TOCSY' . . . 16339 1 7 '3D HBHA(co)NH' . . . 16339 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.555 . . 1 . . . . 1 M HN . 16339 1 2 . 1 1 1 1 MET HA H 1 4.581 . . 1 . . . . 1 M HA . 16339 1 3 . 1 1 1 1 MET HB2 H 1 2.020 . . 2 . . . . 1 M HB2 . 16339 1 4 . 1 1 1 1 MET HB3 H 1 2.095 . . 2 . . . . 1 M HB3 . 16339 1 5 . 1 1 1 1 MET HG2 H 1 2.496 . . 2 . . . . 1 M HG2 . 16339 1 6 . 1 1 1 1 MET HG3 H 1 2.550 . . 2 . . . . 1 M HG3 . 16339 1 7 . 1 1 1 1 MET CA C 13 55.561 . . 1 . . . . 1 M CA . 16339 1 8 . 1 1 1 1 MET CB C 13 33.161 . . 1 . . . . 1 M CB . 16339 1 9 . 1 1 1 1 MET CG C 13 31.625 . . 1 . . . . 1 M CG . 16339 1 10 . 1 1 1 1 MET N N 15 122.464 . . 1 . . . . 1 M N . 16339 1 11 . 1 1 2 2 SER H H 1 8.485 . . 1 . . . . 2 S HN . 16339 1 12 . 1 1 2 2 SER HA H 1 4.722 . . 1 . . . . 2 S HA . 16339 1 13 . 1 1 2 2 SER HB2 H 1 3.855 . . 2 . . . . 2 S HB2 . 16339 1 14 . 1 1 2 2 SER HB3 H 1 4.215 . . 2 . . . . 2 S HB3 . 16339 1 15 . 1 1 2 2 SER CA C 13 58.149 . . 1 . . . . 2 S CA . 16339 1 16 . 1 1 2 2 SER CB C 13 66.405 . . 1 . . . . 2 S CB . 16339 1 17 . 1 1 2 2 SER N N 15 116.207 . . 1 . . . . 2 S N . 16339 1 18 . 1 1 3 3 TYR H H 1 9.635 . . 1 . . . . 3 Y HN . 16339 1 19 . 1 1 3 3 TYR HA H 1 4.225 . . 1 . . . . 3 Y HA . 16339 1 20 . 1 1 3 3 TYR HB2 H 1 2.580 . . 2 . . . . 3 Y HB2 . 16339 1 21 . 1 1 3 3 TYR HB3 H 1 2.580 . . 2 . . . . 3 Y HB3 . 16339 1 22 . 1 1 3 3 TYR HD1 H 1 7.020 . . 3 . . . . 3 Y HD1 . 16339 1 23 . 1 1 3 3 TYR HE1 H 1 6.630 . . 3 . . . . 3 Y HE1 . 16339 1 24 . 1 1 3 3 TYR CA C 13 58.106 . . 1 . . . . 3 Y CA . 16339 1 25 . 1 1 3 3 TYR CB C 13 37.394 . . 1 . . . . 3 Y CB . 16339 1 26 . 1 1 3 3 TYR CD1 C 13 62.965 . . 3 . . . . 3 Y CD1 . 16339 1 27 . 1 1 3 3 TYR CE1 C 13 49.570 . . 3 . . . . 3 Y CE1 . 16339 1 28 . 1 1 3 3 TYR N N 15 122.582 . . 1 . . . . 3 Y N . 16339 1 29 . 1 1 4 4 ALA H H 1 7.099 . . 1 . . . . 4 A HN . 16339 1 30 . 1 1 4 4 ALA HA H 1 3.254 . . 1 . . . . 4 A HA . 16339 1 31 . 1 1 4 4 ALA HB1 H 1 0.972 . . 1 . . . . 4 A HB1 . 16339 1 32 . 1 1 4 4 ALA HB2 H 1 0.972 . . 1 . . . . 4 A HB1 . 16339 1 33 . 1 1 4 4 ALA HB3 H 1 0.972 . . 1 . . . . 4 A HB1 . 16339 1 34 . 1 1 4 4 ALA CA C 13 54.407 . . 1 . . . . 4 A CA . 16339 1 35 . 1 1 4 4 ALA CB C 13 17.915 . . 1 . . . . 4 A CB . 16339 1 36 . 1 1 4 4 ALA N N 15 125.773 . . 1 . . . . 4 A N . 16339 1 37 . 1 1 5 5 ASP H H 1 7.420 . . 1 . . . . 5 D HN . 16339 1 38 . 1 1 5 5 ASP HA H 1 4.585 . . 1 . . . . 5 D HA . 16339 1 39 . 1 1 5 5 ASP HB2 H 1 2.700 . . 2 . . . . 5 D HB2 . 16339 1 40 . 1 1 5 5 ASP HB3 H 1 2.839 . . 2 . . . . 5 D HB3 . 16339 1 41 . 1 1 5 5 ASP CA C 13 55.912 . . 1 . . . . 5 D CA . 16339 1 42 . 1 1 5 5 ASP CB C 13 41.528 . . 1 . . . . 5 D CB . 16339 1 43 . 1 1 5 5 ASP N N 15 114.457 . . 1 . . . . 5 D N . 16339 1 44 . 1 1 6 6 SER H H 1 7.810 . . 1 . . . . 6 S HN . 16339 1 45 . 1 1 6 6 SER HA H 1 4.747 . . 1 . . . . 6 S HA . 16339 1 46 . 1 1 6 6 SER HB2 H 1 3.645 . . 2 . . . . 6 S HB2 . 16339 1 47 . 1 1 6 6 SER HB3 H 1 4.035 . . 2 . . . . 6 S HB3 . 16339 1 48 . 1 1 6 6 SER CA C 13 57.104 . . 1 . . . . 6 S CA . 16339 1 49 . 1 1 6 6 SER CB C 13 62.147 . . 1 . . . . 6 S CB . 16339 1 50 . 1 1 6 6 SER N N 15 111.706 . . 1 . . . . 6 S N . 16339 1 51 . 1 1 7 7 SER H H 1 7.290 . . 1 . . . . 7 S HN . 16339 1 52 . 1 1 7 7 SER HA H 1 6.167 . . 1 . . . . 7 S HA . 16339 1 53 . 1 1 7 7 SER HB2 H 1 3.740 . . 2 . . . . 7 S HB2 . 16339 1 54 . 1 1 7 7 SER HB3 H 1 4.090 . . 2 . . . . 7 S HB3 . 16339 1 55 . 1 1 7 7 SER CA C 13 57.403 . . 1 . . . . 7 S CA . 16339 1 56 . 1 1 7 7 SER CB C 13 67.119 . . 1 . . . . 7 S CB . 16339 1 57 . 1 1 7 7 SER N N 15 111.957 . . 1 . . . . 7 S N . 16339 1 58 . 1 1 8 8 ARG H H 1 9.825 . . 1 . . . . 8 R HN . 16339 1 59 . 1 1 8 8 ARG HA H 1 4.869 . . 1 . . . . 8 R HA . 16339 1 60 . 1 1 8 8 ARG HB2 H 1 1.493 . . 2 . . . . 8 R HB2 . 16339 1 61 . 1 1 8 8 ARG HB3 H 1 1.601 . . 2 . . . . 8 R HB3 . 16339 1 62 . 1 1 8 8 ARG HD2 H 1 1.455 . . 2 . . . . 8 R HD2 . 16339 1 63 . 1 1 8 8 ARG HD3 H 1 2.245 . . 2 . . . . 8 R HD3 . 16339 1 64 . 1 1 8 8 ARG HE H 1 6.299 . . 1 . . . . 8 R HE . 16339 1 65 . 1 1 8 8 ARG HG2 H 1 0.989 . . 2 . . . . 8 R HG2 . 16339 1 66 . 1 1 8 8 ARG HG3 H 1 1.260 . . 2 . . . . 8 R HG3 . 16339 1 67 . 1 1 8 8 ARG CA C 13 54.486 . . 1 . . . . 8 R CA . 16339 1 68 . 1 1 8 8 ARG CB C 13 33.303 . . 1 . . . . 8 R CB . 16339 1 69 . 1 1 8 8 ARG CD C 13 42.860 . . 1 . . . . 8 R CD . 16339 1 70 . 1 1 8 8 ARG CG C 13 25.990 . . 1 . . . . 8 R CG . 16339 1 71 . 1 1 8 8 ARG N N 15 118.207 . . 1 . . . . 8 R N . 16339 1 72 . 1 1 8 8 ARG NE N 15 116.082 . . 1 . . . . 8 R NE . 16339 1 73 . 1 1 9 9 ASN H H 1 8.965 . . 1 . . . . 9 N HN . 16339 1 74 . 1 1 9 9 ASN HA H 1 4.343 . . 1 . . . . 9 N HA . 16339 1 75 . 1 1 9 9 ASN HB2 H 1 2.940 . . 2 . . . . 9 N HB2 . 16339 1 76 . 1 1 9 9 ASN HB3 H 1 3.000 . . 2 . . . . 9 N HB3 . 16339 1 77 . 1 1 9 9 ASN CA C 13 54.415 . . 1 . . . . 9 N CA . 16339 1 78 . 1 1 9 9 ASN CB C 13 36.600 . . 1 . . . . 9 N CB . 16339 1 79 . 1 1 9 9 ASN N N 15 115.457 . . 1 . . . . 9 N N . 16339 1 80 . 1 1 10 10 ALA H H 1 8.150 . . 1 . . . . 10 A HN . 16339 1 81 . 1 1 10 10 ALA HA H 1 5.420 . . 1 . . . . 10 A HA . 16339 1 82 . 1 1 10 10 ALA HB1 H 1 1.576 . . 1 . . . . 10 A HB1 . 16339 1 83 . 1 1 10 10 ALA HB2 H 1 1.576 . . 1 . . . . 10 A HB1 . 16339 1 84 . 1 1 10 10 ALA HB3 H 1 1.576 . . 1 . . . . 10 A HB1 . 16339 1 85 . 1 1 10 10 ALA CA C 13 52.163 . . 1 . . . . 10 A CA . 16339 1 86 . 1 1 10 10 ALA CB C 13 20.135 . . 1 . . . . 10 A CB . 16339 1 87 . 1 1 10 10 ALA N N 15 119.457 . . 1 . . . . 10 A N . 16339 1 88 . 1 1 11 11 VAL H H 1 9.455 . . 1 . . . . 11 V HN . 16339 1 89 . 1 1 11 11 VAL HA H 1 4.620 . . 1 . . . . 11 V HA . 16339 1 90 . 1 1 11 11 VAL HB H 1 2.125 . . 1 . . . . 11 V HB . 16339 1 91 . 1 1 11 11 VAL HG11 H 1 0.895 . . 2 . . . . 11 V HG11 . 16339 1 92 . 1 1 11 11 VAL HG12 H 1 0.895 . . 2 . . . . 11 V HG11 . 16339 1 93 . 1 1 11 11 VAL HG13 H 1 0.895 . . 2 . . . . 11 V HG11 . 16339 1 94 . 1 1 11 11 VAL HG21 H 1 0.895 . . 2 . . . . 11 V HG21 . 16339 1 95 . 1 1 11 11 VAL HG22 H 1 0.895 . . 2 . . . . 11 V HG21 . 16339 1 96 . 1 1 11 11 VAL HG23 H 1 0.895 . . 2 . . . . 11 V HG21 . 16339 1 97 . 1 1 11 11 VAL CA C 13 60.192 . . 1 . . . . 11 V CA . 16339 1 98 . 1 1 11 11 VAL CB C 13 36.521 . . 1 . . . . 11 V CB . 16339 1 99 . 1 1 11 11 VAL CG1 C 13 21.120 . . 1 . . . . 11 V CG1 . 16339 1 100 . 1 1 11 11 VAL CG2 C 13 21.120 . . 1 . . . . 11 V CG2 . 16339 1 101 . 1 1 11 11 VAL N N 15 119.082 . . 1 . . . . 11 V N . 16339 1 102 . 1 1 12 12 LEU H H 1 8.256 . . 1 . . . . 12 L HN . 16339 1 103 . 1 1 12 12 LEU HA H 1 5.299 . . 1 . . . . 12 L HA . 16339 1 104 . 1 1 12 12 LEU HB2 H 1 1.225 . . 2 . . . . 12 L HB2 . 16339 1 105 . 1 1 12 12 LEU HB3 H 1 1.532 . . 2 . . . . 12 L HB3 . 16339 1 106 . 1 1 12 12 LEU HD11 H 1 0.550 . . 2 . . . . 12 L HD11 . 16339 1 107 . 1 1 12 12 LEU HD12 H 1 0.550 . . 2 . . . . 12 L HD11 . 16339 1 108 . 1 1 12 12 LEU HD13 H 1 0.550 . . 2 . . . . 12 L HD11 . 16339 1 109 . 1 1 12 12 LEU HD21 H 1 0.550 . . 2 . . . . 12 L HD21 . 16339 1 110 . 1 1 12 12 LEU HD22 H 1 0.550 . . 2 . . . . 12 L HD21 . 16339 1 111 . 1 1 12 12 LEU HD23 H 1 0.550 . . 2 . . . . 12 L HD21 . 16339 1 112 . 1 1 12 12 LEU HG H 1 1.240 . . 1 . . . . 12 L HG . 16339 1 113 . 1 1 12 12 LEU CA C 13 53.023 . . 1 . . . . 12 L CA . 16339 1 114 . 1 1 12 12 LEU CB C 13 43.758 . . 1 . . . . 12 L CB . 16339 1 115 . 1 1 12 12 LEU CD1 C 13 24.490 . . 1 . . . . 12 L CD1 . 16339 1 116 . 1 1 12 12 LEU CD2 C 13 24.490 . . 1 . . . . 12 L CD2 . 16339 1 117 . 1 1 12 12 LEU CG C 13 26.740 . . 1 . . . . 12 L CG . 16339 1 118 . 1 1 12 12 LEU N N 15 121.885 . . 1 . . . . 12 L N . 16339 1 119 . 1 1 13 13 THR H H 1 9.475 . . 1 . . . . 13 T HN . 16339 1 120 . 1 1 13 13 THR HA H 1 4.796 . . 1 . . . . 13 T HA . 16339 1 121 . 1 1 13 13 THR HB H 1 4.096 . . 1 . . . . 13 T HB . 16339 1 122 . 1 1 13 13 THR HG21 H 1 0.998 . . 1 . . . . 13 T HG21 . 16339 1 123 . 1 1 13 13 THR HG22 H 1 0.998 . . 1 . . . . 13 T HG21 . 16339 1 124 . 1 1 13 13 THR HG23 H 1 0.998 . . 1 . . . . 13 T HG21 . 16339 1 125 . 1 1 13 13 THR CA C 13 59.375 . . 1 . . . . 13 T CA . 16339 1 126 . 1 1 13 13 THR CB C 13 70.742 . . 1 . . . . 13 T CB . 16339 1 127 . 1 1 13 13 THR N N 15 119.332 . . 1 . . . . 13 T N . 16339 1 128 . 1 1 14 14 ASN H H 1 8.915 . . 1 . . . . 14 N HN . 16339 1 129 . 1 1 14 14 ASN HA H 1 4.439 . . 1 . . . . 14 N HA . 16339 1 130 . 1 1 14 14 ASN HB2 H 1 2.852 . . 2 . . . . 14 N HB2 . 16339 1 131 . 1 1 14 14 ASN HB3 H 1 3.063 . . 2 . . . . 14 N HB3 . 16339 1 132 . 1 1 14 14 ASN CA C 13 53.703 . . 1 . . . . 14 N CA . 16339 1 133 . 1 1 14 14 ASN CB C 13 36.836 . . 1 . . . . 14 N CB . 16339 1 134 . 1 1 14 14 ASN N N 15 117.582 . . 1 . . . . 14 N N . 16339 1 135 . 1 1 15 15 GLY H H 1 8.699 . . 1 . . . . 15 G HN . 16339 1 136 . 1 1 15 15 GLY HA2 H 1 3.746 . . 2 . . . . 15 G HA2 . 16339 1 137 . 1 1 15 15 GLY HA3 H 1 3.884 . . 2 . . . . 15 G HA3 . 16339 1 138 . 1 1 15 15 GLY CA C 13 46.489 . . 1 . . . . 15 G CA . 16339 1 139 . 1 1 15 15 GLY N N 15 106.206 . . 1 . . . . 15 G N . 16339 1 140 . 1 1 16 16 GLY H H 1 7.366 . . 