data_50961 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50961 _Entry.Title ; 1H, 15N and 13C chemical shift assignments of the PYK2(728-839) polypeptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-05 _Entry.Accession_date 2021-06-05 _Entry.Last_release_date 2021-06-05 _Entry.Original_release_date 2021-06-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 'Afaque Ahmad' Momin . I. . 0000-0002-5058-9445 50961 2 Tiago Mendes . . . . 50961 3 Philippe Barthe . . . 0000-0003-4282-6604 50961 4 Camille Faure . . . . 50961 5 SeungBeom Hong . . . . 50961 6 Mariusz Jaremko . . . . 50961 7 Jean-Antoine Girault . . . . 50961 8 Lukasz Jaremko . . . 0000-0001-7684-9359 50961 9 Stefan Arold . T. . 0000-0001-5278-0668 50961 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biology and Engineering group; KAUST' . 50961 2 . 'Structure, dynamique et fonction des biomolecules par RMN; CBS' . 50961 3 . 'BioNMR, KAUST' . 50961 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50961 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 50961 '15N chemical shifts' 94 50961 '1H chemical shifts' 708 50961 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 . . 2022-10-12 . original BMRB . 50961 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50961 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35945264 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; PYK2 senses calcium through a disordered dimerization and calmodulin-binding element ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 800 _Citation.Page_last 800 _Citation.Year 2022 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Afaque Momin A. A. . . 50961 1 2 Tiago Mendes T. . . . 50961 1 3 Philippe Barthe P. . . . 50961 1 4 Camille Faure C. . . . 50961 1 5 SeungBeom Hong S. . . . 50961 1 6 Piao Yu P. . . . 50961 1 7 Gress Kadare G. . . . 50961 1 8 Mariusz Jaremko M. . . . 50961 1 9 Jean-Antoine Girault J. A. . . 50961 1 10 Lukasz Jaremko L. . . . 50961 1 11 Stefan Arold S. T. . . 50961 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'dimerization, helix, calmodulin-binding, PYK2, kinase, disorder' 50961 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50961 _Assembly.ID 1 _Assembly.Name 'PYK2(728-839) polypeptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'PYK2(728-839) polypeptide' 1 $entity_1 . . yes native no no . . . 50961 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50961 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSSGLVPRGSTNLL APKLQFQVPEGLCASSPTLT SPMEYPSPVNSLHTPPLHRH NVFKRHSMREEDFIQPSSRE EAQQLWEAEKVKMRQILDKQ QKQMVEDYQWLRQEEKSLDP MVYMNDKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-128 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 UniProt Q14289 . PYK2 . . . . . . . . . . . . . . 50961 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'kinase, signaling, protein binding' 50961 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 . 50961 1 2 . HIS . 50961 1 3 . HIS . 50961 1 4 . HIS . 50961 1 5 . HIS . 50961 1 6 . HIS . 50961 1 7 . HIS . 50961 1 8 . SER . 50961 1 9 . SER . 50961 1 10 . GLY . 50961 1 11 . LEU . 50961 1 12 . VAL . 50961 1 13 . PRO . 50961 1 14 . ARG . 50961 1 15 . GLY . 50961 1 16 . SER . 50961 1 17 . THR . 50961 1 18 . ASN . 50961 1 19 . LEU . 50961 1 20 . LEU . 50961 1 21 . ALA . 50961 1 22 . PRO . 50961 1 23 . LYS . 50961 1 24 . LEU . 50961 1 25 . GLN . 50961 1 26 . PHE . 50961 1 27 . GLN . 50961 1 28 . VAL . 50961 1 29 . PRO . 50961 1 30 . GLU . 50961 1 31 . GLY . 50961 1 32 . LEU . 50961 1 33 . CYS . 50961 1 34 . ALA . 50961 1 35 . SER . 50961 1 36 . SER . 50961 1 37 . PRO . 50961 1 38 . THR . 50961 1 39 . LEU . 50961 1 40 . THR . 50961 1 41 . SER . 50961 1 42 . PRO . 50961 1 43 . MET . 50961 1 44 . GLU . 50961 1 45 . TYR . 50961 1 46 . PRO . 50961 1 47 . SER . 50961 1 48 . PRO . 50961 1 49 . VAL . 50961 1 50 . ASN . 50961 1 51 . SER . 50961 1 52 . LEU . 50961 1 53 . HIS . 50961 1 54 . THR . 50961 1 55 . PRO . 50961 1 56 . PRO . 50961 1 57 . LEU . 50961 1 58 . HIS . 50961 1 59 . ARG . 50961 1 60 . HIS . 50961 1 61 . ASN . 50961 1 62 . VAL . 50961 1 63 . PHE . 50961 1 64 . LYS . 50961 1 65 . ARG . 50961 1 66 . HIS . 50961 1 67 . SER . 50961 1 68 . MET . 50961 1 69 . ARG . 50961 1 70 . GLU . 50961 1 71 . GLU . 50961 1 72 . ASP . 50961 1 73 . PHE . 50961 1 74 . ILE . 50961 1 75 . GLN . 50961 1 76 . PRO . 50961 1 77 . SER . 50961 1 78 . SER . 50961 1 79 . ARG . 50961 1 80 . GLU . 50961 1 81 . GLU . 50961 1 82 . ALA . 50961 1 83 . GLN . 50961 1 84 . GLN . 50961 1 85 . LEU . 50961 1 86 . TRP . 50961 1 87 . GLU . 50961 1 88 . ALA . 50961 1 89 . GLU . 50961 1 90 . LYS . 50961 1 91 . VAL . 50961 1 92 . LYS . 50961 1 93 . MET . 50961 1 94 . ARG . 50961 1 95 . GLN . 50961 1 96 . ILE . 50961 1 97 . LEU . 50961 1 98 . ASP . 50961 1 99 . LYS . 50961 1 100 . GLN . 50961 1 101 . GLN . 50961 1 102 . LYS . 50961 1 103 . GLN . 50961 1 104 . MET . 50961 1 105 . VAL . 50961 1 106 . GLU . 50961 1 107 . ASP . 50961 1 108 . TYR . 50961 1 109 . GLN . 50961 1 110 . TRP . 50961 1 111 . LEU . 50961 1 112 . ARG . 50961 1 113 . GLN . 50961 1 114 . GLU . 50961 1 115 . GLU . 50961 1 116 . LYS . 50961 1 117 . SER . 50961 1 118 . LEU . 50961 1 119 . ASP . 50961 1 120 . PRO . 50961 1 121 . MET . 50961 1 122 . VAL . 50961 1 123 . TYR . 50961 1 124 . MET . 50961 1 125 . ASN . 50961 1 126 . ASP . 50961 1 127 . LYS . 50961 1 128 . SER . 50961 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 50961 1 . HIS 2 2 50961 1 . HIS 3 3 50961 1 . HIS 4 4 50961 1 . HIS 5 5 50961 1 . HIS 6 6 50961 1 . HIS 7 7 50961 1 . SER 8 8 50961 1 . SER 9 9 50961 1 . GLY 10 10 50961 1 . LEU 11 11 50961 1 . VAL 12 12 50961 1 . PRO 13 13 50961 1 . ARG 14 14 50961 1 . GLY 15 15 50961 1 . SER 16 16 50961 1 . THR 17 17 50961 1 . ASN 18 18 50961 1 . LEU 19 19 50961 1 . LEU 20 20 50961 1 . ALA 21 21 50961 1 . PRO 22 22 50961 1 . LYS 23 23 50961 1 . LEU 24 24 50961 1 . GLN 25 25 50961 1 . PHE 26 26 50961 1 . GLN 27 27 50961 1 . VAL 28 28 50961 1 . PRO 29 29 50961 1 . GLU 30 30 50961 1 . GLY 31 31 50961 1 . LEU 32 32 50961 1 . CYS 33 33 50961 1 . ALA 34 34 50961 1 . SER 35 35 50961 1 . SER 36 36 50961 1 . PRO 37 37 50961 1 . THR 38 38 50961 1 . LEU 39 39 50961 1 . THR 40 40 50961 1 . SER 41 41 50961 1 . PRO 42 42 50961 1 . MET 43 43 50961 1 . GLU 44 44 50961 1 . TYR 45 45 50961 1 . PRO 46 46 50961 1 . SER 47 47 50961 1 . PRO 48 48 50961 1 . VAL 49 49 50961 1 . ASN 50 50 50961 1 . SER 51 51 50961 1 . LEU 52 52 50961 1 . HIS 53 53 50961 1 . THR 54 54 50961 1 . PRO 55 55 50961 1 . PRO 56 56 50961 1 . LEU 57 57 50961 1 . HIS 58 58 50961 1 . ARG 59 59 50961 1 . HIS 60 60 50961 1 . ASN 61 61 50961 1 . VAL 62 62 50961 1 . PHE 63 63 50961 1 . LYS 64 64 50961 1 . ARG 65 65 50961 1 . HIS 66 66 50961 1 . SER 67 67 50961 1 . MET 68 68 50961 1 . ARG 69 69 50961 1 . GLU 70 70 50961 1 . GLU 71 71 50961 1 . ASP 72 72 50961 1 . PHE 73 73 50961 1 . ILE 74 74 50961 1 . GLN 75 75 50961 1 . PRO 76 76 50961 1 . SER 77 77 50961 1 . SER 78 78 50961 1 . ARG 79 79 50961 1 . GLU 80 80 50961 1 . GLU 81 81 50961 1 . ALA 82 82 50961 1 . GLN 83 83 50961 1 . GLN 84 84 50961 1 . LEU 85 85 50961 1 . TRP 86 86 50961 1 . GLU 87 87 50961 1 . ALA 88 88 50961 1 . GLU 89 89 50961 1 . LYS 90 90 50961 1 . VAL 91 91 50961 1 . LYS 92 92 50961 1 . MET 93 93 50961 1 . ARG 94 94 50961 1 . GLN 95 95 50961 1 . ILE 96 96 50961 1 . LEU 97 97 50961 1 . ASP 98 98 50961 1 . LYS 99 99 50961 1 . GLN 100 100 50961 1 . GLN 101 101 50961 1 . LYS 102 102 50961 1 . GLN 103 103 50961 1 . MET 104 104 50961 1 . VAL 105 105 50961 1 . GLU 106 106 50961 1 . ASP 107 107 50961 1 . TYR 108 108 50961 1 . GLN 109 109 50961 1 . TRP 110 110 50961 1 . LEU 111 111 50961 1 . ARG 112 112 50961 1 . GLN 113 113 50961 1 . GLU 114 114 50961 1 . GLU 115 115 50961 1 . LYS 116 116 50961 1 . SER 117 117 50961 1 . LEU 118 118 50961 1 . ASP 119 119 50961 1 . PRO 120 120 50961 1 . MET 121 121 50961 1 . VAL 122 122 50961 1 . TYR 123 123 50961 1 . MET 124 124 50961 1 . ASN 125 125 50961 1 . ASP 126 126 50961 1 . LYS 127 127 50961 1 . SER 128 128 50961 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50961 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . PTK2B . 50961 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50961 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DE3 . . plasmid . . pET32a . . . 50961 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50961 _Sample.ID 1 _Sample.Name sample_15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 PYK2KFL '[U-100% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 50961 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50961 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50961 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50961 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50961 _Sample.ID 2 _Sample.Name sample_13C _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 PYK2KFL '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.25 . . mM . . . . 