data_19613 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19613 _Entry.Title ; Structural insights into the DNA recognition and protein interaction domains reveal fundamental homologous DNA pairing properties of HOP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-13 _Entry.Accession_date 2013-11-13 _Entry.Last_release_date 2014-04-11 _Entry.Original_release_date 2014-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hem Moktan . . . 19613 2 Michel Guiraldelli . F. . 19613 3 Craig Eyter . A. . 19613 4 Weixing Zhao . . . 19613 5 Rafael Camerini-Otero . D. . 19613 6 Patrick Sung . . . 19613 7 Donghua Zhou . H. . 19613 8 Roberto Pezza . J. . 19613 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' . 19613 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding' . 19613 'homologous pairing protein' . 19613 'homologous recombination' . 19613 Hop2 . 19613 meosis . 19613 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19613 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 19613 '15N chemical shifts' 82 19613 '1H chemical shifts' 485 19613 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 . . 2014-04-11 2013-11-13 original author . 19613 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MH2 'BMRB Entry Tracking System' 19613 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19613 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24711446 _Citation.Full_citation . _Citation.Title 'Solution Structure and DNA-binding Properties of the Winged Helix Domain of the Meiotic Recombination HOP2 Protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Hem Moktan . . . 19613 1 2 Michel Guiraldelli . F. . 19613 1 3 Craig Eyster . A. . 19613 1 4 Weixing Zhao . . . 19613 1 5 Chih-Ying Lee . . . 19613 1 6 Timothy Mather . . . 19613 1 7 'R. Daniel' Camerini-Otero . . . 19613 1 8 Patrick Sung . . . 19613 1 9 Donghua Zhou . H. . 19613 1 10 Roberto Pezza . J. . 19613 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19613 _Assembly.ID 1 _Assembly.Name HOP2 _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 HOP2 1 $Hop2 A . yes native no no . . . 19613 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hop2 _Entity.Sf_category entity _Entity.Sf_framecode Hop2 _Entity.Entry_ID 19613 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Hop2 _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 ; MSKSRAEAAAGAPGIILRYL QEQNRPYSAQDVFGNLQKEH GLGKAAVVKALDQLAQEGKI KEKTYGKQKIYFADQNQFDT VSDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Hop2 N-terminus' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7146.221 _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 yes NCBI NP_032975.1 . Hop2 . . . . . . . . . . . . . . 19613 1 2 no PDB 2MH2 . "Structural Insights Into The Dna Recognition And Protein Interaction Domains Reveal Fundamental Homologous Dna Pairing Properti" . . . . . 100.00 84 100.00 100.00 2.00e-52 . . . . 19613 1 3 no DBJ BAA23155 . "TBPIP [Mus musculus]" . . . . . 100.00 217 100.00 100.00 1.02e-51 . . . . 19613 1 4 no DBJ BAE21670 . "unnamed protein product [Mus musculus]" . . . . . 100.00 217 98.81 98.81 1.11e-50 . . . . 19613 1 5 no GB AAH30169 . "Proteasome (prosome, macropain) 26S subunit, ATPase 3, interacting protein [Mus musculus]" . . . . . 100.00 217 100.00 100.00 1.02e-51 . . . . 19613 1 6 no GB ACR24246 . "GT198 [Mus musculus]" . . . . . 100.00 217 100.00 100.00 1.02e-51 . . . . 19613 1 7 no GB EDL03884 . "proteasome (prosome, macropain) 26S subunit, ATPase 3, interacting protein, isoform CRA_c [Mus musculus]" . . . . . 100.00 217 100.00 100.00 1.02e-51 . . . . 19613 1 8 no REF NP_032975 . "homologous-pairing protein 2 homolog [Mus musculus]" . . . . . 100.00 217 100.00 100.00 1.02e-51 . . . . 19613 1 9 no REF XP_005070210 . "PREDICTED: homologous-pairing protein 2 homolog isoform X2 [Mesocricetus auratus]" . . . . . 100.00 217 97.62 100.00 2.35e-50 . . . . 19613 1 10 no REF XP_005369097 . "PREDICTED: homologous-pairing protein 2 homolog isoform X1 [Microtus ochrogaster]" . . . . . 100.00 228 97.62 98.81 5.09e-50 . . . . 19613 1 11 no REF XP_005369098 . "PREDICTED: homologous-pairing protein 2 homolog isoform X2 [Microtus ochrogaster]" . . . . . 100.00 217 97.62 98.81 3.32e-50 . . . . 19613 1 12 no REF XP_012968832 . "PREDICTED: homologous-pairing protein 2 homolog isoform X1 [Mesocricetus auratus]" . . . . . 100.00 238 97.62 100.00 3.02e-50 . . . . 19613 1 13 no SP O35047 . "RecName: Full=Homologous-pairing protein 2 homolog; AltName: Full=PSMC3-interacting protein; AltName: Full=Proteasome 26S ATPas" . . . . . 100.00 217 100.00 100.00 1.02e-51 . . . . 19613 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 . 19613 1 2 . SER . 19613 1 3 . LYS . 19613 1 4 . SER . 19613 1 5 . ARG . 19613 1 6 . ALA . 19613 1 7 . GLU . 19613 1 8 . ALA . 19613 1 9 . ALA . 19613 1 10 . ALA . 19613 1 11 . GLY . 19613 1 12 . ALA . 19613 1 13 . PRO . 19613 1 14 . GLY . 19613 1 15 . ILE . 19613 1 16 . ILE . 19613 1 17 . LEU . 19613 1 18 . ARG . 19613 1 19 . TYR . 19613 1 20 . LEU . 19613 1 21 . GLN . 19613 1 22 . GLU . 19613 1 23 . GLN . 19613 1 24 . ASN . 19613 1 25 . ARG . 19613 1 26 . PRO . 19613 1 27 . TYR . 19613 1 28 . SER . 19613 1 29 . ALA . 19613 1 30 . GLN . 19613 1 31 . ASP . 19613 1 32 . VAL . 19613 1 33 . PHE . 19613 1 34 . GLY . 19613 1 35 . ASN . 19613 1 36 . LEU . 19613 1 37 . GLN . 19613 1 38 . LYS . 19613 1 39 . GLU . 19613 1 40 . HIS . 19613 1 41 . GLY . 19613 1 42 . LEU . 19613 1 43 . GLY . 19613 1 44 . LYS . 19613 1 45 . ALA . 19613 1 46 . ALA . 19613 1 47 . VAL . 19613 1 48 . VAL . 19613 1 49 . LYS . 19613 1 50 . ALA . 19613 1 51 . LEU . 19613 1 52 . ASP . 19613 1 53 . GLN . 19613 1 54 . LEU . 19613 1 55 . ALA . 19613 1 56 . GLN . 19613 1 57 . GLU . 19613 1 58 . GLY . 19613 1 59 . LYS . 19613 1 60 . ILE . 19613 1 61 . LYS . 19613 1 62 . GLU . 19613 1 63 . LYS . 19613 1 64 . THR . 19613 1 65 . TYR . 19613 1 66 . GLY . 19613 1 67 . LYS . 19613 1 68 . GLN . 19613 1 69 . LYS . 19613 1 70 . ILE . 19613 1 71 . TYR . 19613 1 72 . PHE . 19613 1 73 . ALA . 19613 1 74 . ASP . 19613 1 75 . GLN . 19613 1 76 . ASN . 19613 1 77 . GLN . 19613 1 78 . PHE . 19613 1 79 . ASP . 19613 1 80 . THR . 19613 1 81 . VAL . 19613 1 82 . SER . 19613 1 83 . ASP . 19613 1 84 . ALA . 19613 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 19613 1 . SER 2 2 19613 1 . LYS 3 3 19613 1 . SER 4 4 19613 1 . ARG 5 5 19613 1 . ALA 6 6 19613 1 . GLU 7 7 19613 1 . ALA 8 8 19613 1 . ALA 9 9 19613 1 . ALA 10 10 19613 1 . GLY 11 11 19613 1 . ALA 12 12 19613 1 . PRO 13 13 19613 1 . GLY 14 14 19613 1 . ILE 15 15 19613 1 . ILE 16 16 19613 1 . LEU 17 17 19613 1 . ARG 18 18 19613 1 . TYR 19 19 19613 1 . LEU 20 20 19613 1 . GLN 21 21 19613 1 . GLU 22 22 19613 1 . GLN 23 23 19613 1 . ASN 24 24 19613 1 . ARG 25 25 19613 1 . PRO 26 26 19613 1 . TYR 27 27 19613 1 . SER 28 28 19613 1 . ALA 29 29 19613 1 . GLN 30 30 19613 1 . ASP 31 31 19613 1 . VAL 32 32 19613 1 . PHE 33 33 19613 1 . GLY 34 34 19613 1 . ASN 35 35 19613 1 . LEU 36 36 19613 1 . GLN 37 37 19613 1 . LYS 38 38 19613 1 . GLU 39 39 19613 1 . HIS 40 40 19613 1 . GLY 41 41 19613 1 . LEU 42 42 19613 1 . GLY 43 43 19613 1 . LYS 44 44 19613 1 . ALA 45 45 19613 1 . ALA 46 46 19613 1 . VAL 47 47 19613 1 . VAL 48 48 19613 1 . LYS 49 49 19613 1 . ALA 50 50 19613 1 . LEU 51 51 19613 1 . ASP 52 52 19613 1 . GLN 53 53 19613 1 . LEU 54 54 19613 1 . ALA 55 55 19613 1 . GLN 56 56 19613 1 . GLU 57 57 19613 1 . GLY 58 58 19613 1 . LYS 59 59 19613 1 . ILE 60 60 19613 1 . LYS 61 61 19613 1 . GLU 62 62 19613 1 . LYS 63 63 19613 1 . THR 64 64 19613 1 . TYR 65 65 19613 1 . GLY 66 66 19613 1 . LYS 67 67 19613 1 . GLN 68 68 19613 1 . LYS 69 69 19613 1 . ILE 70 70 19613 1 . TYR 71 71 19613 1 . PHE 72 72 19613 1 . ALA 73 73 19613 1 . ASP 74 74 19613 1 . GLN 75 75 19613 1 . ASN 76 76 19613 1 . GLN 77 77 19613 1 . PHE 78 78 19613 1 . ASP 79 79 19613 1 . THR 80 80 19613 1 . VAL 81 81 19613 1 . SER 82 82 19613 1 . ASP 83 83 19613 1 . ALA 84 84 19613 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 19613 _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 $Hop2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . HOP2 . 'homologous-pairing protein 2 homolog' . . 19613 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 19613 _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 $Hop2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET22b . . . . . . 19613 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19613 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Hop2 '[U-99% 13C; U-99% 15N]' . . 1 $Hop2 . . 6 . . mg/mL . . . . 19613 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 19613 1 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 19613 1 4 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 19613 1 5 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 19613 1 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 19613 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 19613 1 pH 7.8 . pH 19613 1 pressure 1 . atm 19613 1 temperature 273 . K 19613 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19613 _Software.ID 1 _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' . . 