1 . . . . 16 G HN . 16339 1 141 . 1 1 16 16 GLY HA2 H 1 3.299 . . 2 . . . . 16 G HA2 . 16339 1 142 . 1 1 16 16 GLY HA3 H 1 4.219 . . 2 . . . . 16 G HA3 . 16339 1 143 . 1 1 16 16 GLY CA C 13 44.485 . . 1 . . . . 16 G CA . 16339 1 144 . 1 1 16 16 GLY N N 15 106.831 . . 1 . . . . 16 G N . 16339 1 145 . 1 1 17 17 ARG H H 1 6.734 . . 1 . . . . 17 R HN . 16339 1 146 . 1 1 17 17 ARG HA H 1 4.155 . . 1 . . . . 17 R HA . 16339 1 147 . 1 1 17 17 ARG HB2 H 1 1.780 . . 2 . . . . 17 R HB2 . 16339 1 148 . 1 1 17 17 ARG HB3 H 1 1.790 . . 2 . . . . 17 R HB3 . 16339 1 149 . 1 1 17 17 ARG HD2 H 1 3.110 . . 2 . . . . 17 R HD2 . 16339 1 150 . 1 1 17 17 ARG HD3 H 1 3.110 . . 2 . . . . 17 R HD3 . 16339 1 151 . 1 1 17 17 ARG HE H 1 7.635 . . 1 . . . . 17 R HE . 16339 1 152 . 1 1 17 17 ARG HG2 H 1 1.610 . . 2 . . . . 17 R HG2 . 16339 1 153 . 1 1 17 17 ARG HG3 H 1 1.740 . . 2 . . . . 17 R HG3 . 16339 1 154 . 1 1 17 17 ARG CA C 13 56.996 . . 1 . . . . 17 R CA . 16339 1 155 . 1 1 17 17 ARG CB C 13 32.969 . . 1 . . . . 17 R CB . 16339 1 156 . 1 1 17 17 ARG CD C 13 43.985 . . 1 . . . . 17 R CD . 16339 1 157 . 1 1 17 17 ARG CG C 13 27.115 . . 1 . . . . 17 R CG . 16339 1 158 . 1 1 17 17 ARG N N 15 111.706 . . 1 . . . . 17 R N . 16339 1 159 . 1 1 17 17 ARG NE N 15 118.145 . . 1 . . . . 17 R NE . 16339 1 160 . 1 1 18 18 THR H H 1 7.752 . . 1 . . . . 18 T HN . 16339 1 161 . 1 1 18 18 THR HA H 1 4.879 . . 1 . . . . 18 T HA . 16339 1 162 . 1 1 18 18 THR HB H 1 3.735 . . 1 . . . . 18 T HB . 16339 1 163 . 1 1 18 18 THR HG21 H 1 0.899 . . 1 . . . . 18 T HG21 . 16339 1 164 . 1 1 18 18 THR HG22 H 1 0.899 . . 1 . . . . 18 T HG21 . 16339 1 165 . 1 1 18 18 THR HG23 H 1 0.899 . . 1 . . . . 18 T HG21 . 16339 1 166 . 1 1 18 18 THR CA C 13 62.216 . . 1 . . . . 18 T CA . 16339 1 167 . 1 1 18 18 THR CB C 13 70.564 . . 1 . . . . 18 T CB . 16339 1 168 . 1 1 18 18 THR CG2 C 13 21.870 . . 1 . . . . 18 T CG2 . 16339 1 169 . 1 1 18 18 THR N N 15 113.457 . . 1 . . . . 18 T N . 16339 1 170 . 1 1 19 19 LEU H H 1 8.727 . . 1 . . . . 19 L HN . 16339 1 171 . 1 1 19 19 LEU HA H 1 4.618 . . 1 . . . . 19 L HA . 16339 1 172 . 1 1 19 19 LEU HB2 H 1 0.836 . . 2 . . . . 19 L HB2 . 16339 1 173 . 1 1 19 19 LEU HB3 H 1 1.645 . . 2 . . . . 19 L HB3 . 16339 1 174 . 1 1 19 19 LEU HD11 H 1 0.290 . . 2 . . . . 19 L HD11 . 16339 1 175 . 1 1 19 19 LEU HD12 H 1 0.290 . . 2 . . . . 19 L HD11 . 16339 1 176 . 1 1 19 19 LEU HD13 H 1 0.290 . . 2 . . . . 19 L HD11 . 16339 1 177 . 1 1 19 19 LEU HD21 H 1 0.290 . . 2 . . . . 19 L HD21 . 16339 1 178 . 1 1 19 19 LEU HD22 H 1 0.290 . . 2 . . . . 19 L HD21 . 16339 1 179 . 1 1 19 19 LEU HD23 H 1 0.290 . . 2 . . . . 19 L HD21 . 16339 1 180 . 1 1 19 19 LEU HG H 1 0.100 . . 1 . . . . 19 L HG . 16339 1 181 . 1 1 19 19 LEU CA C 13 53.679 . . 1 . . . . 19 L CA . 16339 1 182 . 1 1 19 19 LEU CB C 13 44.678 . . 1 . . . . 19 L CB . 16339 1 183 . 1 1 19 19 LEU N N 15 129.583 . . 1 . . . . 19 L N . 16339 1 184 . 1 1 20 20 ARG H H 1 9.058 . . 1 . . . . 20 R HN . 16339 1 185 . 1 1 20 20 ARG HA H 1 5.368 . . 1 . . . . 20 R HA . 16339 1 186 . 1 1 20 20 ARG HB2 H 1 1.465 . . 2 . . . . 20 R HB2 . 16339 1 187 . 1 1 20 20 ARG HB3 H 1 1.716 . . 2 . . . . 20 R HB3 . 16339 1 188 . 1 1 20 20 ARG HD2 H 1 3.075 . . 2 . . . . 20 R HD2 . 16339 1 189 . 1 1 20 20 ARG HD3 H 1 3.075 . . 2 . . . . 20 R HD3 . 16339 1 190 . 1 1 20 20 ARG HE H 1 7.360 . . 1 . . . . 20 R HE . 16339 1 191 . 1 1 20 20 ARG HG2 H 1 1.548 . . 2 . . . . 20 R HG2 . 16339 1 192 . 1 1 20 20 ARG HG3 H 1 1.548 . . 2 . . . . 20 R HG3 . 16339 1 193 . 1 1 20 20 ARG CA C 13 53.721 . . 1 . . . . 20 R CA . 16339 1 194 . 1 1 20 20 ARG CB C 13 34.134 . . 1 . . . . 20 R CB . 16339 1 195 . 1 1 20 20 ARG CD C 13 43.985 . . 1 . . . . 20 R CD . 16339 1 196 . 1 1 20 20 ARG CG C 13 27.490 . . 1 . . . . 20 R CG . 16339 1 197 . 1 1 20 20 ARG N N 15 129.083 . . 1 . . . . 20 R N . 16339 1 198 . 1 1 20 20 ARG NE N 15 117.085 . . 1 . . . . 20 R NE . 16339 1 199 . 1 1 21 21 ALA H H 1 8.878 . . 1 . . . . 21 A HN . 16339 1 200 . 1 1 21 21 ALA HA H 1 4.734 . . 1 . . . . 21 A HA . 16339 1 201 . 1 1 21 21 ALA HB1 H 1 1.300 . . 1 . . . . 21 A HB1 . 16339 1 202 . 1 1 21 21 ALA HB2 H 1 1.300 . . 1 . . . . 21 A HB1 . 16339 1 203 . 1 1 21 21 ALA HB3 H 1 1.300 . . 1 . . . . 21 A HB1 . 16339 1 204 . 1 1 21 21 ALA CA C 13 51.232 . . 1 . . . . 21 A CA . 16339 1 205 . 1 1 21 21 ALA CB C 13 22.162 . . 1 . . . . 21 A CB . 16339 1 206 . 1 1 21 21 ALA N N 15 123.833 . . 1 . . . . 21 A N . 16339 1 207 . 1 1 22 22 GLU H H 1 8.341 . . 1 . . . . 22 E HN . 16339 1 208 . 1 1 22 22 GLU HA H 1 5.064 . . 1 . . . . 22 E HA . 16339 1 209 . 1 1 22 22 GLU HB2 H 1 1.884 . . 2 . . . . 22 E HB2 . 16339 1 210 . 1 1 22 22 GLU HB3 H 1 2.040 . . 2 . . . . 22 E HB3 . 16339 1 211 . 1 1 22 22 GLU HG2 H 1 2.265 . . 2 . . . . 22 E HG2 . 16339 1 212 . 1 1 22 22 GLU HG3 H 1 2.265 . . 2 . . . . 22 E HG3 . 16339 1 213 . 1 1 22 22 GLU CA C 13 55.325 . . 1 . . . . 22 E CA . 16339 1 214 . 1 1 22 22 GLU CB C 13 30.797 . . 1 . . . . 22 E CB . 16339 1 215 . 1 1 22 22 GLU CG C 13 36.860 . . 1 . . . . 22 E CG . 16339 1 216 . 1 1 22 22 GLU N N 15 118.332 . . 1 . . . . 22 E N . 16339 1 217 . 1 1 23 23 CYS H H 1 9.648 . . 1 . . . . 23 C HN . 16339 1 218 . 1 1 23 23 CYS HA H 1 4.892 . . 1 . . . . 23 C HA . 16339 1 219 . 1 1 23 23 CYS HB2 H 1 2.655 . . 2 . . . . 23 C HB2 . 16339 1 220 . 1 1 23 23 CYS HB3 H 1 2.755 . . 2 . . . . 23 C HB3 . 16339 1 221 . 1 1 23 23 CYS CA C 13 58.505 . . 1 . . . . 23 C CA . 16339 1 222 . 1 1 23 23 CYS CB C 13 30.702 . . 1 . . . . 23 C CB . 16339 1 223 . 1 1 23 23 CYS N N 15 123.458 . . 1 . . . . 23 C N . 16339 1 224 . 1 1 24 24 ARG H H 1 8.059 . . 1 . . . . 24 R HN . 16339 1 225 . 1 1 24 24 ARG HA H 1 3.899 . . 1 . . . . 24 R HA . 16339 1 226 . 1 1 24 24 ARG HB2 H 1 0.141 . . 2 . . . . 24 R HB2 . 16339 1 227 . 1 1 24 24 ARG HB3 H 1 1.099 . . 2 . . . . 24 R HB3 . 16339 1 228 . 1 1 24 24 ARG HD2 H 1 2.485 . . 2 . . . . 24 R HD2 . 16339 1 229 . 1 1 24 24 ARG HD3 H 1 2.665 . . 2 . . . . 24 R HD3 . 16339 1 230 . 1 1 24 24 ARG HE H 1 6.765 . . 1 . . . . 24 R HE . 16339 1 231 . 1 1 24 24 ARG HG2 H 1 0.181 . . 2 . . . . 24 R HG2 . 16339 1 232 . 1 1 24 24 ARG HG3 H 1 1.040 . . 2 . . . . 24 R HG3 . 16339 1 233 . 1 1 24 24 ARG CA C 13 55.978 . . 1 . . . . 24 R CA . 16339 1 234 . 1 1 24 24 ARG CB C 13 30.070 . . 1 . . . . 24 R CB . 16339 1 235 . 1 1 24 24 ARG CD C 13 43.235 . . 1 . . . . 24 R CD . 16339 1 236 . 1 1 24 24 ARG CG C 13 26.740 . . 1 . . . . 24 R CG . 16339 1 237 . 1 1 24 24 ARG N N 15 125.708 . . 1 . . . . 24 R N . 16339 1 238 . 1 1 24 24 ARG NE N 15 116.755 . . 1 . . . . 24 R NE . 16339 1 239 . 1 1 25 25 ASN H H 1 8.940 . . 1 . . . . 25 N HN . 16339 1 240 . 1 1 25 25 ASN HA H 1 4.566 . . 1 . . . . 25 N HA . 16339 1 241 . 1 1 25 25 ASN HB2 H 1 2.410 . . 2 . . . . 25 N HB2 . 16339 1 242 . 1 1 25 25 ASN HB3 H 1 3.360 . . 2 . . . . 25 N HB3 . 16339 1 243 . 1 1 25 25 ASN CA C 13 50.515 . . 1 . . . . 25 N CA . 16339 1 244 . 1 1 25 25 ASN CB C 13 38.857 . . 1 . . . . 25 N CB . 16339 1 245 . 1 1 25 25 ASN N N 15 126.708 . . 1 . . . . 25 N N . 16339 1 246 . 1 1 26 26 ALA H H 1 8.628 . . 1 . . . . 26 A HN . 16339 1 247 . 1 1 26 26 ALA HA H 1 4.028 . . 1 . . . . 26 A HA . 16339 1 248 . 1 1 26 26 ALA HB1 H 1 1.329 . . 1 . . . . 26 A HB1 . 16339 1 249 . 1 1 26 26 ALA HB2 H 1 1.329 . . 1 . . . . 26 A HB1 . 16339 1 250 . 1 1 26 26 ALA HB3 H 1 1.329 . . 1 . . . . 26 A HB1 . 16339 1 251 . 1 1 26 26 ALA CA C 13 54.947 . . 1 . . . . 26 A CA . 16339 1 252 . 1 1 26 26 ALA CB C 13 18.195 . . 1 . . . . 26 A CB . 16339 1 253 . 1 1 26 26 ALA N N 15 120.707 . . 1 . . . . 26 A N . 16339 1 254 . 1 1 27 27 ASP H H 1 7.399 . . 1 . . . . 27 D HN . 16339 1 255 . 1 1 27 27 ASP HA H 1 4.598 . . 1 . . . . 27 D HA . 16339 1 256 . 1 1 27 27 ASP HB2 H 1 2.521 . . 2 . . . . 27 D HB2 . 16339 1 257 . 1 1 27 27 ASP HB3 H 1 2.775 . . 2 . . . . 27 D HB3 . 16339 1 258 . 1 1 27 27 ASP CA C 13 54.366 . . 1 . . . . 27 D CA . 16339 1 259 . 1 1 27 27 ASP CB C 13 41.429 . . 1 . . . . 27 D CB . 16339 1 260 . 1 1 27 27 ASP N N 15 115.207 . . 1 . . . . 27 D N . 16339 1 261 . 1 1 28 28 GLY H H 1 7.933 . . 1 . . . . 28 G HN . 16339 1 262 . 1 1 28 28 GLY HA2 H 1 3.232 . . 2 . . . . 28 G HA2 . 16339 1 263 . 1 1 28 28 GLY HA3 H 1 4.135 . . 2 . . . . 28 G HA3 . 16339 1 264 . 1 1 28 28 GLY CA C 13 44.881 . . 1 . . . . 28 G CA . 16339 1 265 . 1 1 28 28 GLY N N 15 106.706 . . 1 . . . . 28 G N . 16339 1 266 . 1 1 29 29 ASN H H 1 7.629 . . 1 . . . . 29 N HN . 16339 1 267 . 1 1 29 29 ASN HA H 1 4.845 . . 1 . . . . 29 N HA . 16339 1 268 . 1 1 29 29 ASN HB2 H 1 2.515 . . 2 . . . . 29 N HB2 . 16339 1 269 . 1 1 29 29 ASN HB3 H 1 2.750 . . 2 . . . . 29 N HB3 . 16339 1 270 . 1 1 29 29 ASN CA C 13 51.725 . . 1 . . . . 29 N CA . 16339 1 271 . 1 1 29 29 ASN CB C 13 39.825 . . 1 . . . . 29 N CB . 16339 1 272 . 1 1 29 29 ASN N N 15 118.207 . . 1 . . . . 29 N N . 16339 1 273 . 1 1 30 30 TRP H H 1 8.562 . . 1 . . . . 30 W HN . 16339 1 274 . 1 1 30 30 TRP HA H 1 4.704 . . 1 . . . . 30 W HA . 16339 1 275 . 1 1 30 30 TRP HB2 H 1 2.846 . . 2 . . . . 30 W HB2 . 16339 1 276 . 1 1 30 30 TRP HB3 H 1 2.956 . . 