50961 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 50961 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50961 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 50961 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50961 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_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' 0.15 . M 50961 1 pH 6.5 . pH 50961 1 pressure 1 . atm 50961 1 temperature 298 . K 50961 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50961 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50961 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50961 _Software.ID 2 _Software.Type . _Software.Name CINDY _Software.Version 2.1 _Software.DOI . _Software.Details 'from Andre Padilla at CBS, Montpellier' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50961 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50961 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '950 MHz Bruker Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50961 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 2 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 3 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 4 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 5 '3D CBCACONH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50961 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50961 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50961 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50961 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50961 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50961 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shift list of the PYK2(728-839) polypeptide' _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 $chem_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' . . . 50961 1 2 '3D HNCA' . . . 50961 1 3 '3D HNCACB' . . . 50961 1 4 '3D HNCO' . . . 50961 1 5 '3D CBCACONH' . . . 50961 1 6 '3D HN(CO)CA' . . . 50961 1 7 '3D HN(CO)CA' . . . 50961 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50961 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 17 17 THR H H 1 8.227 0.000 . . . . . . . 17 THR H . 50961 1 2 . 1 . 1 17 17 THR HA H 1 4.304 0.000 . . . . . . . 17 THR HA . 50961 1 3 . 1 . 1 17 17 THR HB H 1 4.164 0.000 . . . . . . . 17 THR HB . 50961 1 4 . 1 . 1 17 17 THR HG21 H 1 1.152 0.000 . . . . . . . 17 THR QG2 . 50961 1 5 . 1 . 1 17 17 THR HG22 H 1 1.152 0.000 . . . . . . . 17 THR QG2 . 50961 1 6 . 1 . 1 17 17 THR HG23 H 1 1.152 0.000 . . . . . . . 17 THR QG2 . 50961 1 7 . 1 . 1 17 17 THR C C 13 174.190 0.000 . . . . . . . 17 THR C . 50961 1 8 . 1 . 1 17 17 THR CA C 13 62.050 0.000 . . . . . . . 17 THR CA . 50961 1 9 . 1 . 1 17 17 THR CB C 13 69.640 0.000 . . . . . . . 17 THR CB . 50961 1 10 . 1 . 1 17 17 THR N N 15 116.130 0.000 . . . . . . . 17 THR N . 50961 1 11 . 1 . 1 18 18 ASN H H 1 8.418 0.000 . . . . . . . 18 ASN H . 50961 1 12 . 1 . 1 18 18 ASN HA H 1 4.660 0.000 . . . . . . . 18 ASN HA . 50961 1 13 . 1 . 1 18 18 ASN HB2 H 1 2.693 0.000 . . . . . . . 18 ASN HB2 . 50961 1 14 . 1 . 1 18 18 ASN HB3 H 1 2.821 0.000 . . . . . . . 18 ASN HB3 . 50961 1 15 . 1 . 1 18 18 ASN C C 13 175.050 0.000 . . . . . . . 18 ASN C . 50961 1 16 . 1 . 1 18 18 ASN CA C 13 53.350 0.000 . . . . . . . 18 ASN CA . 50961 1 17 . 1 . 1 18 18 ASN CB C 13 38.660 0.000 . . . . . . . 18 ASN CB . 50961 1 18 . 1 . 1 18 18 ASN N N 15 121.540 0.000 . . . . . . . 18 ASN N . 50961 1 19 . 1 . 1 19 19 LEU H H 1 8.214 0.000 . . . . . . . 19 LEU H . 50961 1 20 . 1 . 1 19 19 LEU HA H 1 4.267 0.000 . . . . . . . 19 LEU HA . 50961 1 21 . 1 . 1 19 19 LEU HB2 H 1 1.545 0.000 . . . . . . . 19 LEU HB2 . 50961 1 22 . 1 . 1 19 19 LEU HB3 H 1 1.595 0.000 . . . . . . . 19 LEU HB3 . 50961 1 23 . 1 . 1 19 19 LEU HG H 1 1.507 0.000 . . . . . . . 19 LEU HG . 50961 1 24 . 1 . 1 19 19 LEU HD11 H 1 0.887 0.000 . . . . . . . 19 LEU QD1 . 50961 1 25 . 1 . 1 19 19 LEU HD12 H 1 0.887 0.000 . . . . . . . 19 LEU QD1 . 50961 1 26 . 1 . 1 19 19 LEU HD13 H 1 0.887 0.000 . . . . . . . 19 LEU QD1 . 50961 1 27 . 1 . 1 19 19 LEU HD21 H 1 0.821 0.000 . . . . . . . 19 LEU QD2 . 50961 1 28 . 1 . 1 19 19 LEU HD22 H 1 0.821 0.000 . . . . . . . 19 LEU QD2 . 50961 1 29 . 1 . 1 19 19 LEU HD23 H 1 0.821 0.000 . . . . . . . 19 LEU QD2 . 50961 1 30 . 1 . 1 19 19 LEU C C 13 177.140 0.000 . . . . . . . 19 LEU C . 50961 1 31 . 1 . 1 19 19 LEU CA C 13 55.470 0.000 . . . . . . . 19 LEU CA . 50961 1 32 . 1 . 1 19 19 LEU CB C 13 42.180 0.000 . . . . . . . 19 LEU CB . 50961 1 33 . 1 . 1 19 19 LEU N N 15 123.190 0.000 . . . . . . . 19 LEU N . 50961 1 34 . 1 . 1 20 20 LEU H H 1 8.089 0.000 . . . . . . . 20 LEU H . 50961 1 35 . 1 . 1 20 20 LEU HA H 1 4.309 0.000 . . . . . . . 20 LEU HA . 50961 1 36 . 1 . 1 20 20 LEU HB2 H 1 1.541 0.000 . . . . . . . 20 LEU HB2 . 50961 1 37 . 1 . 1 20 20 LEU HB3 H 1 1.596 0.000 . . . . . . . 20 LEU HB3 . 50961 1 38 . 1 . 1 20 20 LEU HG H 1 1.511 0.000 . . . . . . . 20 LEU HG . 50961 1 39 . 1 . 1 20 20 LEU HD11 H 1 0.857 0.000 . . . . . . . 20 LEU QD1 . 50961 1 40 . 1 . 1 20 20 LEU HD12 H 1 0.857 0.000 . . . . . . . 20 LEU QD1 . 50961 1 41 . 1 . 1 20 20 LEU HD13 H 1 0.857 0.000 . . . . . . . 20 LEU QD1 . 50961 1 42 . 1 . 1 20 20 LEU HD21 H 1 0.801 0.000 . . . . . . . 20 LEU QD2 . 50961 1 43 . 1 . 1 20 20 LEU HD22 H 1 0.801 0.000 . . . . . . . 20 LEU QD2 . 50961 1 44 . 1 . 1 20 20 LEU HD23 H 1 0.801 0.000 . . . . . . . 20 LEU QD2 . 50961 1 45 . 1 . 1 20 20 LEU C C 13 176.610 0.000 . . . . . . . 20 LEU C . 50961 1 46 . 1 . 1 20 20 LEU CA C 13 54.700 0.000 . . . . . . . 20 LEU CA . 50961 1 47 . 1 . 1 20 20 LEU CB C 13 42.270 0.000 . . . . . . . 20 LEU CB . 50961 1 48 . 1 . 1 20 20 LEU N N 15 122.380 0.000 . . . . . . . 20 LEU N . 50961 1 49 . 1 . 1 21 21 ALA H H 1 8.030 0.000 . . . . . . . 21 ALA H . 50961 1 50 . 1 . 1 21 21 ALA HA H 1 4.505 0.000 . . . . . . . 21 ALA HA . 50961 1 51 . 1 . 1 21 21 ALA HB1 H 1 1.307 0.000 . . . . . . . 21 ALA HB# . 50961 1 52 . 1 . 1 21 21 ALA HB2 H 1 1.307 0.000 . . . . . . . 21 ALA HB# . 50961 1 53 . 1 . 1 21 21 ALA HB3 H 1 1.307 0.000 . . . . . . . 21 ALA HB# . 50961 1 54 . 1 . 1 21 21 ALA C C 13 175.270 0.000 . . . . . . . 21 ALA C . 50961 1 55 . 1 . 1 21 21 ALA CA C 13 50.630 0.000 . . . . . . . 21 ALA CA . 50961 1 56 . 1 . 1 21 21 ALA CB C 13 18.210 0.000 . . . . . . . 21 ALA CB . 50961 1 57 . 1 . 1 21 21 ALA N N 15 126.310 0.000 . . . . . . . 21 ALA N . 50961 1 58 . 1 . 1 22 22 PRO HA H 1 4.349 0.000 . . . . . . . 22 PRO HA . 50961 1 59 . 1 . 1 22 22 PRO HB2 H 1 1.854 0.000 . . . . . . . 22 PRO HB2 . 50961 1 60 . 1 . 1 22 22 PRO HB3 H 1 2.251 0.000 . . . . . . . 22 PRO HB3 . 50961 1 61 . 1 . 1 22 22 PRO HG2 H 1 1.944 0.000 . . . . . . . 22 PRO HG2 . 50961 1 62 . 1 . 1 22 22 PRO HG3 H 1 1.974 0.000 . . . . . . . 22 PRO HG3 . 50961 1 63 . 1 . 1 22 22 PRO HD2 H 1 3.594 0.000 . . . . . . . 22 PRO HD2 . 50961 1 64 . 1 . 1 22 22 PRO HD3 H 1 3.730 0.000 . . . . . . . 22 PRO HD3 . 50961 1 65 . 1 . 1 22 22 PRO C C 13 176.930 0.000 . . . . . . . 22 PRO C . 50961 1 66 . 1 . 1 22 22 PRO CA C 13 63.230 0.000 . . . . . . . 22 PRO CA . 50961 1 67 . 1 . 1 22 22 PRO CB C 13 31.970 0.000 . . . . . . . 22 PRO CB . 50961 1 68 . 1 . 1 23 23 LYS H H 1 8.354 0.000 . . . . . . . 23 LYS H . 50961 1 69 . 1 . 1 23 23 LYS HA H 1 4.238 0.000 . . . . . . . 23 LYS HA . 50961 1 70 . 1 . 1 23 23 LYS HB2 H 1 1.719 0.000 . . . . . . . 23 LYS HB2 . 50961 1 71 . 1 . 1 23 23 LYS HB3 H 1 1.797 0.000 . . . . . . . 23 LYS HB3 . 50961 1 72 . 1 . 1 23 23 LYS HG2 H 1 1.365 0.000 . . . . . . . 23 LYS HG2 . 50961 1 73 . 1 . 1 23 23 LYS HG3 H 1 1.418 0.000 . . . . . . . 23 LYS HG3 . 50961 1 74 . 1 . 1 23 23 LYS HD3 H 1 1.556 0.000 . . . . . . . 23 LYS HD3 . 50961 1 75 . 1 . 1 23 23 LYS C C 13 176.600 0.000 . . . . . . . 23 LYS C . 50961 1 76 . 1 . 1 23 23 LYS CA C 13 56.310 0.000 . . . . . . . 23 LYS CA . 50961 1 77 . 1 . 1 23 23 LYS CB C 13 32.910 0.000 . . . . . . . 23 LYS CB . 50961 1 78 . 1 . 1 23 23 LYS N N 15 121.630 0.000 . . . . . . . 23 LYS N . 50961 1 79 . 1 . 1 24 24 LEU H H 1 8.186 0.000 . . . . . . . 24 LEU H . 50961 1 80 . 1 . 1 24 24 LEU HA H 1 4.268 0.000 . . . . . . . 24 LEU HA . 50961 1 81 . 1 . 1 24 24 LEU HB2 H 1 1.439 0.000 . . . . . . . 24 LEU HB2 . 50961 1 82 . 1 . 1 24 24 LEU HB3 H 1 1.568 0.000 . . . . . . . 24 LEU HB3 . 50961 1 83 . 1 . 1 24 24 LEU HG H 1 1.339 0.000 . . . . . . . 24 LEU HG . 50961 1 84 . 1 . 1 24 24 LEU HD11 H 1 0.873 0.000 . . . . . . . 24 LEU QD1 . 50961 1 85 . 1 . 1 24 24 LEU HD12 H 1 0.873 0.000 . . . . . . . 24 LEU QD1 . 50961 1 86 . 1 . 1 24 24 LEU HD13 H 1 0.873 0.000 . . . . . . . 24 LEU QD1 . 50961 1 87 . 1 . 1 24 24 LEU HD21 H 1 0.828 0.000 . . . . . . . 24 LEU QD2 . 50961 1 88 . 1 . 1 24 24 LEU HD22 H 1 0.828 0.000 . . . . . . . 24 LEU QD2 . 50961 1 89 . 1 . 1 24 24 LEU HD23 H 1 0.828 0.000 . . . . . . . 24 LEU QD2 . 50961 1 90 . 1 . 1 24 24 LEU C C 13 177.060 0.000 . . . . . . . 24 LEU C . 50961 1 91 . 1 . 1 24 24 LEU CA C 13 55.070 0.000 . . . . . . . 24 LEU CA . 50961 1 92 . 1 . 1 24 24 LEU CB C 13 42.370 0.000 . . . . . . . 24 LEU CB . 50961 1 93 . 1 . 1 24 24 LEU N N 15 123.810 0.000 . . . . . . . 24 LEU N . 50961 1 94 . 1 . 1 25 25 GLN H H 1 8.253 0.000 . . . . . . . 25 GLN H . 50961 1 95 . 1 . 1 25 25 GLN HA H 1 4.218 0.000 . . . . . . . 25 GLN HA . 50961 1 96 . 1 . 1 25 25 GLN HB2 H 1 1.858 0.000 . . . . . . . 25 GLN HB2 . 50961 1 97 . 1 . 1 25 25 GLN HB3 H 1 1.914 0.000 . . . . . . . 25 GLN HB3 . 50961 1 98 . 1 . 1 25 25 GLN HG2 H 1 2.112 0.000 . . . . . . . 25 GLN HG2 . 50961 1 99 . 1 . 1 25 25 GLN HG3 H 1 2.175 0.000 . . . . . . . 25 GLN HG3 . 50961 1 100 . 1 . 1 25 25 GLN C C 13 175.340 0.000 . . . . . . . 25 GLN C . 50961 1 101 . 1 . 1 25 25 GLN CA C 13 55.810 0.000 . . . . . . . 25 GLN CA . 50961 1 102 . 1 . 1 25 25 GLN CB C 13 29.530 0.000 . . . . . . . 