19613 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19613 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19613 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19613 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19613 2 'peak picking' 19613 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 19613 _Software.ID 3 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 19613 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19613 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19613 _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' . . 19613 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19613 4 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 19613 _Software.ID 5 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 19613 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19613 5 stop_ save_ save_RPF _Software.Sf_category software _Software.Sf_framecode RPF _Software.Entry_ID 19613 _Software.ID 6 _Software.Name RPF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Powers, Montelione' . . 19613 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19613 6 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 19613 _Software.ID 7 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 19613 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19613 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Inova600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Inova600 _NMR_spectrometer.Entry_ID 19613 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19613 _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 Inova600 Varian INOVA . 600 . . . 19613 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 19613 _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 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 12 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 1 13 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Inova600 . . . . . . . . . . . . . . . . 19613 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 19613 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19613 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19613 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19613 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 19613 _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 1H-15N HSQC' . . . 19613 1 2 '2D 1H-13C HSQC' . . . 19613 1 3 '3D CBCA(CO)NH' . . . 19613 1 4 '3D C(CO)NH' . . . 19613 1 5 '3D HNCO' . . . 19613 1 6 '3D HNCA' . . . 19613 1 7 '3D HNCACB' . . . 19613 1 8 '3D H(CCO)NH' . . . 19613 1 9 '3D HCCH-TOCSY' . . . 19613 1 11 '3D 1H-15N TOCSY' . . . 19613 1 13 '3D HN(CO)CA' . . . 19613 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 5 5 ARG HA H 1 4.44 0.00 . 1 . . . . 5 ARG HA . 19613 1 2 . 1 1 5 5 ARG HB2 H 1 1.79 0.00 . 1 . . . . 5 ARG HB2 . 19613 1 3 . 1 1 5 5 ARG HB3 H 1 1.79 0.00 . 1 . . . . 5 ARG HB3 . 19613 1 4 . 1 1 5 5 ARG HD2 H 1 3.17 0.00 . 1 . . . . 5 ARG HD2 . 19613 1 5 . 1 1 5 5 ARG HD3 H 1 3.17 0.00 . 1 . . . . 5 ARG HD3 . 19613 1 6 . 1 1 5 5 ARG C C 13 176.95 0.04 . 1 . . . . 5 ARG C . 19613 1 7 . 1 1 5 5 ARG CA C 13 56.95 0.03 . 1 . . . . 5 ARG CA . 19613 1 8 . 1 1 5 5 ARG CB C 13 30.45 0.05 . 1 . . . . 5 ARG CB . 19613 1 9 . 1 1 5 5 ARG CG C 13 26.97 0.00 . 1 . . . . 5 ARG CG . 19613 1 10 . 1 1 5 5 ARG CD C 13 43.16 0.00 . 1 . . . . 5 ARG CD . 19613 1 11 . 1 1 6 6 ALA H H 1 8.31 0.01 . 1 . . . . 6 ALA H . 19613 1 12 . 1 1 6 6 ALA HA H 1 4.22 0.00 . 1 . . . . 6 ALA HA . 19613 1 13 . 1 1 6 6 ALA HB1 H 1 1.37 0.02 . 1 . . . . 6 ALA HB . 19613 1 14 . 1 1 6 6 ALA HB2 H 1 1.37 0.02 . 1 . . . . 6 ALA HB . 19613 1 15 . 1 1 6 6 ALA HB3 H 1 1.37 0.02 . 1 . . . . 6 ALA HB . 19613 1 16 . 1 1 6 6 ALA C C 13 178.65 0.00 . 1 . . . . 6 ALA C . 19613 1 17 . 1 1 6 6 ALA CA C 13 53.37 0.04 . 1 . . . . 6 ALA CA . 19613 1 18 . 1 1 6 6 ALA CB C 13 18.72 0.03 . 1 . . . . 6 ALA CB . 19613 1 19 . 1 1 6 6 ALA N N 15 124.41 0.05 . 1 . . . . 6 ALA N . 19613 1 20 . 1 1 7 7 GLU H H 1 8.32 0.01 . 1 . . . . 7 GLU H . 19613 1 21 . 1 1 7 7 GLU HA H 1 4.18 0.01 . 1 . . . . 7 GLU HA . 19613 1 22 . 1 1 7 7 GLU HB2 H 1 2.00 0.01 . 2 . . . . 7 GLU HB2 . 19613 1 23 . 1 1 7 7 GLU HB3 H 1 1.99 0.01 . 2 . . . . 7 GLU HB3 . 19613 1 24 . 1 1 7 7 GLU HG2 H 1 2.26 0.01 . 1 . . . . 7 GLU HG2 . 19613 1 25 . 1 1 7 7 GLU HG3 H 1 2.26 0.00 . 1 . . . . 7 GLU HG3 . 19613 1 26 . 1 1 7 7 GLU C C 13 177.25 0.01 . 1 . . . . 7 GLU C . 19613 1 27 . 1 1 7 7 GLU CA C 13 57.18 0.06 . 1 . . . . 7 GLU CA . 19613 1 28 . 1 1 7 7 GLU CB C 13 29.99 0.05 . 1 . . . . 7 GLU CB . 19613 1 29 . 1 1 7 7 GLU CG C 13 36.26 0.01 . 1 . . . . 7 GLU CG . 19613 1 30 . 1 1 7 7 GLU N N 15 119.80 0.03 . 1 . . . . 7 GLU N . 19613 1 31 . 1 1 8 8 ALA H H 1 8.22 0.01 . 1 . . . . 8 ALA H . 19613 1 32 . 1 1 8 8 ALA HA H 1 4.21 0.00 . 1 . . . . 8 ALA HA . 19613 1 33 . 1 1 8 8 ALA HB1 H 1 1.37 0.01 . 1 . . . . 8 ALA HB . 19613 1 34 . 1 1 8 8 ALA HB2 H 1 1.37 0.01 . 1 . . . . 8 ALA HB . 19613 1 35 . 1 1 8 8 ALA HB3 H 1 1.37 0.01 . 1 . . . . 8 ALA HB . 19613 1 36 . 1 1 8 8 ALA C C 13 178.17 0.00 . 1 . . . . 8 ALA C . 19613 1 37 . 1 1 8 8 ALA CA C 13 53.14 0.05 . 1 . . . . 8 ALA CA . 19613 1 38 . 1 1 8 8 ALA CB C 13 18.80 0.09 . 1 . . . . 8 ALA CB . 19613 1 39 . 1 1 8 8 ALA N N 15 124.25 0.05 . 1 . . . . 8 ALA N . 19613 1 40 . 1 1 9 9 ALA H H 1 8.11 0.00 . 1 . . . . 9 ALA H . 19613 1 41 . 1 1 9 9 ALA HA H 1 4.22 0.00 . 1 . . . . 9 ALA HA . 19613 1 42 . 1 1 9 9 ALA HB1 H 1 1.37 0.01 . 1 . . . . 9 ALA HB . 19613 1 43 . 1 1 9 9 ALA HB2 H 1 1.37 0.01 . 1 . . . . 9 ALA HB . 19613 1 44 . 1 1 9 9 ALA HB3 H 1 1.37 0.01 . 1 . . . . 9 ALA HB . 19613 1 45 . 1 1 9 9 ALA C C 13 177.92 0.03 . 1 . . . . 9 ALA C . 19613 1 46 . 1 1 9 9 ALA CA C 13 53.06 0.12 . 1 . . . . 9 ALA CA . 19613 1 47 . 1 1 9 9 ALA CB C 13 18.75 0.12 . 1 . . . . 9 ALA CB . 19613 1 48 . 1 1 9 9 ALA N N 15 121.75 0.04 . 1 . . . . 9 ALA N . 19613 1 49 . 1 1 10 10 ALA H H 1 8.02 0.00 . 1 . . . . 10 ALA H . 19613 1 50 . 1 1 10 10 ALA HA H 1 4.20 0.00 . 1 . . . . 10 ALA HA . 19613 1 51 . 1 1 10 10 ALA HB1 H 1 1.39 0.01 . 1 . . . . 10 ALA HB . 19613 1 52 . 1 1 10 10 ALA HB2 H 1 1.39 0.01 . 1 . . . . 10 ALA HB . 19613 1 53 . 1 1 10 10 ALA HB3 H 1 1.39 0.01 . 1 . . . . 10 ALA HB . 19613 1 54 . 1 1 10 10 ALA C C 13 178.50 0.01 . 1 . . . . 10 ALA C . 19613 1 55 . 1 1 10 10 ALA CA C 13 52.80 0.11 . 1 . . . . 10 ALA CA . 19613 1 56 . 1 1 10 10 ALA CB C 13 19.12 0.03 . 1 . . . . 10 ALA CB . 19613 1 57 . 1 1 10 10 ALA N N 15 121.75 0.03 . 1 . . . . 10 ALA N . 19613 1 58 . 1 1 11 11 GLY H H 1 8.12 0.01 . 1 . . . A 11 GLY H . 19613 1 59 . 1 1 11 11 GLY HA2 H 1 4.04 0.01 . 2 . . . A 11 GLY HA2 . 19613 1 60 . 1 1 11 11 GLY HA3 H 1 3.95 0.01 . 2 . . . A 11 GLY HA3 . 19613 1 61 . 1 1 11 11 GLY CA C 13 44.84 0.06 . 1 . . . A 11 GLY CA . 19613 1 62 . 1 1 11 11 GLY N N 15 106.41 0.04 . 1 . . . A 11 GLY N . 19613 1 63 . 1 1 13 13 PRO HA H 1 3.96 0.02 . 1 . . . A 13 PRO HA . 19613 1 64 . 1 1 13 13 PRO HB2 H 1 2.16 0.00 . 2 . . . A 13 PRO HB2 . 19613 1 65 . 1 1 13 13 PRO HB3 H 1 1.86 0.00 . 2 . . . A 13 PRO HB3 . 19613 1 66 . 1 1 13 13 PRO HD2 H 1 3.74 0.01 . 1 . . . A 13 PRO HD2 . 19613 1 67 . 1 1 13 13 PRO HD3 H 1 3.74 0.01 . 1 . . . A 13 PRO HD3 . 19613 1 68 . 1 1 13 13 PRO C C 13 177.74 0.00 . 1 . . . A 13 PRO C . 19613 1 69 . 1 1 13 13 PRO CA C 13 66.98 0.06 . 1 . . . A 13 PRO CA . 19613 1 70 . 1 1 13 13 PRO CB C 13 30.42 0.05 . 1 . . . A 13 PRO CB . 19613 1 71 . 1 1 13 13 PRO CG C 13 28.56 0.00 . 1 . . . A 13 PRO CG . 19613 1 72 . 1 1 13 13 PRO CD C 13 49.91 0.06 . 1 . . . A 13 PRO CD . 19613 1 73 . 1 1 14 14 GLY H H 1 7.62 0.01 . 1 . . . A 14 GLY H . 19613 1 74 . 1 1 14 14 GLY HA2 H 1 3.72 0.01 . 2 . . . A 14 GLY HA2 . 19613 1 75 . 1 1 14 14 GLY HA3 H 1 3.80 0.02 . 2 . . . A 14 GLY HA3 . 19613 1 76 . 1 1 14 14 GLY C C 13 176.45 0.00 . 1 . . . A 14 GLY C . 19613 1 77 . 1 1 14 14 GLY CA C 13 47.20 0.03 . 1 . . . A 14 GLY CA . 19613 1 78 . 1 1 14 14 GLY N N 15 103.91 0.02 . 1 . . . A 14 GLY N . 19613 1 79 . 1 1 15 15 ILE H H 1 7.66 0.01 . 1 . . . A 15 ILE H . 19613 1 80 . 1 1 15 15 ILE HA H 1 3.47 0.02 . 1 . . . A 15 ILE HA . 19613 1 81 . 1 1 15 15 ILE HB H 1 1.52 0.01 . 1 . . . A 15 ILE HB . 19613 1 82 . 1 1 15 15 ILE HG12 H 1 0.75 0.01 . 1 . . . A 15 ILE HG12 . 19613 1 83 . 1 1 15 15 ILE HG13 H 1 0.75 0.01 . 1 . . . A 15 ILE HG13 . 19613 1 84 . 1 1 15 15 ILE HG21 H 1 0.15 0.01 . 1 . . . A 15 ILE HG21 . 19613 1 85 . 1 1 15 15 ILE HG22 H 1 0.15 0.01 . 1 . . . A 15 ILE HG22 . 19613 1 86 . 1 1 15 15 ILE HG23 H 1 0.15 0.01 . 1 . . . A 15 ILE HG23 . 19613 1 87 . 1 1 15 15 ILE HD11 H 1 0.56 0.01 . 1 . . . A 15 ILE HD11 . 19613 1 88 . 1 1 15 15 ILE HD12 H 1 0.56 0.01 . 1 . . . A 15 ILE HD12 . 19613 1 89 . 1 1 15 15 ILE HD13 H 1 0.56 0.01 . 1 . . . A 15 ILE HD13 . 19613 1 90 . 1 1 15 15 ILE C C 13 178.81 0.01 . 1 . . . A 15 ILE C . 19613 1 91 . 1 1 15 15 ILE CA C 13 64.74 0.19 . 1 . . . A 15 ILE CA . 19613 1 92 . 1 1 15 15 ILE CB C 13 38.78 0.09 . 1 . . . A 15 ILE CB . 19613 1 93 . 1 1 15 15 ILE CG1 C 13 28.65 0.09 . 1 . . . A 15 ILE CG1 . 19613 1 94 . 1 1 15 15 ILE CG2 C 13 15.85 0.10 . 1 . . . A 15 ILE CG2 . 19613 1 95 . 1 1 15 15 ILE CD1 C 13 13.55 0.08 . 1 . . . A 15 ILE CD1 . 19613 1 96 . 1 1 15 15 ILE N N 15 122.90 0.02 . 1 . . . A 15 ILE N . 19613 1 97 . 1 1 16 16 ILE H H 1 8.13 0.01 . 1 . . . A 16 ILE H . 