2 . . . . 30 W HB3 . 16339 1 277 . 1 1 30 30 TRP HD1 H 1 7.255 . . 1 . . . . 30 W HD1 . 16339 1 278 . 1 1 30 30 TRP HE1 H 1 9.983 . . 3 . . . . 30 W HE1 . 16339 1 279 . 1 1 30 30 TRP HH2 H 1 6.950 . . 1 . . . . 30 W HH2 . 16339 1 280 . 1 1 30 30 TRP HZ2 H 1 7.410 . . 4 . . . . 30 W HZ2 . 16339 1 281 . 1 1 30 30 TRP HZ3 H 1 6.812 . . 4 . . . . 30 W HZ3 . 16339 1 282 . 1 1 30 30 TRP CA C 13 56.452 . . 1 . . . . 30 W CA . 16339 1 283 . 1 1 30 30 TRP CB C 13 29.694 . . 1 . . . . 30 W CB . 16339 1 284 . 1 1 30 30 TRP CD1 C 13 57.910 . . 3 . . . . 30 W CD1 . 16339 1 285 . 1 1 30 30 TRP CZ2 C 13 44.240 . . 3 . . . . 30 W CZ2 . 16339 1 286 . 1 1 30 30 TRP N N 15 121.457 . . 1 . . . . 30 W N . 16339 1 287 . 1 1 30 30 TRP NE1 N 15 129.013 . . 1 . . . . 30 W NE1 . 16339 1 288 . 1 1 31 31 VAL H H 1 9.122 . . 1 . . . . 31 V HN . 16339 1 289 . 1 1 31 31 VAL HA H 1 4.618 . . 1 . . . . 31 V HA . 16339 1 290 . 1 1 31 31 VAL HB H 1 2.300 . . 1 . . . . 31 V HB . 16339 1 291 . 1 1 31 31 VAL HG11 H 1 0.990 . . 2 . . . . 31 V HG11 . 16339 1 292 . 1 1 31 31 VAL HG12 H 1 0.990 . . 2 . . . . 31 V HG11 . 16339 1 293 . 1 1 31 31 VAL HG13 H 1 0.990 . . 2 . . . . 31 V HG11 . 16339 1 294 . 1 1 31 31 VAL HG21 H 1 0.960 . . 2 . . . . 31 V HG21 . 16339 1 295 . 1 1 31 31 VAL HG22 H 1 0.960 . . 2 . . . . 31 V HG21 . 16339 1 296 . 1 1 31 31 VAL HG23 H 1 0.960 . . 2 . . . . 31 V HG21 . 16339 1 297 . 1 1 31 31 VAL CA C 13 60.167 . . 1 . . . . 31 V CA . 16339 1 298 . 1 1 31 31 VAL CB C 13 34.828 . . 1 . . . . 31 V CB . 16339 1 299 . 1 1 31 31 VAL CG1 C 13 19.990 . . 1 . . . . 31 V CG1 . 16339 1 300 . 1 1 31 31 VAL CG2 C 13 21.870 . . 1 . . . . 31 V CG2 . 16339 1 301 . 1 1 31 31 VAL N N 15 122.957 . . 1 . . . . 31 V N . 16339 1 302 . 1 1 32 32 THR H H 1 8.847 . . 1 . . . . 32 T HN . 16339 1 303 . 1 1 32 32 THR HA H 1 4.772 . . 1 . . . . 32 T HA . 16339 1 304 . 1 1 32 32 THR HB H 1 4.049 . . 1 . . . . 32 T HB . 16339 1 305 . 1 1 32 32 THR HG21 H 1 1.175 . . 1 . . . . 32 T HG21 . 16339 1 306 . 1 1 32 32 THR HG22 H 1 1.175 . . 1 . . . . 32 T HG21 . 16339 1 307 . 1 1 32 32 THR HG23 H 1 1.175 . . 1 . . . . 32 T HG21 . 16339 1 308 . 1 1 32 32 THR CA C 13 64.193 . . 1 . . . . 32 T CA . 16339 1 309 . 1 1 32 32 THR CB C 13 68.843 . . 1 . . . . 32 T CB . 16339 1 310 . 1 1 32 32 THR CG2 C 13 21.490 . . 1 . . . . 32 T CG2 . 16339 1 311 . 1 1 32 32 THR N N 15 121.957 . . 1 . . . . 32 T N . 16339 1 312 . 1 1 33 33 SER H H 1 9.205 . . 1 . . . . 33 S HN . 16339 1 313 . 1 1 33 33 SER HA H 1 4.814 . . 1 . . . . 33 S HA . 16339 1 314 . 1 1 33 33 SER HB2 H 1 3.658 . . 2 . . . . 33 S HB2 . 16339 1 315 . 1 1 33 33 SER HB3 H 1 4.010 . . 2 . . . . 33 S HB3 . 16339 1 316 . 1 1 33 33 SER CA C 13 56.807 . . 1 . . . . 33 S CA . 16339 1 317 . 1 1 33 33 SER CB C 13 65.986 . . 1 . . . . 33 S CB . 16339 1 318 . 1 1 33 33 SER N N 15 123.458 . . 1 . . . . 33 S N . 16339 1 319 . 1 1 34 34 GLU H H 1 7.962 . . 1 . . . . 34 E HN . 16339 1 320 . 1 1 34 34 GLU HA H 1 5.625 . . 1 . . . . 34 E HA . 16339 1 321 . 1 1 34 34 GLU HB2 H 1 1.776 . . 2 . . . . 34 E HB2 . 16339 1 322 . 1 1 34 34 GLU HB3 H 1 1.776 . . 2 . . . . 34 E HB3 . 16339 1 323 . 1 1 34 34 GLU HG2 H 1 2.020 . . 2 . . . . 34 E HG2 . 16339 1 324 . 1 1 34 34 GLU HG3 H 1 2.160 . . 2 . . . . 34 E HG3 . 16339 1 325 . 1 1 34 34 GLU CA C 13 54.109 . . 1 . . . . 34 E CA . 16339 1 326 . 1 1 34 34 GLU CB C 13 34.275 . . 1 . . . . 34 E CB . 16339 1 327 . 1 1 34 34 GLU CG C 13 36.490 . . 1 . . . . 34 E CG . 16339 1 328 . 1 1 34 34 GLU N N 15 120.207 . . 1 . . . . 34 E N . 16339 1 329 . 1 1 35 35 LEU H H 1 9.215 . . 1 . . . . 35 L HN . 16339 1 330 . 1 1 35 35 LEU HA H 1 4.588 . . 1 . . . . 35 L HA . 16339 1 331 . 1 1 35 35 LEU HB2 H 1 1.286 . . 2 . . . . 35 L HB2 . 16339 1 332 . 1 1 35 35 LEU HB3 H 1 1.525 . . 2 . . . . 35 L HB3 . 16339 1 333 . 1 1 35 35 LEU HD11 H 1 1.515 . . 2 . . . . 35 L HD11 . 16339 1 334 . 1 1 35 35 LEU HD12 H 1 1.515 . . 2 . . . . 35 L HD11 . 16339 1 335 . 1 1 35 35 LEU HD13 H 1 1.515 . . 2 . . . . 35 L HD11 . 16339 1 336 . 1 1 35 35 LEU HD21 H 1 0.710 . . 2 . . . . 35 L HD21 . 16339 1 337 . 1 1 35 35 LEU HD22 H 1 0.710 . . 2 . . . . 35 L HD21 . 16339 1 338 . 1 1 35 35 LEU HD23 H 1 0.710 . . 2 . . . . 35 L HD21 . 16339 1 339 . 1 1 35 35 LEU CA C 13 54.048 . . 1 . . . . 35 L CA . 16339 1 340 . 1 1 35 35 LEU CB C 13 46.858 . . 1 . . . . 35 L CB . 16339 1 341 . 1 1 35 35 LEU CD1 C 13 27.115 . . 1 . . . . 35 L CD1 . 16339 1 342 . 1 1 35 35 LEU CD2 C 13 27.115 . . 1 . . . . 35 L CD2 . 16339 1 343 . 1 1 35 35 LEU N N 15 124.583 . . 1 . . . . 35 L N . 16339 1 344 . 1 1 36 36 ASP H H 1 8.826 . . 1 . . . . 36 D HN . 16339 1 345 . 1 1 36 36 ASP HA H 1 4.833 . . 1 . . . . 36 D HA . 16339 1 346 . 1 1 36 36 ASP HB2 H 1 2.634 . . 2 . . . . 36 D HB2 . 16339 1 347 . 1 1 36 36 ASP HB3 H 1 2.964 . . 2 . . . . 36 D HB3 . 16339 1 348 . 1 1 36 36 ASP CA C 13 53.790 . . 1 . . . . 36 D CA . 16339 1 349 . 1 1 36 36 ASP CB C 13 40.290 . . 1 . . . . 36 D CB . 16339 1 350 . 1 1 36 36 ASP N N 15 125.958 . . 1 . . . . 36 D N . 16339 1 351 . 1 1 37 37 LEU H H 1 9.831 . . 1 . . . . 37 L HN . 16339 1 352 . 1 1 37 37 LEU HA H 1 4.025 . . 1 . . . . 37 L HA . 16339 1 353 . 1 1 37 37 LEU HB2 H 1 1.458 . . 2 . . . . 37 L HB2 . 16339 1 354 . 1 1 37 37 LEU HB3 H 1 2.155 . . 2 . . . . 37 L HB3 . 16339 1 355 . 1 1 37 37 LEU HD11 H 1 0.665 . . 2 . . . . 37 L HD11 . 16339 1 356 . 1 1 37 37 LEU HD12 H 1 0.665 . . 2 . . . . 37 L HD11 . 16339 1 357 . 1 1 37 37 LEU HD13 H 1 0.665 . . 2 . . . . 37 L HD11 . 16339 1 358 . 1 1 37 37 LEU HD21 H 1 0.660 . . 2 . . . . 37 L HD21 . 16339 1 359 . 1 1 37 37 LEU HD22 H 1 0.660 . . 2 . . . . 37 L HD21 . 16339 1 360 . 1 1 37 37 LEU HD23 H 1 0.660 . . 2 . . . . 37 L HD21 . 16339 1 361 . 1 1 37 37 LEU HG H 1 1.750 . . 1 . . . . 37 L HG . 16339 1 362 . 1 1 37 37 LEU CA C 13 57.200 . . 1 . . . . 37 L CA . 16339 1 363 . 1 1 37 37 LEU CB C 13 42.047 . . 1 . . . . 37 L CB . 16339 1 364 . 1 1 37 37 LEU CD1 C 13 26.150 . . 1 . . . . 37 L CD1 . 16339 1 365 . 1 1 37 37 LEU CD2 C 13 22.250 . . 1 . . . . 37 L CD2 . 16339 1 366 . 1 1 37 37 LEU CG C 13 26.365 . . 1 . . . . 37 L CG . 16339 1 367 . 1 1 37 37 LEU N N 15 130.583 . . 1 . . . . 37 L N . 16339 1 368 . 1 1 38 38 ASP H H 1 8.595 . . 1 . . . . 38 D HN . 16339 1 369 . 1 1 38 38 ASP HA H 1 5.342 . . 1 . . . . 38 D HA . 16339 1 370 . 1 1 38 38 ASP HB2 H 1 2.925 . . 2 . . . . 38 D HB2 . 16339 1 371 . 1 1 38 38 ASP HB3 H 1 3.115 . . 2 . . . . 38 D HB3 . 16339 1 372 . 1 1 38 38 ASP CA C 13 55.621 . . 1 . . . . 38 D CA . 16339 1 373 . 1 1 38 38 ASP CB C 13 39.487 . . 1 . . . . 38 D CB . 16339 1 374 . 1 1 38 38 ASP N N 15 116.332 . . 1 . . . . 38 D N . 16339 1 375 . 1 1 39 39 THR H H 1 7.934 . . 1 . . . . 39 T HN . 16339 1 376 . 1 1 39 39 THR HA H 1 4.483 . . 1 . . . . 39 T HA . 16339 1 377 . 1 1 39 39 THR HB H 1 4.412 . . 1 . . . . 39 T HB . 16339 1 378 . 1 1 39 39 THR HG21 H 1 1.353 . . 1 . . . . 39 T HG21 . 16339 1 379 . 1 1 39 39 THR HG22 H 1 1.353 . . 1 . . . . 39 T HG21 . 16339 1 380 . 1 1 39 39 THR HG23 H 1 1.353 . . 1 . . . . 39 T HG21 . 16339 1 381 . 1 1 39 39 THR CA C 13 63.405 . . 1 . . . . 39 T CA . 16339 1 382 . 1 1 39 39 THR CB C 13 70.605 . . 1 . . . . 39 T CB . 16339 1 383 . 1 1 39 39 THR CG2 C 13 22.240 . . 1 . . . . 39 T CG2 . 16339 1 384 . 1 1 39 39 THR N N 15 107.956 . . 1 . . . . 39 T N . 16339 1 385 . 1 1 40 40 ILE H H 1 7.160 . . 1 . . . . 40 I HN . 16339 1 386 . 1 1 40 40 ILE HA H 1 4.670 . . 1 . . . . 40 I HA . 16339 1 387 . 1 1 40 40 ILE HB H 1 1.641 . . 1 . . . . 40 I HB . 16339 1 388 . 1 1 40 40 ILE HD11 H 1 0.899 . . 1 . . . . 40 I HD11 . 16339 1 389 . 1 1 40 40 ILE HD12 H 1 0.899 . . 1 . . . . 40 I HD11 . 16339 1 390 . 1 1 40 40 ILE HD13 H 1 0.899 . . 1 . . . . 40 I HD11 . 16339 1 391 . 1 1 40 40 ILE HG12 H 1 1.100 . . 1 . . . . 40 I HG12 . 16339 1 392 . 1 1 40 40 ILE HG13 H 1 1.495 . . 1 . . . . 40 I HG13 . 16339 1 393 . 1 1 40 40 ILE HG21 H 1 0.899 . . 1 . . . . 40 I HG21 . 16339 1 394 . 1 1 40 40 ILE HG22 H 1 0.899 . . 1 . . . . 40 I HG21 . 16339 1 395 . 1 1 40 40 ILE HG23 H 1 0.899 . . 1 . . . . 40 I HG21 . 16339 1 396 . 1 1 40 40 ILE CA C 13 62.294 . . 1 . . . . 40 I CA . 16339 1 397 . 1 1 40 40 ILE CB C 13 41.654 . . 1 . . . . 40 I CB . 16339 1 398 . 1 1 40 40 ILE CD1 C 13 15.870 . . 1 . . . . 40 I CD1 . 16339 1 399 . 1 1 40 40 ILE CG2 C 13 19.240 . . 1 . . . . 40 I CG2 . 16339 1 400 . 1 1 40 40 ILE N N 15 112.957 . . 1 . . . . 40 I N . 16339 1 401 . 1 1 41 41 ILE H H 1 7.726 . . 1 . . . . 41 I HN . 16339 1 402 . 1 1 41 41 ILE HA H 1 4.290 . . 1 . . . . 41 I HA . 16339 1 403 . 1 1 41 41 ILE HB H 1 1.380 . . 1 . . . . 41 I HB . 16339 1 404 . 1 1 41 41 ILE HD11 H 1 -0.230 . . 1 . . . . 41 I HD11 . 16339 1 405 . 1 1 41 41 ILE HD12 H 1 -0.230 . . 1 . . . . 41 I HD11 . 16339 1 406 . 1 1 41 41 ILE HD13 H 1 -0.230 . . 1 . . . . 41 I HD11 . 16339 1 407 . 1 1 41 41 ILE HG12 H 1 -0.100 . . 1 . . . . 41 I HG12 . 16339 1 408 . 1 1 41 41 ILE HG13 H 1 1.275 . . 1 . . . . 41 I HG13 . 16339 1 409 . 1 1 41 41 ILE HG21 H 1 0.115 . . 1 . . . . 41 I HG21 . 16339 1 410 . 1 1 41 41 ILE HG22 H 1 0.115 . . 1 . . . . 41 I HG21 . 