25 GLN CB . 50961 1 103 . 1 . 1 25 25 GLN N N 15 121.300 0.000 . . . . . . . 25 GLN N . 50961 1 104 . 1 . 1 26 26 PHE H H 1 8.142 0.000 . . . . . . . 26 PHE H . 50961 1 105 . 1 . 1 26 26 PHE HA H 1 4.595 0.000 . . . . . . . 26 PHE HA . 50961 1 106 . 1 . 1 26 26 PHE HB2 H 1 2.950 0.000 . . . . . . . 26 PHE HB2 . 50961 1 107 . 1 . 1 26 26 PHE HB3 H 1 3.082 0.000 . . . . . . . 26 PHE HB3 . 50961 1 108 . 1 . 1 26 26 PHE HD1 H 1 7.786 0.000 . . . . . . . 26 PHE QD . 50961 1 109 . 1 . 1 26 26 PHE HD2 H 1 7.786 0.000 . . . . . . . 26 PHE QD . 50961 1 110 . 1 . 1 26 26 PHE C C 13 175.130 0.000 . . . . . . . 26 PHE C . 50961 1 111 . 1 . 1 26 26 PHE CA C 13 57.420 0.000 . . . . . . . 26 PHE CA . 50961 1 112 . 1 . 1 26 26 PHE CB C 13 39.630 0.000 . . . . . . . 26 PHE CB . 50961 1 113 . 1 . 1 26 26 PHE N N 15 121.230 0.000 . . . . . . . 26 PHE N . 50961 1 114 . 1 . 1 27 27 GLN H H 1 8.220 0.000 . . . . . . . 27 GLN H . 50961 1 115 . 1 . 1 27 27 GLN HA H 1 4.587 0.000 . . . . . . . 27 GLN HA . 50961 1 116 . 1 . 1 27 27 GLN HB2 H 1 1.863 0.000 . . . . . . . 27 GLN HB2 . 50961 1 117 . 1 . 1 27 27 GLN HB3 H 1 1.968 0.000 . . . . . . . 27 GLN HB3 . 50961 1 118 . 1 . 1 27 27 GLN HG2 H 1 2.186 0.000 . . . . . . . 27 GLN HG2 . 50961 1 119 . 1 . 1 27 27 GLN HG3 H 1 2.241 0.000 . . . . . . . 27 GLN HG3 . 50961 1 120 . 1 . 1 27 27 GLN C C 13 175.140 0.000 . . . . . . . 27 GLN C . 50961 1 121 . 1 . 1 27 27 GLN CA C 13 55.420 0.000 . . . . . . . 27 GLN CA . 50961 1 122 . 1 . 1 27 27 GLN CB C 13 29.680 0.000 . . . . . . . 27 GLN CB . 50961 1 123 . 1 . 1 27 27 GLN N N 15 122.720 0.000 . . . . . . . 27 GLN N . 50961 1 124 . 1 . 1 28 28 VAL H H 1 8.219 0.000 . . . . . . . 28 VAL H . 50961 1 125 . 1 . 1 28 28 VAL HA H 1 4.303 0.000 . . . . . . . 28 VAL HA . 50961 1 126 . 1 . 1 28 28 VAL HB H 1 2.040 0.000 . . . . . . . 28 VAL HB . 50961 1 127 . 1 . 1 28 28 VAL HG11 H 1 0.958 0.000 . . . . . . . 28 VAL QG1 . 50961 1 128 . 1 . 1 28 28 VAL HG12 H 1 0.958 0.000 . . . . . . . 28 VAL QG1 . 50961 1 129 . 1 . 1 28 28 VAL HG13 H 1 0.958 0.000 . . . . . . . 28 VAL QG1 . 50961 1 130 . 1 . 1 28 28 VAL HG21 H 1 0.904 0.000 . . . . . . . 28 VAL QG2 . 50961 1 131 . 1 . 1 28 28 VAL HG22 H 1 0.904 0.000 . . . . . . . 28 VAL QG2 . 50961 1 132 . 1 . 1 28 28 VAL HG23 H 1 0.904 0.000 . . . . . . . 28 VAL QG2 . 50961 1 133 . 1 . 1 28 28 VAL C C 13 174.530 0.000 . . . . . . . 28 VAL C . 50961 1 134 . 1 . 1 28 28 VAL CA C 13 60.030 0.000 . . . . . . . 28 VAL CA . 50961 1 135 . 1 . 1 28 28 VAL CB C 13 32.480 0.000 . . . . . . . 28 VAL CB . 50961 1 136 . 1 . 1 28 28 VAL CG1 C 13 21.000 0.000 . . . . . . . 28 VAL CG1 . 50961 1 137 . 1 . 1 28 28 VAL CG2 C 13 21.000 0.000 . . . . . . . 28 VAL CG2 . 50961 1 138 . 1 . 1 28 28 VAL N N 15 123.800 0.000 . . . . . . . 28 VAL N . 50961 1 139 . 1 . 1 29 29 PRO HA H 1 4.353 0.000 . . . . . . . 29 PRO HA . 50961 1 140 . 1 . 1 29 29 PRO HB2 H 1 2.000 0.000 . . . . . . . 29 PRO HB2 . 50961 1 141 . 1 . 1 29 29 PRO HB3 H 1 2.226 0.000 . . . . . . . 29 PRO HB3 . 50961 1 142 . 1 . 1 29 29 PRO HG2 H 1 2.050 0.000 . . . . . . . 29 PRO HG2 . 50961 1 143 . 1 . 1 29 29 PRO HG3 H 1 2.150 0.000 . . . . . . . 29 PRO HG3 . 50961 1 144 . 1 . 1 29 29 PRO HD2 H 1 3.648 0.000 . . . . . . . 29 PRO HD2 . 50961 1 145 . 1 . 1 29 29 PRO HD3 H 1 3.851 0.000 . . . . . . . 29 PRO HD3 . 50961 1 146 . 1 . 1 29 29 PRO C C 13 176.930 0.000 . . . . . . . 29 PRO C . 50961 1 147 . 1 . 1 29 29 PRO CA C 13 63.100 0.000 . . . . . . . 29 PRO CA . 50961 1 148 . 1 . 1 29 29 PRO CB C 13 32.100 0.000 . . . . . . . 29 PRO CB . 50961 1 149 . 1 . 1 30 30 GLU H H 1 8.484 0.000 . . . . . . . 30 GLU H . 50961 1 150 . 1 . 1 30 30 GLU HA H 1 4.263 0.000 . . . . . . . 30 GLU HA . 50961 1 151 . 1 . 1 30 30 GLU HB2 H 1 1.640 0.000 . . . . . . . 30 GLU HB2 . 50961 1 152 . 1 . 1 30 30 GLU HB3 H 1 1.738 0.000 . . . . . . . 30 GLU HB3 . 50961 1 153 . 1 . 1 30 30 GLU HG2 H 1 1.774 0.000 . . . . . . . 30 GLU HG2 . 50961 1 154 . 1 . 1 30 30 GLU HG3 H 1 1.835 0.000 . . . . . . . 30 GLU HG3 . 50961 1 155 . 1 . 1 30 30 GLU C C 13 177.040 0.000 . . . . . . . 30 GLU C . 50961 1 156 . 1 . 1 30 30 GLU CA C 13 56.470 0.000 . . . . . . . 30 GLU CA . 50961 1 157 . 1 . 1 30 30 GLU CB C 13 30.770 0.000 . . . . . . . 30 GLU CB . 50961 1 158 . 1 . 1 30 30 GLU N N 15 122.700 0.000 . . . . . . . 30 GLU N . 50961 1 159 . 1 . 1 31 31 GLY H H 1 8.486 0.000 . . . . . . . 31 GLY H . 50961 1 160 . 1 . 1 31 31 GLY HA2 H 1 3.961 0.000 . . . . . . . 31 GLY HA2 . 50961 1 161 . 1 . 1 31 31 GLY HA3 H 1 3.910 0.000 . . . . . . . 31 GLY HA3 . 50961 1 162 . 1 . 1 31 31 GLY C C 13 174.170 0.000 . . . . . . . 31 GLY C . 50961 1 163 . 1 . 1 31 31 GLY CA C 13 45.300 0.000 . . . . . . . 31 GLY CA . 50961 1 164 . 1 . 1 31 31 GLY N N 15 110.990 0.000 . . . . . . . 31 GLY N . 50961 1 165 . 1 . 1 32 32 LEU H H 1 8.030 0.000 . . . . . . . 32 LEU H . 50961 1 166 . 1 . 1 32 32 LEU HA H 1 4.328 0.000 . . . . . . . 32 LEU HA . 50961 1 167 . 1 . 1 32 32 LEU HB2 H 1 1.553 0.000 . . . . . . . 32 LEU HB2 . 50961 1 168 . 1 . 1 32 32 LEU HB3 H 1 1.593 0.000 . . . . . . . 32 LEU HB3 . 50961 1 169 . 1 . 1 32 32 LEU HG H 1 1.459 0.000 . . . . . . . 32 LEU HG . 50961 1 170 . 1 . 1 32 32 LEU HD11 H 1 0.891 0.000 . . . . . . . 32 LEU QD1 . 50961 1 171 . 1 . 1 32 32 LEU HD12 H 1 0.891 0.000 . . . . . . . 32 LEU QD1 . 50961 1 172 . 1 . 1 32 32 LEU HD13 H 1 0.891 0.000 . . . . . . . 32 LEU QD1 . 50961 1 173 . 1 . 1 32 32 LEU HD21 H 1 0.836 0.000 . . . . . . . 32 LEU QD2 . 50961 1 174 . 1 . 1 32 32 LEU HD22 H 1 0.836 0.000 . . . . . . . 32 LEU QD2 . 50961 1 175 . 1 . 1 32 32 LEU HD23 H 1 0.836 0.000 . . . . . . . 32 LEU QD2 . 50961 1 176 . 1 . 1 32 32 LEU C C 13 177.370 0.000 . . . . . . . 32 LEU C . 50961 1 177 . 1 . 1 32 32 LEU CA C 13 55.150 0.000 . . . . . . . 32 LEU CA . 50961 1 178 . 1 . 1 32 32 LEU CB C 13 42.460 0.000 . . . . . . . 32 LEU CB . 50961 1 179 . 1 . 1 32 32 LEU N N 15 122.010 0.000 . . . . . . . 32 LEU N . 50961 1 180 . 1 . 1 33 33 CYS H H 1 8.361 0.000 . . . . . . . 33 CYS H . 50961 1 181 . 1 . 1 33 33 CYS HA H 1 4.447 0.000 . . . . . . . 33 CYS HA . 50961 1 182 . 1 . 1 33 33 CYS HB2 H 1 2.874 0.000 . . . . . . . 33 CYS HB2 . 50961 1 183 . 1 . 1 33 33 CYS HB3 H 1 2.927 0.000 . . . . . . . 33 CYS HB3 . 50961 1 184 . 1 . 1 33 33 CYS C C 13 174.370 0.000 . . . . . . . 33 CYS C . 50961 1 185 . 1 . 1 33 33 CYS CA C 13 58.410 0.000 . . . . . . . 33 CYS CA . 50961 1 186 . 1 . 1 33 33 CYS CB C 13 28.070 0.000 . . . . . . . 33 CYS CB . 50961 1 187 . 1 . 1 33 33 CYS N N 15 120.530 0.000 . . . . . . . 33 CYS N . 50961 1 188 . 1 . 1 34 34 ALA H H 1 8.415 0.000 . . . . . . . 34 ALA H . 50961 1 189 . 1 . 1 34 34 ALA HA H 1 4.301 0.000 . . . . . . . 34 ALA HA . 50961 1 190 . 1 . 1 34 34 ALA HB1 H 1 1.366 0.000 . . . . . . . 34 ALA HB# . 50961 1 191 . 1 . 1 34 34 ALA HB2 H 1 1.366 0.000 . . . . . . . 34 ALA HB# . 50961 1 192 . 1 . 1 34 34 ALA HB3 H 1 1.366 0.000 . . . . . . . 34 ALA HB# . 50961 1 193 . 1 . 1 34 34 ALA C C 13 177.590 0.000 . . . . . . . 34 ALA C . 50961 1 194 . 1 . 1 34 34 ALA CA C 13 52.760 0.000 . . . . . . . 34 ALA CA . 50961 1 195 . 1 . 1 34 34 ALA CB C 13 19.360 0.000 . . . . . . . 34 ALA CB . 50961 1 196 . 1 . 1 34 34 ALA N N 15 127.130 0.000 . . . . . . . 34 ALA N . 50961 1 197 . 1 . 1 35 35 SER H H 1 8.234 0.000 . . . . . . . 35 SER H . 50961 1 198 . 1 . 1 35 35 SER HA H 1 4.434 0.000 . . . . . . . 35 SER HA . 50961 1 199 . 1 . 1 35 35 SER HB2 H 1 3.800 0.000 . . . . . . . 35 SER HB2 . 50961 1 200 . 1 . 1 35 35 SER HB3 H 1 3.859 0.000 . . . . . . . 35 SER HB3 . 50961 1 201 . 1 . 1 35 35 SER C C 13 174.100 0.000 . . . . . . . 35 SER C . 50961 1 202 . 1 . 1 35 35 SER CA C 13 58.190 0.000 . . . . . . . 35 SER CA . 50961 1 203 . 1 . 1 35 35 SER CB C 13 63.890 0.000 . . . . . . . 35 SER CB . 50961 1 204 . 1 . 1 35 35 SER N N 15 115.340 0.000 . . . . . . . 35 SER N . 50961 1 205 . 1 . 1 36 36 SER H H 1 8.232 0.000 . . . . . . . 36 SER H . 50961 1 206 . 1 . 1 36 36 SER HA H 1 4.593 0.000 . . . . . . . 36 SER HA . 50961 1 207 . 1 . 1 36 36 SER HB2 H 1 3.800 0.000 . . . . . . . 36 SER HB2 . 50961 1 208 . 1 . 1 36 36 SER HB3 H 1 3.856 0.000 . . . . . . . 36 SER HB3 . 50961 1 209 . 1 . 1 36 36 SER C C 13 172.800 0.000 . . . . . . . 36 SER C . 50961 1 210 . 1 . 1 36 36 SER CA C 13 56.470 0.000 . . . . . . . 36 SER CA . 50961 1 211 . 1 . 1 36 36 SER CB C 13 63.420 0.000 . . . . . . . 36 SER CB . 50961 1 212 . 1 . 1 36 36 SER N N 15 119.150 0.000 . . . . . . . 36 SER N . 50961 1 213 . 1 . 1 37 37 PRO HA H 1 4.468 0.000 . . . . . . . 37 PRO HA . 50961 1 214 . 1 . 1 37 37 PRO HB2 H 1 1.883 0.000 . . . . . . . 37 PRO HB2 . 50961 1 215 . 1 . 1 37 37 PRO HB3 H 1 2.254 0.000 . . . . . . . 37 PRO HB3 . 50961 1 216 . 1 . 1 37 37 PRO HG2 H 1 1.989 0.000 . . . . . . . 37 PRO HG2 . 50961 1 217 . 1 . 1 37 37 PRO HG3 H 1 2.061 0.000 . . . . . . . 37 PRO HG3 . 50961 1 218 . 1 . 1 37 37 PRO HD2 H 1 3.721 0.000 . . . . . . . 37 PRO HD2 . 50961 1 219 . 1 . 1 37 37 PRO HD3 H 1 3.813 0.000 . . . . . . . 37 PRO HD3 . 50961 1 220 . 1 . 1 37 37 PRO C C 13 177.040 0.000 . . . . . . . 37 PRO C . 50961 1 221 . 1 . 1 37 37 PRO CA C 13 63.480 0.000 . . . . . . . 37 PRO CA . 50961 1 222 . 1 . 1 37 37 PRO CB C 13 32.220 0.000 . . . . . . . 37 PRO CB . 50961 1 223 . 1 . 1 38 38 THR H H 1 8.191 0.000 . . . . . . . 38 THR H . 50961 1 224 . 1 . 1 38 38 THR HA H 1 4.261 0.000 . . . . . . . 