19613 1 98 . 1 1 16 16 ILE HA H 1 3.33 0.01 . 1 . . . A 16 ILE HA . 19613 1 99 . 1 1 16 16 ILE HB H 1 1.58 0.01 . 1 . . . A 16 ILE HB . 19613 1 100 . 1 1 16 16 ILE HD11 H 1 0.66 0.02 . 1 . . . A 16 ILE HD11 . 19613 1 101 . 1 1 16 16 ILE HD12 H 1 0.66 0.02 . 1 . . . A 16 ILE HD12 . 19613 1 102 . 1 1 16 16 ILE HD13 H 1 0.66 0.02 . 1 . . . A 16 ILE HD13 . 19613 1 103 . 1 1 16 16 ILE C C 13 176.68 0.04 . 1 . . . A 16 ILE C . 19613 1 104 . 1 1 16 16 ILE CA C 13 65.45 0.05 . 1 . . . A 16 ILE CA . 19613 1 105 . 1 1 16 16 ILE CB C 13 37.87 0.11 . 1 . . . A 16 ILE CB . 19613 1 106 . 1 1 16 16 ILE CG1 C 13 30.25 0.00 . 1 . . . A 16 ILE CG1 . 19613 1 107 . 1 1 16 16 ILE CG2 C 13 17.83 0.07 . 1 . . . A 16 ILE CG2 . 19613 1 108 . 1 1 16 16 ILE CD1 C 13 15.89 0.00 . 1 . . . A 16 ILE CD1 . 19613 1 109 . 1 1 16 16 ILE N N 15 120.30 0.04 . 1 . . . A 16 ILE N . 19613 1 110 . 1 1 17 17 LEU H H 1 8.56 0.00 . 1 . . . A 17 LEU H . 19613 1 111 . 1 1 17 17 LEU HA H 1 3.86 0.01 . 1 . . . A 17 LEU HA . 19613 1 112 . 1 1 17 17 LEU HB2 H 1 1.56 0.00 . 2 . . . A 17 LEU HB2 . 19613 1 113 . 1 1 17 17 LEU HB3 H 1 1.86 0.00 . 2 . . . A 17 LEU HB3 . 19613 1 114 . 1 1 17 17 LEU HG H 1 1.37 0.00 . 1 . . . A 17 LEU HG . 19613 1 115 . 1 1 17 17 LEU HD11 H 1 0.83 0.00 . 2 . . . A 17 LEU HD11 . 19613 1 116 . 1 1 17 17 LEU HD12 H 1 0.83 0.00 . 2 . . . A 17 LEU HD12 . 19613 1 117 . 1 1 17 17 LEU HD13 H 1 0.83 0.00 . 2 . . . A 17 LEU HD13 . 19613 1 118 . 1 1 17 17 LEU HD21 H 1 0.83 0.00 . 2 . . . A 17 LEU HD21 . 19613 1 119 . 1 1 17 17 LEU HD22 H 1 0.83 0.00 . 2 . . . A 17 LEU HD22 . 19613 1 120 . 1 1 17 17 LEU HD23 H 1 0.83 0.00 . 2 . . . A 17 LEU HD23 . 19613 1 121 . 1 1 17 17 LEU C C 13 177.83 0.02 . 1 . . . A 17 LEU C . 19613 1 122 . 1 1 17 17 LEU CA C 13 58.56 0.04 . 1 . . . A 17 LEU CA . 19613 1 123 . 1 1 17 17 LEU CB C 13 41.64 0.02 . 1 . . . A 17 LEU CB . 19613 1 124 . 1 1 17 17 LEU CD1 C 13 25.85 0.03 . 2 . . . A 17 LEU CD1 . 19613 1 125 . 1 1 17 17 LEU CD2 C 13 23.71 0.02 . 2 . . . A 17 LEU CD2 . 19613 1 126 . 1 1 17 17 LEU N N 15 120.68 0.04 . 1 . . . A 17 LEU N . 19613 1 127 . 1 1 18 18 ARG H H 1 7.58 0.01 . 1 . . . A 18 ARG H . 19613 1 128 . 1 1 18 18 ARG HA H 1 4.08 0.02 . 1 . . . A 18 ARG HA . 19613 1 129 . 1 1 18 18 ARG HB2 H 1 1.86 0.00 . 2 . . . A 18 ARG HB2 . 19613 1 130 . 1 1 18 18 ARG HB3 H 1 1.87 0.00 . 2 . . . A 18 ARG HB3 . 19613 1 131 . 1 1 18 18 ARG HG2 H 1 1.82 0.00 . 2 . . . A 18 ARG HG2 . 19613 1 132 . 1 1 18 18 ARG HG3 H 1 1.58 0.00 . 2 . . . A 18 ARG HG3 . 19613 1 133 . 1 1 18 18 ARG HD2 H 1 3.22 0.02 . 2 . . . A 18 ARG HD2 . 19613 1 134 . 1 1 18 18 ARG HD3 H 1 3.21 0.02 . 2 . . . A 18 ARG HD3 . 19613 1 135 . 1 1 18 18 ARG C C 13 178.25 0.01 . 1 . . . A 18 ARG C . 19613 1 136 . 1 1 18 18 ARG CA C 13 59.32 0.06 . 1 . . . A 18 ARG CA . 19613 1 137 . 1 1 18 18 ARG CB C 13 29.59 0.14 . 1 . . . A 18 ARG CB . 19613 1 138 . 1 1 18 18 ARG CG C 13 27.42 0.07 . 1 . . . A 18 ARG CG . 19613 1 139 . 1 1 18 18 ARG CD C 13 43.31 0.05 . 1 . . . A 18 ARG CD . 19613 1 140 . 1 1 18 18 ARG N N 15 116.16 0.02 . 1 . . . A 18 ARG N . 19613 1 141 . 1 1 19 19 TYR H H 1 7.82 0.00 . 1 . . . A 19 TYR H . 19613 1 142 . 1 1 19 19 TYR HA H 1 4.35 0.01 . 1 . . . A 19 TYR HA . 19613 1 143 . 1 1 19 19 TYR HB2 H 1 3.07 0.00 . 1 . . . A 19 TYR HB2 . 19613 1 144 . 1 1 19 19 TYR HB3 H 1 3.07 0.00 . 1 . . . A 19 TYR HB3 . 19613 1 145 . 1 1 19 19 TYR C C 13 177.48 0.01 . 1 . . . A 19 TYR C . 19613 1 146 . 1 1 19 19 TYR CA C 13 61.56 0.01 . 1 . . . A 19 TYR CA . 19613 1 147 . 1 1 19 19 TYR CB C 13 38.40 0.06 . 1 . . . A 19 TYR CB . 19613 1 148 . 1 1 19 19 TYR N N 15 119.28 0.03 . 1 . . . A 19 TYR N . 19613 1 149 . 1 1 20 20 LEU H H 1 8.61 0.01 . 1 . . . A 20 LEU H . 19613 1 150 . 1 1 20 20 LEU HA H 1 3.92 0.00 . 1 . . . A 20 LEU HA . 19613 1 151 . 1 1 20 20 LEU HB2 H 1 1.97 0.01 . 1 . . . A 20 LEU HB2 . 19613 1 152 . 1 1 20 20 LEU HB3 H 1 1.97 0.01 . 1 . . . A 20 LEU HB3 . 19613 1 153 . 1 1 20 20 LEU HG H 1 1.61 0.02 . 1 . . . A 20 LEU HG . 19613 1 154 . 1 1 20 20 LEU HD11 H 1 1.06 0.01 . 2 . . . A 20 LEU HD11 . 19613 1 155 . 1 1 20 20 LEU HD12 H 1 1.06 0.01 . 2 . . . A 20 LEU HD12 . 19613 1 156 . 1 1 20 20 LEU HD13 H 1 1.06 0.01 . 2 . . . A 20 LEU HD13 . 19613 1 157 . 1 1 20 20 LEU HD21 H 1 0.77 0.00 . 2 . . . A 20 LEU HD21 . 19613 1 158 . 1 1 20 20 LEU HD22 H 1 0.77 0.00 . 2 . . . A 20 LEU HD22 . 19613 1 159 . 1 1 20 20 LEU HD23 H 1 0.77 0.00 . 2 . . . A 20 LEU HD23 . 19613 1 160 . 1 1 20 20 LEU C C 13 181.27 0.01 . 1 . . . A 20 LEU C . 19613 1 161 . 1 1 20 20 LEU CA C 13 58.35 0.04 . 1 . . . A 20 LEU CA . 19613 1 162 . 1 1 20 20 LEU CB C 13 41.63 0.05 . 1 . . . A 20 LEU CB . 19613 1 163 . 1 1 20 20 LEU CG C 13 26.95 0.05 . 1 . . . A 20 LEU CG . 19613 1 164 . 1 1 20 20 LEU CD1 C 13 22.61 0.01 . 2 . . . A 20 LEU CD1 . 19613 1 165 . 1 1 20 20 LEU CD2 C 13 22.60 0.00 . 2 . . . A 20 LEU CD2 . 19613 1 166 . 1 1 20 20 LEU N N 15 117.65 0.09 . 1 . . . A 20 LEU N . 19613 1 167 . 1 1 21 21 GLN H H 1 8.63 0.01 . 1 . . . A 21 GLN H . 19613 1 168 . 1 1 21 21 GLN HA H 1 3.92 0.02 . 1 . . . A 21 GLN HA . 19613 1 169 . 1 1 21 21 GLN HB2 H 1 2.32 0.00 . 2 . . . A 21 GLN HB2 . 19613 1 170 . 1 1 21 21 GLN HB3 H 1 1.89 0.01 . 2 . . . A 21 GLN HB3 . 19613 1 171 . 1 1 21 21 GLN HG2 H 1 2.59 0.01 . 2 . . . A 21 GLN HG2 . 19613 1 172 . 1 1 21 21 GLN HG3 H 1 2.24 0.02 . 2 . . . A 21 GLN HG3 . 19613 1 173 . 1 1 21 21 GLN C C 13 177.95 0.01 . 1 . . . A 21 GLN C . 19613 1 174 . 1 1 21 21 GLN CA C 13 58.84 0.03 . 1 . . . A 21 GLN CA . 19613 1 175 . 1 1 21 21 GLN CB C 13 28.40 0.06 . 1 . . . A 21 GLN CB . 19613 1 176 . 1 1 21 21 GLN CG C 13 34.21 0.02 . 1 . . . A 21 GLN CG . 19613 1 177 . 1 1 21 21 GLN N N 15 119.53 0.03 . 1 . . . A 21 GLN N . 19613 1 178 . 1 1 22 22 GLU H H 1 8.26 0.01 . 1 . . . A 22 GLU H . 19613 1 179 . 1 1 22 22 GLU HA H 1 4.01 0.02 . 1 . . . A 22 GLU HA . 19613 1 180 . 1 1 22 22 GLU HB2 H 1 2.01 0.01 . 1 . . . A 22 GLU HB2 . 19613 1 181 . 1 1 22 22 GLU HB3 H 1 2.01 0.01 . 1 . . . A 22 GLU HB3 . 19613 1 182 . 1 1 22 22 GLU HG2 H 1 2.40 0.12 . 1 . . . A 22 GLU HG2 . 19613 1 183 . 1 1 22 22 GLU HG3 H 1 2.40 0.12 . 1 . . . A 22 GLU HG3 . 19613 1 184 . 1 1 22 22 GLU C C 13 178.79 0.02 . 1 . . . A 22 GLU C . 19613 1 185 . 1 1 22 22 GLU CA C 13 58.63 0.11 . 1 . . . A 22 GLU CA . 19613 1 186 . 1 1 22 22 GLU CB C 13 29.87 0.15 . 1 . . . A 22 GLU CB . 19613 1 187 . 1 1 22 22 GLU CG C 13 36.55 0.03 . 1 . . . A 22 GLU CG . 19613 1 188 . 1 1 22 22 GLU N N 15 118.50 0.03 . 1 . . . A 22 GLU N . 19613 1 189 . 1 1 23 23 GLN H H 1 8.11 0.01 . 1 . . . A 23 GLN H . 19613 1 190 . 1 1 23 23 GLN HA H 1 3.97 0.01 . 1 . . . A 23 GLN HA . 19613 1 191 . 1 1 23 23 GLN HB2 H 1 2.25 0.00 . 1 . . . A 23 GLN HB2 . 19613 1 192 . 1 1 23 23 GLN HB3 H 1 2.25 0.00 . 1 . . . A 23 GLN HB3 . 19613 1 193 . 1 1 23 23 GLN HG2 H 1 1.55 0.01 . 1 . . . A 23 GLN HG2 . 19613 1 194 . 1 1 23 23 GLN HG3 H 1 1.55 0.01 . 1 . . . A 23 GLN HG3 . 19613 1 195 . 1 1 23 23 GLN C C 13 177.15 0.01 . 1 . . . A 23 GLN C . 19613 1 196 . 1 1 23 23 GLN CA C 13 56.50 0.04 . 1 . . . A 23 GLN CA . 19613 1 197 . 1 1 23 23 GLN CB C 13 30.35 0.06 . 1 . . . A 23 GLN CB . 19613 1 198 . 1 1 23 23 GLN CG C 13 33.17 0.01 . 1 . . . A 23 GLN CG . 19613 1 199 . 1 1 23 23 GLN N N 15 115.13 0.02 . 1 . . . A 23 GLN N . 19613 1 200 . 1 1 24 24 ASN H H 1 8.00 0.01 . 1 . . . A 24 ASN H . 19613 1 201 . 1 1 24 24 ASN HA H 1 4.55 0.02 . 1 . . . A 24 ASN HA . 19613 1 202 . 1 1 24 24 ASN HB2 H 1 3.11 0.01 . 2 . . . A 24 ASN HB2 . 19613 1 203 . 1 1 24 24 ASN HB3 H 1 2.44 0.01 . 2 . . . A 24 ASN HB3 . 19613 1 204 . 1 1 24 24 ASN HD21 H 1 6.77 0.00 . 2 . . . A 24 ASN HD21 . 19613 1 205 . 1 1 24 24 ASN HD22 H 1 7.51 0.00 . 2 . . . A 24 ASN HD22 . 19613 1 206 . 1 1 24 24 ASN C C 13 173.28 0.02 . 1 . . . A 24 ASN C . 19613 1 207 . 1 1 24 24 ASN CA C 13 53.86 0.05 . 1 . . . A 24 ASN CA . 19613 1 208 . 1 1 24 24 ASN CB C 13 37.84 0.10 . 1 . . . A 24 ASN CB . 19613 1 209 . 1 1 24 24 ASN N N 15 113.77 0.04 . 1 . . . A 24 ASN N . 19613 1 210 . 1 1 24 24 ASN ND2 N 15 110.24 0.09 . 1 . . . A 24 ASN ND2 . 19613 1 211 . 1 1 25 25 ARG H H 1 7.10 0.01 . 1 . . . A 25 ARG H . 19613 1 212 . 1 1 25 25 ARG HA H 1 4.73 0.02 . 1 . . . A 25 ARG HA . 19613 1 213 . 1 1 25 25 ARG HB2 H 1 1.72 0.01 . 1 . . . A 25 ARG HB2 . 19613 1 214 . 1 1 25 25 ARG HB3 H 1 1.72 0.01 . 1 . . . A 25 ARG HB3 . 19613 1 215 . 1 1 25 25 ARG HG2 H 1 1.44 0.01 . 2 . . . A 25 ARG HG2 . 19613 1 216 . 1 1 25 25 ARG HG3 H 1 1.21 0.01 . 2 . . . A 25 ARG HG3 . 19613 1 217 . 1 1 25 25 ARG C C 13 172.74 0.00 . 1 . . . A 25 ARG C . 19613 1 218 . 1 1 25 25 ARG CA C 13 53.39 0.04 . 1 . . . A 25 ARG CA . 19613 1 219 . 1 1 25 25 ARG CB C 13 31.50 0.03 . 1 . . . A 25 ARG CB . 19613 1 220 . 1 1 25 25 ARG N N 15 113.22 0.08 . 1 . . . A 25 ARG N . 19613 1 221 . 1 1 26 26 PRO HA H 1 5.30 0.01 . 1 . . . A 26 PRO HA . 19613 1 222 . 1 1 26 26 PRO HB2 H 1 1.73 0.02 . 2 . . . A 26 PRO HB2 . 19613 1 223 . 1 1 26 26 PRO HB3 H 1 1.72 0.02 . 2 . . . A 26 PRO HB3 . 19613 1 224 . 1 1 26 26 PRO HD2 H 1 3.50 0.01 . 2 . . . A 26 PRO HD2 . 19613 1 225 . 1 1 26 26 PRO HD3 H 1 3.31 0.01 . 2 . . . A 26 PRO HD3 . 19613 1 226 . 1 1 26 26 PRO CA C 13 61.33 0.05 . 1 . . . A 26 PRO CA . 19613 1 227 . 1 1 26 26 PRO CB C 13 32.69 0.03 . 