16339 1 411 . 1 1 41 41 ILE HG23 H 1 0.115 . . 1 . . . . 41 I HG21 . 16339 1 412 . 1 1 41 41 ILE CA C 13 61.166 . . 1 . . . . 41 I CA . 16339 1 413 . 1 1 41 41 ILE CB C 13 39.561 . . 1 . . . . 41 I CB . 16339 1 414 . 1 1 41 41 ILE CD1 C 13 13.000 . . 1 . . . . 41 I CD1 . 16339 1 415 . 1 1 41 41 ILE CG1 C 13 28.240 . . 1 . . . . 41 I CG1 . 16339 1 416 . 1 1 41 41 ILE CG2 C 13 18.500 . . 1 . . . . 41 I CG2 . 16339 1 417 . 1 1 41 41 ILE N N 15 121.707 . . 1 . . . . 41 I N . 16339 1 418 . 1 1 42 42 GLY H H 1 8.382 . . 1 . . . . 42 G HN . 16339 1 419 . 1 1 42 42 GLY HA2 H 1 3.553 . . 2 . . . . 42 G HA2 . 16339 1 420 . 1 1 42 42 GLY HA3 H 1 4.485 . . 2 . . . . 42 G HA3 . 16339 1 421 . 1 1 42 42 GLY CA C 13 43.688 . . 1 . . . . 42 G CA . 16339 1 422 . 1 1 42 42 GLY N N 15 110.581 . . 1 . . . . 42 G N . 16339 1 423 . 1 1 43 43 ASN H H 1 8.950 . . 1 . . . . 43 N HN . 16339 1 424 . 1 1 43 43 ASN HA H 1 4.913 . . 1 . . . . 43 N HA . 16339 1 425 . 1 1 43 43 ASN HB2 H 1 2.200 . . 2 . . . . 43 N HB2 . 16339 1 426 . 1 1 43 43 ASN HB3 H 1 2.888 . . 2 . . . . 43 N HB3 . 16339 1 427 . 1 1 43 43 ASN HD21 H 1 8.069 . . 2 . . . . 43 N HD21 . 16339 1 428 . 1 1 43 43 ASN HD22 H 1 7.725 . . 2 . . . . 43 N HD22 . 16339 1 429 . 1 1 43 43 ASN CA C 13 50.773 . . 1 . . . . 43 N CA . 16339 1 430 . 1 1 43 43 ASN CB C 13 39.174 . . 1 . . . . 43 N CB . 16339 1 431 . 1 1 43 43 ASN N N 15 116.957 . . 1 . . . . 43 N N . 16339 1 432 . 1 1 43 43 ASN ND2 N 15 110.395 . . 1 . . . . 43 N ND2 . 16339 1 433 . 1 1 44 44 ASN H H 1 9.086 . . 1 . . . . 44 N HN . 16339 1 434 . 1 1 44 44 ASN HA H 1 4.910 . . 1 . . . . 44 N HA . 16339 1 435 . 1 1 44 44 ASN HB2 H 1 2.345 . . 2 . . . . 44 N HB2 . 16339 1 436 . 1 1 44 44 ASN HB3 H 1 2.857 . . 2 . . . . 44 N HB3 . 16339 1 437 . 1 1 44 44 ASN CA C 13 50.982 . . 1 . . . . 44 N CA . 16339 1 438 . 1 1 44 44 ASN CB C 13 39.102 . . 1 . . . . 44 N CB . 16339 1 439 . 1 1 44 44 ASN N N 15 123.708 . . 1 . . . . 44 N N . 16339 1 440 . 1 1 44 44 ASN ND2 N 15 109.858 . . 1 . . . . 44 N ND2 . 16339 1 441 . 1 1 45 45 ASP H H 1 9.900 . . 1 . . . . 45 D HN . 16339 1 442 . 1 1 45 45 ASP HA H 1 4.379 . . 1 . . . . 45 D HA . 16339 1 443 . 1 1 45 45 ASP HB2 H 1 2.385 . . 2 . . . . 45 D HB2 . 16339 1 444 . 1 1 45 45 ASP HB3 H 1 3.056 . . 2 . . . . 45 D HB3 . 16339 1 445 . 1 1 45 45 ASP CA C 13 54.903 . . 1 . . . . 45 D CA . 16339 1 446 . 1 1 45 45 ASP CB C 13 39.385 . . 1 . . . . 45 D CB . 16339 1 447 . 1 1 46 46 GLY H H 1 8.512 . . 1 . . . . 46 G HN . 16339 1 448 . 1 1 46 46 GLY HA2 H 1 3.059 . . 2 . . . . 46 G HA2 . 16339 1 449 . 1 1 46 46 GLY HA3 H 1 3.658 . . 2 . . . . 46 G HA3 . 16339 1 450 . 1 1 46 46 GLY CA C 13 45.841 . . 1 . . . . 46 G CA . 16339 1 451 . 1 1 46 46 GLY N N 15 106.456 . . 1 . . . . 46 G N . 16339 1 452 . 1 1 47 47 HIS H H 1 7.269 . . 1 . . . . 47 H HN . 16339 1 453 . 1 1 47 47 HIS HA H 1 4.495 . . 1 . . . . 47 H HA . 16339 1 454 . 1 1 47 47 HIS HB2 H 1 2.315 . . 2 . . . . 47 H HB2 . 16339 1 455 . 1 1 47 47 HIS HB3 H 1 3.127 . . 2 . . . . 47 H HB3 . 16339 1 456 . 1 1 47 47 HIS CA C 13 54.461 . . 1 . . . . 47 H CA . 16339 1 457 . 1 1 47 47 HIS CB C 13 31.693 . . 1 . . . . 47 H CB . 16339 1 458 . 1 1 47 47 HIS N N 15 116.207 . . 1 . . . . 47 H N . 16339 1 459 . 1 1 48 48 PHE H H 1 8.556 . . 1 . . . . 48 F HN . 16339 1 460 . 1 1 48 48 PHE HA H 1 4.393 . . 1 . . . . 48 F HA . 16339 1 461 . 1 1 48 48 PHE HB2 H 1 2.256 . . 2 . . . . 48 F HB2 . 16339 1 462 . 1 1 48 48 PHE HB3 H 1 2.572 . . 2 . . . . 48 F HB3 . 16339 1 463 . 1 1 48 48 PHE HD1 H 1 6.705 . . 3 . . . . 48 F HD1 . 16339 1 464 . 1 1 48 48 PHE HE1 H 1 6.500 . . 3 . . . . 48 F HE1 . 16339 1 465 . 1 1 48 48 PHE CA C 13 60.066 . . 1 . . . . 48 F CA . 16339 1 466 . 1 1 48 48 PHE CB C 13 39.567 . . 1 . . . . 48 F CB . 16339 1 467 . 1 1 48 48 PHE CD1 C 13 62.005 . . 3 . . . . 48 F CD1 . 16339 1 468 . 1 1 48 48 PHE CE1 C 13 61.800 . . 3 . . . . 48 F CE1 . 16339 1 469 . 1 1 48 48 PHE N N 15 121.457 . . 1 . . . . 48 F N . 16339 1 470 . 1 1 49 49 GLN H H 1 8.690 . . 1 . . . . 49 Q HN . 16339 1 471 . 1 1 49 49 GLN HA H 1 4.754 . . 1 . . . . 49 Q HA . 16339 1 472 . 1 1 49 49 GLN HB2 H 1 1.734 . . 2 . . . . 49 Q HB2 . 16339 1 473 . 1 1 49 49 GLN HB3 H 1 1.734 . . 2 . . . . 49 Q HB3 . 16339 1 474 . 1 1 49 49 GLN HG2 H 1 2.075 . . 2 . . . . 49 Q HG2 . 16339 1 475 . 1 1 49 49 GLN HG3 H 1 2.210 . . 2 . . . . 49 Q HG3 . 16339 1 476 . 1 1 49 49 GLN CA C 13 53.766 . . 1 . . . . 49 Q CA . 16339 1 477 . 1 1 49 49 GLN CB C 13 31.865 . . 1 . . . . 49 Q CB . 16339 1 478 . 1 1 49 49 GLN N N 15 123.082 . . 1 . . . . 49 Q N . 16339 1 479 . 1 1 50 50 TRP H H 1 9.268 . . 1 . . . . 50 W HN . 16339 1 480 . 1 1 50 50 TRP HA H 1 4.744 . . 1 . . . . 50 W HA . 16339 1 481 . 1 1 50 50 TRP HB2 H 1 3.211 . . 2 . . . . 50 W HB2 . 16339 1 482 . 1 1 50 50 TRP HB3 H 1 3.341 . . 2 . . . . 50 W HB3 . 16339 1 483 . 1 1 50 50 TRP HD1 H 1 7.411 . . 1 . . . . 50 W HD1 . 16339 1 484 . 1 1 50 50 TRP HE1 H 1 10.193 . . 3 . . . . 50 W HE1 . 16339 1 485 . 1 1 50 50 TRP HE3 H 1 7.149 . . 3 . . . . 50 W HE3 . 16339 1 486 . 1 1 50 50 TRP HH2 H 1 6.880 . . 1 . . . . 50 W HH2 . 16339 1 487 . 1 1 50 50 TRP HZ2 H 1 8.080 . . 4 . . . . 50 W HZ2 . 16339 1 488 . 1 1 50 50 TRP HZ3 H 1 6.550 . . 4 . . . . 50 W HZ3 . 16339 1 489 . 1 1 50 50 TRP CA C 13 58.980 . . 1 . . . . 50 W CA . 16339 1 490 . 1 1 50 50 TRP CB C 13 30.049 . . 1 . . . . 50 W CB . 16339 1 491 . 1 1 50 50 TRP CD1 C 13 57.360 . . 3 . . . . 50 W CD1 . 16339 1 492 . 1 1 50 50 TRP CE3 C 13 50.120 . . 3 . . . . 50 W CE3 . 16339 1 493 . 1 1 50 50 TRP CH2 C 13 52.990 . . 1 . . . . 50 W CH2 . 16339 1 494 . 1 1 50 50 TRP CZ2 C 13 44.239 . . 3 . . . . 50 W CZ2 . 16339 1 495 . 1 1 50 50 TRP CZ3 C 13 50.120 . . 3 . . . . 50 W CZ3 . 16339 1 496 . 1 1 50 50 TRP N N 15 132.208 . . 1 . . . . 50 W N . 16339 1 497 . 1 1 50 50 TRP NE1 N 15 129.207 . . 1 . . . . 50 W NE1 . 16339 1 498 . 1 1 51 51 GLY H H 1 9.691 . . 1 . . . . 51 G HN . 16339 1 499 . 1 1 51 51 GLY HA2 H 1 3.745 . . 2 . . . . 51 G HA2 . 16339 1 500 . 1 1 51 51 GLY HA3 H 1 4.460 . . 2 . . . . 51 G HA3 . 16339 1 501 . 1 1 51 51 GLY CA C 13 45.380 . . 1 . . . . 51 G CA . 16339 1 502 . 1 1 51 51 GLY N N 15 114.207 . . 1 . . . . 51 G N . 16339 1 503 . 1 1 52 52 GLY H H 1 7.054 . . 1 . . . . 52 G HN . 16339 1 504 . 1 1 52 52 GLY HA2 H 1 3.264 . . 2 . . . . 52 G HA2 . 16339 1 505 . 1 1 52 52 GLY HA3 H 1 4.275 . . 2 . . . . 52 G HA3 . 16339 1 506 . 1 1 52 52 GLY CA C 13 44.050 . . 1 . . . . 52 G CA . 16339 1 507 . 1 1 52 52 GLY N N 15 107.331 . . 1 . . . . 52 G N . 16339 1 508 . 1 1 53 53 GLN H H 1 7.831 . . 1 . . . . 53 Q HN . 16339 1 509 . 1 1 53 53 GLN HA H 1 4.675 . . 1 . . . . 53 Q HA . 16339 1 510 . 1 1 53 53 GLN HB2 H 1 1.762 . . 2 . . . . 53 Q HB2 . 16339 1 511 . 1 1 53 53 GLN HB3 H 1 2.048 . . 2 . . . . 53 Q HB3 . 16339 1 512 . 1 1 53 53 GLN HG2 H 1 2.010 . . 2 . . . . 53 Q HG2 . 16339 1 513 . 1 1 53 53 GLN HG3 H 1 2.210 . . 2 . . . . 53 Q HG3 . 16339 1 514 . 1 1 53 53 GLN CA C 13 54.611 . . 1 . . . . 53 Q CA . 16339 1 515 . 1 1 53 53 GLN CB C 13 33.892 . . 1 . . . . 53 Q CB . 16339 1 516 . 1 1 53 53 GLN N N 15 109.456 . . 1 . . . . 53 Q N . 16339 1 517 . 1 1 54 54 ASN H H 1 9.909 . . 1 . . . . 54 N HN . 16339 1 518 . 1 1 54 54 ASN HA H 1 4.344 . . 1 . . . . 54 N HA . 16339 1 519 . 1 1 54 54 ASN HB2 H 1 2.892 . . 2 . . . . 54 N HB2 . 16339 1 520 . 1 1 54 54 ASN HB3 H 1 3.025 . . 2 . . . . 54 N HB3 . 16339 1 521 . 1 1 54 54 ASN CA C 13 54.568 . . 1 . . . . 54 N CA . 16339 1 522 . 1 1 54 54 ASN CB C 13 36.114 . . 1 . . . . 54 N CB . 16339 1 523 . 1 1 54 54 ASN N N 15 112.957 . . 1 . . . . 54 N N . 16339 1 524 . 1 1 55 55 PHE H H 1 8.382 . . 1 . . . . 55 F HN . 16339 1 525 . 1 1 55 55 PHE HA H 1 4.230 . . 1 . . . . 55 F HA . 16339 1 526 . 1 1 55 55 PHE HB2 H 1 2.531 . . 2 . . . . 55 F HB2 . 16339 1 527 . 1 1 55 55 PHE HB3 H 1 2.766 . . 2 . . . . 55 F HB3 . 16339 1 528 . 1 1 55 55 PHE CA C 13 61.030 . . 1 . . . . 55 F CA . 16339 1 529 . 1 1 55 55 PHE CB C 13 37.298 . . 1 . . . . 55 F CB . 16339 1 530 . 1 1 55 55 PHE N N 15 119.832 . . 1 . . . . 55 F N . 16339 1 531 . 1 1 56 56 THR H H 1 8.285 . . 1 . . . . 56 T HN . 16339 1 532 . 1 1 56 56 THR HA H 1 3.057 . . 1 . . . . 56 T HA . 16339 1 533 . 1 1 56 56 THR HB H 1 3.886 . . 1 . . . . 56 T HB . 16339 1 534 . 1 1 56 56 THR HG21 H 1 0.378 . . 1 . . . . 56 T HG21 . 16339 1 535 . 1 1 56 56 THR HG22 H 1 0.378 . . 1 . . . . 56 T HG21 . 16339 1 536 . 1 1 56 56 THR HG23 H 1 0.378 . . 1 . . . . 56 T HG21 . 16339 1 537 . 1 1 56 56 THR CA C 13 65.311 . . 1 . . . . 56 T CA . 16339 1 538 . 1 1 56 56 THR CB C 13 68.796 . . 1 . . . . 56 T CB . 16339 1 539 . 1 1 56 56 THR CG2 C 13 20.740 . . 1 . . . . 56 T CG2 . 16339 1 540 . 1 1 56 56 THR N N 15 110.582 . . 1 . . . . 56 T N . 16339 1 541 . 1 1 57 57 GLU H H 1 7.274 . . 1 . . . . 57 E HN . 16339 1 542 . 1 1 57 57 GLU HA H 1 4.069 . . 1 . . . . 57 E HA . 16339 1 543 . 1 1 57 57 GLU HB2 H 1 2.125 . . 2 . . . . 57 E HB2 . 16339 1 544 . 1 1 57 57 GLU HB3 H 1 2.125 . . 2 . . . . 57 E HB3 . 16339 1 545 . 1 1 57 57 GLU HG2 H 1 2.310 . . 2 . . . . 57 E HG2 . 16339 1 546 . 1 1 57 57 GLU HG3 H 1 2.310 . . 