38 THR HA . 50961 1 225 . 1 . 1 38 38 THR HB H 1 4.138 0.000 . . . . . . . 38 THR HB . 50961 1 226 . 1 . 1 38 38 THR HG21 H 1 1.170 0.000 . . . . . . . 38 THR QG2 . 50961 1 227 . 1 . 1 38 38 THR HG22 H 1 1.170 0.000 . . . . . . . 38 THR QG2 . 50961 1 228 . 1 . 1 38 38 THR HG23 H 1 1.170 0.000 . . . . . . . 38 THR QG2 . 50961 1 229 . 1 . 1 38 38 THR C C 13 174.570 0.000 . . . . . . . 38 THR C . 50961 1 230 . 1 . 1 38 38 THR CA C 13 62.070 0.000 . . . . . . . 38 THR CA . 50961 1 231 . 1 . 1 38 38 THR CB C 13 69.640 0.000 . . . . . . . 38 THR CB . 50961 1 232 . 1 . 1 38 38 THR N N 15 114.900 0.000 . . . . . . . 38 THR N . 50961 1 233 . 1 . 1 39 39 LEU H H 1 8.251 0.000 . . . . . . . 39 LEU H . 50961 1 234 . 1 . 1 39 39 LEU HA H 1 4.417 0.000 . . . . . . . 39 LEU HA . 50961 1 235 . 1 . 1 39 39 LEU HB2 H 1 1.585 0.000 . . . . . . . 39 LEU HB2 . 50961 1 236 . 1 . 1 39 39 LEU HB3 H 1 1.625 0.000 . . . . . . . 39 LEU HB3 . 50961 1 237 . 1 . 1 39 39 LEU HG H 1 1.515 0.000 . . . . . . . 39 LEU HG . 50961 1 238 . 1 . 1 39 39 LEU HD11 H 1 0.855 0.000 . . . . . . . 39 LEU QD1 . 50961 1 239 . 1 . 1 39 39 LEU HD12 H 1 0.855 0.000 . . . . . . . 39 LEU QD1 . 50961 1 240 . 1 . 1 39 39 LEU HD13 H 1 0.855 0.000 . . . . . . . 39 LEU QD1 . 50961 1 241 . 1 . 1 39 39 LEU HD21 H 1 0.817 0.000 . . . . . . . 39 LEU QD2 . 50961 1 242 . 1 . 1 39 39 LEU HD22 H 1 0.817 0.000 . . . . . . . 39 LEU QD2 . 50961 1 243 . 1 . 1 39 39 LEU HD23 H 1 0.817 0.000 . . . . . . . 39 LEU QD2 . 50961 1 244 . 1 . 1 39 39 LEU C C 13 177.330 0.000 . . . . . . . 39 LEU C . 50961 1 245 . 1 . 1 39 39 LEU CA C 13 55.240 0.000 . . . . . . . 39 LEU CA . 50961 1 246 . 1 . 1 39 39 LEU CB C 13 42.520 0.000 . . . . . . . 39 LEU CB . 50961 1 247 . 1 . 1 39 39 LEU N N 15 125.380 0.000 . . . . . . . 39 LEU N . 50961 1 248 . 1 . 1 40 40 THR H H 1 8.109 0.000 . . . . . . . 40 THR H . 50961 1 249 . 1 . 1 40 40 THR HA H 1 4.325 0.000 . . . . . . . 40 THR HA . 50961 1 250 . 1 . 1 40 40 THR HB H 1 4.173 0.000 . . . . . . . 40 THR HB . 50961 1 251 . 1 . 1 40 40 THR HG21 H 1 1.147 0.000 . . . . . . . 40 THR QG2 . 50961 1 252 . 1 . 1 40 40 THR HG22 H 1 1.147 0.000 . . . . . . . 40 THR QG2 . 50961 1 253 . 1 . 1 40 40 THR HG23 H 1 1.147 0.000 . . . . . . . 40 THR QG2 . 50961 1 254 . 1 . 1 40 40 THR C C 13 174.250 0.000 . . . . . . . 40 THR C . 50961 1 255 . 1 . 1 40 40 THR CA C 13 61.640 0.000 . . . . . . . 40 THR CA . 50961 1 256 . 1 . 1 40 40 THR CB C 13 69.940 0.000 . . . . . . . 40 THR CB . 50961 1 257 . 1 . 1 40 40 THR N N 15 115.230 0.000 . . . . . . . 40 THR N . 50961 1 258 . 1 . 1 41 41 SER H H 1 8.290 0.000 . . . . . . . 41 SER H . 50961 1 259 . 1 . 1 41 41 SER HA H 1 4.521 0.000 . . . . . . . 41 SER HA . 50961 1 260 . 1 . 1 41 41 SER HB2 H 1 3.773 0.000 . . . . . . . 41 SER HB2 . 50961 1 261 . 1 . 1 41 41 SER HB3 H 1 3.830 0.000 . . . . . . . 41 SER HB3 . 50961 1 262 . 1 . 1 41 41 SER C C 13 172.620 0.000 . . . . . . . 41 SER C . 50961 1 263 . 1 . 1 41 41 SER CA C 13 56.520 0.000 . . . . . . . 41 SER CA . 50961 1 264 . 1 . 1 41 41 SER CB C 13 63.480 0.000 . . . . . . . 41 SER CB . 50961 1 265 . 1 . 1 41 41 SER N N 15 119.930 0.000 . . . . . . . 41 SER N . 50961 1 266 . 1 . 1 42 42 PRO HA H 1 4.360 0.000 . . . . . . . 42 PRO HA . 50961 1 267 . 1 . 1 42 42 PRO HB2 H 1 1.872 0.000 . . . . . . . 42 PRO HB2 . 50961 1 268 . 1 . 1 42 42 PRO HB3 H 1 2.246 0.000 . . . . . . . 42 PRO HB3 . 50961 1 269 . 1 . 1 42 42 PRO HG2 H 1 1.983 0.000 . . . . . . . 42 PRO HG2 . 50961 1 270 . 1 . 1 42 42 PRO HG3 H 1 2.055 0.000 . . . . . . . 42 PRO HG3 . 50961 1 271 . 1 . 1 42 42 PRO HD2 H 1 3.665 0.000 . . . . . . . 42 PRO HD2 . 50961 1 272 . 1 . 1 42 42 PRO HD3 H 1 3.788 0.000 . . . . . . . 42 PRO HD3 . 50961 1 273 . 1 . 1 42 42 PRO C C 13 176.820 0.000 . . . . . . . 42 PRO C . 50961 1 274 . 1 . 1 42 42 PRO CA C 13 63.450 0.000 . . . . . . . 42 PRO CA . 50961 1 275 . 1 . 1 42 42 PRO CB C 13 32.110 0.000 . . . . . . . 42 PRO CB . 50961 1 276 . 1 . 1 43 43 MET H H 1 8.286 0.000 . . . . . . . 43 MET H . 50961 1 277 . 1 . 1 43 43 MET HA H 1 4.328 0.000 . . . . . . . 43 MET HA . 50961 1 278 . 1 . 1 43 43 MET HB2 H 1 1.877 0.000 . . . . . . . 43 MET HB2 . 50961 1 279 . 1 . 1 43 43 MET HB3 H 1 1.934 0.000 . . . . . . . 43 MET HB3 . 50961 1 280 . 1 . 1 43 43 MET HG2 H 1 2.420 0.000 . . . . . . . 43 MET HG2 . 50961 1 281 . 1 . 1 43 43 MET HG3 H 1 2.458 0.000 . . . . . . . 43 MET HG3 . 50961 1 282 . 1 . 1 43 43 MET HE1 H 1 2.014 0.000 . . . . . . . 43 MET HE# . 50961 1 283 . 1 . 1 43 43 MET HE2 H 1 2.014 0.000 . . . . . . . 43 MET HE# . 50961 1 284 . 1 . 1 43 43 MET HE3 H 1 2.014 0.000 . . . . . . . 43 MET HE# . 50961 1 285 . 1 . 1 43 43 MET C C 13 175.750 0.000 . . . . . . . 43 MET C . 50961 1 286 . 1 . 1 43 43 MET CA C 13 55.520 0.000 . . . . . . . 43 MET CA . 50961 1 287 . 1 . 1 43 43 MET CB C 13 32.840 0.000 . . . . . . . 43 MET CB . 50961 1 288 . 1 . 1 43 43 MET N N 15 120.390 0.000 . . . . . . . 43 MET N . 50961 1 289 . 1 . 1 44 44 GLU H H 1 8.161 0.000 . . . . . . . 44 GLU H . 50961 1 290 . 1 . 1 44 44 GLU HA H 1 4.211 0.000 . . . . . . . 44 GLU HA . 50961 1 291 . 1 . 1 44 44 GLU HB2 H 1 1.790 0.000 . . . . . . . 44 GLU HB2 . 50961 1 292 . 1 . 1 44 44 GLU HB3 H 1 1.886 0.000 . . . . . . . 44 GLU HB3 . 50961 1 293 . 1 . 1 44 44 GLU HG2 H 1 2.099 0.000 . . . . . . . 44 GLU HG2 . 50961 1 294 . 1 . 1 44 44 GLU HG3 H 1 2.144 0.000 . . . . . . . 44 GLU HG3 . 50961 1 295 . 1 . 1 44 44 GLU C C 13 175.470 0.000 . . . . . . . 44 GLU C . 50961 1 296 . 1 . 1 44 44 GLU CA C 13 56.160 0.000 . . . . . . . 44 GLU CA . 50961 1 297 . 1 . 1 44 44 GLU CB C 13 30.790 0.000 . . . . . . . 44 GLU CB . 50961 1 298 . 1 . 1 44 44 GLU N N 15 122.160 0.000 . . . . . . . 44 GLU N . 50961 1 299 . 1 . 1 45 45 TYR H H 1 8.195 0.000 . . . . . . . 45 TYR H . 50961 1 300 . 1 . 1 45 45 TYR HA H 1 4.756 0.000 . . . . . . . 45 TYR HA . 50961 1 301 . 1 . 1 45 45 TYR HB2 H 1 2.774 0.000 . . . . . . . 45 TYR HB2 . 50961 1 302 . 1 . 1 45 45 TYR HB3 H 1 3.014 0.000 . . . . . . . 45 TYR HB3 . 50961 1 303 . 1 . 1 45 45 TYR HD1 H 1 7.100 0.000 . . . . . . . 45 TYR QD . 50961 1 304 . 1 . 1 45 45 TYR HD2 H 1 7.100 0.000 . . . . . . . 45 TYR QD . 50961 1 305 . 1 . 1 45 45 TYR C C 13 173.790 0.000 . . . . . . . 45 TYR C . 50961 1 306 . 1 . 1 45 45 TYR CA C 13 55.700 0.000 . . . . . . . 45 TYR CA . 50961 1 307 . 1 . 1 45 45 TYR CB C 13 38.420 0.000 . . . . . . . 45 TYR CB . 50961 1 308 . 1 . 1 45 45 TYR N N 15 122.420 0.000 . . . . . . . 45 TYR N . 50961 1 309 . 1 . 1 46 46 PRO HA H 1 4.420 0.000 . . . . . . . 46 PRO HA . 50961 1 310 . 1 . 1 46 46 PRO HB2 H 1 1.853 0.000 . . . . . . . 46 PRO HB2 . 50961 1 311 . 1 . 1 46 46 PRO HB3 H 1 2.203 0.000 . . . . . . . 46 PRO HB3 . 50961 1 312 . 1 . 1 46 46 PRO HG2 H 1 1.957 0.000 . . . . . . . 46 PRO HG2 . 50961 1 313 . 1 . 1 46 46 PRO HG3 H 1 1.987 0.000 . . . . . . . 46 PRO HG3 . 50961 1 314 . 1 . 1 46 46 PRO HD2 H 1 3.600 0.000 . . . . . . . 46 PRO HD2 . 50961 1 315 . 1 . 1 46 46 PRO HD3 H 1 3.700 0.000 . . . . . . . 46 PRO HD3 . 50961 1 316 . 1 . 1 46 46 PRO C C 13 176.570 0.000 . . . . . . . 46 PRO C . 50961 1 317 . 1 . 1 46 46 PRO CA C 13 62.970 0.000 . . . . . . . 46 PRO CA . 50961 1 318 . 1 . 1 46 46 PRO CB C 13 32.110 0.000 . . . . . . . 46 PRO CB . 50961 1 319 . 1 . 1 47 47 SER H H 1 8.368 0.000 . . . . . . . 47 SER H . 50961 1 320 . 1 . 1 47 47 SER HA H 1 4.548 0.000 . . . . . . . 47 SER HA . 50961 1 321 . 1 . 1 47 47 SER HB2 H 1 3.800 0.000 . . . . . . . 47 SER HB2 . 50961 1 322 . 1 . 1 47 47 SER HB3 H 1 3.851 0.000 . . . . . . . 47 SER HB3 . 50961 1 323 . 1 . 1 47 47 SER C C 13 173.010 0.000 . . . . . . . 47 SER C . 50961 1 324 . 1 . 1 47 47 SER CA C 13 56.380 0.000 . . . . . . . 47 SER CA . 50961 1 325 . 1 . 1 47 47 SER CB C 13 63.520 0.000 . . . . . . . 47 SER CB . 50961 1 326 . 1 . 1 47 47 SER N N 15 118.220 0.000 . . . . . . . 47 SER N . 50961 1 327 . 1 . 1 48 48 PRO HA H 1 4.440 0.000 . . . . . . . 48 PRO HA . 50961 1 328 . 1 . 1 48 48 PRO HB2 H 1 1.888 0.000 . . . . . . . 48 PRO HB2 . 50961 1 329 . 1 . 1 48 48 PRO HB3 H 1 2.250 0.000 . . . . . . . 48 PRO HB3 . 50961 1 330 . 1 . 1 48 48 PRO HG2 H 1 1.983 0.000 . . . . . . . 48 PRO HG2 . 50961 1 331 . 1 . 1 48 48 PRO HG3 H 1 2.050 0.000 . . . . . . . 48 PRO HG3 . 50961 1 332 . 1 . 1 48 48 PRO HD2 H 1 3.697 0.000 . . . . . . . 48 PRO HD2 . 50961 1 333 . 1 . 1 48 48 PRO HD3 H 1 3.840 0.000 . . . . . . . 48 PRO HD3 . 50961 1 334 . 1 . 1 48 48 PRO C C 13 177.090 0.000 . . . . . . . 48 PRO C . 50961 1 335 . 1 . 1 48 48 PRO CA C 13 63.440 0.000 . . . . . . . 48 PRO CA . 50961 1 336 . 1 . 1 48 48 PRO CB C 13 32.080 0.000 . . . . . . . 48 PRO CB . 50961 1 337 . 1 . 1 49 49 VAL H H 1 8.151 0.000 . . . . . . . 49 VAL H . 50961 1 338 . 1 . 1 49 49 VAL HA H 1 4.017 0.000 . . . . . . . 49 VAL HA . 50961 1 339 . 1 . 1 49 49 VAL HB H 1 2.030 0.000 . . . . . . . 49 VAL HB . 50961 1 340 . 1 . 1 49 49 VAL HG11 H 1 0.917 0.000 . . . . . . . 49 VAL QG1 . 50961 1 341 . 1 . 1 49 49 VAL HG12 H 1 0.917 0.000 . . . . . . . 49 VAL QG1 . 50961 1 342 . 1 . 1 49 49 VAL HG13 H 1 0.917 0.000 . . . . . . . 49 VAL QG1 . 50961 1 343 . 1 . 1 49 49 VAL HG21 H 1 0.877 0.000 . . . . . . . 49 VAL QG2 . 50961 1 344 . 1 . 1 49 49 VAL HG22 H 1 0.877 0.000 . . . . . . . 49 VAL QG2 . 50961 1 345 . 1 . 1 49 49 VAL HG23 H 1 0.877 0.000 . . . . . . . 49 VAL QG2 . 50961 1 346 . 1 . 1 49 49 VAL C C 13 176.030 0.000 . . . . . . . 