1 . . . A 26 PRO CB . 19613 1 228 . 1 1 26 26 PRO CG C 13 26.64 0.00 . 1 . . . A 26 PRO CG . 19613 1 229 . 1 1 26 26 PRO CD C 13 50.31 0.03 . 1 . . . A 26 PRO CD . 19613 1 230 . 1 1 27 27 TYR H H 1 9.04 0.01 . 1 . . . A 27 TYR H . 19613 1 231 . 1 1 27 27 TYR HA H 1 5.16 0.00 . 1 . . . A 27 TYR HA . 19613 1 232 . 1 1 27 27 TYR HB2 H 1 2.51 0.01 . 2 . . . A 27 TYR HB2 . 19613 1 233 . 1 1 27 27 TYR HB3 H 1 3.50 0.01 . 2 . . . A 27 TYR HB3 . 19613 1 234 . 1 1 27 27 TYR C C 13 175.96 0.01 . 1 . . . A 27 TYR C . 19613 1 235 . 1 1 27 27 TYR CA C 13 57.62 0.07 . 1 . . . A 27 TYR CA . 19613 1 236 . 1 1 27 27 TYR CB C 13 45.83 0.04 . 1 . . . A 27 TYR CB . 19613 1 237 . 1 1 27 27 TYR N N 15 118.56 0.03 . 1 . . . A 27 TYR N . 19613 1 238 . 1 1 28 28 SER H H 1 9.59 0.01 . 1 . . . A 28 SER H . 19613 1 239 . 1 1 28 28 SER HA H 1 5.29 0.01 . 1 . . . A 28 SER HA . 19613 1 240 . 1 1 28 28 SER HB2 H 1 3.87 0.00 . 1 . . . A 28 SER HB2 . 19613 1 241 . 1 1 28 28 SER HB3 H 1 3.87 0.00 . 1 . . . A 28 SER HB3 . 19613 1 242 . 1 1 28 28 SER C C 13 175.12 0.01 . 1 . . . A 28 SER C . 19613 1 243 . 1 1 28 28 SER CA C 13 56.79 0.05 . 1 . . . A 28 SER CA . 19613 1 244 . 1 1 28 28 SER CB C 13 65.29 0.20 . 1 . . . A 28 SER CB . 19613 1 245 . 1 1 28 28 SER N N 15 117.54 0.04 . 1 . . . A 28 SER N . 19613 1 246 . 1 1 29 29 ALA H H 1 9.83 0.00 . 1 . . . A 29 ALA H . 19613 1 247 . 1 1 29 29 ALA HA H 1 3.89 0.00 . 1 . . . A 29 ALA HA . 19613 1 248 . 1 1 29 29 ALA HB1 H 1 1.48 0.00 . 1 . . . A 29 ALA HB1 . 19613 1 249 . 1 1 29 29 ALA HB2 H 1 1.48 0.00 . 1 . . . A 29 ALA HB2 . 19613 1 250 . 1 1 29 29 ALA HB3 H 1 1.48 0.00 . 1 . . . A 29 ALA HB3 . 19613 1 251 . 1 1 29 29 ALA C C 13 179.57 0.01 . 1 . . . A 29 ALA C . 19613 1 252 . 1 1 29 29 ALA CA C 13 55.69 0.08 . 1 . . . A 29 ALA CA . 19613 1 253 . 1 1 29 29 ALA CB C 13 18.94 0.10 . 1 . . . A 29 ALA CB . 19613 1 254 . 1 1 29 29 ALA N N 15 122.48 0.02 . 1 . . . A 29 ALA N . 19613 1 255 . 1 1 30 30 GLN H H 1 8.58 0.01 . 1 . . . A 30 GLN H . 19613 1 256 . 1 1 30 30 GLN HA H 1 4.00 0.00 . 1 . . . A 30 GLN HA . 19613 1 257 . 1 1 30 30 GLN HB2 H 1 1.99 0.00 . 1 . . . A 30 GLN HB2 . 19613 1 258 . 1 1 30 30 GLN HB3 H 1 1.99 0.00 . 1 . . . A 30 GLN HB3 . 19613 1 259 . 1 1 30 30 GLN HG2 H 1 2.58 0.01 . 2 . . . A 30 GLN HG2 . 19613 1 260 . 1 1 30 30 GLN HG3 H 1 2.41 0.01 . 2 . . . A 30 GLN HG3 . 19613 1 261 . 1 1 30 30 GLN C C 13 178.11 0.05 . 1 . . . A 30 GLN C . 19613 1 262 . 1 1 30 30 GLN CA C 13 59.02 0.05 . 1 . . . A 30 GLN CA . 19613 1 263 . 1 1 30 30 GLN CB C 13 27.91 0.03 . 1 . . . A 30 GLN CB . 19613 1 264 . 1 1 30 30 GLN CG C 13 32.90 0.08 . 1 . . . A 30 GLN CG . 19613 1 265 . 1 1 30 30 GLN N N 15 116.68 0.10 . 1 . . . A 30 GLN N . 19613 1 266 . 1 1 31 31 ASP H H 1 7.95 0.01 . 1 . . . A 31 ASP H . 19613 1 267 . 1 1 31 31 ASP HA H 1 4.57 0.00 . 1 . . . A 31 ASP HA . 19613 1 268 . 1 1 31 31 ASP HB2 H 1 3.22 0.00 . 2 . . . A 31 ASP HB2 . 19613 1 269 . 1 1 31 31 ASP HB3 H 1 2.85 0.00 . 2 . . . A 31 ASP HB3 . 19613 1 270 . 1 1 31 31 ASP C C 13 178.00 0.02 . 1 . . . A 31 ASP C . 19613 1 271 . 1 1 31 31 ASP CA C 13 57.07 0.04 . 1 . . . A 31 ASP CA . 19613 1 272 . 1 1 31 31 ASP CB C 13 41.01 0.02 . 1 . . . A 31 ASP CB . 19613 1 273 . 1 1 31 31 ASP N N 15 120.54 0.10 . 1 . . . A 31 ASP N . 19613 1 274 . 1 1 32 32 VAL H H 1 8.22 0.01 . 1 . . . A 32 VAL H . 19613 1 275 . 1 1 32 32 VAL HA H 1 3.11 0.01 . 1 . . . A 32 VAL HA . 19613 1 276 . 1 1 32 32 VAL HB H 1 2.00 0.00 . 1 . . . A 32 VAL HB . 19613 1 277 . 1 1 32 32 VAL HG11 H 1 1.02 0.00 . 2 . . . A 32 VAL HG11 . 19613 1 278 . 1 1 32 32 VAL HG12 H 1 1.02 0.00 . 2 . . . A 32 VAL HG12 . 19613 1 279 . 1 1 32 32 VAL HG13 H 1 1.02 0.00 . 2 . . . A 32 VAL HG13 . 19613 1 280 . 1 1 32 32 VAL HG21 H 1 0.70 0.00 . 2 . . . A 32 VAL HG21 . 19613 1 281 . 1 1 32 32 VAL HG22 H 1 0.70 0.00 . 2 . . . A 32 VAL HG22 . 19613 1 282 . 1 1 32 32 VAL HG23 H 1 0.70 0.00 . 2 . . . A 32 VAL HG23 . 19613 1 283 . 1 1 32 32 VAL C C 13 176.70 0.07 . 1 . . . A 32 VAL C . 19613 1 284 . 1 1 32 32 VAL CA C 13 67.68 0.05 . 1 . . . A 32 VAL CA . 19613 1 285 . 1 1 32 32 VAL CB C 13 31.01 0.02 . 1 . . . A 32 VAL CB . 19613 1 286 . 1 1 32 32 VAL CG1 C 13 22.96 0.00 . 1 . . . A 32 VAL CG1 . 19613 1 287 . 1 1 32 32 VAL CG2 C 13 22.96 0.00 . 1 . . . A 32 VAL CG2 . 19613 1 288 . 1 1 32 32 VAL N N 15 120.05 0.05 . 1 . . . A 32 VAL N . 19613 1 289 . 1 1 33 33 PHE H H 1 8.29 0.01 . 1 . . . A 33 PHE H . 19613 1 290 . 1 1 33 33 PHE HA H 1 4.13 0.00 . 1 . . . A 33 PHE HA . 19613 1 291 . 1 1 33 33 PHE HB2 H 1 3.20 0.00 . 2 . . . A 33 PHE HB2 . 19613 1 292 . 1 1 33 33 PHE HB3 H 1 2.98 0.00 . 2 . . . A 33 PHE HB3 . 19613 1 293 . 1 1 33 33 PHE C C 13 177.34 0.03 . 1 . . . A 33 PHE C . 19613 1 294 . 1 1 33 33 PHE CA C 13 60.18 0.03 . 1 . . . A 33 PHE CA . 19613 1 295 . 1 1 33 33 PHE CB C 13 38.42 0.02 . 1 . . . A 33 PHE CB . 19613 1 296 . 1 1 33 33 PHE N N 15 116.98 0.04 . 1 . . . A 33 PHE N . 19613 1 297 . 1 1 34 34 GLY H H 1 8.56 0.01 . 1 . . . A 34 GLY H . 19613 1 298 . 1 1 34 34 GLY HA2 H 1 3.27 0.01 . 2 . . . A 34 GLY HA2 . 19613 1 299 . 1 1 34 34 GLY HA3 H 1 3.91 0.01 . 2 . . . A 34 GLY HA3 . 19613 1 300 . 1 1 34 34 GLY C C 13 176.44 0.00 . 1 . . . A 34 GLY C . 19613 1 301 . 1 1 34 34 GLY CA C 13 46.76 0.05 . 1 . . . A 34 GLY CA . 19613 1 302 . 1 1 34 34 GLY N N 15 105.97 0.03 . 1 . . . A 34 GLY N . 19613 1 303 . 1 1 35 35 ASN H H 1 8.27 0.00 . 1 . . . A 35 ASN H . 19613 1 304 . 1 1 35 35 ASN HA H 1 4.50 0.00 . 1 . . . A 35 ASN HA . 19613 1 305 . 1 1 35 35 ASN HB2 H 1 2.59 0.00 . 1 . . . A 35 ASN HB2 . 19613 1 306 . 1 1 35 35 ASN HB3 H 1 2.59 0.00 . 1 . . . A 35 ASN HB3 . 19613 1 307 . 1 1 35 35 ASN C C 13 177.08 0.02 . 1 . . . A 35 ASN C . 19613 1 308 . 1 1 35 35 ASN CA C 13 54.58 0.05 . 1 . . . A 35 ASN CA . 19613 1 309 . 1 1 35 35 ASN CB C 13 37.71 0.02 . 1 . . . A 35 ASN CB . 19613 1 310 . 1 1 35 35 ASN N N 15 119.33 0.02 . 1 . . . A 35 ASN N . 19613 1 311 . 1 1 36 36 LEU H H 1 7.45 0.01 . 1 . . . A 36 LEU H . 19613 1 312 . 1 1 36 36 LEU HA H 1 4.48 0.01 . 1 . . . A 36 LEU HA . 19613 1 313 . 1 1 36 36 LEU HB2 H 1 1.25 0.05 . 2 . . . A 36 LEU HB2 . 19613 1 314 . 1 1 36 36 LEU HB3 H 1 1.58 0.00 . 2 . . . A 36 LEU HB3 . 19613 1 315 . 1 1 36 36 LEU HD11 H 1 0.24 0.00 . 2 . . . A 36 LEU HD11 . 19613 1 316 . 1 1 36 36 LEU HD12 H 1 0.24 0.00 . 2 . . . A 36 LEU HD12 . 19613 1 317 . 1 1 36 36 LEU HD13 H 1 0.24 0.00 . 2 . . . A 36 LEU HD13 . 19613 1 318 . 1 1 36 36 LEU C C 13 177.99 0.01 . 1 . . . A 36 LEU C . 19613 1 319 . 1 1 36 36 LEU CA C 13 55.09 0.04 . 1 . . . A 36 LEU CA . 19613 1 320 . 1 1 36 36 LEU CB C 13 42.27 0.02 . 1 . . . A 36 LEU CB . 19613 1 321 . 1 1 36 36 LEU CD1 C 13 26.10 0.00 . 1 . . . A 36 LEU CD1 . 19613 1 322 . 1 1 36 36 LEU CD2 C 13 26.10 0.00 . 1 . . . A 36 LEU CD2 . 19613 1 323 . 1 1 36 36 LEU N N 15 117.96 0.05 . 1 . . . A 36 LEU N . 19613 1 324 . 1 1 37 37 GLN H H 1 7.31 0.00 . 1 . . . A 37 GLN H . 19613 1 325 . 1 1 37 37 GLN HA H 1 3.85 0.02 . 1 . . . A 37 GLN HA . 19613 1 326 . 1 1 37 37 GLN HB2 H 1 1.81 0.00 . 1 . . . A 37 GLN HB2 . 19613 1 327 . 1 1 37 37 GLN HB3 H 1 1.81 0.00 . 1 . . . A 37 GLN HB3 . 19613 1 328 . 1 1 37 37 GLN HG2 H 1 2.10 0.01 . 2 . . . A 37 GLN HG2 . 19613 1 329 . 1 1 37 37 GLN HG3 H 1 2.09 0.00 . 2 . . . A 37 GLN HG3 . 19613 1 330 . 1 1 37 37 GLN HE21 H 1 6.80 0.01 . 2 . . . A 37 GLN HE21 . 19613 1 331 . 1 1 37 37 GLN HE22 H 1 7.23 0.00 . 2 . . . A 37 GLN HE22 . 19613 1 332 . 1 1 37 37 GLN C C 13 178.24 0.01 . 1 . . . A 37 GLN C . 19613 1 333 . 1 1 37 37 GLN CA C 13 60.28 0.08 . 1 . . . A 37 GLN CA . 19613 1 334 . 1 1 37 37 GLN CB C 13 27.98 0.06 . 1 . . . A 37 GLN CB . 19613 1 335 . 1 1 37 37 GLN CG C 13 33.37 0.06 . 1 . . . A 37 GLN CG . 19613 1 336 . 1 1 37 37 GLN N N 15 121.19 0.04 . 1 . . . A 37 GLN N . 19613 1 337 . 1 1 37 37 GLN NE2 N 15 111.02 0.05 . 1 . . . A 37 GLN NE2 . 19613 1 338 . 1 1 38 38 LYS H H 1 8.50 0.00 . 1 . . . A 38 LYS H . 19613 1 339 . 1 1 38 38 LYS HA H 1 3.86 0.01 . 1 . . . A 38 LYS HA . 19613 1 340 . 1 1 38 38 LYS HB2 H 1 1.75 0.01 . 2 . . . A 38 LYS HB2 . 19613 1 341 . 1 1 38 38 LYS HB3 H 1 1.72 0.00 . 2 . . . A 38 LYS HB3 . 19613 1 342 . 1 1 38 38 LYS HG2 H 1 1.34 0.00 . 1 . . . A 38 LYS HG2 . 19613 1 343 . 1 1 38 38 LYS HG3 H 1 1.34 0.00 . 1 . . . A 38 LYS HG3 . 19613 1 344 . 1 1 38 38 LYS HD2 H 1 1.65 0.00 . 1 . . . A 38 LYS HD2 . 19613 1 345 . 1 1 38 38 LYS HD3 H 1 1.65 0.00 . 1 . . . A 38 LYS HD3 . 19613 1 346 . 1 1 38 38 LYS C C 13 178.09 0.03 . 1 . . . A 38 LYS C . 19613 1 347 . 1 1 38 38 LYS CA C 13 59.40 0.06 . 1 . . . A 38 LYS CA . 19613 1 348 . 1 1 38 38 LYS CB C 13 31.70 0.04 . 1 . . . A 38 LYS CB . 19613 1 349 . 1 1 38 38 LYS CG C 13 24.62 0.00 . 1 . . . A 38 LYS CG . 19613 1 350 . 1 1 38 38 LYS CD C 13 28.80 0.00 . 1 . . . A 38 LYS CD . 19613 1 351 . 1 1 38 38 LYS CE C 13 41.98 0.00 . 1 . . . A 38 LYS CE . 19613 1 352 . 1 1 38 38 LYS N N 15 119.59 0.04 . 1 . . . A 38 LYS N . 19613 1 353 . 1 1 39 39 GLU H H 1 8.29 0.01 . 1 . . . A 39 GLU H . 19613 1 354 . 1 1 39 39 GLU HA H 1 3.92 0.02 . 1 . . . A 39 GLU HA . 19613 1 355 . 1 1 39 39 GLU HB2 H 1 1.68 0.01 . 2 . . . A 39 GLU HB2 . 19613 1 356 . 1 1 39 39 GLU HB3 H 1 1.41 0.00 . 2 . . . A 39 GLU HB3 . 19613 1 357 . 1 1 39 39 GLU HG2 H 1 1.87 0.01 . 2 . . . A 39 GLU HG2 . 19613 1 358 . 