2 . . . . 57 E HG3 . 16339 1 547 . 1 1 57 57 GLU CA C 13 58.361 . . 1 . . . . 57 E CA . 16339 1 548 . 1 1 57 57 GLU CB C 13 30.084 . . 1 . . . . 57 E CB . 16339 1 549 . 1 1 57 57 GLU CG C 13 36.500 . . 1 . . . . 57 E CG . 16339 1 550 . 1 1 57 57 GLU N N 15 118.707 . . 1 . . . . 57 E N . 16339 1 551 . 1 1 58 58 THR H H 1 7.604 . . 1 . . . . 58 T HN . 16339 1 552 . 1 1 58 58 THR HA H 1 4.578 . . 1 . . . . 58 T HA . 16339 1 553 . 1 1 58 58 THR HB H 1 4.441 . . 1 . . . . 58 T HB . 16339 1 554 . 1 1 58 58 THR HG21 H 1 1.130 . . 1 . . . . 58 T HG21 . 16339 1 555 . 1 1 58 58 THR HG22 H 1 1.130 . . 1 . . . . 58 T HG21 . 16339 1 556 . 1 1 58 58 THR HG23 H 1 1.130 . . 1 . . . . 58 T HG21 . 16339 1 557 . 1 1 58 58 THR CA C 13 59.519 . . 1 . . . . 58 T CA . 16339 1 558 . 1 1 58 58 THR CB C 13 67.791 . . 1 . . . . 58 T CB . 16339 1 559 . 1 1 58 58 THR CG2 C 13 21.700 . . 1 . . . . 58 T CG2 . 16339 1 560 . 1 1 58 58 THR N N 15 107.206 . . 1 . . . . 58 T N . 16339 1 561 . 1 1 59 59 ALA H H 1 6.974 . . 1 . . . . 59 A HN . 16339 1 562 . 1 1 59 59 ALA HA H 1 5.800 . . 1 . . . . 59 A HA . 16339 1 563 . 1 1 59 59 ALA HB1 H 1 1.250 . . 1 . . . . 59 A HB1 . 16339 1 564 . 1 1 59 59 ALA HB2 H 1 1.250 . . 1 . . . . 59 A HB1 . 16339 1 565 . 1 1 59 59 ALA HB3 H 1 1.250 . . 1 . . . . 59 A HB1 . 16339 1 566 . 1 1 59 59 ALA CA C 13 49.759 . . 1 . . . . 59 A CA . 16339 1 567 . 1 1 59 59 ALA CB C 13 24.638 . . 1 . . . . 59 A CB . 16339 1 568 . 1 1 59 59 ALA N N 15 120.957 . . 1 . . . . 59 A N . 16339 1 569 . 1 1 60 60 GLU H H 1 9.174 . . 1 . . . . 60 E HN . 16339 1 570 . 1 1 60 60 GLU HA H 1 4.591 . . 1 . . . . 60 E HA . 16339 1 571 . 1 1 60 60 GLU HB2 H 1 1.447 . . 2 . . . . 60 E HB2 . 16339 1 572 . 1 1 60 60 GLU HB3 H 1 1.813 . . 2 . . . . 60 E HB3 . 16339 1 573 . 1 1 60 60 GLU HG2 H 1 1.890 . . 2 . . . . 60 E HG2 . 16339 1 574 . 1 1 60 60 GLU HG3 H 1 2.020 . . 2 . . . . 60 E HG3 . 16339 1 575 . 1 1 60 60 GLU CA C 13 54.127 . . 1 . . . . 60 E CA . 16339 1 576 . 1 1 60 60 GLU CB C 13 33.894 . . 1 . . . . 60 E CB . 16339 1 577 . 1 1 60 60 GLU CG C 13 36.110 . . 1 . . . . 60 E CG . 16339 1 578 . 1 1 60 60 GLU N N 15 118.207 . . 1 . . . . 60 E N . 16339 1 579 . 1 1 61 61 ASP H H 1 8.849 . . 1 . . . . 61 D HN . 16339 1 580 . 1 1 61 61 ASP HA H 1 4.135 . . 1 . . . . 61 D HA . 16339 1 581 . 1 1 61 61 ASP HB2 H 1 2.345 . . 2 . . . . 61 D HB2 . 16339 1 582 . 1 1 61 61 ASP HB3 H 1 2.865 . . 2 . . . . 61 D HB3 . 16339 1 583 . 1 1 61 61 ASP CA C 13 54.410 . . 1 . . . . 61 D CA . 16339 1 584 . 1 1 61 61 ASP CB C 13 39.380 . . 1 . . . . 61 D CB . 16339 1 585 . 1 1 61 61 ASP N N 15 119.832 . . 1 . . . . 61 D N . 16339 1 586 . 1 1 62 62 ILE H H 1 8.349 . . 1 . . . . 62 I HN . 16339 1 587 . 1 1 62 62 ILE HA H 1 4.572 . . 1 . . . . 62 I HA . 16339 1 588 . 1 1 62 62 ILE HB H 1 1.710 . . 1 . . . . 62 I HB . 16339 1 589 . 1 1 62 62 ILE HD11 H 1 0.835 . . 1 . . . . 62 I HD11 . 16339 1 590 . 1 1 62 62 ILE HD12 H 1 0.835 . . 1 . . . . 62 I HD11 . 16339 1 591 . 1 1 62 62 ILE HD13 H 1 0.835 . . 1 . . . . 62 I HD11 . 16339 1 592 . 1 1 62 62 ILE HG12 H 1 0.835 . . 1 . . . . 62 I HG12 . 16339 1 593 . 1 1 62 62 ILE HG13 H 1 1.575 . . 1 . . . . 62 I HG13 . 16339 1 594 . 1 1 62 62 ILE HG21 H 1 1.060 . . 1 . . . . 62 I HG21 . 16339 1 595 . 1 1 62 62 ILE HG22 H 1 1.060 . . 1 . . . . 62 I HG21 . 16339 1 596 . 1 1 62 62 ILE HG23 H 1 1.060 . . 1 . . . . 62 I HG21 . 16339 1 597 . 1 1 62 62 ILE CA C 13 62.633 . . 1 . . . . 62 I CA . 16339 1 598 . 1 1 62 62 ILE CB C 13 38.081 . . 1 . . . . 62 I CB . 16339 1 599 . 1 1 62 62 ILE CD1 C 13 14.745 . . 1 . . . . 62 I CD1 . 16339 1 600 . 1 1 62 62 ILE CG1 C 13 28.615 . . 1 . . . . 62 I CG1 . 16339 1 601 . 1 1 62 62 ILE CG2 C 13 18.870 . . 1 . . . . 62 I CG2 . 16339 1 602 . 1 1 62 62 ILE N N 15 120.107 . . 1 . . . . 62 I N . 16339 1 603 . 1 1 63 63 ARG H H 1 9.729 . . 1 . . . . 63 R HN . 16339 1 604 . 1 1 63 63 ARG HA H 1 4.705 . . 1 . . . . 63 R HA . 16339 1 605 . 1 1 63 63 ARG HB2 H 1 1.699 . . 2 . . . . 63 R HB2 . 16339 1 606 . 1 1 63 63 ARG HB3 H 1 1.811 . . 2 . . . . 63 R HB3 . 16339 1 607 . 1 1 63 63 ARG HD2 H 1 2.942 . . 2 . . . . 63 R HD2 . 16339 1 608 . 1 1 63 63 ARG HD3 H 1 3.285 . . 2 . . . . 63 R HD3 . 16339 1 609 . 1 1 63 63 ARG HE H 1 7.055 . . 1 . . . . 63 R HE . 16339 1 610 . 1 1 63 63 ARG HG2 H 1 1.408 . . 2 . . . . 63 R HG2 . 16339 1 611 . 1 1 63 63 ARG HG3 H 1 1.665 . . 2 . . . . 63 R HG3 . 16339 1 612 . 1 1 63 63 ARG CA C 13 55.163 . . 1 . . . . 63 R CA . 16339 1 613 . 1 1 63 63 ARG CB C 13 33.643 . . 1 . . . . 63 R CB . 16339 1 614 . 1 1 63 63 ARG CD C 13 43.985 . . 1 . . . . 63 R CD . 16339 1 615 . 1 1 63 63 ARG CG C 13 26.365 . . 1 . . . . 63 R CG . 16339 1 616 . 1 1 63 63 ARG N N 15 128.708 . . 1 . . . . 63 R N . 16339 1 617 . 1 1 63 63 ARG NE N 15 118.455 . . 1 . . . . 63 R NE . 16339 1 618 . 1 1 64 64 PHE H H 1 8.743 . . 1 . . . . 64 F HN . 16339 1 619 . 1 1 64 64 PHE HA H 1 5.428 . . 1 . . . . 64 F HA . 16339 1 620 . 1 1 64 64 PHE HB2 H 1 2.840 . . 2 . . . . 64 F HB2 . 16339 1 621 . 1 1 64 64 PHE HB3 H 1 3.055 . . 2 . . . . 64 F HB3 . 16339 1 622 . 1 1 64 64 PHE HE1 H 1 6.999 . . 3 . . . . 64 F HE1 . 16339 1 623 . 1 1 64 64 PHE CA C 13 55.109 . . 1 . . . . 64 F CA . 16339 1 624 . 1 1 64 64 PHE CB C 13 43.376 . . 1 . . . . 64 F CB . 16339 1 625 . 1 1 64 64 PHE CE1 C 13 62.000 . . 3 . . . . 64 F CE1 . 16339 1 626 . 1 1 64 64 PHE N N 15 121.582 . . 1 . . . . 64 F N . 16339 1 627 . 1 1 65 65 HIS H H 1 8.395 . . 1 . . . . 65 H HN . 16339 1 628 . 1 1 65 65 HIS HA H 1 4.865 . . 1 . . . . 65 H HA . 16339 1 629 . 1 1 65 65 HIS HB2 H 1 3.030 . . 2 . . . . 65 H HB2 . 16339 1 630 . 1 1 65 65 HIS HB3 H 1 3.030 . . 2 . . . . 65 H HB3 . 16339 1 631 . 1 1 65 65 HIS CA C 13 51.285 . . 1 . . . . 65 H CA . 16339 1 632 . 1 1 65 65 HIS CB C 13 31.282 . . 1 . . . . 65 H CB . 16339 1 633 . 1 1 65 65 HIS N N 15 128.083 . . 1 . . . . 65 H N . 16339 1 634 . 1 1 66 66 PRO HA H 1 3.743 . . 1 . . . . 66 P HA . 16339 1 635 . 1 1 66 66 PRO HB2 H 1 1.875 . . 2 . . . . 66 P HB2 . 16339 1 636 . 1 1 66 66 PRO HB3 H 1 2.239 . . 2 . . . . 66 P HB3 . 16339 1 637 . 1 1 66 66 PRO HD2 H 1 3.025 . . 2 . . . . 66 P HD2 . 16339 1 638 . 1 1 66 66 PRO HD3 H 1 3.565 . . 2 . . . . 66 P HD3 . 16339 1 639 . 1 1 66 66 PRO HG2 H 1 1.840 . . 2 . . . . 66 P HG2 . 16339 1 640 . 1 1 66 66 PRO HG3 H 1 1.939 . . 2 . . . . 66 P HG3 . 16339 1 641 . 1 1 66 66 PRO CA C 13 63.747 . . 1 . . . . 66 P CA . 16339 1 642 . 1 1 66 66 PRO CB C 13 32.871 . . 1 . . . . 66 P CB . 16339 1 643 . 1 1 66 66 PRO CD C 13 50.730 . . 1 . . . . 66 P CD . 16339 1 644 . 1 1 66 66 PRO CG C 13 26.740 . . 1 . . . . 66 P CG . 16339 1 645 . 1 1 67 67 LYS H H 1 8.243 . . 1 . . . . 67 K HN . 16339 1 646 . 1 1 67 67 LYS HA H 1 3.870 . . 1 . . . . 67 K HA . 16339 1 647 . 1 1 67 67 LYS HB2 H 1 1.537 . . 2 . . . . 67 K HB2 . 16339 1 648 . 1 1 67 67 LYS HB3 H 1 1.537 . . 2 . . . . 67 K HB3 . 16339 1 649 . 1 1 67 67 LYS HD2 H 1 1.595 . . 2 . . . . 67 K HD2 . 16339 1 650 . 1 1 67 67 LYS HD3 H 1 1.595 . . 2 . . . . 67 K HD3 . 16339 1 651 . 1 1 67 67 LYS HE2 H 1 2.910 . . 2 . . . . 67 K HE2 . 16339 1 652 . 1 1 67 67 LYS HE3 H 1 2.910 . . 2 . . . . 67 K HE3 . 16339 1 653 . 1 1 67 67 LYS HG2 H 1 1.190 . . 2 . . . . 67 K HG2 . 16339 1 654 . 1 1 67 67 LYS HG3 H 1 1.190 . . 2 . . . . 67 K HG3 . 16339 1 655 . 1 1 67 67 LYS CA C 13 54.341 . . 1 . . . . 67 K CA . 16339 1 656 . 1 1 67 67 LYS CB C 13 33.963 . . 1 . . . . 67 K CB . 16339 1 657 . 1 1 67 67 LYS CD C 13 29.740 . . 1 . . . . 67 K CD . 16339 1 658 . 1 1 67 67 LYS CE C 13 42.110 . . 1 . . . . 67 K CE . 16339 1 659 . 1 1 67 67 LYS CG C 13 24.865 . . 1 . . . . 67 K CG . 16339 1 660 . 1 1 67 67 LYS N N 15 118.957 . . 1 . . . . 67 K N . 16339 1 661 . 1 1 68 68 GLU H H 1 8.978 . . 1 . . . . 68 E HN . 16339 1 662 . 1 1 68 68 GLU HA H 1 4.110 . . 1 . . . . 68 E HA . 16339 1 663 . 1 1 68 68 GLU HB2 H 1 1.900 . . 2 . . . . 68 E HB2 . 16339 1 664 . 1 1 68 68 GLU HB3 H 1 2.043 . . 2 . . . . 68 E HB3 . 16339 1 665 . 1 1 68 68 GLU HG2 H 1 2.050 . . 2 . . . . 68 E HG2 . 16339 1 666 . 1 1 68 68 GLU HG3 H 1 2.090 . . 2 . . . . 68 E HG3 . 16339 1 667 . 1 1 68 68 GLU CA C 13 57.308 . . 1 . . . . 68 E CA . 16339 1 668 . 1 1 68 68 GLU CB C 13 31.197 . . 1 . . . . 68 E CB . 16339 1 669 . 1 1 68 68 GLU CG C 13 37.610 . . 1 . . . . 68 E CG . 16339 1 670 . 1 1 68 68 GLU N N 15 125.958 . . 1 . . . . 68 E N . 16339 1 671 . 1 1 69 69 GLY H H 1 8.665 . . 1 . . . . 69 G HN . 16339 1 672 . 1 1 69 69 GLY HA2 H 1 3.878 . . 2 . . . . 69 G HA2 . 16339 1 673 . 1 1 69 69 GLY HA3 H 1 4.141 . . 2 . . . . 69 G HA3 . 16339 1 674 . 1 1 69 69 GLY CA C 13 44.786 . . 1 . . . . 69 G CA . 16339 1 675 . 1 1 69 69 GLY N N 15 113.081 . . 1 . . . . 69 G N . 16339 1 676 . 1 1 70 70 ALA H H 1 8.625 . . 1 . . . . 70 A HN . 16339 1 677 . 1 1 70 70 ALA HA H 1 4.131 . . 1 . . . . 70 A HA . 16339 1 678 . 1 1 70 70 ALA HB1 H 1 1.404 . . 1 . . . . 70 A HB1 . 16339 1 679 . 1 1 70 70 ALA HB2 H 1 1.404 . . 1 . . . . 70 A HB1 . 16339 1 680 . 1 1 70 70 ALA HB3 H 1 1.404 . . 1 . . . . 70 A HB1 . 16339 1 681 . 1 1 70 70 ALA CA C 13 54.311 . . 1 . . . . 70 A CA . 16339 1 682 . 