49 VAL C . 50961 1 347 . 1 . 1 49 49 VAL CA C 13 62.610 0.000 . . . . . . . 49 VAL CA . 50961 1 348 . 1 . 1 49 49 VAL CB C 13 32.690 0.000 . . . . . . . 49 VAL CB . 50961 1 349 . 1 . 1 49 49 VAL CG1 C 13 21.000 0.000 . . . . . . . 49 VAL CG1 . 50961 1 350 . 1 . 1 49 49 VAL CG2 C 13 21.000 0.000 . . . . . . . 49 VAL CG2 . 50961 1 351 . 1 . 1 49 49 VAL N N 15 120.230 0.000 . . . . . . . 49 VAL N . 50961 1 352 . 1 . 1 50 50 ASN H H 1 8.400 0.000 . . . . . . . 50 ASN H . 50961 1 353 . 1 . 1 50 50 ASN HA H 1 4.692 0.000 . . . . . . . 50 ASN HA . 50961 1 354 . 1 . 1 50 50 ASN HB2 H 1 2.700 0.000 . . . . . . . 50 ASN HB2 . 50961 1 355 . 1 . 1 50 50 ASN HB3 H 1 2.800 0.000 . . . . . . . 50 ASN HB3 . 50961 1 356 . 1 . 1 50 50 ASN C C 13 175.240 0.000 . . . . . . . 50 ASN C . 50961 1 357 . 1 . 1 50 50 ASN CA C 13 53.180 0.000 . . . . . . . 50 ASN CA . 50961 1 358 . 1 . 1 50 50 ASN CB C 13 38.860 0.000 . . . . . . . 50 ASN CB . 50961 1 359 . 1 . 1 50 50 ASN N N 15 122.250 0.000 . . . . . . . 50 ASN N . 50961 1 360 . 1 . 1 51 51 SER H H 1 8.236 0.000 . . . . . . . 51 SER H . 50961 1 361 . 1 . 1 51 51 SER HA H 1 4.484 0.000 . . . . . . . 51 SER HA . 50961 1 362 . 1 . 1 51 51 SER HB2 H 1 3.800 0.000 . . . . . . . 51 SER HB2 . 50961 1 363 . 1 . 1 51 51 SER HB3 H 1 3.900 0.000 . . . . . . . 51 SER HB3 . 50961 1 364 . 1 . 1 51 51 SER C C 13 174.500 0.000 . . . . . . . 51 SER C . 50961 1 365 . 1 . 1 51 51 SER CA C 13 58.520 0.000 . . . . . . . 51 SER CA . 50961 1 366 . 1 . 1 51 51 SER CB C 13 63.750 0.000 . . . . . . . 51 SER CB . 50961 1 367 . 1 . 1 51 51 SER N N 15 116.930 0.000 . . . . . . . 51 SER N . 50961 1 368 . 1 . 1 52 52 LEU H H 1 8.179 0.000 . . . . . . . 52 LEU H . 50961 1 369 . 1 . 1 52 52 LEU HA H 1 4.380 0.000 . . . . . . . 52 LEU HA . 50961 1 370 . 1 . 1 52 52 LEU HB2 H 1 1.409 0.000 . . . . . . . 52 LEU HB2 . 50961 1 371 . 1 . 1 52 52 LEU HB3 H 1 1.520 0.000 . . . . . . . 52 LEU HB3 . 50961 1 372 . 1 . 1 52 52 LEU HG H 1 1.343 0.000 . . . . . . . 52 LEU HG . 50961 1 373 . 1 . 1 52 52 LEU HD11 H 1 0.857 0.000 . . . . . . . 52 LEU QD1 . 50961 1 374 . 1 . 1 52 52 LEU HD12 H 1 0.857 0.000 . . . . . . . 52 LEU QD1 . 50961 1 375 . 1 . 1 52 52 LEU HD13 H 1 0.857 0.000 . . . . . . . 52 LEU QD1 . 50961 1 376 . 1 . 1 52 52 LEU HD21 H 1 0.807 0.000 . . . . . . . 52 LEU QD2 . 50961 1 377 . 1 . 1 52 52 LEU HD22 H 1 0.807 0.000 . . . . . . . 52 LEU QD2 . 50961 1 378 . 1 . 1 52 52 LEU HD23 H 1 0.807 0.000 . . . . . . . 52 LEU QD2 . 50961 1 379 . 1 . 1 52 52 LEU C C 13 177.130 0.000 . . . . . . . 52 LEU C . 50961 1 380 . 1 . 1 52 52 LEU CA C 13 55.400 0.000 . . . . . . . 52 LEU CA . 50961 1 381 . 1 . 1 52 52 LEU CB C 13 42.310 0.000 . . . . . . . 52 LEU CB . 50961 1 382 . 1 . 1 52 52 LEU N N 15 123.650 0.000 . . . . . . . 52 LEU N . 50961 1 383 . 1 . 1 53 53 HIS H H 1 8.217 0.000 . . . . . . . 53 HIS H . 50961 1 384 . 1 . 1 53 53 HIS HA H 1 4.651 0.000 . . . . . . . 53 HIS HA . 50961 1 385 . 1 . 1 53 53 HIS HB2 H 1 2.987 0.000 . . . . . . . 53 HIS HB2 . 50961 1 386 . 1 . 1 53 53 HIS HB3 H 1 3.022 0.000 . . . . . . . 53 HIS HB3 . 50961 1 387 . 1 . 1 53 53 HIS C C 13 174.890 0.000 . . . . . . . 53 HIS C . 50961 1 388 . 1 . 1 53 53 HIS CA C 13 55.580 0.000 . . . . . . . 53 HIS CA . 50961 1 389 . 1 . 1 53 53 HIS CB C 13 30.740 0.000 . . . . . . . 53 HIS CB . 50961 1 390 . 1 . 1 53 53 HIS N N 15 119.930 0.000 . . . . . . . 53 HIS N . 50961 1 391 . 1 . 1 54 54 THR H H 1 8.021 0.000 . . . . . . . 54 THR H . 50961 1 392 . 1 . 1 54 54 THR HA H 1 4.507 0.000 . . . . . . . 54 THR HA . 50961 1 393 . 1 . 1 54 54 THR HB H 1 4.042 0.000 . . . . . . . 54 THR HB . 50961 1 394 . 1 . 1 54 54 THR HG21 H 1 1.170 0.000 . . . . . . . 54 THR QG2 . 50961 1 395 . 1 . 1 54 54 THR HG22 H 1 1.170 0.000 . . . . . . . 54 THR QG2 . 50961 1 396 . 1 . 1 54 54 THR HG23 H 1 1.170 0.000 . . . . . . . 54 THR QG2 . 50961 1 397 . 1 . 1 54 54 THR C C 13 172.080 0.000 . . . . . . . 54 THR C . 50961 1 398 . 1 . 1 54 54 THR CA C 13 59.780 0.000 . . . . . . . 54 THR CA . 50961 1 399 . 1 . 1 54 54 THR CB C 13 69.720 0.000 . . . . . . . 54 THR CB . 50961 1 400 . 1 . 1 54 54 THR N N 15 118.760 0.000 . . . . . . . 54 THR N . 50961 1 401 . 1 . 1 55 55 PRO HA H 1 4.390 0.000 . . . . . . . 55 PRO HA . 50961 1 402 . 1 . 1 55 55 PRO HB2 H 1 1.929 0.000 . . . . . . . 55 PRO HB2 . 50961 1 403 . 1 . 1 55 55 PRO HB3 H 1 2.248 0.000 . . . . . . . 55 PRO HB3 . 50961 1 404 . 1 . 1 55 55 PRO HG2 H 1 2.050 0.000 . . . . . . . 55 PRO HG2 . 50961 1 405 . 1 . 1 55 55 PRO HG3 H 1 2.150 0.000 . . . . . . . 55 PRO HG3 . 50961 1 406 . 1 . 1 55 55 PRO HD2 H 1 3.595 0.000 . . . . . . . 55 PRO HD2 . 50961 1 407 . 1 . 1 55 55 PRO HD3 H 1 3.782 0.000 . . . . . . . 55 PRO HD3 . 50961 1 408 . 1 . 1 55 55 PRO CA C 13 63.470 0.000 . . . . . . . 55 PRO CA . 50961 1 409 . 1 . 1 55 55 PRO CB C 13 32.200 0.000 . . . . . . . 55 PRO CB . 50961 1 410 . 1 . 1 56 56 PRO HA H 1 4.346 0.000 . . . . . . . 56 PRO HA . 50961 1 411 . 1 . 1 56 56 PRO HB2 H 1 1.766 0.000 . . . . . . . 56 PRO HB2 . 50961 1 412 . 1 . 1 56 56 PRO HB3 H 1 2.206 0.000 . . . . . . . 56 PRO HB3 . 50961 1 413 . 1 . 1 56 56 PRO HG2 H 1 1.905 0.000 . . . . . . . 56 PRO HG2 . 50961 1 414 . 1 . 1 56 56 PRO HG3 H 1 1.955 0.000 . . . . . . . 56 PRO HG3 . 50961 1 415 . 1 . 1 56 56 PRO HD2 H 1 3.600 0.000 . . . . . . . 56 PRO HD2 . 50961 1 416 . 1 . 1 56 56 PRO HD3 H 1 3.715 0.000 . . . . . . . 56 PRO HD3 . 50961 1 417 . 1 . 1 56 56 PRO C C 13 176.800 0.000 . . . . . . . 56 PRO C . 50961 1 418 . 1 . 1 56 56 PRO CA C 13 63.040 0.000 . . . . . . . 56 PRO CA . 50961 1 419 . 1 . 1 56 56 PRO CB C 13 31.950 0.000 . . . . . . . 56 PRO CB . 50961 1 420 . 1 . 1 57 57 LEU H H 1 8.262 0.000 . . . . . . . 57 LEU H . 50961 1 421 . 1 . 1 57 57 LEU HA H 1 4.186 0.000 . . . . . . . 57 LEU HA . 50961 1 422 . 1 . 1 57 57 LEU HB2 H 1 1.402 0.000 . . . . . . . 57 LEU HB2 . 50961 1 423 . 1 . 1 57 57 LEU HB3 H 1 1.506 0.000 . . . . . . . 57 LEU HB3 . 50961 1 424 . 1 . 1 57 57 LEU HG H 1 1.600 0.000 . . . . . . . 57 LEU HG . 50961 1 425 . 1 . 1 57 57 LEU HD11 H 1 0.841 0.000 . . . . . . . 57 LEU QD1 . 50961 1 426 . 1 . 1 57 57 LEU HD12 H 1 0.841 0.000 . . . . . . . 57 LEU QD1 . 50961 1 427 . 1 . 1 57 57 LEU HD13 H 1 0.841 0.000 . . . . . . . 57 LEU QD1 . 50961 1 428 . 1 . 1 57 57 LEU HD21 H 1 0.789 0.000 . . . . . . . 57 LEU QD2 . 50961 1 429 . 1 . 1 57 57 LEU HD22 H 1 0.789 0.000 . . . . . . . 57 LEU QD2 . 50961 1 430 . 1 . 1 57 57 LEU HD23 H 1 0.789 0.000 . . . . . . . 57 LEU QD2 . 50961 1 431 . 1 . 1 57 57 LEU C C 13 177.160 0.000 . . . . . . . 57 LEU C . 50961 1 432 . 1 . 1 57 57 LEU CA C 13 55.400 0.000 . . . . . . . 57 LEU CA . 50961 1 433 . 1 . 1 57 57 LEU CB C 13 42.310 0.000 . . . . . . . 57 LEU CB . 50961 1 434 . 1 . 1 57 57 LEU N N 15 122.230 0.000 . . . . . . . 57 LEU N . 50961 1 435 . 1 . 1 58 58 HIS H H 1 8.207 0.000 . . . . . . . 58 HIS H . 50961 1 436 . 1 . 1 58 58 HIS HA H 1 4.570 0.000 . . . . . . . 58 HIS HA . 50961 1 437 . 1 . 1 58 58 HIS HB2 H 1 2.979 0.000 . . . . . . . 58 HIS HB2 . 50961 1 438 . 1 . 1 58 58 HIS HB3 H 1 3.027 0.000 . . . . . . . 58 HIS HB3 . 50961 1 439 . 1 . 1 58 58 HIS C C 13 175.130 0.000 . . . . . . . 58 HIS C . 50961 1 440 . 1 . 1 58 58 HIS CA C 13 55.940 0.000 . . . . . . . 58 HIS CA . 50961 1 441 . 1 . 1 58 58 HIS CB C 13 30.770 0.000 . . . . . . . 58 HIS CB . 50961 1 442 . 1 . 1 58 58 HIS N N 15 120.080 0.000 . . . . . . . 58 HIS N . 50961 1 443 . 1 . 1 59 59 ARG HB2 H 1 1.800 0.000 . . . . . . . 59 ARG HB2 . 50961 1 444 . 1 . 1 59 59 ARG HB3 H 1 1.900 0.000 . . . . . . . 59 ARG HB3 . 50961 1 445 . 1 . 1 59 59 ARG HG2 H 1 1.600 0.000 . . . . . . . 59 ARG HG2 . 50961 1 446 . 1 . 1 59 59 ARG HG3 H 1 1.700 0.000 . . . . . . . 59 ARG HG3 . 50961 1 447 . 1 . 1 59 59 ARG HD2 H 1 3.200 0.000 . . . . . . . 59 ARG HD2 . 50961 1 448 . 1 . 1 59 59 ARG HD3 H 1 3.300 0.000 . . . . . . . 59 ARG HD3 . 50961 1 449 . 1 . 1 60 60 HIS HB2 H 1 3.200 0.000 . . . . . . . 60 HIS HB2 . 50961 1 450 . 1 . 1 60 60 HIS HB3 H 1 3.300 0.000 . . . . . . . 60 HIS HB3 . 50961 1 451 . 1 . 1 61 61 ASN HA H 1 4.618 0.000 . . . . . . . 61 ASN HA . 50961 1 452 . 1 . 1 61 61 ASN HB2 H 1 2.647 0.000 . . . . . . . 61 ASN HB2 . 50961 1 453 . 1 . 1 61 61 ASN HB3 H 1 2.700 0.000 . . . . . . . 61 ASN HB3 . 50961 1 454 . 1 . 1 61 61 ASN C C 13 174.930 0.000 . . . . . . . 61 ASN C . 50961 1 455 . 1 . 1 61 61 ASN CA C 13 53.250 0.000 . . . . . . . 61 ASN CA . 50961 1 456 . 1 . 1 61 61 ASN CB C 13 38.860 0.000 . . . . . . . 61 ASN CB . 50961 1 457 . 1 . 1 62 62 VAL H H 1 7.993 0.000 . . . . . . . 62 VAL H . 50961 1 458 . 1 . 1 62 62 VAL HA H 1 3.982 0.000 . . . . . . . 62 VAL HA . 50961 1 459 . 1 . 1 62 62 VAL HB H 1 1.928 0.000 . . . . . . . 62 VAL HB . 50961 1 460 . 1 . 1 62 62 VAL HG11 H 1 0.760 0.000 . . . . . . . 62 VAL QG1 . 50961 1 461 . 1 . 1 62 62 VAL HG12 H 1 0.760 0.000 . . . . . . . 62 VAL QG1 . 50961 1 462 . 1 . 1 62 62 VAL HG13 H 1 0.760 0.000 . . . . . . . 62 VAL QG1 . 50961 1 463 . 1 . 1 62 62 VAL HG21 H 1 0.716 0.000 . . . . . . . 62 VAL QG2 . 50961 1 464 . 1 . 1 62 62 VAL HG22 H 1 0.716 0.000 . . . . . . . 62 VAL QG2 . 50961 1 465 . 1 . 1 62 62 VAL HG23 H 1 0.716 0.000 . . . . . . . 62 VAL QG2 . 50961 1 466 . 1 . 1 62 62 VAL C C 13 175.710 0.000 . . . . . . . 62 VAL C . 50961 1 467 . 1 . 1 62 62 VAL CA C 13 62.570 0.000 . . . . . . . 62 VAL CA . 50961 1 468 . 1 . 1 62 62 VAL CB C 13 32.610 0.000 . . . . . . . 