1 1 39 39 GLU HG3 H 1 1.57 0.02 . 2 . . . A 39 GLU HG3 . 19613 1 359 . 1 1 39 39 GLU C C 13 176.58 1.20 . 1 . . . A 39 GLU C . 19613 1 360 . 1 1 39 39 GLU CA C 13 58.25 0.04 . 1 . . . A 39 GLU CA . 19613 1 361 . 1 1 39 39 GLU CB C 13 30.48 0.05 . 1 . . . A 39 GLU CB . 19613 1 362 . 1 1 39 39 GLU CG C 13 35.86 0.06 . 1 . . . A 39 GLU CG . 19613 1 363 . 1 1 39 39 GLU N N 15 116.72 0.05 . 1 . . . A 39 GLU N . 19613 1 364 . 1 1 40 40 HIS H H 1 7.64 0.01 . 1 . . . A 40 HIS H . 19613 1 365 . 1 1 40 40 HIS HA H 1 4.71 0.03 . 1 . . . A 40 HIS HA . 19613 1 366 . 1 1 40 40 HIS HB2 H 1 2.99 0.01 . 2 . . . A 40 HIS HB2 . 19613 1 367 . 1 1 40 40 HIS HB3 H 1 2.84 0.02 . 2 . . . A 40 HIS HB3 . 19613 1 368 . 1 1 40 40 HIS C C 13 176.97 0.01 . 1 . . . A 40 HIS C . 19613 1 369 . 1 1 40 40 HIS CA C 13 56.63 0.06 . 1 . . . A 40 HIS CA . 19613 1 370 . 1 1 40 40 HIS CB C 13 32.97 0.09 . 1 . . . A 40 HIS CB . 19613 1 371 . 1 1 40 40 HIS N N 15 112.64 0.04 . 1 . . . A 40 HIS N . 19613 1 372 . 1 1 41 41 GLY H H 1 8.10 0.01 . 1 . . . A 41 GLY H . 19613 1 373 . 1 1 41 41 GLY HA2 H 1 3.77 0.14 . 2 . . . A 41 GLY HA2 . 19613 1 374 . 1 1 41 41 GLY HA3 H 1 3.87 0.02 . 2 . . . A 41 GLY HA3 . 19613 1 375 . 1 1 41 41 GLY C C 13 174.56 0.00 . 1 . . . A 41 GLY C . 19613 1 376 . 1 1 41 41 GLY CA C 13 47.18 0.07 . 1 . . . A 41 GLY CA . 19613 1 377 . 1 1 41 41 GLY N N 15 108.21 0.04 . 1 . . . A 41 GLY N . 19613 1 378 . 1 1 42 42 LEU H H 1 6.85 0.01 . 1 . . . A 42 LEU H . 19613 1 379 . 1 1 42 42 LEU HA H 1 4.31 0.01 . 1 . . . A 42 LEU HA . 19613 1 380 . 1 1 42 42 LEU HB2 H 1 1.21 0.01 . 2 . . . A 42 LEU HB2 . 19613 1 381 . 1 1 42 42 LEU HB3 H 1 1.73 0.01 . 2 . . . A 42 LEU HB3 . 19613 1 382 . 1 1 42 42 LEU HG H 1 1.44 0.00 . 1 . . . A 42 LEU HG . 19613 1 383 . 1 1 42 42 LEU HD11 H 1 0.77 0.02 . 2 . . . A 42 LEU HD11 . 19613 1 384 . 1 1 42 42 LEU HD12 H 1 0.77 0.02 . 2 . . . A 42 LEU HD12 . 19613 1 385 . 1 1 42 42 LEU HD13 H 1 0.77 0.02 . 2 . . . A 42 LEU HD13 . 19613 1 386 . 1 1 42 42 LEU HD21 H 1 0.66 0.10 . 2 . . . A 42 LEU HD21 . 19613 1 387 . 1 1 42 42 LEU HD22 H 1 0.66 0.10 . 2 . . . A 42 LEU HD22 . 19613 1 388 . 1 1 42 42 LEU HD23 H 1 0.66 0.10 . 2 . . . A 42 LEU HD23 . 19613 1 389 . 1 1 42 42 LEU C C 13 177.79 0.01 . 1 . . . A 42 LEU C . 19613 1 390 . 1 1 42 42 LEU CA C 13 54.41 0.04 . 1 . . . A 42 LEU CA . 19613 1 391 . 1 1 42 42 LEU CB C 13 42.82 0.05 . 1 . . . A 42 LEU CB . 19613 1 392 . 1 1 42 42 LEU CG C 13 25.32 0.03 . 1 . . . A 42 LEU CG . 19613 1 393 . 1 1 42 42 LEU CD1 C 13 22.28 0.04 . 2 . . . A 42 LEU CD1 . 19613 1 394 . 1 1 42 42 LEU CD2 C 13 22.27 0.00 . 2 . . . A 42 LEU CD2 . 19613 1 395 . 1 1 42 42 LEU N N 15 117.30 0.02 . 1 . . . A 42 LEU N . 19613 1 396 . 1 1 43 43 GLY H H 1 8.69 0.01 . 1 . . . A 43 GLY H . 19613 1 397 . 1 1 43 43 GLY HA2 H 1 3.91 0.02 . 2 . . . A 43 GLY HA2 . 19613 1 398 . 1 1 43 43 GLY HA3 H 1 4.32 0.01 . 2 . . . A 43 GLY HA3 . 19613 1 399 . 1 1 43 43 GLY C C 13 173.63 0.00 . 1 . . . A 43 GLY C . 19613 1 400 . 1 1 43 43 GLY CA C 13 44.34 0.02 . 1 . . . A 43 GLY CA . 19613 1 401 . 1 1 43 43 GLY N N 15 109.45 0.03 . 1 . . . A 43 GLY N . 19613 1 402 . 1 1 44 44 LYS H H 1 8.32 0.00 . 1 . . . A 44 LYS H . 19613 1 403 . 1 1 44 44 LYS HA H 1 3.18 0.00 . 1 . . . A 44 LYS HA . 19613 1 404 . 1 1 44 44 LYS HB2 H 1 1.27 0.00 . 1 . . . A 44 LYS HB2 . 19613 1 405 . 1 1 44 44 LYS HB3 H 1 1.27 0.00 . 1 . . . A 44 LYS HB3 . 19613 1 406 . 1 1 44 44 LYS HG2 H 1 0.64 0.00 . 1 . . . A 44 LYS HG2 . 19613 1 407 . 1 1 44 44 LYS HG3 H 1 0.64 0.00 . 1 . . . A 44 LYS HG3 . 19613 1 408 . 1 1 44 44 LYS HE2 H 1 2.59 0.00 . 2 . . . A 44 LYS HE2 . 19613 1 409 . 1 1 44 44 LYS HE3 H 1 2.54 0.00 . 2 . . . A 44 LYS HE3 . 19613 1 410 . 1 1 44 44 LYS C C 13 177.96 0.02 . 1 . . . A 44 LYS C . 19613 1 411 . 1 1 44 44 LYS CA C 13 60.45 0.02 . 1 . . . A 44 LYS CA . 19613 1 412 . 1 1 44 44 LYS CB C 13 30.95 0.14 . 1 . . . A 44 LYS CB . 19613 1 413 . 1 1 44 44 LYS CG C 13 24.37 0.05 . 1 . . . A 44 LYS CG . 19613 1 414 . 1 1 44 44 LYS CD C 13 28.43 0.00 . 1 . . . A 44 LYS CD . 19613 1 415 . 1 1 44 44 LYS CE C 13 41.98 0.00 . 1 . . . A 44 LYS CE . 19613 1 416 . 1 1 44 44 LYS N N 15 123.13 0.02 . 1 . . . A 44 LYS N . 19613 1 417 . 1 1 45 45 ALA H H 1 8.36 0.00 . 1 . . . A 45 ALA H . 19613 1 418 . 1 1 45 45 ALA HA H 1 3.97 0.01 . 1 . . . A 45 ALA HA . 19613 1 419 . 1 1 45 45 ALA HB1 H 1 1.33 0.00 . 1 . . . A 45 ALA HB1 . 19613 1 420 . 1 1 45 45 ALA HB2 H 1 1.33 0.00 . 1 . . . A 45 ALA HB2 . 19613 1 421 . 1 1 45 45 ALA HB3 H 1 1.33 0.00 . 1 . . . A 45 ALA HB3 . 19613 1 422 . 1 1 45 45 ALA C C 13 180.32 0.01 . 1 . . . A 45 ALA C . 19613 1 423 . 1 1 45 45 ALA CA C 13 54.98 0.06 . 1 . . . A 45 ALA CA . 19613 1 424 . 1 1 45 45 ALA CB C 13 17.38 0.06 . 1 . . . A 45 ALA CB . 19613 1 425 . 1 1 45 45 ALA N N 15 119.15 0.02 . 1 . . . A 45 ALA N . 19613 1 426 . 1 1 46 46 ALA H H 1 7.53 0.01 . 1 . . . A 46 ALA H . 19613 1 427 . 1 1 46 46 ALA HA H 1 4.03 0.00 . 1 . . . A 46 ALA HA . 19613 1 428 . 1 1 46 46 ALA HB1 H 1 1.44 0.00 . 1 . . . A 46 ALA HB1 . 19613 1 429 . 1 1 46 46 ALA HB2 H 1 1.44 0.00 . 1 . . . A 46 ALA HB2 . 19613 1 430 . 1 1 46 46 ALA HB3 H 1 1.44 0.00 . 1 . . . A 46 ALA HB3 . 19613 1 431 . 1 1 46 46 ALA C C 13 180.76 0.02 . 1 . . . A 46 ALA C . 19613 1 432 . 1 1 46 46 ALA CA C 13 54.53 0.07 . 1 . . . A 46 ALA CA . 19613 1 433 . 1 1 46 46 ALA CB C 13 18.07 0.08 . 1 . . . A 46 ALA CB . 19613 1 434 . 1 1 46 46 ALA N N 15 120.56 0.02 . 1 . . . A 46 ALA N . 19613 1 435 . 1 1 47 47 VAL H H 1 7.91 0.00 . 1 . . . A 47 VAL H . 19613 1 436 . 1 1 47 47 VAL HA H 1 3.38 0.00 . 1 . . . A 47 VAL HA . 19613 1 437 . 1 1 47 47 VAL HB H 1 2.29 0.00 . 1 . . . A 47 VAL HB . 19613 1 438 . 1 1 47 47 VAL HG11 H 1 1.01 0.00 . 2 . . . A 47 VAL HG11 . 19613 1 439 . 1 1 47 47 VAL HG12 H 1 1.01 0.00 . 2 . . . A 47 VAL HG12 . 19613 1 440 . 1 1 47 47 VAL HG13 H 1 1.01 0.00 . 2 . . . A 47 VAL HG13 . 19613 1 441 . 1 1 47 47 VAL HG21 H 1 0.91 0.00 . 2 . . . A 47 VAL HG21 . 19613 1 442 . 1 1 47 47 VAL HG22 H 1 0.91 0.00 . 2 . . . A 47 VAL HG22 . 19613 1 443 . 1 1 47 47 VAL HG23 H 1 0.91 0.00 . 2 . . . A 47 VAL HG23 . 19613 1 444 . 1 1 47 47 VAL C C 13 176.86 0.00 . 1 . . . A 47 VAL C . 19613 1 445 . 1 1 47 47 VAL CA C 13 66.72 0.08 . 1 . . . A 47 VAL CA . 19613 1 446 . 1 1 47 47 VAL CB C 13 31.42 0.02 . 1 . . . A 47 VAL CB . 19613 1 447 . 1 1 47 47 VAL CG1 C 13 23.76 0.00 . 2 . . . A 47 VAL CG1 . 19613 1 448 . 1 1 47 47 VAL CG2 C 13 21.40 0.00 . 2 . . . A 47 VAL CG2 . 19613 1 449 . 1 1 47 47 VAL N N 15 120.28 0.02 . 1 . . . A 47 VAL N . 19613 1 450 . 1 1 48 48 VAL H H 1 8.24 0.00 . 1 . . . A 48 VAL H . 19613 1 451 . 1 1 48 48 VAL HA H 1 3.35 0.00 . 1 . . . A 48 VAL HA . 19613 1 452 . 1 1 48 48 VAL HB H 1 2.01 0.01 . 1 . . . A 48 VAL HB . 19613 1 453 . 1 1 48 48 VAL HG11 H 1 0.92 0.00 . 2 . . . A 48 VAL HG11 . 19613 1 454 . 1 1 48 48 VAL HG12 H 1 0.92 0.00 . 2 . . . A 48 VAL HG12 . 19613 1 455 . 1 1 48 48 VAL HG13 H 1 0.92 0.00 . 2 . . . A 48 VAL HG13 . 19613 1 456 . 1 1 48 48 VAL HG21 H 1 0.92 0.00 . 2 . . . A 48 VAL HG21 . 19613 1 457 . 1 1 48 48 VAL HG22 H 1 0.92 0.00 . 2 . . . A 48 VAL HG22 . 19613 1 458 . 1 1 48 48 VAL HG23 H 1 0.92 0.00 . 2 . . . A 48 VAL HG23 . 19613 1 459 . 1 1 48 48 VAL C C 13 178.20 0.03 . 1 . . . A 48 VAL C . 19613 1 460 . 1 1 48 48 VAL CA C 13 66.86 0.08 . 1 . . . A 48 VAL CA . 19613 1 461 . 1 1 48 48 VAL CB C 13 31.98 0.12 . 1 . . . A 48 VAL CB . 19613 1 462 . 1 1 48 48 VAL CG1 C 13 22.71 0.00 . 2 . . . A 48 VAL CG1 . 19613 1 463 . 1 1 48 48 VAL CG2 C 13 20.28 0.00 . 2 . . . A 48 VAL CG2 . 19613 1 464 . 1 1 48 48 VAL N N 15 119.37 0.02 . 1 . . . A 48 VAL N . 19613 1 465 . 1 1 49 49 LYS H H 1 7.83 0.01 . 1 . . . A 49 LYS H . 19613 1 466 . 1 1 49 49 LYS HA H 1 4.08 0.01 . 1 . . . A 49 LYS HA . 19613 1 467 . 1 1 49 49 LYS HB2 H 1 1.78 0.03 . 2 . . . A 49 LYS HB2 . 19613 1 468 . 1 1 49 49 LYS HB3 H 1 1.76 0.00 . 2 . . . A 49 LYS HB3 . 19613 1 469 . 1 1 49 49 LYS HD2 H 1 1.63 0.01 . 2 . . . A 49 LYS HD2 . 19613 1 470 . 1 1 49 49 LYS HD3 H 1 1.62 0.00 . 2 . . . A 49 LYS HD3 . 19613 1 471 . 1 1 49 49 LYS HE2 H 1 2.94 0.00 . 1 . . . A 49 LYS HE2 . 19613 1 472 . 1 1 49 49 LYS HE3 H 1 2.94 0.00 . 1 . . . A 49 LYS HE3 . 19613 1 473 . 1 1 49 49 LYS C C 13 178.92 0.01 . 1 . . . A 49 LYS C . 19613 1 474 . 1 1 49 49 LYS CA C 13 58.99 0.03 . 1 . . . A 49 LYS CA . 19613 1 475 . 1 1 49 49 LYS CB C 13 32.52 0.07 . 1 . . . A 49 LYS CB . 19613 1 476 . 1 1 49 49 LYS CG C 13 24.61 0.00 . 1 . . . A 49 LYS CG . 19613 1 477 . 1 1 49 49 LYS CD C 13 29.04 0.03 . 1 . . . A 49 LYS CD . 19613 1 478 . 1 1 49 49 LYS CE C 13 42.13 0.00 . 1 . . . A 49 LYS CE . 19613 1 479 . 1 1 49 49 LYS N N 15 117.64 0.08 . 1 . . . A 49 LYS N . 19613 1 480 . 1 1 50 50 ALA H H 1 7.92 0.01 . 1 . . . A 50 ALA H . 19613 1 481 . 1 1 50 50 ALA HA H 1 4.06 0.00 . 1 . . . A 50 ALA HA . 19613 1 482 . 1 1 50 50 ALA HB1 H 1 1.25 0.01 . 1 . . . A 50 ALA HB1 . 19613 1 483 . 1 1 50 50 ALA HB2 H 1 1.25 0.01 . 1 . . . A 50 ALA HB2 . 19613 1 484 . 1 1 50 50 ALA HB3 H 1 1.25 0.01 . 1 . . . A 50 ALA HB3 . 19613 1 485 . 1 1 50 50 ALA C C 13 179.39 0.01 . 1 . . . A 50 ALA C . 19613 1 486 . 1 1 50 50 ALA CA C 13 54.80 0.05 . 1 . . . A 50 ALA CA . 19613 1 487 . 1 1 50 50 ALA CB C 13 19.00 0.09 . 1 . . . A 50 ALA CB . 