1 1 70 70 ALA CB C 13 18.285 . . 1 . . . . 70 A CB . 16339 1 683 . 1 1 70 70 ALA N N 15 124.208 . . 1 . . . . 70 A N . 16339 1 684 . 1 1 71 71 ALA H H 1 8.434 . . 1 . . . . 71 A HN . 16339 1 685 . 1 1 71 71 ALA HA H 1 4.349 . . 1 . . . . 71 A HA . 16339 1 686 . 1 1 71 71 ALA HB1 H 1 1.419 . . 1 . . . . 71 A HB1 . 16339 1 687 . 1 1 71 71 ALA HB2 H 1 1.419 . . 1 . . . . 71 A HB1 . 16339 1 688 . 1 1 71 71 ALA HB3 H 1 1.419 . . 1 . . . . 71 A HB1 . 16339 1 689 . 1 1 71 71 ALA CA C 13 51.948 . . 1 . . . . 71 A CA . 16339 1 690 . 1 1 71 71 ALA CB C 13 18.375 . . 1 . . . . 71 A CB . 16339 1 691 . 1 1 71 71 ALA N N 15 117.457 . . 1 . . . . 71 A N . 16339 1 692 . 1 1 72 72 GLU H H 1 7.919 . . 1 . . . . 72 E HN . 16339 1 693 . 1 1 72 72 GLU HA H 1 3.268 . . 1 . . . . 72 E HA . 16339 1 694 . 1 1 72 72 GLU HB2 H 1 1.782 . . 2 . . . . 72 E HB2 . 16339 1 695 . 1 1 72 72 GLU HB3 H 1 2.120 . . 2 . . . . 72 E HB3 . 16339 1 696 . 1 1 72 72 GLU HG2 H 1 2.005 . . 2 . . . . 72 E HG2 . 16339 1 697 . 1 1 72 72 GLU HG3 H 1 2.220 . . 2 . . . . 72 E HG3 . 16339 1 698 . 1 1 72 72 GLU CA C 13 57.031 . . 1 . . . . 72 E CA . 16339 1 699 . 1 1 72 72 GLU CB C 13 27.906 . . 1 . . . . 72 E CB . 16339 1 700 . 1 1 72 72 GLU CG C 13 36.860 . . 1 . . . . 72 E CG . 16339 1 701 . 1 1 72 72 GLU N N 15 117.582 . . 1 . . . . 72 E N . 16339 1 702 . 1 1 73 73 GLN H H 1 7.905 . . 1 . . . . 73 Q HN . 16339 1 703 . 1 1 73 73 GLN HA H 1 4.623 . . 1 . . . . 73 Q HA . 16339 1 704 . 1 1 73 73 GLN HB2 H 1 1.755 . . 2 . . . . 73 Q HB2 . 16339 1 705 . 1 1 73 73 GLN HB3 H 1 1.755 . . 2 . . . . 73 Q HB3 . 16339 1 706 . 1 1 73 73 GLN CA C 13 52.737 . . 1 . . . . 73 Q CA . 16339 1 707 . 1 1 73 73 GLN CB C 13 30.604 . . 1 . . . . 73 Q CB . 16339 1 708 . 1 1 73 73 GLN N N 15 118.457 . . 1 . . . . 73 Q N . 16339 1 709 . 1 1 74 74 PRO HA H 1 4.879 . . 1 . . . . 74 P HA . 16339 1 710 . 1 1 74 74 PRO HB2 H 1 2.188 . . 2 . . . . 74 P HB2 . 16339 1 711 . 1 1 74 74 PRO HB3 H 1 2.354 . . 2 . . . . 74 P HB3 . 16339 1 712 . 1 1 74 74 PRO HD2 H 1 3.555 . . 2 . . . . 74 P HD2 . 16339 1 713 . 1 1 74 74 PRO HD3 H 1 3.700 . . 2 . . . . 74 P HD3 . 16339 1 714 . 1 1 74 74 PRO HG2 H 1 1.975 . . 2 . . . . 74 P HG2 . 16339 1 715 . 1 1 74 74 PRO HG3 H 1 2.435 . . 2 . . . . 74 P HG3 . 16339 1 716 . 1 1 74 74 PRO CA C 13 61.589 . . 1 . . . . 74 P CA . 16339 1 717 . 1 1 74 74 PRO CB C 13 31.614 . . 1 . . . . 74 P CB . 16339 1 718 . 1 1 74 74 PRO CD C 13 49.235 . . 1 . . . . 74 P CD . 16339 1 719 . 1 1 74 74 PRO CG C 13 27.865 . . 1 . . . . 74 P CG . 16339 1 720 . 1 1 75 75 ILE H H 1 8.305 . . 1 . . . . 75 I HN . 16339 1 721 . 1 1 75 75 ILE HA H 1 4.722 . . 1 . . . . 75 I HA . 16339 1 722 . 1 1 75 75 ILE HB H 1 1.831 . . 1 . . . . 75 I HB . 16339 1 723 . 1 1 75 75 ILE HD11 H 1 0.765 . . 1 . . . . 75 I HD11 . 16339 1 724 . 1 1 75 75 ILE HD12 H 1 0.765 . . 1 . . . . 75 I HD11 . 16339 1 725 . 1 1 75 75 ILE HD13 H 1 0.765 . . 1 . . . . 75 I HD11 . 16339 1 726 . 1 1 75 75 ILE HG12 H 1 1.285 . . 1 . . . . 75 I HG12 . 16339 1 727 . 1 1 75 75 ILE HG13 H 1 1.365 . . 1 . . . . 75 I HG13 . 16339 1 728 . 1 1 75 75 ILE HG21 H 1 0.760 . . 1 . . . . 75 I HG21 . 16339 1 729 . 1 1 75 75 ILE HG22 H 1 0.760 . . 1 . . . . 75 I HG21 . 16339 1 730 . 1 1 75 75 ILE HG23 H 1 0.760 . . 1 . . . . 75 I HG21 . 16339 1 731 . 1 1 75 75 ILE CA C 13 58.652 . . 1 . . . . 75 I CA . 16339 1 732 . 1 1 75 75 ILE CB C 13 39.509 . . 1 . . . . 75 I CB . 16339 1 733 . 1 1 75 75 ILE CD1 C 13 17.745 . . 1 . . . . 75 I CD1 . 16339 1 734 . 1 1 75 75 ILE CG1 C 13 26.740 . . 1 . . . . 75 I CG1 . 16339 1 735 . 1 1 75 75 ILE CG2 C 13 17.745 . . 1 . . . . 75 I CG2 . 16339 1 736 . 1 1 75 75 ILE N N 15 125.958 . . 1 . . . . 75 I N . 16339 1 737 . 1 1 76 76 LEU H H 1 8.830 . . 1 . . . . 76 L HN . 16339 1 738 . 1 1 76 76 LEU HA H 1 4.998 . . 1 . . . . 76 L HA . 16339 1 739 . 1 1 76 76 LEU HB2 H 1 1.058 . . 2 . . . . 76 L HB2 . 16339 1 740 . 1 1 76 76 LEU HB3 H 1 1.583 . . 2 . . . . 76 L HB3 . 16339 1 741 . 1 1 76 76 LEU HD11 H 1 0.750 . . 2 . . . . 76 L HD11 . 16339 1 742 . 1 1 76 76 LEU HD12 H 1 0.750 . . 2 . . . . 76 L HD11 . 16339 1 743 . 1 1 76 76 LEU HD13 H 1 0.750 . . 2 . . . . 76 L HD11 . 16339 1 744 . 1 1 76 76 LEU HD21 H 1 0.195 . . 2 . . . . 76 L HD21 . 16339 1 745 . 1 1 76 76 LEU HD22 H 1 0.195 . . 2 . . . . 76 L HD21 . 16339 1 746 . 1 1 76 76 LEU HD23 H 1 0.195 . . 2 . . . . 76 L HD21 . 16339 1 747 . 1 1 76 76 LEU HG H 1 1.305 . . 1 . . . . 76 L HG . 16339 1 748 . 1 1 76 76 LEU CA C 13 53.761 . . 1 . . . . 76 L CA . 16339 1 749 . 1 1 76 76 LEU CB C 13 45.005 . . 1 . . . . 76 L CB . 16339 1 750 . 1 1 76 76 LEU CD1 C 13 25.715 . . 1 . . . . 76 L CD1 . 16339 1 751 . 1 1 76 76 LEU CD2 C 13 25.615 . . 1 . . . . 76 L CD2 . 16339 1 752 . 1 1 76 76 LEU CG C 13 27.150 . . 1 . . . . 76 L CG . 16339 1 753 . 1 1 76 76 LEU N N 15 131.458 . . 1 . . . . 76 L N . 16339 1 754 . 1 1 77 77 ARG H H 1 9.187 . . 1 . . . . 77 R HN . 16339 1 755 . 1 1 77 77 ARG HA H 1 5.554 . . 1 . . . . 77 R HA . 16339 1 756 . 1 1 77 77 ARG HB2 H 1 1.450 . . 2 . . . . 77 R HB2 . 16339 1 757 . 1 1 77 77 ARG HB3 H 1 1.847 . . 2 . . . . 77 R HB3 . 16339 1 758 . 1 1 77 77 ARG HD2 H 1 2.875 . . 2 . . . . 77 R HD2 . 16339 1 759 . 1 1 77 77 ARG HD3 H 1 3.125 . . 2 . . . . 77 R HD3 . 16339 1 760 . 1 1 77 77 ARG HE H 1 8.125 . . 1 . . . . 77 R HE . 16339 1 761 . 1 1 77 77 ARG HG2 H 1 1.478 . . 2 . . . . 77 R HG2 . 16339 1 762 . 1 1 77 77 ARG HG3 H 1 1.615 . . 2 . . . . 77 R HG3 . 16339 1 763 . 1 1 77 77 ARG CA C 13 54.301 . . 1 . . . . 77 R CA . 16339 1 764 . 1 1 77 77 ARG CB C 13 34.020 . . 1 . . . . 77 R CB . 16339 1 765 . 1 1 77 77 ARG CD C 13 43.235 . . 1 . . . . 77 R CD . 16339 1 766 . 1 1 77 77 ARG CG C 13 28.615 . . 1 . . . . 77 R CG . 16339 1 767 . 1 1 77 77 ARG N N 15 125.208 . . 1 . . . . 77 R N . 16339 1 768 . 1 1 77 77 ARG NE N 15 117.645 . . 1 . . . . 77 R NE . 16339 1 769 . 1 1 78 78 ALA H H 1 8.678 . . 1 . . . . 78 A HN . 16339 1 770 . 1 1 78 78 ALA HA H 1 4.772 . . 1 . . . . 78 A HA . 16339 1 771 . 1 1 78 78 ALA HB1 H 1 1.410 . . 1 . . . . 78 A HB1 . 16339 1 772 . 1 1 78 78 ALA HB2 H 1 1.410 . . 1 . . . . 78 A HB1 . 16339 1 773 . 1 1 78 78 ALA HB3 H 1 1.410 . . 1 . . . . 78 A HB1 . 16339 1 774 . 1 1 78 78 ALA CA C 13 51.510 . . 1 . . . . 78 A CA . 16339 1 775 . 1 1 78 78 ALA CB C 13 23.552 . . 1 . . . . 78 A CB . 16339 1 776 . 1 1 78 78 ALA N N 15 118.707 . . 1 . . . . 78 A N . 16339 1 777 . 1 1 79 79 ARG H H 1 8.690 . . 1 . . . . 79 R HN . 16339 1 778 . 1 1 79 79 ARG HA H 1 5.067 . . 1 . . . . 79 R HA . 16339 1 779 . 1 1 79 79 ARG HB2 H 1 1.445 . . 2 . . . . 79 R HB2 . 16339 1 780 . 1 1 79 79 ARG HB3 H 1 1.591 . . 2 . . . . 79 R HB3 . 16339 1 781 . 1 1 79 79 ARG HD2 H 1 3.070 . . 2 . . . . 79 R HD2 . 16339 1 782 . 1 1 79 79 ARG HD3 H 1 3.125 . . 2 . . . . 79 R HD3 . 16339 1 783 . 1 1 79 79 ARG HE H 1 7.412 . . 1 . . . . 79 R HE . 16339 1 784 . 1 1 79 79 ARG HG2 H 1 1.475 . . 2 . . . . 79 R HG2 . 16339 1 785 . 1 1 79 79 ARG HG3 H 1 1.625 . . 2 . . . . 79 R HG3 . 16339 1 786 . 1 1 79 79 ARG CA C 13 55.147 . . 1 . . . . 79 R CA . 16339 1 787 . 1 1 79 79 ARG CB C 13 30.718 . . 1 . . . . 79 R CB . 16339 1 788 . 1 1 79 79 ARG CD C 13 43.985 . . 1 . . . . 79 R CD . 16339 1 789 . 1 1 79 79 ARG CG C 13 28.235 . . 1 . . . . 79 R CG . 16339 1 790 . 1 1 79 79 ARG N N 15 118.832 . . 1 . . . . 79 R N . 16339 1 791 . 1 1 79 79 ARG NE N 15 115.145 . . 1 . . . . 79 R NE . 16339 1 792 . 1 1 80 80 LEU H H 1 8.598 . . 1 . . . . 80 L HN . 16339 1 793 . 1 1 80 80 LEU HA H 1 4.915 . . 1 . . . . 80 L HA . 16339 1 794 . 1 1 80 80 LEU HB2 H 1 0.955 . . 2 . . . . 80 L HB2 . 16339 1 795 . 1 1 80 80 LEU HB3 H 1 1.315 . . 2 . . . . 80 L HB3 . 16339 1 796 . 1 1 80 80 LEU HD11 H 1 -0.690 . . 2 . . . . 80 L HD11 . 16339 1 797 . 1 1 80 80 LEU HD12 H 1 -0.690 . . 2 . . . . 80 L HD11 . 16339 1 798 . 1 1 80 80 LEU HD13 H 1 -0.690 . . 2 . . . . 80 L HD11 . 16339 1 799 . 1 1 80 80 LEU HD21 H 1 0.360 . . 2 . . . . 80 L HD21 . 16339 1 800 . 1 1 80 80 LEU HD22 H 1 0.360 . . 2 . . . . 80 L HD21 . 16339 1 801 . 1 1 80 80 LEU HD23 H 1 0.360 . . 2 . . . . 80 L HD21 . 16339 1 802 . 1 1 80 80 LEU HG H 1 0.926 . . 1 . . . . 80 L HG . 16339 1 803 . 1 1 80 80 LEU CA C 13 52.975 . . 1 . . . . 80 L CA . 16339 1 804 . 1 1 80 80 LEU CB C 13 43.665 . . 1 . . . . 80 L CB . 16339 1 805 . 1 1 80 80 LEU CD1 C 13 23.750 . . 1 . . . . 80 L CD1 . 16339 1 806 . 1 1 80 80 LEU CD2 C 13 22.620 . . 1 . . . . 80 L CD2 . 16339 1 807 . 1 1 80 80 LEU CG C 13 26.000 . . 1 . . . . 80 L CG . 16339 1 808 . 1 1 80 80 LEU N N 15 122.707 . . 1 . . . . 80 L N . 16339 1 809 . 1 1 81 81 ARG H H 1 8.010 . . 1 . . . . 81 R HN . 16339 1 810 . 1 1 81 81 ARG HA H 1 3.625 . . 1 . . . . 81 R HA . 16339 1 811 . 1 1 81 81 ARG HB2 H 1 0.879 . . 2 . . . . 81 R HB2 . 16339 1 812 . 1 1 81 81 ARG HB3 H 1 1.232 . . 2 . . . . 81 R HB3 . 16339 1 813 . 1 1 81 81 ARG HD2 H 1 2.795 . . 2 . . . . 81 R HD2 . 16339 1 814 . 1 1 81 81 ARG HD3 H 1 2.870 . . 2 . . . . 81 R HD3 . 16339 1 815 . 1 1 81 81 ARG HE H 1 6.980 . . 1 . . . . 81 R HE . 16339 1 816 . 1 1 81 81 ARG HG2 H 1 0.370 . . 2 . . . . 81 R HG2 . 16339 1 817 . 