62 VAL CB . 50961 1 469 . 1 . 1 62 62 VAL CG1 C 13 21.000 0.000 . . . . . . . 62 VAL CG1 . 50961 1 470 . 1 . 1 62 62 VAL CG2 C 13 20.400 0.000 . . . . . . . 62 VAL CG2 . 50961 1 471 . 1 . 1 62 62 VAL N N 15 120.390 0.000 . . . . . . . 62 VAL N . 50961 1 472 . 1 . 1 63 63 PHE H H 1 8.234 0.000 . . . . . . . 63 PHE H . 50961 1 473 . 1 . 1 63 63 PHE HA H 1 4.581 0.000 . . . . . . . 63 PHE HA . 50961 1 474 . 1 . 1 63 63 PHE HB2 H 1 2.942 0.000 . . . . . . . 63 PHE HB2 . 50961 1 475 . 1 . 1 63 63 PHE HB3 H 1 3.073 0.000 . . . . . . . 63 PHE HB3 . 50961 1 476 . 1 . 1 63 63 PHE HD1 H 1 7.172 0.000 . . . . . . . 63 PHE QD . 50961 1 477 . 1 . 1 63 63 PHE HD2 H 1 7.172 0.000 . . . . . . . 63 PHE QD . 50961 1 478 . 1 . 1 63 63 PHE C C 13 175.500 0.000 . . . . . . . 63 PHE C . 50961 1 479 . 1 . 1 63 63 PHE CA C 13 57.810 0.000 . . . . . . . 63 PHE CA . 50961 1 480 . 1 . 1 63 63 PHE CB C 13 39.520 0.000 . . . . . . . 63 PHE CB . 50961 1 481 . 1 . 1 63 63 PHE N N 15 123.930 0.000 . . . . . . . 63 PHE N . 50961 1 482 . 1 . 1 64 64 LYS H H 1 8.123 0.000 . . . . . . . 64 LYS H . 50961 1 483 . 1 . 1 64 64 LYS HA H 1 4.216 0.000 . . . . . . . 64 LYS HA . 50961 1 484 . 1 . 1 64 64 LYS HB2 H 1 1.652 0.000 . . . . . . . 64 LYS HB2 . 50961 1 485 . 1 . 1 64 64 LYS HB3 H 1 1.900 0.000 . . . . . . . 64 LYS HB3 . 50961 1 486 . 1 . 1 64 64 LYS HG2 H 1 1.303 0.000 . . . . . . . 64 LYS HG2 . 50961 1 487 . 1 . 1 64 64 LYS HG3 H 1 1.553 0.000 . . . . . . . 64 LYS HG3 . 50961 1 488 . 1 . 1 64 64 LYS HD3 H 1 1.742 0.000 . . . . . . . 64 LYS HD3 . 50961 1 489 . 1 . 1 64 64 LYS C C 13 176.030 0.000 . . . . . . . 64 LYS C . 50961 1 490 . 1 . 1 64 64 LYS CA C 13 56.190 0.000 . . . . . . . 64 LYS CA . 50961 1 491 . 1 . 1 64 64 LYS CB C 13 33.190 0.000 . . . . . . . 64 LYS CB . 50961 1 492 . 1 . 1 64 64 LYS N N 15 123.860 0.000 . . . . . . . 64 LYS N . 50961 1 493 . 1 . 1 65 65 ARG H H 1 8.316 0.000 . . . . . . . 65 ARG H . 50961 1 494 . 1 . 1 65 65 ARG HA H 1 4.380 0.000 . . . . . . . 65 ARG HA . 50961 1 495 . 1 . 1 65 65 ARG HB2 H 1 1.721 0.000 . . . . . . . 65 ARG HB2 . 50961 1 496 . 1 . 1 65 65 ARG HB3 H 1 1.803 0.000 . . . . . . . 65 ARG HB3 . 50961 1 497 . 1 . 1 65 65 ARG HG2 H 1 1.578 0.000 . . . . . . . 65 ARG HG2 . 50961 1 498 . 1 . 1 65 65 ARG HG3 H 1 1.625 0.000 . . . . . . . 65 ARG HG3 . 50961 1 499 . 1 . 1 65 65 ARG HD2 H 1 3.200 0.000 . . . . . . . 65 ARG HD2 . 50961 1 500 . 1 . 1 65 65 ARG HD3 H 1 3.300 0.000 . . . . . . . 65 ARG HD3 . 50961 1 501 . 1 . 1 65 65 ARG CA C 13 56.390 0.000 . . . . . . . 65 ARG CA . 50961 1 502 . 1 . 1 65 65 ARG CB C 13 30.870 0.000 . . . . . . . 65 ARG CB . 50961 1 503 . 1 . 1 65 65 ARG N N 15 123.150 0.000 . . . . . . . 65 ARG N . 50961 1 504 . 1 . 1 66 66 HIS C C 13 175.210 0.000 . . . . . . . 66 HIS C . 50961 1 505 . 1 . 1 67 67 SER H H 1 8.222 0.000 . . . . . . . 67 SER H . 50961 1 506 . 1 . 1 67 67 SER HA H 1 4.436 0.000 . . . . . . . 67 SER HA . 50961 1 507 . 1 . 1 67 67 SER HB2 H 1 3.800 0.000 . . . . . . . 67 SER HB2 . 50961 1 508 . 1 . 1 67 67 SER HB3 H 1 3.872 0.000 . . . . . . . 67 SER HB3 . 50961 1 509 . 1 . 1 67 67 SER C C 13 174.400 0.000 . . . . . . . 67 SER C . 50961 1 510 . 1 . 1 67 67 SER CA C 13 58.680 0.000 . . . . . . . 67 SER CA . 50961 1 511 . 1 . 1 67 67 SER CB C 13 63.800 0.000 . . . . . . . 67 SER CB . 50961 1 512 . 1 . 1 67 67 SER N N 15 116.290 0.000 . . . . . . . 67 SER N . 50961 1 513 . 1 . 1 68 68 MET H H 1 8.335 0.000 . . . . . . . 68 MET H . 50961 1 514 . 1 . 1 68 68 MET HA H 1 4.435 0.000 . . . . . . . 68 MET HA . 50961 1 515 . 1 . 1 68 68 MET HB2 H 1 1.966 0.000 . . . . . . . 68 MET HB2 . 50961 1 516 . 1 . 1 68 68 MET HB3 H 1 2.066 0.000 . . . . . . . 68 MET HB3 . 50961 1 517 . 1 . 1 68 68 MET HG2 H 1 2.469 0.000 . . . . . . . 68 MET HG2 . 50961 1 518 . 1 . 1 68 68 MET HG3 H 1 2.552 0.000 . . . . . . . 68 MET HG3 . 50961 1 519 . 1 . 1 68 68 MET HE1 H 1 2.014 0.000 . . . . . . . 68 MET HE# . 50961 1 520 . 1 . 1 68 68 MET HE2 H 1 2.014 0.000 . . . . . . . 68 MET HE# . 50961 1 521 . 1 . 1 68 68 MET HE3 H 1 2.014 0.000 . . . . . . . 68 MET HE# . 50961 1 522 . 1 . 1 68 68 MET C C 13 175.980 0.000 . . . . . . . 68 MET C . 50961 1 523 . 1 . 1 68 68 MET CA C 13 55.690 0.000 . . . . . . . 68 MET CA . 50961 1 524 . 1 . 1 68 68 MET CB C 13 32.990 0.000 . . . . . . . 68 MET CB . 50961 1 525 . 1 . 1 68 68 MET N N 15 122.090 0.000 . . . . . . . 68 MET N . 50961 1 526 . 1 . 1 69 69 ARG H H 1 8.356 0.000 . . . . . . . 69 ARG H . 50961 1 527 . 1 . 1 69 69 ARG HA H 1 4.329 0.000 . . . . . . . 69 ARG HA . 50961 1 528 . 1 . 1 69 69 ARG HB2 H 1 1.697 0.000 . . . . . . . 69 ARG HB2 . 50961 1 529 . 1 . 1 69 69 ARG HB3 H 1 1.870 0.000 . . . . . . . 69 ARG HB3 . 50961 1 530 . 1 . 1 69 69 ARG HG2 H 1 1.543 0.000 . . . . . . . 69 ARG HG2 . 50961 1 531 . 1 . 1 69 69 ARG HG3 H 1 1.576 0.000 . . . . . . . 69 ARG HG3 . 50961 1 532 . 1 . 1 69 69 ARG HD2 H 1 3.101 0.000 . . . . . . . 69 ARG HD2 . 50961 1 533 . 1 . 1 69 69 ARG HD3 H 1 3.145 0.000 . . . . . . . 69 ARG HD3 . 50961 1 534 . 1 . 1 69 69 ARG C C 13 176.460 0.000 . . . . . . . 69 ARG C . 50961 1 535 . 1 . 1 69 69 ARG CA C 13 55.910 0.000 . . . . . . . 69 ARG CA . 50961 1 536 . 1 . 1 69 69 ARG CB C 13 30.970 0.000 . . . . . . . 69 ARG CB . 50961 1 537 . 1 . 1 69 69 ARG N N 15 122.250 0.000 . . . . . . . 69 ARG N . 50961 1 538 . 1 . 1 70 70 GLU H H 1 8.618 0.000 . . . . . . . 70 GLU H . 50961 1 539 . 1 . 1 70 70 GLU HA H 1 4.091 0.000 . . . . . . . 70 GLU HA . 50961 1 540 . 1 . 1 70 70 GLU HB2 H 1 1.896 0.000 . . . . . . . 70 GLU HB2 . 50961 1 541 . 1 . 1 70 70 GLU HB3 H 1 1.984 0.000 . . . . . . . 70 GLU HB3 . 50961 1 542 . 1 . 1 70 70 GLU HG2 H 1 2.220 0.000 . . . . . . . 70 GLU HG2 . 50961 1 543 . 1 . 1 70 70 GLU HG3 H 1 2.245 0.000 . . . . . . . 70 GLU HG3 . 50961 1 544 . 1 . 1 70 70 GLU C C 13 177.120 0.000 . . . . . . . 70 GLU C . 50961 1 545 . 1 . 1 70 70 GLU CA C 13 57.750 0.000 . . . . . . . 70 GLU CA . 50961 1 546 . 1 . 1 70 70 GLU CB C 13 29.950 0.000 . . . . . . . 70 GLU CB . 50961 1 547 . 1 . 1 70 70 GLU N N 15 123.350 0.000 . . . . . . . 70 GLU N . 50961 1 548 . 1 . 1 71 71 GLU H H 1 8.694 0.000 . . . . . . . 71 GLU H . 50961 1 549 . 1 . 1 71 71 GLU HA H 1 4.167 0.000 . . . . . . . 71 GLU HA . 50961 1 550 . 1 . 1 71 71 GLU HB2 H 1 1.861 0.000 . . . . . . . 71 GLU HB2 . 50961 1 551 . 1 . 1 71 71 GLU HB3 H 1 1.953 0.000 . . . . . . . 71 GLU HB3 . 50961 1 552 . 1 . 1 71 71 GLU HG2 H 1 2.192 0.000 . . . . . . . 71 GLU HG2 . 50961 1 553 . 1 . 1 71 71 GLU HG3 H 1 2.222 0.000 . . . . . . . 71 GLU HG3 . 50961 1 554 . 1 . 1 71 71 GLU C C 13 176.240 0.000 . . . . . . . 71 GLU C . 50961 1 555 . 1 . 1 71 71 GLU CA C 13 57.200 0.000 . . . . . . . 71 GLU CA . 50961 1 556 . 1 . 1 71 71 GLU CB C 13 29.980 0.000 . . . . . . . 71 GLU CB . 50961 1 557 . 1 . 1 71 71 GLU N N 15 120.530 0.000 . . . . . . . 71 GLU N . 50961 1 558 . 1 . 1 72 72 ASP H H 1 8.108 0.000 . . . . . . . 72 ASP H . 50961 1 559 . 1 . 1 72 72 ASP HA H 1 4.518 0.000 . . . . . . . 72 ASP HA . 50961 1 560 . 1 . 1 72 72 ASP HB2 H 1 2.546 0.000 . . . . . . . 72 ASP HB2 . 50961 1 561 . 1 . 1 72 72 ASP HB3 H 1 2.572 0.000 . . . . . . . 72 ASP HB3 . 50961 1 562 . 1 . 1 72 72 ASP C C 13 175.820 0.000 . . . . . . . 72 ASP C . 50961 1 563 . 1 . 1 72 72 ASP CA C 13 54.660 0.000 . . . . . . . 72 ASP CA . 50961 1 564 . 1 . 1 72 72 ASP CB C 13 41.160 0.000 . . . . . . . 72 ASP CB . 50961 1 565 . 1 . 1 72 72 ASP N N 15 120.690 0.000 . . . . . . . 72 ASP N . 50961 1 566 . 1 . 1 73 73 PHE H H 1 7.934 0.000 . . . . . . . 73 PHE H . 50961 1 567 . 1 . 1 73 73 PHE HA H 1 4.550 0.000 . . . . . . . 73 PHE HA . 50961 1 568 . 1 . 1 73 73 PHE HB2 H 1 2.956 0.000 . . . . . . . 73 PHE HB2 . 50961 1 569 . 1 . 1 73 73 PHE HB3 H 1 3.089 0.000 . . . . . . . 73 PHE HB3 . 50961 1 570 . 1 . 1 73 73 PHE HD1 H 1 7.180 0.000 . . . . . . . 73 PHE QD . 50961 1 571 . 1 . 1 73 73 PHE HD2 H 1 7.180 0.000 . . . . . . . 73 PHE QD . 50961 1 572 . 1 . 1 73 73 PHE C C 13 175.160 0.000 . . . . . . . 73 PHE C . 50961 1 573 . 1 . 1 73 73 PHE CA C 13 57.780 0.000 . . . . . . . 73 PHE CA . 50961 1 574 . 1 . 1 73 73 PHE CB C 13 39.590 0.000 . . . . . . . 73 PHE CB . 50961 1 575 . 1 . 1 73 73 PHE N N 15 120.390 0.000 . . . . . . . 73 PHE N . 50961 1 576 . 1 . 1 74 74 ILE H H 1 7.910 0.000 . . . . . . . 74 ILE H . 50961 1 577 . 1 . 1 74 74 ILE HA H 1 4.033 0.000 . . . . . . . 74 ILE HA . 50961 1 578 . 1 . 1 74 74 ILE HB H 1 1.699 0.000 . . . . . . . 74 ILE HB . 50961 1 579 . 1 . 1 74 74 ILE HG12 H 1 1.081 0.000 . . . . . . . 74 ILE HG12 . 50961 1 580 . 1 . 1 74 74 ILE HG13 H 1 1.392 0.000 . . . . . . . 74 ILE HG13 . 50961 1 581 . 1 . 1 74 74 ILE HG21 H 1 0.777 0.000 . . . . . . . 74 ILE QG2 . 50961 1 582 . 1 . 1 74 74 ILE HG22 H 1 0.777 0.000 . . . . . . . 74 ILE QG2 . 50961 1 583 . 1 . 1 74 74 ILE HG23 H 1 0.777 0.000 . . . . . . . 74 ILE QG2 . 50961 1 584 . 1 . 1 74 74 ILE HD11 H 1 0.770 0.000 . . . . . . . 74 ILE QD1 . 50961 1 585 . 1 . 1 74 74 ILE HD12 H 1 0.770 0.000 . . . . . . . 74 ILE QD1 . 50961 1 586 . 1 . 1 74 74 ILE HD13 H 1 0.770 0.000 . . . . . . . 74 ILE QD1 . 50961 1 587 . 1 . 1 74 74 ILE C C 13 175.450 0.000 . . . . . . . 74 ILE C . 50961 1 588 . 1 . 1 74 74 ILE CA C 13 60.660 0.000 . . . . . . . 74 ILE CA . 50961 1 589 . 1 . 1 74 74 ILE CB C 13 38.590 0.000 . . . . . . . 74 ILE CB . 50961 1 590 . 1 . 1 74 74 ILE CG1 C 13 27.300 0.000 . . . . . . . 74 ILE CG1 . 