19613 1 488 . 1 1 50 50 ALA N N 15 120.81 0.03 . 1 . . . A 50 ALA N . 19613 1 489 . 1 1 51 51 LEU H H 1 8.21 0.00 . 1 . . . A 51 LEU H . 19613 1 490 . 1 1 51 51 LEU HA H 1 3.56 0.01 . 1 . . . A 51 LEU HA . 19613 1 491 . 1 1 51 51 LEU HB2 H 1 1.46 0.00 . 2 . . . A 51 LEU HB2 . 19613 1 492 . 1 1 51 51 LEU HB3 H 1 1.45 0.01 . 2 . . . A 51 LEU HB3 . 19613 1 493 . 1 1 51 51 LEU HG H 1 0.48 0.01 . 1 . . . A 51 LEU HG . 19613 1 494 . 1 1 51 51 LEU HD11 H 1 0.27 0.00 . 2 . . . A 51 LEU HD11 . 19613 1 495 . 1 1 51 51 LEU HD12 H 1 0.27 0.00 . 2 . . . A 51 LEU HD12 . 19613 1 496 . 1 1 51 51 LEU HD13 H 1 0.27 0.00 . 2 . . . A 51 LEU HD13 . 19613 1 497 . 1 1 51 51 LEU HD21 H 1 0.04 0.02 . 2 . . . A 51 LEU HD21 . 19613 1 498 . 1 1 51 51 LEU HD22 H 1 0.04 0.02 . 2 . . . A 51 LEU HD22 . 19613 1 499 . 1 1 51 51 LEU HD23 H 1 0.04 0.02 . 2 . . . A 51 LEU HD23 . 19613 1 500 . 1 1 51 51 LEU C C 13 177.80 0.01 . 1 . . . A 51 LEU C . 19613 1 501 . 1 1 51 51 LEU CA C 13 58.21 0.05 . 1 . . . A 51 LEU CA . 19613 1 502 . 1 1 51 51 LEU CB C 13 40.29 0.01 . 1 . . . A 51 LEU CB . 19613 1 503 . 1 1 51 51 LEU CG C 13 26.48 0.19 . 1 . . . A 51 LEU CG . 19613 1 504 . 1 1 51 51 LEU CD1 C 13 23.80 0.00 . 1 . . . A 51 LEU CD1 . 19613 1 505 . 1 1 51 51 LEU CD2 C 13 23.80 0.00 . 1 . . . A 51 LEU CD2 . 19613 1 506 . 1 1 51 51 LEU N N 15 118.51 0.03 . 1 . . . A 51 LEU N . 19613 1 507 . 1 1 52 52 ASP H H 1 7.71 0.01 . 1 . . . A 52 ASP H . 19613 1 508 . 1 1 52 52 ASP HA H 1 4.52 0.02 . 1 . . . A 52 ASP HA . 19613 1 509 . 1 1 52 52 ASP HB2 H 1 2.69 0.00 . 2 . . . A 52 ASP HB2 . 19613 1 510 . 1 1 52 52 ASP HB3 H 1 2.68 0.01 . 2 . . . A 52 ASP HB3 . 19613 1 511 . 1 1 52 52 ASP C C 13 178.80 0.00 . 1 . . . A 52 ASP C . 19613 1 512 . 1 1 52 52 ASP CA C 13 57.40 0.16 . 1 . . . A 52 ASP CA . 19613 1 513 . 1 1 52 52 ASP CB C 13 40.91 0.09 . 1 . . . A 52 ASP CB . 19613 1 514 . 1 1 52 52 ASP N N 15 116.94 0.10 . 1 . . . A 52 ASP N . 19613 1 515 . 1 1 53 53 GLN H H 1 8.20 0.01 . 1 . . . A 53 GLN H . 19613 1 516 . 1 1 53 53 GLN HA H 1 3.98 0.01 . 1 . . . A 53 GLN HA . 19613 1 517 . 1 1 53 53 GLN HB2 H 1 2.21 0.00 . 1 . . . A 53 GLN HB2 . 19613 1 518 . 1 1 53 53 GLN HB3 H 1 2.21 0.00 . 1 . . . A 53 GLN HB3 . 19613 1 519 . 1 1 53 53 GLN HG2 H 1 2.44 0.00 . 1 . . . A 53 GLN HG2 . 19613 1 520 . 1 1 53 53 GLN HG3 H 1 2.44 0.00 . 1 . . . A 53 GLN HG3 . 19613 1 521 . 1 1 53 53 GLN HE21 H 1 6.69 0.00 . 2 . . . A 53 GLN HE21 . 19613 1 522 . 1 1 53 53 GLN HE22 H 1 7.85 0.00 . 2 . . . A 53 GLN HE22 . 19613 1 523 . 1 1 53 53 GLN C C 13 178.31 0.03 . 1 . . . A 53 GLN C . 19613 1 524 . 1 1 53 53 GLN CA C 13 59.37 0.04 . 1 . . . A 53 GLN CA . 19613 1 525 . 1 1 53 53 GLN CB C 13 28.34 0.09 . 1 . . . A 53 GLN CB . 19613 1 526 . 1 1 53 53 GLN CG C 13 33.09 0.05 . 1 . . . A 53 GLN CG . 19613 1 527 . 1 1 53 53 GLN N N 15 120.36 0.09 . 1 . . . A 53 GLN N . 19613 1 528 . 1 1 53 53 GLN NE2 N 15 111.25 0.08 . 1 . . . A 53 GLN NE2 . 19613 1 529 . 1 1 54 54 LEU H H 1 8.50 0.01 . 1 . . . A 54 LEU H . 19613 1 530 . 1 1 54 54 LEU HA H 1 3.98 0.02 . 1 . . . A 54 LEU HA . 19613 1 531 . 1 1 54 54 LEU HB2 H 1 1.94 0.00 . 2 . . . A 54 LEU HB2 . 19613 1 532 . 1 1 54 54 LEU HB3 H 1 1.52 0.42 . 2 . . . A 54 LEU HB3 . 19613 1 533 . 1 1 54 54 LEU HG H 1 1.12 0.00 . 1 . . . A 54 LEU HG . 19613 1 534 . 1 1 54 54 LEU C C 13 179.66 0.01 . 1 . . . A 54 LEU C . 19613 1 535 . 1 1 54 54 LEU CA C 13 57.75 0.03 . 1 . . . A 54 LEU CA . 19613 1 536 . 1 1 54 54 LEU CB C 13 43.44 0.03 . 1 . . . A 54 LEU CB . 19613 1 537 . 1 1 54 54 LEU CD1 C 13 25.12 0.00 . 2 . . . A 54 LEU CD1 . 19613 1 538 . 1 1 54 54 LEU CD2 C 13 23.45 0.00 . 2 . . . A 54 LEU CD2 . 19613 1 539 . 1 1 54 54 LEU N N 15 118.99 0.02 . 1 . . . A 54 LEU N . 19613 1 540 . 1 1 55 55 ALA H H 1 8.35 0.01 . 1 . . . A 55 ALA H . 19613 1 541 . 1 1 55 55 ALA HA H 1 4.37 0.02 . 1 . . . A 55 ALA HA . 19613 1 542 . 1 1 55 55 ALA HB1 H 1 1.53 0.01 . 1 . . . A 55 ALA HB1 . 19613 1 543 . 1 1 55 55 ALA HB2 H 1 1.53 0.01 . 1 . . . A 55 ALA HB2 . 19613 1 544 . 1 1 55 55 ALA HB3 H 1 1.53 0.01 . 1 . . . A 55 ALA HB3 . 19613 1 545 . 1 1 55 55 ALA C C 13 181.94 0.00 . 1 . . . A 55 ALA C . 19613 1 546 . 1 1 55 55 ALA CA C 13 54.71 0.03 . 1 . . . A 55 ALA CA . 19613 1 547 . 1 1 55 55 ALA CB C 13 17.59 0.07 . 1 . . . A 55 ALA CB . 19613 1 548 . 1 1 55 55 ALA N N 15 122.27 0.04 . 1 . . . A 55 ALA N . 19613 1 549 . 1 1 56 56 GLN H H 1 8.61 0.00 . 1 . . . A 56 GLN H . 19613 1 550 . 1 1 56 56 GLN HA H 1 4.07 0.01 . 1 . . . A 56 GLN HA . 19613 1 551 . 1 1 56 56 GLN HB2 H 1 2.23 0.00 . 1 . . . A 56 GLN HB2 . 19613 1 552 . 1 1 56 56 GLN HB3 H 1 2.23 0.00 . 1 . . . A 56 GLN HB3 . 19613 1 553 . 1 1 56 56 GLN HG2 H 1 2.50 0.00 . 1 . . . A 56 GLN HG2 . 19613 1 554 . 1 1 56 56 GLN HG3 H 1 2.50 0.00 . 1 . . . A 56 GLN HG3 . 19613 1 555 . 1 1 56 56 GLN HE21 H 1 6.79 0.00 . 2 . . . A 56 GLN HE21 . 19613 1 556 . 1 1 56 56 GLN HE22 H 1 7.57 0.00 . 2 . . . A 56 GLN HE22 . 19613 1 557 . 1 1 56 56 GLN C C 13 178.84 0.01 . 1 . . . A 56 GLN C . 19613 1 558 . 1 1 56 56 GLN CA C 13 59.18 0.02 . 1 . . . A 56 GLN CA . 19613 1 559 . 1 1 56 56 GLN CB C 13 28.05 0.15 . 1 . . . A 56 GLN CB . 19613 1 560 . 1 1 56 56 GLN CG C 13 33.85 0.00 . 1 . . . A 56 GLN CG . 19613 1 561 . 1 1 56 56 GLN N N 15 122.32 0.02 . 1 . . . A 56 GLN N . 19613 1 562 . 1 1 56 56 GLN NE2 N 15 112.22 0.08 . 1 . . . A 56 GLN NE2 . 19613 1 563 . 1 1 57 57 GLU H H 1 8.06 0.01 . 1 . . . A 57 GLU H . 19613 1 564 . 1 1 57 57 GLU HA H 1 4.22 0.02 . 1 . . . A 57 GLU HA . 19613 1 565 . 1 1 57 57 GLU HB2 H 1 2.30 0.00 . 2 . . . A 57 GLU HB2 . 19613 1 566 . 1 1 57 57 GLU HB3 H 1 2.13 0.00 . 2 . . . A 57 GLU HB3 . 19613 1 567 . 1 1 57 57 GLU HG2 H 1 2.62 0.00 . 1 . . . A 57 GLU HG2 . 19613 1 568 . 1 1 57 57 GLU HG3 H 1 2.62 0.00 . 1 . . . A 57 GLU HG3 . 19613 1 569 . 1 1 57 57 GLU C C 13 177.00 0.01 . 1 . . . A 57 GLU C . 19613 1 570 . 1 1 57 57 GLU CA C 13 56.68 0.15 . 1 . . . A 57 GLU CA . 19613 1 571 . 1 1 57 57 GLU CB C 13 30.79 0.00 . 1 . . . A 57 GLU CB . 19613 1 572 . 1 1 57 57 GLU CG C 13 36.65 0.00 . 1 . . . A 57 GLU CG . 19613 1 573 . 1 1 57 57 GLU N N 15 115.89 0.03 . 1 . . . A 57 GLU N . 19613 1 574 . 1 1 58 58 GLY H H 1 7.92 0.00 . 1 . . . A 58 GLY H . 19613 1 575 . 1 1 58 58 GLY HA2 H 1 3.93 0.01 . 2 . . . A 58 GLY HA2 . 19613 1 576 . 1 1 58 58 GLY HA3 H 1 4.18 0.01 . 2 . . . A 58 GLY HA3 . 19613 1 577 . 1 1 58 58 GLY C C 13 174.34 0.00 . 1 . . . A 58 GLY C . 19613 1 578 . 1 1 58 58 GLY CA C 13 45.58 0.04 . 1 . . . A 58 GLY CA . 19613 1 579 . 1 1 58 58 GLY N N 15 107.44 0.03 . 1 . . . A 58 GLY N . 19613 1 580 . 1 1 59 59 LYS H H 1 8.17 0.01 . 1 . . . A 59 LYS H . 19613 1 581 . 1 1 59 59 LYS HA H 1 4.16 0.01 . 1 . . . A 59 LYS HA . 19613 1 582 . 1 1 59 59 LYS HB2 H 1 1.91 0.00 . 1 . . . A 59 LYS HB2 . 19613 1 583 . 1 1 59 59 LYS HB3 H 1 1.91 0.00 . 1 . . . A 59 LYS HB3 . 19613 1 584 . 1 1 59 59 LYS HG2 H 1 1.41 0.00 . 1 . . . A 59 LYS HG2 . 19613 1 585 . 1 1 59 59 LYS HG3 H 1 1.41 0.00 . 1 . . . A 59 LYS HG3 . 19613 1 586 . 1 1 59 59 LYS HD2 H 1 1.64 0.00 . 1 . . . A 59 LYS HD2 . 19613 1 587 . 1 1 59 59 LYS HD3 H 1 1.64 0.00 . 1 . . . A 59 LYS HD3 . 19613 1 588 . 1 1 59 59 LYS HE2 H 1 2.93 0.00 . 1 . . . A 59 LYS HE2 . 19613 1 589 . 1 1 59 59 LYS HE3 H 1 2.93 0.00 . 1 . . . A 59 LYS HE3 . 19613 1 590 . 1 1 59 59 LYS C C 13 176.15 0.10 . 1 . . . A 59 LYS C . 19613 1 591 . 1 1 59 59 LYS CA C 13 57.79 0.04 . 1 . . . A 59 LYS CA . 19613 1 592 . 1 1 59 59 LYS CB C 13 34.18 0.01 . 1 . . . A 59 LYS CB . 19613 1 593 . 1 1 59 59 LYS CG C 13 26.31 0.00 . 1 . . . A 59 LYS CG . 19613 1 594 . 1 1 59 59 LYS CD C 13 29.01 0.00 . 1 . . . A 59 LYS CD . 19613 1 595 . 1 1 59 59 LYS CE C 13 42.46 0.00 . 1 . . . A 59 LYS CE . 19613 1 596 . 1 1 59 59 LYS N N 15 118.19 0.10 . 1 . . . A 59 LYS N . 19613 1 597 . 1 1 60 60 ILE H H 1 7.14 0.01 . 1 . . . A 60 ILE H . 19613 1 598 . 1 1 60 60 ILE HA H 1 4.57 0.01 . 1 . . . A 60 ILE HA . 19613 1 599 . 1 1 60 60 ILE HB H 1 1.82 0.06 . 1 . . . A 60 ILE HB . 19613 1 600 . 1 1 60 60 ILE HG12 H 1 1.12 0.09 . 2 . . . A 60 ILE HG12 . 19613 1 601 . 1 1 60 60 ILE HG13 H 1 1.11 0.00 . 2 . . . A 60 ILE HG13 . 19613 1 602 . 1 1 60 60 ILE HG21 H 1 0.75 0.02 . 1 . . . A 60 ILE HG21 . 19613 1 603 . 1 1 60 60 ILE HG22 H 1 0.75 0.02 . 1 . . . A 60 ILE HG22 . 19613 1 604 . 1 1 60 60 ILE HG23 H 1 0.75 0.02 . 1 . . . A 60 ILE HG23 . 19613 1 605 . 1 1 60 60 ILE HD11 H 1 0.63 0.01 . 1 . . . A 60 ILE HD11 . 19613 1 606 . 1 1 60 60 ILE HD12 H 1 0.63 0.01 . 1 . . . A 60 ILE HD12 . 19613 1 607 . 1 1 60 60 ILE HD13 H 1 0.63 0.01 . 1 . . . A 60 ILE HD13 . 19613 1 608 . 1 1 60 60 ILE C C 13 172.90 0.01 . 1 . . . A 60 ILE C . 19613 1 609 . 1 1 60 60 ILE CA C 13 58.54 0.05 . 1 . . . A 60 ILE CA . 19613 1 610 . 1 1 60 60 ILE CB C 13 40.91 0.08 . 1 . . . A 60 ILE CB . 19613 1 611 . 1 1 60 60 ILE CG1 C 13 23.34 0.00 . 1 . . . A 60 ILE CG1 . 19613 1 612 . 1 1 60 60 ILE CG2 C 13 18.23 0.15 . 1 . . . A 60 ILE CG2 . 19613 1 613 . 1 1 60 60 ILE CD1 C 13 15.56 0.12 . 1 . . . A 60 ILE CD1 . 19613 1 614 . 1 1 60 60 ILE N N 15 107.86 0.02 . 1 . . . A 60 ILE N . 19613 1 615 . 1 1 61 61 LYS H H 1 8.67 0.01 . 1 . . . A 61 LYS H . 19613 1 616 . 1 1 61 61 LYS HA H 1 4.41 0.01 . 1 . . . A 61 LYS HA . 19613 1 617 . 1 1 61 61 LYS HB2 H 1 1.52 0.00 . 1 . . . A 61 LYS HB2 . 