1 1 81 81 ARG HG3 H 1 1.335 . . 2 . . . . 81 R HG3 . 16339 1 818 . 1 1 81 81 ARG CA C 13 55.978 . . 1 . . . . 81 R CA . 16339 1 819 . 1 1 81 81 ARG CB C 13 31.721 . . 1 . . . . 81 R CB . 16339 1 820 . 1 1 81 81 ARG CD C 13 43.985 . . 1 . . . . 81 R CD . 16339 1 821 . 1 1 81 81 ARG CG C 13 26.740 . . 1 . . . . 81 R CG . 16339 1 822 . 1 1 81 81 ARG N N 15 124.333 . . 1 . . . . 81 R N . 16339 1 823 . 1 1 81 81 ARG NE N 15 116.085 . . 1 . . . . 81 R NE . 16339 1 824 . 1 1 82 82 ASP H H 1 8.981 . . 1 . . . . 82 D HN . 16339 1 825 . 1 1 82 82 ASP HA H 1 4.541 . . 1 . . . . 82 D HA . 16339 1 826 . 1 1 82 82 ASP HB2 H 1 2.444 . . 2 . . . . 82 D HB2 . 16339 1 827 . 1 1 82 82 ASP HB3 H 1 3.495 . . 2 . . . . 82 D HB3 . 16339 1 828 . 1 1 82 82 ASP CA C 13 52.482 . . 1 . . . . 82 D CA . 16339 1 829 . 1 1 82 82 ASP CB C 13 41.685 . . 1 . . . . 82 D CB . 16339 1 830 . 1 1 82 82 ASP N N 15 127.458 . . 1 . . . . 82 D N . 16339 1 831 . 1 1 83 83 CYS H H 1 9.217 . . 1 . . . . 83 C HN . 16339 1 832 . 1 1 83 83 CYS HA H 1 4.182 . . 1 . . . . 83 C HA . 16339 1 833 . 1 1 83 83 CYS HB2 H 1 2.738 . . 2 . . . . 83 C HB2 . 16339 1 834 . 1 1 83 83 CYS HB3 H 1 3.066 . . 2 . . . . 83 C HB3 . 16339 1 835 . 1 1 83 83 CYS CA C 13 62.128 . . 1 . . . . 83 C CA . 16339 1 836 . 1 1 83 83 CYS CB C 13 26.932 . . 1 . . . . 83 C CB . 16339 1 837 . 1 1 83 83 CYS N N 15 115.956 . . 1 . . . . 83 C N . 16339 1 838 . 1 1 84 84 ASN H H 1 8.312 . . 1 . . . . 84 N HN . 16339 1 839 . 1 1 84 84 ASN HA H 1 4.820 . . 1 . . . . 84 N HA . 16339 1 840 . 1 1 84 84 ASN HB2 H 1 2.789 . . 2 . . . . 84 N HB2 . 16339 1 841 . 1 1 84 84 ASN HB3 H 1 2.973 . . 2 . . . . 84 N HB3 . 16339 1 842 . 1 1 84 84 ASN CA C 13 52.980 . . 1 . . . . 84 N CA . 16339 1 843 . 1 1 84 84 ASN CB C 13 39.295 . . 1 . . . . 84 N CB . 16339 1 844 . 1 1 84 84 ASN N N 15 118.707 . . 1 . . . . 84 N N . 16339 1 845 . 1 1 85 85 GLY H H 1 7.985 . . 1 . . . . 85 G HN . 16339 1 846 . 1 1 85 85 GLY HA2 H 1 3.231 . . 2 . . . . 85 G HA2 . 16339 1 847 . 1 1 85 85 GLY HA3 H 1 4.178 . . 2 . . . . 85 G HA3 . 16339 1 848 . 1 1 85 85 GLY CA C 13 45.160 . . 1 . . . . 85 G CA . 16339 1 849 . 1 1 85 85 GLY N N 15 108.081 . . 1 . . . . 85 G N . 16339 1 850 . 1 1 86 86 GLU H H 1 8.143 . . 1 . . . . 86 E HN . 16339 1 851 . 1 1 86 86 GLU HA H 1 4.328 . . 1 . . . . 86 E HA . 16339 1 852 . 1 1 86 86 GLU HB2 H 1 1.854 . . 2 . . . . 86 E HB2 . 16339 1 853 . 1 1 86 86 GLU HB3 H 1 2.005 . . 2 . . . . 86 E HB3 . 16339 1 854 . 1 1 86 86 GLU HG2 H 1 1.885 . . 2 . . . . 86 E HG2 . 16339 1 855 . 1 1 86 86 GLU HG3 H 1 2.155 . . 2 . . . . 86 E HG3 . 16339 1 856 . 1 1 86 86 GLU CA C 13 55.262 . . 1 . . . . 86 E CA . 16339 1 857 . 1 1 86 86 GLU CB C 13 30.670 . . 1 . . . . 86 E CB . 16339 1 858 . 1 1 86 86 GLU CG C 13 36.110 . . 1 . . . . 86 E CG . 16339 1 859 . 1 1 86 86 GLU N N 15 122.457 . . 1 . . . . 86 E N . 16339 1 860 . 1 1 87 87 PHE H H 1 8.764 . . 1 . . . . 87 F HN . 16339 1 861 . 1 1 87 87 PHE HA H 1 4.768 . . 1 . . . . 87 F HA . 16339 1 862 . 1 1 87 87 PHE HB2 H 1 2.415 . . 2 . . . . 87 F HB2 . 16339 1 863 . 1 1 87 87 PHE HB3 H 1 2.778 . . 2 . . . . 87 F HB3 . 16339 1 864 . 1 1 87 87 PHE CA C 13 58.414 . . 1 . . . . 87 F CA . 16339 1 865 . 1 1 87 87 PHE CB C 13 41.828 . . 1 . . . . 87 F CB . 16339 1 866 . 1 1 87 87 PHE N N 15 121.607 . . 1 . . . . 87 F N . 16339 1 867 . 1 1 88 88 HIS H H 1 8.289 . . 1 . . . . 88 H HN . 16339 1 868 . 1 1 88 88 HIS HA H 1 4.690 . . 1 . . . . 88 H HA . 16339 1 869 . 1 1 88 88 HIS HB2 H 1 2.847 . . 2 . . . . 88 H HB2 . 16339 1 870 . 1 1 88 88 HIS HB3 H 1 2.926 . . 2 . . . . 88 H HB3 . 16339 1 871 . 1 1 88 88 HIS CA C 13 53.983 . . 1 . . . . 88 H CA . 16339 1 872 . 1 1 88 88 HIS CB C 13 31.317 . . 1 . . . . 88 H CB . 16339 1 873 . 1 1 88 88 HIS N N 15 116.082 . . 1 . . . . 88 H N . 16339 1 874 . 1 1 89 89 ASP H H 1 9.049 . . 1 . . . . 89 D HN . 16339 1 875 . 1 1 89 89 ASP HA H 1 4.859 . . 1 . . . . 89 D HA . 16339 1 876 . 1 1 89 89 ASP HB2 H 1 2.556 . . 2 . . . . 89 D HB2 . 16339 1 877 . 1 1 89 89 ASP HB3 H 1 2.720 . . 2 . . . . 89 D HB3 . 16339 1 878 . 1 1 89 89 ASP CA C 13 55.830 . . 1 . . . . 89 D CA . 16339 1 879 . 1 1 89 89 ASP CB C 13 41.081 . . 1 . . . . 89 D CB . 16339 1 880 . 1 1 89 89 ASP N N 15 125.958 . . 1 . . . . 89 D N . 16339 1 881 . 1 1 90 90 ARG H H 1 9.039 . . 1 . . . . 90 R HN . 16339 1 882 . 1 1 90 90 ARG HA H 1 4.936 . . 1 . . . . 90 R HA . 16339 1 883 . 1 1 90 90 ARG HB2 H 1 1.592 . . 2 . . . . 90 R HB2 . 16339 1 884 . 1 1 90 90 ARG HB3 H 1 2.034 . . 2 . . . . 90 R HB3 . 16339 1 885 . 1 1 90 90 ARG HD2 H 1 3.155 . . 2 . . . . 90 R HD2 . 16339 1 886 . 1 1 90 90 ARG HD3 H 1 3.620 . . 2 . . . . 90 R HD3 . 16339 1 887 . 1 1 90 90 ARG HE H 1 7.055 . . 1 . . . . 90 R HE . 16339 1 888 . 1 1 90 90 ARG HG2 H 1 1.520 . . 2 . . . . 90 R HG2 . 16339 1 889 . 1 1 90 90 ARG HG3 H 1 1.705 . . 2 . . . . 90 R HG3 . 16339 1 890 . 1 1 90 90 ARG CA C 13 53.810 . . 1 . . . . 90 R CA . 16339 1 891 . 1 1 90 90 ARG CB C 13 35.473 . . 1 . . . . 90 R CB . 16339 1 892 . 1 1 90 90 ARG CD C 13 43.235 . . 1 . . . . 90 R CD . 16339 1 893 . 1 1 90 90 ARG CG C 13 25.620 . . 1 . . . . 90 R CG . 16339 1 894 . 1 1 90 90 ARG N N 15 125.208 . . 1 . . . . 90 R N . 16339 1 895 . 1 1 90 90 ARG NE N 15 117.205 . . 1 . . . . 90 R NE . 16339 1 896 . 1 1 91 91 ASP H H 1 8.568 . . 1 . . . . 91 D HN . 16339 1 897 . 1 1 91 91 ASP HA H 1 5.855 . . 1 . . . . 91 D HA . 16339 1 898 . 1 1 91 91 ASP HB2 H 1 2.409 . . 2 . . . . 91 D HB2 . 16339 1 899 . 1 1 91 91 ASP HB3 H 1 2.555 . . 2 . . . . 91 D HB3 . 16339 1 900 . 1 1 91 91 ASP CA C 13 52.628 . . 1 . . . . 91 D CA . 16339 1 901 . 1 1 91 91 ASP CB C 13 45.205 . . 1 . . . . 91 D CB . 16339 1 902 . 1 1 91 91 ASP N N 15 117.958 . . 1 . . . . 91 D N . 16339 1 903 . 1 1 92 92 VAL H H 1 9.041 . . 1 . . . . 92 V HN . 16339 1 904 . 1 1 92 92 VAL HA H 1 4.396 . . 1 . . . . 92 V HA . 16339 1 905 . 1 1 92 92 VAL HB H 1 1.418 . . 1 . . . . 92 V HB . 16339 1 906 . 1 1 92 92 VAL HG11 H 1 0.595 . . 2 . . . . 92 V HG11 . 16339 1 907 . 1 1 92 92 VAL HG12 H 1 0.595 . . 2 . . . . 92 V HG11 . 16339 1 908 . 1 1 92 92 VAL HG13 H 1 0.595 . . 2 . . . . 92 V HG11 . 16339 1 909 . 1 1 92 92 VAL HG21 H 1 0.595 . . 2 . . . . 92 V HG21 . 16339 1 910 . 1 1 92 92 VAL HG22 H 1 0.595 . . 2 . . . . 92 V HG21 . 16339 1 911 . 1 1 92 92 VAL HG23 H 1 0.595 . . 2 . . . . 92 V HG21 . 16339 1 912 . 1 1 92 92 VAL CA C 13 60.483 . . 1 . . . . 92 V CA . 16339 1 913 . 1 1 92 92 VAL CB C 13 34.315 . . 1 . . . . 92 V CB . 16339 1 914 . 1 1 92 92 VAL CG1 C 13 21.490 . . 1 . . . . 92 V CG1 . 16339 1 915 . 1 1 92 92 VAL CG2 C 13 21.490 . . 1 . . . . 92 V CG2 . 16339 1 916 . 1 1 92 92 VAL N N 15 119.082 . . 1 . . . . 92 V N . 16339 1 917 . 1 1 93 93 ASN H H 1 8.400 . . 1 . . . . 93 N HN . 16339 1 918 . 1 1 93 93 ASN HA H 1 4.736 . . 1 . . . . 93 N HA . 16339 1 919 . 1 1 93 93 ASN HB2 H 1 2.914 . . 2 . . . . 93 N HB2 . 16339 1 920 . 1 1 93 93 ASN HB3 H 1 2.914 . . 2 . . . . 93 N HB3 . 16339 1 921 . 1 1 93 93 ASN CA C 13 52.401 . . 1 . . . . 93 N CA . 16339 1 922 . 1 1 93 93 ASN CB C 13 38.780 . . 1 . . . . 93 N CB . 16339 1 923 . 1 1 93 93 ASN N N 15 126.333 . . 1 . . . . 93 N N . 16339 1 924 . 1 1 94 94 LEU H H 1 9.049 . . 1 . . . . 94 L HN . 16339 1 925 . 1 1 94 94 LEU HA H 1 4.813 . . 1 . . . . 94 L HA . 16339 1 926 . 1 1 94 94 LEU HB2 H 1 2.057 . . 2 . . . . 94 L HB2 . 16339 1 927 . 1 1 94 94 LEU HB3 H 1 2.057 . . 2 . . . . 94 L HB3 . 16339 1 928 . 1 1 94 94 LEU HD11 H 1 0.670 . . 2 . . . . 94 L HD11 . 16339 1 929 . 1 1 94 94 LEU HD12 H 1 0.670 . . 2 . . . . 94 L HD11 . 16339 1 930 . 1 1 94 94 LEU HD13 H 1 0.670 . . 2 . . . . 94 L HD11 . 16339 1 931 . 1 1 94 94 LEU HD21 H 1 0.670 . . 2 . . . . 94 L HD21 . 16339 1 932 . 1 1 94 94 LEU HD22 H 1 0.670 . . 2 . . . . 94 L HD21 . 16339 1 933 . 1 1 94 94 LEU HD23 H 1 0.670 . . 2 . . . . 94 L HD21 . 16339 1 934 . 1 1 94 94 LEU HG H 1 0.830 . . 1 . . . . 94 L HG . 16339 1 935 . 1 1 94 94 LEU CA C 13 53.876 . . 1 . . . . 94 L CA . 16339 1 936 . 1 1 94 94 LEU CB C 13 40.397 . . 1 . . . . 94 L CB . 16339 1 937 . 1 1 94 94 LEU CD1 C 13 23.000 . . 1 . . . . 94 L CD1 . 16339 1 938 . 1 1 94 94 LEU CD2 C 13 23.000 . . 1 . . . . 94 L CD2 . 16339 1 939 . 1 1 94 94 LEU CG C 13 27.115 . . 1 . . . . 94 L CG . 16339 1 940 . 1 1 94 94 LEU N N 15 125.876 . . 1 . . . . 94 L N . 16339 1 941 . 1 1 95 95 ASN H H 1 9.096 . . 1 . . . . 95 N HN . 16339 1 942 . 1 1 95 95 ASN HA H 1 4.536 . . 1 . . . . 95 N HA . 16339 1 943 . 1 1 95 95 ASN HB2 H 1 2.923 . . 2 . . . . 95 N HB2 . 16339 1 944 . 1 1 95 95 ASN HB3 H 1 3.195 . . 2 . . . . 95 N HB3 . 16339 1 945 . 1 1 95 95 ASN HD21 H 1 7.401 . . 2 . . . . 95 N HD21 . 16339 1 946 . 1 1 95 95 ASN HD22 H 1 6.758 . . 2 . . . . 95 N HD22 . 16339 1 947 . 1 1 95 95 ASN CA C 13 54.271 . . 1 . . . . 95 N CA . 16339 1 948 . 1 1 95 95 ASN CB C 13 37.228 . . 1 . . . . 95 N CB . 16339 1 949 . 1 1 95 95 ASN N N 15 117.832 . . 1 . . . . 95 N N . 16339 1 950 . 1 1 95 95 ASN ND2 N 15 109.082 . . 1 . . . . 95 N ND2 . 16339 1 951 . 1 1 96 96 ARG H H 1 6.319 . . 1 . . . . 96 R HN . 16339 1 952 . 1 1 96 96 ARG HA H 1 4.223 . . 1 . . . . 