50961 1 591 . 1 . 1 74 74 ILE CG2 C 13 17.390 0.000 . . . . . . . 74 ILE CG2 . 50961 1 592 . 1 . 1 74 74 ILE CD1 C 13 12.740 0.000 . . . . . . . 74 ILE CD1 . 50961 1 593 . 1 . 1 74 74 ILE N N 15 124.010 0.000 . . . . . . . 74 ILE N . 50961 1 594 . 1 . 1 75 75 GLN H H 1 8.401 0.000 . . . . . . . 75 GLN H . 50961 1 595 . 1 . 1 75 75 GLN HA H 1 4.469 0.000 . . . . . . . 75 GLN HA . 50961 1 596 . 1 . 1 75 75 GLN HB2 H 1 1.905 0.000 . . . . . . . 75 GLN HB2 . 50961 1 597 . 1 . 1 75 75 GLN HB3 H 1 2.043 0.000 . . . . . . . 75 GLN HB3 . 50961 1 598 . 1 . 1 75 75 GLN HG2 H 1 2.339 0.000 . . . . . . . 75 GLN HG2 . 50961 1 599 . 1 . 1 75 75 GLN HG3 H 1 2.385 0.000 . . . . . . . 75 GLN HG3 . 50961 1 600 . 1 . 1 75 75 GLN C C 13 174.070 0.000 . . . . . . . 75 GLN C . 50961 1 601 . 1 . 1 75 75 GLN CA C 13 53.670 0.000 . . . . . . . 75 GLN CA . 50961 1 602 . 1 . 1 75 75 GLN CB C 13 28.790 0.000 . . . . . . . 75 GLN CB . 50961 1 603 . 1 . 1 75 75 GLN N N 15 126.380 0.000 . . . . . . . 75 GLN N . 50961 1 604 . 1 . 1 76 76 PRO HD2 H 1 3.684 0.000 . . . . . . . 76 PRO HD2 . 50961 1 605 . 1 . 1 76 76 PRO HD3 H 1 3.811 0.000 . . . . . . . 76 PRO HD3 . 50961 1 606 . 1 . 1 76 76 PRO CA C 13 62.680 0.000 . . . . . . . 76 PRO CA . 50961 1 607 . 1 . 1 76 76 PRO CB C 13 34.020 0.000 . . . . . . . 76 PRO CB . 50961 1 608 . 1 . 1 77 77 SER CA C 13 56.620 0.000 . . . . . . . 77 SER CA . 50961 1 609 . 1 . 1 77 77 SER CB C 13 63.370 0.000 . . . . . . . 77 SER CB . 50961 1 610 . 1 . 1 81 81 GLU HA H 1 4.124 0.000 . . . . . . . 81 GLU HA . 50961 1 611 . 1 . 1 81 81 GLU HB2 H 1 1.982 0.000 . . . . . . . 81 GLU HB2 . 50961 1 612 . 1 . 1 81 81 GLU HB3 H 1 2.056 0.000 . . . . . . . 81 GLU HB3 . 50961 1 613 . 1 . 1 81 81 GLU HG2 H 1 2.236 0.000 . . . . . . . 81 GLU HG2 . 50961 1 614 . 1 . 1 81 81 GLU HG3 H 1 2.284 0.000 . . . . . . . 81 GLU HG3 . 50961 1 615 . 1 . 1 81 81 GLU C C 13 177.670 0.000 . . . . . . . 81 GLU C . 50961 1 616 . 1 . 1 81 81 GLU CA C 13 58.040 0.000 . . . . . . . 81 GLU CA . 50961 1 617 . 1 . 1 81 81 GLU CB C 13 29.900 0.000 . . . . . . . 81 GLU CB . 50961 1 618 . 1 . 1 82 82 ALA H H 1 8.161 0.000 . . . . . . . 82 ALA H . 50961 1 619 . 1 . 1 82 82 ALA HA H 1 4.118 0.000 . . . . . . . 82 ALA HA . 50961 1 620 . 1 . 1 82 82 ALA HB1 H 1 1.393 0.000 . . . . . . . 82 ALA HB# . 50961 1 621 . 1 . 1 82 82 ALA HB2 H 1 1.393 0.000 . . . . . . . 82 ALA HB# . 50961 1 622 . 1 . 1 82 82 ALA HB3 H 1 1.393 0.000 . . . . . . . 82 ALA HB# . 50961 1 623 . 1 . 1 82 82 ALA C C 13 179.090 0.000 . . . . . . . 82 ALA C . 50961 1 624 . 1 . 1 82 82 ALA CA C 13 54.150 0.000 . . . . . . . 82 ALA CA . 50961 1 625 . 1 . 1 82 82 ALA CB C 13 18.550 0.000 . . . . . . . 82 ALA CB . 50961 1 626 . 1 . 1 82 82 ALA N N 15 123.530 0.000 . . . . . . . 82 ALA N . 50961 1 627 . 1 . 1 83 83 GLN H H 1 8.187 0.000 . . . . . . . 83 GLN H . 50961 1 628 . 1 . 1 83 83 GLN HA H 1 4.124 0.000 . . . . . . . 83 GLN HA . 50961 1 629 . 1 . 1 83 83 GLN HB2 H 1 2.000 0.000 . . . . . . . 83 GLN HB2 . 50961 1 630 . 1 . 1 83 83 GLN HB3 H 1 2.100 0.000 . . . . . . . 83 GLN HB3 . 50961 1 631 . 1 . 1 83 83 GLN HG2 H 1 2.300 0.000 . . . . . . . 83 GLN HG2 . 50961 1 632 . 1 . 1 83 83 GLN HG3 H 1 2.400 0.000 . . . . . . . 83 GLN HG3 . 50961 1 633 . 1 . 1 83 83 GLN C C 13 177.380 0.000 . . . . . . . 83 GLN C . 50961 1 634 . 1 . 1 83 83 GLN CA C 13 57.700 0.000 . . . . . . . 83 GLN CA . 50961 1 635 . 1 . 1 83 83 GLN CB C 13 28.680 0.000 . . . . . . . 83 GLN CB . 50961 1 636 . 1 . 1 83 83 GLN N N 15 119.120 0.000 . . . . . . . 83 GLN N . 50961 1 637 . 1 . 1 84 84 GLN H H 1 8.123 0.000 . . . . . . . 84 GLN H . 50961 1 638 . 1 . 1 84 84 GLN HA H 1 4.137 0.000 . . . . . . . 84 GLN HA . 50961 1 639 . 1 . 1 84 84 GLN HB2 H 1 2.000 0.000 . . . . . . . 84 GLN HB2 . 50961 1 640 . 1 . 1 84 84 GLN HB3 H 1 2.100 0.000 . . . . . . . 84 GLN HB3 . 50961 1 641 . 1 . 1 84 84 GLN HG2 H 1 2.300 0.000 . . . . . . . 84 GLN HG2 . 50961 1 642 . 1 . 1 84 84 GLN HG3 H 1 2.400 0.000 . . . . . . . 84 GLN HG3 . 50961 1 643 . 1 . 1 84 84 GLN C C 13 177.990 0.000 . . . . . . . 84 GLN C . 50961 1 644 . 1 . 1 84 84 GLN CA C 13 57.620 0.000 . . . . . . . 84 GLN CA . 50961 1 645 . 1 . 1 84 84 GLN CB C 13 28.520 0.000 . . . . . . . 84 GLN CB . 50961 1 646 . 1 . 1 84 84 GLN N N 15 120.200 0.000 . . . . . . . 84 GLN N . 50961 1 647 . 1 . 1 85 85 LEU H H 1 8.122 0.000 . . . . . . . 85 LEU H . 50961 1 648 . 1 . 1 85 85 LEU HA H 1 4.181 0.000 . . . . . . . 85 LEU HA . 50961 1 649 . 1 . 1 85 85 LEU HB2 H 1 1.541 0.000 . . . . . . . 85 LEU HB2 . 50961 1 650 . 1 . 1 85 85 LEU HB3 H 1 1.681 0.000 . . . . . . . 85 LEU HB3 . 50961 1 651 . 1 . 1 85 85 LEU HG H 1 1.480 0.000 . . . . . . . 85 LEU HG . 50961 1 652 . 1 . 1 85 85 LEU HD11 H 1 0.865 0.000 . . . . . . . 85 LEU QD1 . 50961 1 653 . 1 . 1 85 85 LEU HD12 H 1 0.865 0.000 . . . . . . . 85 LEU QD1 . 50961 1 654 . 1 . 1 85 85 LEU HD13 H 1 0.865 0.000 . . . . . . . 85 LEU QD1 . 50961 1 655 . 1 . 1 85 85 LEU HD21 H 1 0.825 0.000 . . . . . . . 85 LEU QD2 . 50961 1 656 . 1 . 1 85 85 LEU HD22 H 1 0.825 0.000 . . . . . . . 85 LEU QD2 . 50961 1 657 . 1 . 1 85 85 LEU HD23 H 1 0.825 0.000 . . . . . . . 85 LEU QD2 . 50961 1 658 . 1 . 1 85 85 LEU C C 13 178.500 0.000 . . . . . . . 85 LEU C . 50961 1 659 . 1 . 1 85 85 LEU CA C 13 56.990 0.000 . . . . . . . 85 LEU CA . 50961 1 660 . 1 . 1 85 85 LEU CB C 13 41.810 0.000 . . . . . . . 85 LEU CB . 50961 1 661 . 1 . 1 85 85 LEU N N 15 122.240 0.000 . . . . . . . 85 LEU N . 50961 1 662 . 1 . 1 86 86 TRP H H 1 8.077 0.000 . . . . . . . 86 TRP H . 50961 1 663 . 1 . 1 86 86 TRP HA H 1 4.572 0.000 . . . . . . . 86 TRP HA . 50961 1 664 . 1 . 1 86 86 TRP HB2 H 1 3.289 0.000 . . . . . . . 86 TRP HB2 . 50961 1 665 . 1 . 1 86 86 TRP HB3 H 1 3.369 0.000 . . . . . . . 86 TRP HB3 . 50961 1 666 . 1 . 1 86 86 TRP HD1 H 1 7.219 0.000 . . . . . . . 86 TRP HD1 . 50961 1 667 . 1 . 1 86 86 TRP HE1 H 1 10.110 0.000 . . . . . . . 86 TRP HE1 . 50961 1 668 . 1 . 1 86 86 TRP HZ2 H 1 7.416 0.000 . . . . . . . 86 TRP HZ2 . 50961 1 669 . 1 . 1 86 86 TRP C C 13 177.690 0.000 . . . . . . . 86 TRP C . 50961 1 670 . 1 . 1 86 86 TRP CA C 13 58.900 0.000 . . . . . . . 86 TRP CA . 50961 1 671 . 1 . 1 86 86 TRP CB C 13 29.250 0.000 . . . . . . . 86 TRP CB . 50961 1 672 . 1 . 1 86 86 TRP N N 15 121.540 0.000 . . . . . . . 86 TRP N . 50961 1 673 . 1 . 1 86 86 TRP NE1 N 15 129.600 0.000 . . . . . . . 86 TRP NE1 . 50961 1 674 . 1 . 1 87 87 GLU H H 1 8.259 0.000 . . . . . . . 87 GLU H . 50961 1 675 . 1 . 1 87 87 GLU HA H 1 3.928 0.000 . . . . . . . 87 GLU HA . 50961 1 676 . 1 . 1 87 87 GLU HB2 H 1 1.979 0.000 . . . . . . . 87 GLU HB2 . 50961 1 677 . 1 . 1 87 87 GLU HB3 H 1 2.038 0.000 . . . . . . . 87 GLU HB3 . 50961 1 678 . 1 . 1 87 87 GLU HG2 H 1 2.273 0.000 . . . . . . . 87 GLU HG2 . 50961 1 679 . 1 . 1 87 87 GLU HG3 H 1 2.308 0.000 . . . . . . . 87 GLU HG3 . 50961 1 680 . 1 . 1 87 87 GLU C C 13 178.020 0.000 . . . . . . . 87 GLU C . 50961 1 681 . 1 . 1 87 87 GLU CA C 13 58.330 0.000 . . . . . . . 87 GLU CA . 50961 1 682 . 1 . 1 87 87 GLU CB C 13 29.530 0.000 . . . . . . . 87 GLU CB . 50961 1 683 . 1 . 1 87 87 GLU N N 15 120.530 0.000 . . . . . . . 87 GLU N . 50961 1 684 . 1 . 1 88 88 ALA H H 1 7.991 0.000 . . . . . . . 88 ALA H . 50961 1 685 . 1 . 1 88 88 ALA HA H 1 4.094 0.000 . . . . . . . 88 ALA HA . 50961 1 686 . 1 . 1 88 88 ALA HB1 H 1 1.456 0.000 . . . . . . . 88 ALA HB# . 50961 1 687 . 1 . 1 88 88 ALA HB2 H 1 1.456 0.000 . . . . . . . 88 ALA HB# . 50961 1 688 . 1 . 1 88 88 ALA HB3 H 1 1.456 0.000 . . . . . . . 88 ALA HB# . 50961 1 689 . 1 . 1 88 88 ALA C C 13 179.920 0.000 . . . . . . . 88 ALA C . 50961 1 690 . 1 . 1 88 88 ALA CA C 13 54.400 0.000 . . . . . . . 88 ALA CA . 50961 1 691 . 1 . 1 88 88 ALA CB C 13 18.420 0.000 . . . . . . . 88 ALA CB . 50961 1 692 . 1 . 1 88 88 ALA N N 15 122.680 0.000 . . . . . . . 88 ALA N . 50961 1 693 . 1 . 1 89 89 GLU H H 1 8.153 0.000 . . . . . . . 89 GLU H . 50961 1 694 . 1 . 1 89 89 GLU HA H 1 4.058 0.000 . . . . . . . 89 GLU HA . 50961 1 695 . 1 . 1 89 89 GLU HB2 H 1 2.016 0.000 . . . . . . . 89 GLU HB2 . 50961 1 696 . 1 . 1 89 89 GLU HB3 H 1 2.075 0.000 . . . . . . . 89 GLU HB3 . 50961 1 697 . 1 . 1 89 89 GLU HG2 H 1 2.277 0.000 . . . . . . . 89 GLU HG2 . 50961 1 698 . 1 . 1 89 89 GLU HG3 H 1 2.321 0.000 . . . . . . . 89 GLU HG3 . 50961 1 699 . 1 . 1 89 89 GLU C C 13 178.100 0.000 . . . . . . . 89 GLU C . 50961 1 700 . 1 . 1 89 89 GLU CA C 13 58.290 0.000 . . . . . . . 89 GLU CA . 50961 1 701 . 1 . 1 89 89 GLU CB C 13 29.580 0.000 . . . . . . . 89 GLU CB . 50961 1 702 . 1 . 1 89 89 GLU N N 15 119.750 0.000 . . . . . . . 89 GLU N . 50961 1 703 . 1 . 1 90 90 LYS H H 1 7.914 0.000 . . . . . . . 90 LYS H . 50961 1 704 . 1 . 1 90 90 LYS HA H 1 3.920 0.000 . . . . . . . 90 LYS HA . 50961 1 705 . 1 . 1 90 90 LYS HB2 H 1 1.639 0.000 . . . . . . . 90 LYS HB2 . 50961 1 706 . 1 . 1 90 90 LYS HB3 H 1 1.669 0.000 . . . . . . . 90 LYS HB3 . 50961 1 707 . 1 . 1 90 90 LYS HG2 H 1 1.146 0.000 . . . . . . . 90 LYS HG2 . 50961 1 708 . 1 . 1 90 90 LYS HG3 H 1 1.180 0.000 . . . . . . . 90 LYS HG3 . 50961 1 709 . 1 . 1 90 90 LYS HD3 H 1 1.465 0.000 . . . . . . . 90 LYS HD3 . 50961 1 710 . 1 . 1 90 90 LYS C C 13 178.610 0.000 . . . . . . . 90 LYS C . 50961 1 711 . 1 . 1 90 90 LYS CA C 13 58.710 0.000 . . . . . . . 90 LYS CA . 50961 1 712 . 1 . 1 90 90 LYS CB C 13 32.120 0.000 . . . . . . . 90 LYS CB . 