19613 1 618 . 1 1 61 61 LYS HB3 H 1 1.52 0.00 . 1 . . . A 61 LYS HB3 . 19613 1 619 . 1 1 61 61 LYS HG2 H 1 1.21 0.01 . 2 . . . A 61 LYS HG2 . 19613 1 620 . 1 1 61 61 LYS HG3 H 1 1.23 0.00 . 2 . . . A 61 LYS HG3 . 19613 1 621 . 1 1 61 61 LYS HD2 H 1 1.46 0.00 . 1 . . . A 61 LYS HD2 . 19613 1 622 . 1 1 61 61 LYS HD3 H 1 1.46 0.00 . 1 . . . A 61 LYS HD3 . 19613 1 623 . 1 1 61 61 LYS HE2 H 1 2.91 0.00 . 1 . . . A 61 LYS HE2 . 19613 1 624 . 1 1 61 61 LYS HE3 H 1 2.91 0.00 . 1 . . . A 61 LYS HE3 . 19613 1 625 . 1 1 61 61 LYS C C 13 173.93 0.01 . 1 . . . A 61 LYS C . 19613 1 626 . 1 1 61 61 LYS CA C 13 54.26 0.07 . 1 . . . A 61 LYS CA . 19613 1 627 . 1 1 61 61 LYS CB C 13 34.67 0.14 . 1 . . . A 61 LYS CB . 19613 1 628 . 1 1 61 61 LYS CG C 13 24.88 0.00 . 1 . . . A 61 LYS CG . 19613 1 629 . 1 1 61 61 LYS CD C 13 28.51 0.00 . 1 . . . A 61 LYS CD . 19613 1 630 . 1 1 61 61 LYS CE C 13 42.36 0.00 . 1 . . . A 61 LYS CE . 19613 1 631 . 1 1 61 61 LYS N N 15 119.75 0.04 . 1 . . . A 61 LYS N . 19613 1 632 . 1 1 62 62 GLU H H 1 8.13 0.01 . 1 . . . A 62 GLU H . 19613 1 633 . 1 1 62 62 GLU HA H 1 5.14 0.01 . 1 . . . A 62 GLU HA . 19613 1 634 . 1 1 62 62 GLU HB2 H 1 1.56 0.01 . 2 . . . A 62 GLU HB2 . 19613 1 635 . 1 1 62 62 GLU HB3 H 1 1.55 0.00 . 2 . . . A 62 GLU HB3 . 19613 1 636 . 1 1 62 62 GLU HG2 H 1 1.78 0.01 . 2 . . . A 62 GLU HG2 . 19613 1 637 . 1 1 62 62 GLU HG3 H 1 1.77 0.02 . 2 . . . A 62 GLU HG3 . 19613 1 638 . 1 1 62 62 GLU C C 13 175.63 0.02 . 1 . . . A 62 GLU C . 19613 1 639 . 1 1 62 62 GLU CA C 13 53.58 0.05 . 1 . . . A 62 GLU CA . 19613 1 640 . 1 1 62 62 GLU CB C 13 33.91 0.05 . 1 . . . A 62 GLU CB . 19613 1 641 . 1 1 62 62 GLU CG C 13 35.20 0.00 . 1 . . . A 62 GLU CG . 19613 1 642 . 1 1 62 62 GLU N N 15 117.58 0.07 . 1 . . . A 62 GLU N . 19613 1 643 . 1 1 63 63 LYS H H 1 8.88 0.01 . 1 . . . A 63 LYS H . 19613 1 644 . 1 1 63 63 LYS HA H 1 4.55 0.01 . 1 . . . A 63 LYS HA . 19613 1 645 . 1 1 63 63 LYS HB2 H 1 1.59 0.01 . 2 . . . A 63 LYS HB2 . 19613 1 646 . 1 1 63 63 LYS HB3 H 1 1.67 0.01 . 2 . . . A 63 LYS HB3 . 19613 1 647 . 1 1 63 63 LYS HG2 H 1 1.25 0.02 . 2 . . . A 63 LYS HG2 . 19613 1 648 . 1 1 63 63 LYS HG3 H 1 1.24 0.01 . 2 . . . A 63 LYS HG3 . 19613 1 649 . 1 1 63 63 LYS HE2 H 1 2.75 0.01 . 2 . . . A 63 LYS HE2 . 19613 1 650 . 1 1 63 63 LYS HE3 H 1 2.73 0.00 . 2 . . . A 63 LYS HE3 . 19613 1 651 . 1 1 63 63 LYS C C 13 174.51 0.00 . 1 . . . A 63 LYS C . 19613 1 652 . 1 1 63 63 LYS CA C 13 55.01 0.04 . 1 . . . A 63 LYS CA . 19613 1 653 . 1 1 63 63 LYS CB C 13 36.28 0.05 . 1 . . . A 63 LYS CB . 19613 1 654 . 1 1 63 63 LYS CG C 13 24.53 0.00 . 1 . . . A 63 LYS CG . 19613 1 655 . 1 1 63 63 LYS CD C 13 29.14 0.08 . 1 . . . A 63 LYS CD . 19613 1 656 . 1 1 63 63 LYS CE C 13 41.94 0.00 . 1 . . . A 63 LYS CE . 19613 1 657 . 1 1 63 63 LYS N N 15 122.89 0.02 . 1 . . . A 63 LYS N . 19613 1 658 . 1 1 64 64 THR H H 1 8.41 0.01 . 1 . . . A 64 THR H . 19613 1 659 . 1 1 64 64 THR HA H 1 4.76 0.03 . 1 . . . A 64 THR HA . 19613 1 660 . 1 1 64 64 THR HB H 1 3.91 0.00 . 1 . . . A 64 THR HB . 19613 1 661 . 1 1 64 64 THR HG21 H 1 0.98 0.00 . 1 . . . A 64 THR HG21 . 19613 1 662 . 1 1 64 64 THR HG22 H 1 0.98 0.00 . 1 . . . A 64 THR HG22 . 19613 1 663 . 1 1 64 64 THR HG23 H 1 0.98 0.00 . 1 . . . A 64 THR HG23 . 19613 1 664 . 1 1 64 64 THR C C 13 173.87 0.05 . 1 . . . A 64 THR C . 19613 1 665 . 1 1 64 64 THR CA C 13 62.12 0.03 . 1 . . . A 64 THR CA . 19613 1 666 . 1 1 64 64 THR CB C 13 69.74 0.13 . 1 . . . A 64 THR CB . 19613 1 667 . 1 1 64 64 THR CG2 C 13 21.51 0.04 . 1 . . . A 64 THR CG2 . 19613 1 668 . 1 1 64 64 THR N N 15 117.56 0.02 . 1 . . . A 64 THR N . 19613 1 669 . 1 1 65 65 TYR H H 1 8.77 0.01 . 1 . . . A 65 TYR H . 19613 1 670 . 1 1 65 65 TYR HA H 1 4.71 0.00 . 1 . . . A 65 TYR HA . 19613 1 671 . 1 1 65 65 TYR HB2 H 1 2.89 0.01 . 2 . . . A 65 TYR HB2 . 19613 1 672 . 1 1 65 65 TYR HB3 H 1 3.14 0.00 . 2 . . . A 65 TYR HB3 . 19613 1 673 . 1 1 65 65 TYR C C 13 175.78 0.00 . 1 . . . A 65 TYR C . 19613 1 674 . 1 1 65 65 TYR CA C 13 56.53 0.00 . 1 . . . A 65 TYR CA . 19613 1 675 . 1 1 65 65 TYR CB C 13 39.22 0.06 . 1 . . . A 65 TYR CB . 19613 1 676 . 1 1 65 65 TYR N N 15 127.63 0.02 . 1 . . . A 65 TYR N . 19613 1 677 . 1 1 67 67 LYS H H 1 8.11 0.00 . 1 . . . A 67 LYS H . 19613 1 678 . 1 1 67 67 LYS HA H 1 4.20 0.00 . 1 . . . A 67 LYS HA . 19613 1 679 . 1 1 67 67 LYS HB2 H 1 2.00 0.00 . 1 . . . A 67 LYS HB2 . 19613 1 680 . 1 1 67 67 LYS HB3 H 1 2.00 0.00 . 1 . . . A 67 LYS HB3 . 19613 1 681 . 1 1 67 67 LYS HG2 H 1 1.40 0.00 . 1 . . . A 67 LYS HG2 . 19613 1 682 . 1 1 67 67 LYS HG3 H 1 1.40 0.00 . 1 . . . A 67 LYS HG3 . 19613 1 683 . 1 1 67 67 LYS HD2 H 1 1.63 0.00 . 1 . . . A 67 LYS HD2 . 19613 1 684 . 1 1 67 67 LYS HD3 H 1 1.63 0.00 . 1 . . . A 67 LYS HD3 . 19613 1 685 . 1 1 67 67 LYS HE2 H 1 2.96 0.00 . 1 . . . A 67 LYS HE2 . 19613 1 686 . 1 1 67 67 LYS HE3 H 1 2.96 0.00 . 1 . . . A 67 LYS HE3 . 19613 1 687 . 1 1 67 67 LYS C C 13 175.89 0.00 . 1 . . . A 67 LYS C . 19613 1 688 . 1 1 67 67 LYS CA C 13 56.30 0.01 . 1 . . . A 67 LYS CA . 19613 1 689 . 1 1 67 67 LYS CB C 13 32.18 0.00 . 1 . . . A 67 LYS CB . 19613 1 690 . 1 1 67 67 LYS CG C 13 24.72 0.00 . 1 . . . A 67 LYS CG . 19613 1 691 . 1 1 67 67 LYS CD C 13 28.80 0.00 . 1 . . . A 67 LYS CD . 19613 1 692 . 1 1 67 67 LYS CE C 13 42.12 0.00 . 1 . . . A 67 LYS CE . 19613 1 693 . 1 1 67 67 LYS N N 15 120.22 0.00 . 1 . . . A 67 LYS N . 19613 1 694 . 1 1 68 68 GLN H H 1 7.92 0.00 . 1 . . . A 68 GLN H . 19613 1 695 . 1 1 68 68 GLN HA H 1 4.68 0.02 . 1 . . . A 68 GLN HA . 19613 1 696 . 1 1 68 68 GLN HB2 H 1 2.17 0.03 . 2 . . . A 68 GLN HB2 . 19613 1 697 . 1 1 68 68 GLN HB3 H 1 2.11 0.01 . 2 . . . A 68 GLN HB3 . 19613 1 698 . 1 1 68 68 GLN HG2 H 1 2.39 0.02 . 2 . . . A 68 GLN HG2 . 19613 1 699 . 1 1 68 68 GLN HG3 H 1 2.37 0.00 . 2 . . . A 68 GLN HG3 . 19613 1 700 . 1 1 68 68 GLN HE21 H 1 7.00 0.01 . 2 . . . A 68 GLN HE21 . 19613 1 701 . 1 1 68 68 GLN HE22 H 1 7.60 0.00 . 2 . . . A 68 GLN HE22 . 19613 1 702 . 1 1 68 68 GLN C C 13 174.08 0.14 . 1 . . . A 68 GLN C . 19613 1 703 . 1 1 68 68 GLN CA C 13 54.80 0.04 . 1 . . . A 68 GLN CA . 19613 1 704 . 1 1 68 68 GLN CB C 13 31.59 0.04 . 1 . . . A 68 GLN CB . 19613 1 705 . 1 1 68 68 GLN CG C 13 33.60 0.03 . 1 . . . A 68 GLN CG . 19613 1 706 . 1 1 68 68 GLN N N 15 119.09 0.03 . 1 . . . A 68 GLN N . 19613 1 707 . 1 1 68 68 GLN NE2 N 15 111.82 0.16 . 1 . . . A 68 GLN NE2 . 19613 1 708 . 1 1 69 69 LYS H H 1 8.37 0.01 . 1 . . . A 69 LYS H . 19613 1 709 . 1 1 69 69 LYS HA H 1 4.74 0.00 . 1 . . . A 69 LYS HA . 19613 1 710 . 1 1 69 69 LYS HB2 H 1 1.55 0.01 . 2 . . . A 69 LYS HB2 . 19613 1 711 . 1 1 69 69 LYS HB3 H 1 1.54 0.00 . 2 . . . A 69 LYS HB3 . 19613 1 712 . 1 1 69 69 LYS HG2 H 1 1.06 0.00 . 1 . . . A 69 LYS HG2 . 19613 1 713 . 1 1 69 69 LYS HG3 H 1 1.06 0.00 . 1 . . . A 69 LYS HG3 . 19613 1 714 . 1 1 69 69 LYS HD2 H 1 1.28 0.01 . 1 . . . A 69 LYS HD2 . 19613 1 715 . 1 1 69 69 LYS HD3 H 1 1.28 0.01 . 1 . . . A 69 LYS HD3 . 19613 1 716 . 1 1 69 69 LYS HE2 H 1 2.83 0.00 . 1 . . . A 69 LYS HE2 . 19613 1 717 . 1 1 69 69 LYS HE3 H 1 2.83 0.00 . 1 . . . A 69 LYS HE3 . 19613 1 718 . 1 1 69 69 LYS C C 13 175.82 0.03 . 1 . . . A 69 LYS C . 19613 1 719 . 1 1 69 69 LYS CA C 13 56.09 0.04 . 1 . . . A 69 LYS CA . 19613 1 720 . 1 1 69 69 LYS CB C 13 33.91 0.05 . 1 . . . A 69 LYS CB . 19613 1 721 . 1 1 69 69 LYS CG C 13 25.00 0.00 . 1 . . . A 69 LYS CG . 19613 1 722 . 1 1 69 69 LYS CD C 13 29.11 0.00 . 1 . . . A 69 LYS CD . 19613 1 723 . 1 1 69 69 LYS CE C 13 42.11 0.00 . 1 . . . A 69 LYS CE . 19613 1 724 . 1 1 69 69 LYS N N 15 123.40 0.06 . 1 . . . A 69 LYS N . 19613 1 725 . 1 1 70 70 ILE H H 1 8.78 0.01 . 1 . . . A 70 ILE H . 19613 1 726 . 1 1 70 70 ILE HA H 1 4.56 0.01 . 1 . . . A 70 ILE HA . 19613 1 727 . 1 1 70 70 ILE HB H 1 1.64 0.01 . 1 . . . A 70 ILE HB . 19613 1 728 . 1 1 70 70 ILE HG12 H 1 1.28 0.00 . 2 . . . A 70 ILE HG12 . 19613 1 729 . 1 1 70 70 ILE HG13 H 1 1.12 0.01 . 2 . . . A 70 ILE HG13 . 19613 1 730 . 1 1 70 70 ILE HG21 H 1 0.75 0.00 . 1 . . . A 70 ILE HG21 . 19613 1 731 . 1 1 70 70 ILE HG22 H 1 0.75 0.00 . 1 . . . A 70 ILE HG22 . 19613 1 732 . 1 1 70 70 ILE HG23 H 1 0.75 0.00 . 1 . . . A 70 ILE HG23 . 19613 1 733 . 1 1 70 70 ILE HD11 H 1 0.63 0.01 . 1 . . . A 70 ILE HD11 . 19613 1 734 . 1 1 70 70 ILE HD12 H 1 0.63 0.01 . 1 . . . A 70 ILE HD12 . 19613 1 735 . 1 1 70 70 ILE HD13 H 1 0.63 0.01 . 1 . . . A 70 ILE HD13 . 19613 1 736 . 1 1 70 70 ILE C C 13 173.33 0.00 . 1 . . . A 70 ILE C . 19613 1 737 . 1 1 70 70 ILE CA C 13 59.05 0.03 . 1 . . . A 70 ILE CA . 19613 1 738 . 1 1 70 70 ILE CB C 13 40.68 0.04 . 1 . . . A 70 ILE CB . 19613 1 739 . 1 1 70 70 ILE CG1 C 13 26.23 0.02 . 1 . . . A 70 ILE CG1 . 19613 1 740 . 1 1 70 70 ILE CG2 C 13 18.29 0.00 . 1 . . . A 70 ILE CG2 . 19613 1 741 . 1 1 70 70 ILE CD1 C 13 12.44 0.07 . 1 . . . A 70 ILE CD1 . 19613 1 742 . 1 1 70 70 ILE N N 15 120.64 0.11 . 1 . . . A 70 ILE N . 19613 1 743 . 1 1 71 71 TYR H H 1 8.81 0.01 . 1 . . . A 71 TYR H . 19613 1 744 . 1 1 71 71 TYR HA H 1 5.59 0.01 . 1 . . . A 71 TYR HA . 19613 1 745 . 1 1 71 71 TYR HB2 H 1 2.84 0.02 . 2 . . . A 71 TYR HB2 . 19613 1 746 . 1 1 71 71 TYR HB3 H 1 2.80 0.01 . 2 . . . A 71 TYR HB3 . 19613 1 747 . 1 1 71 71 TYR C C 13 175.84 0.02 . 