96 R HA . 16339 1 953 . 1 1 96 96 ARG HB2 H 1 0.073 . . 2 . . . . 96 R HB2 . 16339 1 954 . 1 1 96 96 ARG HB3 H 1 1.575 . . 2 . . . . 96 R HB3 . 16339 1 955 . 1 1 96 96 ARG HD2 H 1 2.045 . . 2 . . . . 96 R HD2 . 16339 1 956 . 1 1 96 96 ARG HD3 H 1 2.585 . . 2 . . . . 96 R HD3 . 16339 1 957 . 1 1 96 96 ARG HE H 1 7.775 . . 1 . . . . 96 R HE . 16339 1 958 . 1 1 96 96 ARG HG2 H 1 0.755 . . 2 . . . . 96 R HG2 . 16339 1 959 . 1 1 96 96 ARG HG3 H 1 0.950 . . 2 . . . . 96 R HG3 . 16339 1 960 . 1 1 96 96 ARG CA C 13 55.714 . . 1 . . . . 96 R CA . 16339 1 961 . 1 1 96 96 ARG CB C 13 29.058 . . 1 . . . . 96 R CB . 16339 1 962 . 1 1 96 96 ARG CD C 13 40.985 . . 1 . . . . 96 R CD . 16339 1 963 . 1 1 96 96 ARG CG C 13 25.990 . . 1 . . . . 96 R CG . 16339 1 964 . 1 1 96 96 ARG N N 15 115.207 . . 1 . . . . 96 R N . 16339 1 965 . 1 1 96 96 ARG NE N 15 115.645 . . 1 . . . . 96 R NE . 16339 1 966 . 1 1 97 97 ILE H H 1 7.897 . . 1 . . . . 97 I HN . 16339 1 967 . 1 1 97 97 ILE HA H 1 4.281 . . 1 . . . . 97 I HA . 16339 1 968 . 1 1 97 97 ILE HB H 1 2.089 . . 1 . . . . 97 I HB . 16339 1 969 . 1 1 97 97 ILE HD11 H 1 0.915 . . 1 . . . . 97 I HD11 . 16339 1 970 . 1 1 97 97 ILE HD12 H 1 0.915 . . 1 . . . . 97 I HD11 . 16339 1 971 . 1 1 97 97 ILE HD13 H 1 0.915 . . 1 . . . . 97 I HD11 . 16339 1 972 . 1 1 97 97 ILE HG12 H 1 0.909 . . 1 . . . . 97 I HG12 . 16339 1 973 . 1 1 97 97 ILE HG13 H 1 1.795 . . 1 . . . . 97 I HG13 . 16339 1 974 . 1 1 97 97 ILE HG21 H 1 0.585 . . 1 . . . . 97 I HG21 . 16339 1 975 . 1 1 97 97 ILE HG22 H 1 0.585 . . 1 . . . . 97 I HG21 . 16339 1 976 . 1 1 97 97 ILE HG23 H 1 0.585 . . 1 . . . . 97 I HG21 . 16339 1 977 . 1 1 97 97 ILE CA C 13 61.474 . . 1 . . . . 97 I CA . 16339 1 978 . 1 1 97 97 ILE CB C 13 37.800 . . 1 . . . . 97 I CB . 16339 1 979 . 1 1 97 97 ILE CD1 C 13 14.745 . . 1 . . . . 97 I CD1 . 16339 1 980 . 1 1 97 97 ILE CG1 C 13 28.990 . . 1 . . . . 97 I CG1 . 16339 1 981 . 1 1 97 97 ILE CG2 C 13 18.870 . . 1 . . . . 97 I CG2 . 16339 1 982 . 1 1 97 97 ILE N N 15 119.957 . . 1 . . . . 97 I N . 16339 1 983 . 1 1 98 98 GLN H H 1 9.106 . . 1 . . . . 98 Q HN . 16339 1 984 . 1 1 98 98 GLN HA H 1 4.612 . . 1 . . . . 98 Q HA . 16339 1 985 . 1 1 98 98 GLN HB2 H 1 1.583 . . 2 . . . . 98 Q HB2 . 16339 1 986 . 1 1 98 98 GLN HB3 H 1 1.999 . . 2 . . . . 98 Q HB3 . 16339 1 987 . 1 1 98 98 GLN CA C 13 53.889 . . 1 . . . . 98 Q CA . 16339 1 988 . 1 1 98 98 GLN CB C 13 31.671 . . 1 . . . . 98 Q CB . 16339 1 989 . 1 1 98 98 GLN N N 15 125.458 . . 1 . . . . 98 Q N . 16339 1 990 . 1 1 99 99 ASN H H 1 8.747 . . 1 . . . . 99 N HN . 16339 1 991 . 1 1 99 99 ASN HA H 1 5.155 . . 1 . . . . 99 N HA . 16339 1 992 . 1 1 99 99 ASN HB2 H 1 2.477 . . 2 . . . . 99 N HB2 . 16339 1 993 . 1 1 99 99 ASN HB3 H 1 2.799 . . 2 . . . . 99 N HB3 . 16339 1 994 . 1 1 99 99 ASN HD21 H 1 7.703 . . 2 . . . . 99 N HD21 . 16339 1 995 . 1 1 99 99 ASN HD22 H 1 7.537 . . 2 . . . . 99 N HD22 . 16339 1 996 . 1 1 99 99 ASN CA C 13 51.146 . . 1 . . . . 99 N CA . 16339 1 997 . 1 1 99 99 ASN CB C 13 38.710 . . 1 . . . . 99 N CB . 16339 1 998 . 1 1 99 99 ASN N N 15 117.707 . . 1 . . . . 99 N N . 16339 1 999 . 1 1 99 99 ASN ND2 N 15 106.645 . . 1 . . . . 99 N ND2 . 16339 1 1000 . 1 1 100 100 VAL H H 1 9.158 . . 1 . . . . 100 V HN . 16339 1 1001 . 1 1 100 100 VAL HA H 1 4.117 . . 1 . . . . 100 V HA . 16339 1 1002 . 1 1 100 100 VAL HB H 1 1.915 . . 1 . . . . 100 V HB . 16339 1 1003 . 1 1 100 100 VAL HG11 H 1 0.735 . . 2 . . . . 100 V HG11 . 16339 1 1004 . 1 1 100 100 VAL HG12 H 1 0.735 . . 2 . . . . 100 V HG11 . 16339 1 1005 . 1 1 100 100 VAL HG13 H 1 0.735 . . 2 . . . . 100 V HG11 . 16339 1 1006 . 1 1 100 100 VAL HG21 H 1 0.830 . . 2 . . . . 100 V HG21 . 16339 1 1007 . 1 1 100 100 VAL HG22 H 1 0.830 . . 2 . . . . 100 V HG21 . 16339 1 1008 . 1 1 100 100 VAL HG23 H 1 0.830 . . 2 . . . . 100 V HG21 . 16339 1 1009 . 1 1 100 100 VAL CA C 13 61.245 . . 1 . . . . 100 V CA . 16339 1 1010 . 1 1 100 100 VAL CB C 13 31.700 . . 1 . . . . 100 V CB . 16339 1 1011 . 1 1 100 100 VAL CG1 C 13 20.745 . . 1 . . . . 100 V CG1 . 16339 1 1012 . 1 1 100 100 VAL CG2 C 13 20.745 . . 1 . . . . 100 V CG2 . 16339 1 1013 . 1 1 100 100 VAL N N 15 127.333 . . 1 . . . . 100 V N . 16339 1 1014 . 1 1 101 101 ASN H H 1 8.969 . . 1 . . . . 101 N HN . 16339 1 1015 . 1 1 101 101 ASN HA H 1 4.310 . . 1 . . . . 101 N HA . 16339 1 1016 . 1 1 101 101 ASN HB2 H 1 2.553 . . 2 . . . . 101 N HB2 . 16339 1 1017 . 1 1 101 101 ASN HB3 H 1 3.182 . . 2 . . . . 101 N HB3 . 16339 1 1018 . 1 1 101 101 ASN CA C 13 53.682 . . 1 . . . . 101 N CA . 16339 1 1019 . 1 1 101 101 ASN CB C 13 37.367 . . 1 . . . . 101 N CB . 16339 1 1020 . 1 1 101 101 ASN N N 15 125.207 . . 1 . . . . 101 N N . 16339 1 1021 . 1 1 102 102 GLY H H 1 8.466 . . 1 . . . . 102 G HN . 16339 1 1022 . 1 1 102 102 GLY HA2 H 1 3.115 . . 2 . . . . 102 G HA2 . 16339 1 1023 . 1 1 102 102 GLY HA3 H 1 3.926 . . 2 . . . . 102 G HA3 . 16339 1 1024 . 1 1 102 102 GLY CA C 13 45.384 . . 1 . . . . 102 G CA . 16339 1 1025 . 1 1 102 102 GLY N N 15 106.581 . . 1 . . . . 102 G N . 16339 1 1026 . 1 1 103 103 ARG H H 1 7.333 . . 1 . . . . 103 R HN . 16339 1 1027 . 1 1 103 103 ARG HA H 1 4.578 . . 1 . . . . 103 R HA . 16339 1 1028 . 1 1 103 103 ARG HB2 H 1 1.699 . . 2 . . . . 103 R HB2 . 16339 1 1029 . 1 1 103 103 ARG HB3 H 1 1.699 . . 2 . . . . 103 R HB3 . 16339 1 1030 . 1 1 103 103 ARG HD2 H 1 3.175 . . 2 . . . . 103 R HD2 . 16339 1 1031 . 1 1 103 103 ARG HD3 H 1 3.175 . . 2 . . . . 103 R HD3 . 16339 1 1032 . 1 1 103 103 ARG HE H 1 7.201 . . 1 . . . . 103 R HE . 16339 1 1033 . 1 1 103 103 ARG HG2 H 1 1.520 . . 2 . . . . 103 R HG2 . 16339 1 1034 . 1 1 103 103 ARG HG3 H 1 1.605 . . 2 . . . . 103 R HG3 . 16339 1 1035 . 1 1 103 103 ARG CA C 13 53.952 . . 1 . . . . 103 R CA . 16339 1 1036 . 1 1 103 103 ARG CB C 13 32.981 . . 1 . . . . 103 R CB . 16339 1 1037 . 1 1 103 103 ARG CD C 13 43.610 . . 1 . . . . 103 R CD . 16339 1 1038 . 1 1 103 103 ARG CG C 13 27.490 . . 1 . . . . 103 R CG . 16339 1 1039 . 1 1 103 103 ARG N N 15 118.857 . . 1 . . . . 103 R N . 16339 1 1040 . 1 1 103 103 ARG NE N 15 117.085 . . 1 . . . . 103 R NE . 16339 1 1041 . 1 1 104 104 LEU H H 1 8.131 . . 1 . . . . 104 L HN . 16339 1 1042 . 1 1 104 104 LEU HA H 1 4.873 . . 1 . . . . 104 L HA . 16339 1 1043 . 1 1 104 104 LEU HB2 H 1 0.799 . . 2 . . . . 104 L HB2 . 16339 1 1044 . 1 1 104 104 LEU HB3 H 1 1.499 . . 2 . . . . 104 L HB3 . 16339 1 1045 . 1 1 104 104 LEU HD11 H 1 0.406 . . 2 . . . . 104 L HD11 . 16339 1 1046 . 1 1 104 104 LEU HD12 H 1 0.406 . . 2 . . . . 104 L HD11 . 16339 1 1047 . 1 1 104 104 LEU HD13 H 1 0.406 . . 2 . . . . 104 L HD11 . 16339 1 1048 . 1 1 104 104 LEU HD21 H 1 0.310 . . 2 . . . . 104 L HD21 . 16339 1 1049 . 1 1 104 104 LEU HD22 H 1 0.310 . . 2 . . . . 104 L HD21 . 16339 1 1050 . 1 1 104 104 LEU HD23 H 1 0.310 . . 2 . . . . 104 L HD21 . 16339 1 1051 . 1 1 104 104 LEU CA C 13 53.998 . . 1 . . . . 104 L CA . 16339 1 1052 . 1 1 104 104 LEU CB C 13 43.698 . . 1 . . . . 104 L CB . 16339 1 1053 . 1 1 104 104 LEU CD1 C 13 25.720 . . 1 . . . . 104 L CD1 . 16339 1 1054 . 1 1 104 104 LEU CD2 C 13 23.740 . . 1 . . . . 104 L CD2 . 16339 1 1055 . 1 1 104 104 LEU N N 15 123.457 . . 1 . . . . 104 L N . 16339 1 1056 . 1 1 105 105 VAL H H 1 9.022 . . 1 . . . . 105 V HN . 16339 1 1057 . 1 1 105 105 VAL HA H 1 4.410 . . 1 . . . . 105 V HA . 16339 1 1058 . 1 1 105 105 VAL HB H 1 1.854 . . 1 . . . . 105 V HB . 16339 1 1059 . 1 1 105 105 VAL HG11 H 1 0.825 . . 2 . . . . 105 V HG11 . 16339 1 1060 . 1 1 105 105 VAL HG12 H 1 0.825 . . 2 . . . . 105 V HG11 . 16339 1 1061 . 1 1 105 105 VAL HG13 H 1 0.825 . . 2 . . . . 105 V HG11 . 16339 1 1062 . 1 1 105 105 VAL HG21 H 1 0.835 . . 2 . . . . 105 V HG21 . 16339 1 1063 . 1 1 105 105 VAL HG22 H 1 0.835 . . 2 . . . . 105 V HG21 . 16339 1 1064 . 1 1 105 105 VAL HG23 H 1 0.835 . . 2 . . . . 105 V HG21 . 16339 1 1065 . 1 1 105 105 VAL CA C 13 60.655 . . 1 . . . . 105 V CA . 16339 1 1066 . 1 1 105 105 VAL CB C 13 36.935 . . 1 . . . . 105 V CB . 16339 1 1067 . 1 1 105 105 VAL CG1 C 13 21.120 . . 1 . . . . 105 V CG1 . 16339 1 1068 . 1 1 105 105 VAL CG2 C 13 21.120 . . 1 . . . . 105 V CG2 . 16339 1 1069 . 1 1 105 105 VAL N N 15 121.333 . . 1 . . . . 105 V N . 16339 1 1070 . 1 1 106 106 PHE H H 1 8.759 . . 1 . . . . 106 F HN . 16339 1 1071 . 1 1 106 106 PHE HA H 1 4.918 . . 1 . . . . 106 F HA . 16339 1 1072 . 1 1 106 106 PHE HB2 H 1 2.999 . . 2 . . . . 106 F HB2 . 16339 1 1073 . 1 1 106 106 PHE HB3 H 1 2.999 . . 2 . . . . 106 F HB3 . 16339 1 1074 . 1 1 106 106 PHE CA C 13 56.920 . . 1 . . . . 106 F CA . 16339 1 1075 . 1 1 106 106 PHE CB C 13 41.611 . . 1 . . . . 106 F CB . 16339 1 1076 . 1 1 106 106 PHE N N 15 126.208 . . 1 . . . . 106 F N . 16339 1 1077 . 1 1 107 107 GLN H H 1 7.612 . . 1 . . . . 107 Q HN . 16339 1 1078 . 1 1 107 107 GLN CA C 13 57.078 . . 1 . . . . 107 Q CA . 16339 1 1079 . 1 1 107 107 GLN CB C 13 31.554 . . 1 . . . . 107 Q CB . 16339 1 1080 . 1 1 107 107 GLN N N 15 131.708 . . 1 . . . . 107 Q N . 16339 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 280 16339 1 1 281 16339 1 2 487 16339 1 2 488 16339 1 stop_ save_