1 . . . A 71 TYR C . 19613 1 748 . 1 1 71 71 TYR CA C 13 56.81 0.05 . 1 . . . A 71 TYR CA . 19613 1 749 . 1 1 71 71 TYR CB C 13 42.52 0.05 . 1 . . . A 71 TYR CB . 19613 1 750 . 1 1 71 71 TYR N N 15 120.20 0.04 . 1 . . . A 71 TYR N . 19613 1 751 . 1 1 72 72 PHE H H 1 8.47 0.01 . 1 . . . A 72 PHE H . 19613 1 752 . 1 1 72 72 PHE HA H 1 5.00 0.01 . 1 . . . A 72 PHE HA . 19613 1 753 . 1 1 72 72 PHE HB2 H 1 2.87 0.01 . 2 . . . A 72 PHE HB2 . 19613 1 754 . 1 1 72 72 PHE HB3 H 1 2.88 0.00 . 2 . . . A 72 PHE HB3 . 19613 1 755 . 1 1 72 72 PHE C C 13 172.95 0.00 . 1 . . . A 72 PHE C . 19613 1 756 . 1 1 72 72 PHE CA C 13 55.71 0.08 . 1 . . . A 72 PHE CA . 19613 1 757 . 1 1 72 72 PHE CB C 13 40.05 0.03 . 1 . . . A 72 PHE CB . 19613 1 758 . 1 1 72 72 PHE N N 15 113.95 0.02 . 1 . . . A 72 PHE N . 19613 1 759 . 1 1 73 73 ALA H H 1 8.85 0.01 . 1 . . . A 73 ALA H . 19613 1 760 . 1 1 73 73 ALA HA H 1 4.54 0.01 . 1 . . . A 73 ALA HA . 19613 1 761 . 1 1 73 73 ALA HB1 H 1 1.30 0.01 . 1 . . . A 73 ALA HB1 . 19613 1 762 . 1 1 73 73 ALA HB2 H 1 1.30 0.01 . 1 . . . A 73 ALA HB2 . 19613 1 763 . 1 1 73 73 ALA HB3 H 1 1.30 0.01 . 1 . . . A 73 ALA HB3 . 19613 1 764 . 1 1 73 73 ALA C C 13 176.09 0.01 . 1 . . . A 73 ALA C . 19613 1 765 . 1 1 73 73 ALA CA C 13 51.47 0.06 . 1 . . . A 73 ALA CA . 19613 1 766 . 1 1 73 73 ALA CB C 13 19.98 0.10 . 1 . . . A 73 ALA CB . 19613 1 767 . 1 1 73 73 ALA N N 15 123.89 0.03 . 1 . . . A 73 ALA N . 19613 1 768 . 1 1 74 74 ASP H H 1 8.48 0.01 . 1 . . . A 74 ASP H . 19613 1 769 . 1 1 74 74 ASP HA H 1 4.64 0.03 . 1 . . . A 74 ASP HA . 19613 1 770 . 1 1 74 74 ASP HB2 H 1 2.72 0.01 . 2 . . . A 74 ASP HB2 . 19613 1 771 . 1 1 74 74 ASP HB3 H 1 2.46 0.01 . 2 . . . A 74 ASP HB3 . 19613 1 772 . 1 1 74 74 ASP C C 13 176.14 0.01 . 1 . . . A 74 ASP C . 19613 1 773 . 1 1 74 74 ASP CA C 13 53.79 0.05 . 1 . . . A 74 ASP CA . 19613 1 774 . 1 1 74 74 ASP CB C 13 41.98 0.02 . 1 . . . A 74 ASP CB . 19613 1 775 . 1 1 74 74 ASP N N 15 120.79 0.01 . 1 . . . A 74 ASP N . 19613 1 776 . 1 1 75 75 GLN H H 1 8.59 0.00 . 1 . . . . 75 GLN H . 19613 1 777 . 1 1 75 75 GLN HA H 1 4.25 0.01 . 1 . . . . 75 GLN HA . 19613 1 778 . 1 1 75 75 GLN HB2 H 1 2.07 0.00 . 2 . . . . 75 GLN HB2 . 19613 1 779 . 1 1 75 75 GLN HB3 H 1 1.96 0.00 . 2 . . . . 75 GLN HB3 . 19613 1 780 . 1 1 75 75 GLN HG2 H 1 2.33 0.00 . 1 . . . . 75 GLN HG2 . 19613 1 781 . 1 1 75 75 GLN HG3 H 1 2.33 0.01 . 1 . . . . 75 GLN HG3 . 19613 1 782 . 1 1 75 75 GLN HE21 H 1 7.50 0.04 . 2 . . . . 75 GLN HE21 . 19613 1 783 . 1 1 75 75 GLN HE22 H 1 6.79 0.00 . 2 . . . . 75 GLN HE22 . 19613 1 784 . 1 1 75 75 GLN C C 13 176.02 0.01 . 1 . . . . 75 GLN C . 19613 1 785 . 1 1 75 75 GLN CA C 13 56.24 0.05 . 1 . . . . 75 GLN CA . 19613 1 786 . 1 1 75 75 GLN CB C 13 29.23 0.08 . 1 . . . . 75 GLN CB . 19613 1 787 . 1 1 75 75 GLN CG C 13 33.45 0.12 . 1 . . . . 75 GLN CG . 19613 1 788 . 1 1 75 75 GLN N N 15 122.15 0.01 . 1 . . . . 75 GLN N . 19613 1 789 . 1 1 75 75 GLN NE2 N 15 111.87 0.08 . 1 . . . . 75 GLN NE2 . 19613 1 790 . 1 1 76 76 ASN H H 1 8.56 0.01 . 1 . . . . 76 ASN H . 19613 1 791 . 1 1 76 76 ASN HA H 1 4.61 0.02 . 1 . . . . 76 ASN HA . 19613 1 792 . 1 1 76 76 ASN HB2 H 1 2.72 0.05 . 1 . . . . 76 ASN HB2 . 19613 1 793 . 1 1 76 76 ASN HB3 H 1 2.72 0.05 . 1 . . . . 76 ASN HB3 . 19613 1 794 . 1 1 76 76 ASN HD21 H 1 7.67 0.00 . 2 . . . . 76 ASN HD21 . 19613 1 795 . 1 1 76 76 ASN HD22 H 1 6.93 0.00 . 2 . . . . 76 ASN HD22 . 19613 1 796 . 1 1 76 76 ASN C C 13 175.28 0.00 . 1 . . . . 76 ASN C . 19613 1 797 . 1 1 76 76 ASN CA C 13 53.65 0.05 . 1 . . . . 76 ASN CA . 19613 1 798 . 1 1 76 76 ASN CB C 13 38.78 0.05 . 1 . . . . 76 ASN CB . 19613 1 799 . 1 1 76 76 ASN N N 15 119.27 0.03 . 1 . . . . 76 ASN N . 19613 1 800 . 1 1 76 76 ASN ND2 N 15 112.78 0.34 . 1 . . . . 76 ASN ND2 . 19613 1 801 . 1 1 77 77 GLN H H 1 8.23 0.11 . 1 . . . . 77 GLN H . 19613 1 802 . 1 1 77 77 GLN HA H 1 3.78 0.60 . 1 . . . . 77 GLN HA . 19613 1 803 . 1 1 77 77 GLN HB2 H 1 2.05 0.07 . 2 . . . . 77 GLN HB2 . 19613 1 804 . 1 1 77 77 GLN HB3 H 1 1.83 0.02 . 2 . . . . 77 GLN HB3 . 19613 1 805 . 1 1 77 77 GLN C C 13 175.64 0.01 . 1 . . . . 77 GLN C . 19613 1 806 . 1 1 77 77 GLN CA C 13 56.13 0.03 . 1 . . . . 77 GLN CA . 19613 1 807 . 1 1 77 77 GLN CB C 13 29.18 0.06 . 1 . . . . 77 GLN CB . 19613 1 808 . 1 1 77 77 GLN CG C 13 33.42 0.00 . 1 . . . . 77 GLN CG . 19613 1 809 . 1 1 77 77 GLN N N 15 119.99 0.02 . 1 . . . . 77 GLN N . 19613 1 810 . 1 1 78 78 PHE H H 1 8.08 0.00 . 1 . . . . 78 PHE H . 19613 1 811 . 1 1 78 78 PHE HA H 1 4.57 0.01 . 1 . . . . 78 PHE HA . 19613 1 812 . 1 1 78 78 PHE HB2 H 1 3.15 0.01 . 2 . . . . 78 PHE HB2 . 19613 1 813 . 1 1 78 78 PHE HB3 H 1 2.90 0.01 . 2 . . . . 78 PHE HB3 . 19613 1 814 . 1 1 78 78 PHE C C 13 175.42 0.01 . 1 . . . . 78 PHE C . 19613 1 815 . 1 1 78 78 PHE CA C 13 57.53 0.08 . 1 . . . . 78 PHE CA . 19613 1 816 . 1 1 78 78 PHE CB C 13 39.24 0.15 . 1 . . . . 78 PHE CB . 19613 1 817 . 1 1 78 78 PHE N N 15 120.01 0.01 . 1 . . . . 78 PHE N . 19613 1 818 . 1 1 79 79 ASP H H 1 8.27 0.01 . 1 . . . . 79 ASP H . 19613 1 819 . 1 1 79 79 ASP HA H 1 4.62 0.01 . 1 . . . . 79 ASP HA . 19613 1 820 . 1 1 79 79 ASP HB2 H 1 2.62 0.00 . 1 . . . . 79 ASP HB2 . 19613 1 821 . 1 1 79 79 ASP HB3 H 1 2.62 0.00 . 1 . . . . 79 ASP HB3 . 19613 1 822 . 1 1 79 79 ASP C C 13 176.20 0.01 . 1 . . . . 79 ASP C . 19613 1 823 . 1 1 79 79 ASP CA C 13 54.45 0.04 . 1 . . . . 79 ASP CA . 19613 1 824 . 1 1 79 79 ASP CB C 13 41.20 0.01 . 1 . . . . 79 ASP CB . 19613 1 825 . 1 1 79 79 ASP N N 15 121.20 0.01 . 1 . . . . 79 ASP N . 19613 1 826 . 1 1 80 80 THR H H 1 8.05 0.01 . 1 . . . . 80 THR H . 19613 1 827 . 1 1 80 80 THR HA H 1 4.32 0.01 . 1 . . . . 80 THR HA . 19613 1 828 . 1 1 80 80 THR HB H 1 4.18 0.01 . 1 . . . . 80 THR HB . 19613 1 829 . 1 1 80 80 THR HG21 H 1 1.16 0.00 . 1 . . . . 80 THR HG2 . 19613 1 830 . 1 1 80 80 THR HG22 H 1 1.16 0.00 . 1 . . . . 80 THR HG2 . 19613 1 831 . 1 1 80 80 THR HG23 H 1 1.16 0.00 . 1 . . . . 80 THR HG2 . 19613 1 832 . 1 1 80 80 THR C C 13 174.51 0.00 . 1 . . . . 80 THR C . 19613 1 833 . 1 1 80 80 THR CA C 13 61.91 0.11 . 1 . . . . 80 THR CA . 19613 1 834 . 1 1 80 80 THR CB C 13 69.93 0.15 . 1 . . . . 80 THR CB . 19613 1 835 . 1 1 80 80 THR CG2 C 13 21.48 0.00 . 1 . . . . 80 THR CG2 . 19613 1 836 . 1 1 80 80 THR N N 15 114.33 0.01 . 1 . . . . 80 THR N . 19613 1 837 . 1 1 81 81 VAL H H 1 8.17 0.00 . 1 . . . . 81 VAL H . 19613 1 838 . 1 1 81 81 VAL HA H 1 4.15 0.01 . 1 . . . . 81 VAL HA . 19613 1 839 . 1 1 81 81 VAL HB H 1 2.05 0.00 . 1 . . . . 81 VAL HB . 19613 1 840 . 1 1 81 81 VAL HG11 H 1 0.89 0.00 . 2 . . . . 81 VAL HG1 . 19613 1 841 . 1 1 81 81 VAL HG12 H 1 0.89 0.00 . 2 . . . . 81 VAL HG1 . 19613 1 842 . 1 1 81 81 VAL HG13 H 1 0.89 0.00 . 2 . . . . 81 VAL HG1 . 19613 1 843 . 1 1 81 81 VAL HG21 H 1 0.88 0.00 . 2 . . . . 81 VAL HG2 . 19613 1 844 . 1 1 81 81 VAL HG22 H 1 0.88 0.00 . 2 . . . . 81 VAL HG2 . 19613 1 845 . 1 1 81 81 VAL HG23 H 1 0.88 0.00 . 2 . . . . 81 VAL HG2 . 19613 1 846 . 1 1 81 81 VAL C C 13 176.09 0.00 . 1 . . . . 81 VAL C . 19613 1 847 . 1 1 81 81 VAL CA C 13 62.20 0.17 . 1 . . . . 81 VAL CA . 19613 1 848 . 1 1 81 81 VAL CB C 13 32.60 0.03 . 1 . . . . 81 VAL CB . 19613 1 849 . 1 1 81 81 VAL CG1 C 13 20.80 0.00 . 2 . . . . 81 VAL CG1 . 19613 1 850 . 1 1 81 81 VAL CG2 C 13 20.24 0.00 . 2 . . . . 81 VAL CG2 . 19613 1 851 . 1 1 81 81 VAL N N 15 122.63 0.02 . 1 . . . . 81 VAL N . 19613 1 852 . 1 1 82 82 SER H H 1 8.40 0.01 . 1 . . . . 82 SER H . 19613 1 853 . 1 1 82 82 SER HA H 1 4.45 0.01 . 1 . . . . 82 SER HA . 19613 1 854 . 1 1 82 82 SER HB2 H 1 3.82 0.01 . 2 . . . . 82 SER HB2 . 19613 1 855 . 1 1 82 82 SER HB3 H 1 3.83 0.00 . 2 . . . . 82 SER HB3 . 19613 1 856 . 1 1 82 82 SER C C 13 174.13 0.01 . 1 . . . . 82 SER C . 19613 1 857 . 1 1 82 82 SER CA C 13 58.16 0.03 . 1 . . . . 82 SER CA . 19613 1 858 . 1 1 82 82 SER CB C 13 63.80 0.24 . 1 . . . . 82 SER CB . 19613 1 859 . 1 1 82 82 SER N N 15 119.64 0.02 . 1 . . . . 82 SER N . 19613 1 860 . 1 1 83 83 ASP H H 1 8.36 0.00 . 1 . . . . 83 ASP H . 19613 1 861 . 1 1 83 83 ASP HA H 1 4.58 0.01 . 1 . . . . 83 ASP HA . 19613 1 862 . 1 1 83 83 ASP HB2 H 1 2.81 0.01 . 2 . . . . 83 ASP HB2 . 19613 1 863 . 1 1 83 83 ASP HB3 H 1 3.21 0.01 . 2 . . . . 83 ASP HB3 . 19613 1 864 . 1 1 83 83 ASP C C 13 174.85 0.01 . 1 . . . . 83 ASP C . 19613 1 865 . 1 1 83 83 ASP CA C 13 54.34 0.05 . 1 . . . . 83 ASP CA . 19613 1 866 . 1 1 83 83 ASP CB C 13 41.05 0.04 . 1 . . . . 83 ASP CB . 19613 1 867 . 1 1 83 83 ASP CG C 13 177.04 0.01 . 1 . . . . 83 ASP CG . 19613 1 868 . 1 1 83 83 ASP N N 15 123.22 0.02 . 1 . . . . 83 ASP N . 19613 1 869 . 1 1 84 84 ALA H H 1 7.82 0.01 . 1 . . . . 84 ALA H . 19613 1 870 . 1 1 84 84 ALA HA H 1 4.06 0.01 . 1 . . . . 84 ALA HA . 19613 1 871 . 1 1 84 84 ALA HB1 H 1 1.27 0.01 . 1 . . . . 84 ALA HB . 19613 1 872 . 1 1 84 84 ALA HB2 H 1 1.27 0.01 . 1 . . . . 84 ALA HB . 19613 1 873 . 1 1 84 84 ALA HB3 H 1 1.27 0.01 . 1 . . . . 84 ALA HB . 19613 1 874 . 1 1 84 84 ALA C C 13 182.52 0.00 . 1 . . . . 84 ALA C . 19613 1 875 . 1 1 84 84 ALA CA C 13 53.85 0.06 . 1 . . . . 84 ALA CA . 19613 1 876 . 1 1 84 84 ALA CB C 13 20.07 0.07 . 1 . . . . 84 ALA CB . 19613 1 877 . 1 1 84 84 ALA N N 15 129.06 0.03 . 1 . . . . 84 ALA N . 19613 1 stop_ save_