50961 1 713 . 1 . 1 90 90 LYS N N 15 120.860 0.000 . . . . . . . 90 LYS N . 50961 1 714 . 1 . 1 91 91 VAL H H 1 7.735 0.000 . . . . . . . 91 VAL H . 50961 1 715 . 1 . 1 91 91 VAL HA H 1 3.725 0.000 . . . . . . . 91 VAL HA . 50961 1 716 . 1 . 1 91 91 VAL HB H 1 2.080 0.000 . . . . . . . 91 VAL HB . 50961 1 717 . 1 . 1 91 91 VAL HG11 H 1 0.982 0.000 . . . . . . . 91 VAL QG1 . 50961 1 718 . 1 . 1 91 91 VAL HG12 H 1 0.982 0.000 . . . . . . . 91 VAL QG1 . 50961 1 719 . 1 . 1 91 91 VAL HG13 H 1 0.982 0.000 . . . . . . . 91 VAL QG1 . 50961 1 720 . 1 . 1 91 91 VAL HG21 H 1 0.884 0.000 . . . . . . . 91 VAL QG2 . 50961 1 721 . 1 . 1 91 91 VAL HG22 H 1 0.884 0.000 . . . . . . . 91 VAL QG2 . 50961 1 722 . 1 . 1 91 91 VAL HG23 H 1 0.884 0.000 . . . . . . . 91 VAL QG2 . 50961 1 723 . 1 . 1 91 91 VAL C C 13 177.660 0.000 . . . . . . . 91 VAL C . 50961 1 724 . 1 . 1 91 91 VAL CA C 13 65.080 0.000 . . . . . . . 91 VAL CA . 50961 1 725 . 1 . 1 91 91 VAL CG1 C 13 21.700 0.000 . . . . . . . 91 VAL CG1 . 50961 1 726 . 1 . 1 91 91 VAL CG2 C 13 21.100 0.000 . . . . . . . 91 VAL CG2 . 50961 1 727 . 1 . 1 91 91 VAL N N 15 119.880 0.000 . . . . . . . 91 VAL N . 50961 1 728 . 1 . 1 92 92 LYS H H 1 7.814 0.000 . . . . . . . 92 LYS H . 50961 1 729 . 1 . 1 92 92 LYS HA H 1 4.092 0.000 . . . . . . . 92 LYS HA . 50961 1 730 . 1 . 1 92 92 LYS HB2 H 1 1.808 0.000 . . . . . . . 92 LYS HB2 . 50961 1 731 . 1 . 1 92 92 LYS HB3 H 1 1.854 0.000 . . . . . . . 92 LYS HB3 . 50961 1 732 . 1 . 1 92 92 LYS HG2 H 1 1.356 0.000 . . . . . . . 92 LYS HG2 . 50961 1 733 . 1 . 1 92 92 LYS HG3 H 1 1.490 0.000 . . . . . . . 92 LYS HG3 . 50961 1 734 . 1 . 1 92 92 LYS HD3 H 1 1.638 0.000 . . . . . . . 92 LYS HD3 . 50961 1 735 . 1 . 1 92 92 LYS C C 13 178.200 0.000 . . . . . . . 92 LYS C . 50961 1 736 . 1 . 1 92 92 LYS CA C 13 58.300 0.000 . . . . . . . 92 LYS CA . 50961 1 737 . 1 . 1 92 92 LYS CB C 13 32.610 0.000 . . . . . . . 92 LYS CB . 50961 1 738 . 1 . 1 92 92 LYS N N 15 122.210 0.000 . . . . . . . 92 LYS N . 50961 1 739 . 1 . 1 93 93 MET H H 1 8.134 0.000 . . . . . . . 93 MET H . 50961 1 740 . 1 . 1 93 93 MET HA H 1 4.269 0.000 . . . . . . . 93 MET HA . 50961 1 741 . 1 . 1 93 93 MET HB2 H 1 1.842 0.000 . . . . . . . 93 MET HB2 . 50961 1 742 . 1 . 1 93 93 MET HB3 H 1 2.055 0.000 . . . . . . . 93 MET HB3 . 50961 1 743 . 1 . 1 93 93 MET HG2 H 1 2.535 0.000 . . . . . . . 93 MET HG2 . 50961 1 744 . 1 . 1 93 93 MET HG3 H 1 2.616 0.000 . . . . . . . 93 MET HG3 . 50961 1 745 . 1 . 1 93 93 MET HE1 H 1 2.008 0.000 . . . . . . . 93 MET HE# . 50961 1 746 . 1 . 1 93 93 MET HE2 H 1 2.008 0.000 . . . . . . . 93 MET HE# . 50961 1 747 . 1 . 1 93 93 MET HE3 H 1 2.008 0.000 . . . . . . . 93 MET HE# . 50961 1 748 . 1 . 1 93 93 MET C C 13 177.390 0.000 . . . . . . . 93 MET C . 50961 1 749 . 1 . 1 93 93 MET CA C 13 56.960 0.000 . . . . . . . 93 MET CA . 50961 1 750 . 1 . 1 93 93 MET CB C 13 32.620 0.000 . . . . . . . 93 MET CB . 50961 1 751 . 1 . 1 93 93 MET N N 15 119.000 0.000 . . . . . . . 93 MET N . 50961 1 752 . 1 . 1 94 94 ARG H H 1 8.008 0.000 . . . . . . . 94 ARG H . 50961 1 753 . 1 . 1 94 94 ARG HA H 1 4.144 0.000 . . . . . . . 94 ARG HA . 50961 1 754 . 1 . 1 94 94 ARG HB2 H 1 1.816 0.000 . . . . . . . 94 ARG HB2 . 50961 1 755 . 1 . 1 94 94 ARG HB3 H 1 1.875 0.000 . . . . . . . 94 ARG HB3 . 50961 1 756 . 1 . 1 94 94 ARG HG2 H 1 1.629 0.000 . . . . . . . 94 ARG HG2 . 50961 1 757 . 1 . 1 94 94 ARG HG3 H 1 1.684 0.000 . . . . . . . 94 ARG HG3 . 50961 1 758 . 1 . 1 94 94 ARG HD2 H 1 3.127 0.000 . . . . . . . 94 ARG HD2 . 50961 1 759 . 1 . 1 94 94 ARG HD3 H 1 3.187 0.000 . . . . . . . 94 ARG HD3 . 50961 1 760 . 1 . 1 94 94 ARG C C 13 177.200 0.000 . . . . . . . 94 ARG C . 50961 1 761 . 1 . 1 94 94 ARG CA C 13 57.800 0.000 . . . . . . . 94 ARG CA . 50961 1 762 . 1 . 1 94 94 ARG CB C 13 30.240 0.000 . . . . . . . 94 ARG CB . 50961 1 763 . 1 . 1 94 94 ARG N N 15 120.870 0.000 . . . . . . . 94 ARG N . 50961 1 764 . 1 . 1 95 95 GLN H H 1 8.077 0.000 . . . . . . . 95 GLN H . 50961 1 765 . 1 . 1 95 95 GLN HA H 1 4.202 0.000 . . . . . . . 95 GLN HA . 50961 1 766 . 1 . 1 95 95 GLN HB2 H 1 1.882 0.000 . . . . . . . 95 GLN HB2 . 50961 1 767 . 1 . 1 95 95 GLN HB3 H 1 2.084 0.000 . . . . . . . 95 GLN HB3 . 50961 1 768 . 1 . 1 95 95 GLN HG2 H 1 2.338 0.000 . . . . . . . 95 GLN HG2 . 50961 1 769 . 1 . 1 95 95 GLN HG3 H 1 2.466 0.000 . . . . . . . 95 GLN HG3 . 50961 1 770 . 1 . 1 95 95 GLN C C 13 177.400 0.000 . . . . . . . 95 GLN C . 50961 1 771 . 1 . 1 95 95 GLN CA C 13 57.400 0.000 . . . . . . . 95 GLN CA . 50961 1 772 . 1 . 1 95 95 GLN CB C 13 28.940 0.000 . . . . . . . 95 GLN CB . 50961 1 773 . 1 . 1 95 95 GLN N N 15 119.890 0.000 . . . . . . . 95 GLN N . 50961 1 774 . 1 . 1 96 96 ILE H H 1 7.953 0.000 . . . . . . . 96 ILE H . 50961 1 775 . 1 . 1 96 96 ILE HA H 1 3.925 0.000 . . . . . . . 96 ILE HA . 50961 1 776 . 1 . 1 96 96 ILE HB H 1 1.900 0.000 . . . . . . . 96 ILE HB . 50961 1 777 . 1 . 1 96 96 ILE HG12 H 1 1.147 0.000 . . . . . . . 96 ILE HG12 . 50961 1 778 . 1 . 1 96 96 ILE HG13 H 1 1.565 0.000 . . . . . . . 96 ILE HG13 . 50961 1 779 . 1 . 1 96 96 ILE HG21 H 1 0.868 0.000 . . . . . . . 96 ILE QG2 . 50961 1 780 . 1 . 1 96 96 ILE HG22 H 1 0.868 0.000 . . . . . . . 96 ILE QG2 . 50961 1 781 . 1 . 1 96 96 ILE HG23 H 1 0.868 0.000 . . . . . . . 96 ILE QG2 . 50961 1 782 . 1 . 1 96 96 ILE HD11 H 1 0.822 0.000 . . . . . . . 96 ILE QD1 . 50961 1 783 . 1 . 1 96 96 ILE HD12 H 1 0.822 0.000 . . . . . . . 96 ILE QD1 . 50961 1 784 . 1 . 1 96 96 ILE HD13 H 1 0.822 0.000 . . . . . . . 96 ILE QD1 . 50961 1 785 . 1 . 1 96 96 ILE C C 13 177.300 0.000 . . . . . . . 96 ILE C . 50961 1 786 . 1 . 1 96 96 ILE CA C 13 62.930 0.000 . . . . . . . 96 ILE CA . 50961 1 787 . 1 . 1 96 96 ILE CB C 13 38.320 0.000 . . . . . . . 96 ILE CB . 50961 1 788 . 1 . 1 96 96 ILE CG1 C 13 28.100 0.000 . . . . . . . 96 ILE CG1 . 50961 1 789 . 1 . 1 96 96 ILE CG2 C 13 17.400 0.000 . . . . . . . 96 ILE CG2 . 50961 1 790 . 1 . 1 96 96 ILE CD1 C 13 13.140 0.000 . . . . . . . 96 ILE CD1 . 50961 1 791 . 1 . 1 96 96 ILE N N 15 121.620 0.000 . . . . . . . 96 ILE N . 50961 1 792 . 1 . 1 97 97 LEU H H 1 8.128 0.000 . . . . . . . 97 LEU H . 50961 1 793 . 1 . 1 97 97 LEU HA H 1 4.209 0.000 . . . . . . . 97 LEU HA . 50961 1 794 . 1 . 1 97 97 LEU HB2 H 1 1.551 0.000 . . . . . . . 97 LEU HB2 . 50961 1 795 . 1 . 1 97 97 LEU HB3 H 1 1.666 0.000 . . . . . . . 97 LEU HB3 . 50961 1 796 . 1 . 1 97 97 LEU HG H 1 1.398 0.000 . . . . . . . 97 LEU HG . 50961 1 797 . 1 . 1 97 97 LEU HD11 H 1 0.868 0.000 . . . . . . . 97 LEU QD1 . 50961 1 798 . 1 . 1 97 97 LEU HD12 H 1 0.868 0.000 . . . . . . . 97 LEU QD1 . 50961 1 799 . 1 . 1 97 97 LEU HD13 H 1 0.868 0.000 . . . . . . . 97 LEU QD1 . 50961 1 800 . 1 . 1 97 97 LEU HD21 H 1 0.835 0.000 . . . . . . . 97 LEU QD2 . 50961 1 801 . 1 . 1 97 97 LEU HD22 H 1 0.835 0.000 . . . . . . . 97 LEU QD2 . 50961 1 802 . 1 . 1 97 97 LEU HD23 H 1 0.835 0.000 . . . . . . . 97 LEU QD2 . 50961 1 803 . 1 . 1 97 97 LEU C C 13 178.200 0.000 . . . . . . . 97 LEU C . 50961 1 804 . 1 . 1 97 97 LEU CA C 13 56.350 0.000 . . . . . . . 97 LEU CA . 50961 1 805 . 1 . 1 97 97 LEU CB C 13 42.080 0.000 . . . . . . . 97 LEU CB . 50961 1 806 . 1 . 1 97 97 LEU N N 15 124.140 0.000 . . . . . . . 97 LEU N . 50961 1 807 . 1 . 1 98 98 ASP H H 1 8.298 0.000 . . . . . . . 98 ASP H . 50961 1 808 . 1 . 1 98 98 ASP HA H 1 4.483 0.000 . . . . . . . 98 ASP HA . 50961 1 809 . 1 . 1 98 98 ASP HB2 H 1 2.664 0.000 . . . . . . . 98 ASP HB2 . 50961 1 810 . 1 . 1 98 98 ASP HB3 H 1 2.703 0.000 . . . . . . . 98 ASP HB3 . 50961 1 811 . 1 . 1 98 98 ASP C C 13 177.350 0.000 . . . . . . . 98 ASP C . 50961 1 812 . 1 . 1 98 98 ASP CA C 13 55.540 0.000 . . . . . . . 98 ASP CA . 50961 1 813 . 1 . 1 98 98 ASP CB C 13 41.070 0.000 . . . . . . . 98 ASP CB . 50961 1 814 . 1 . 1 98 98 ASP N N 15 121.020 0.000 . . . . . . . 98 ASP N . 50961 1 815 . 1 . 1 99 99 LYS H H 1 8.000 0.000 . . . . . . . 99 LYS H . 50961 1 816 . 1 . 1 99 99 LYS HA H 1 4.153 0.000 . . . . . . . 99 LYS HA . 50961 1 817 . 1 . 1 99 99 LYS HB2 H 1 1.846 0.000 . . . . . . . 99 LYS HB2 . 50961 1 818 . 1 . 1 99 99 LYS HB3 H 1 1.922 0.000 . . . . . . . 99 LYS HB3 . 50961 1 819 . 1 . 1 99 99 LYS HG2 H 1 1.428 0.000 . . . . . . . 99 LYS HG2 . 50961 1 820 . 1 . 1 99 99 LYS HG3 H 1 1.484 0.000 . . . . . . . 99 LYS HG3 . 50961 1 821 . 1 . 1 99 99 LYS HD3 H 1 1.654 0.000 . . . . . . . 99 LYS HD3 . 50961 1 822 . 1 . 1 99 99 LYS C C 13 177.620 0.000 . . . . . . . 99 LYS C . 50961 1 823 . 1 . 1 99 99 LYS CA C 13 57.760 0.000 . . . . . . . 99 LYS CA . 50961 1 824 . 1 . 1 99 99 LYS CB C 13 32.650 0.000 . . . . . . . 99 LYS CB . 50961 1 825 . 1 . 1 99 99 LYS N N 15 120.530 0.000 . . . . . . . 99 LYS N . 50961 1 826 . 1 . 1 100 100 GLN H H 1 8.180 0.000 . . . . . . . 100 GLN H . 50961 1 827 . 1 . 1 100 100 GLN HA H 1 4.190 0.000 . . . . . . . 100 GLN HA . 50961 1 828 . 1 . 1 100 100 GLN HB2 H 1 2.040 0.000 . . . . . . . 100 GLN HB2 . 50961 1 829 . 1 . 1 100 100 GLN HB3 H 1 2.118 0.000 . . . . . . . 100 GLN HB3 . 50961 1 830 . 1 . 1 100 100 GLN HG2 H 1 2.337 0.000 . . . . . . . 100 GLN HG2 . 50961 1 831 . 1 . 1 100 100 GLN HG3 H 1 2.410 0.000 . . . . . . . 100 GLN HG3 . 50961 1 832 . 1 . 1 100 100 GLN C C 13 176.880 0.000 . . . . . . . 100 GLN C . 50961 1 833 . 1 . 1 100 100 GLN CA C 13 56.960 0.000 . . . . . . . 100 GLN CA . 50961 1 834 . 1 . 1 100 100 GLN CB C 13 28.960 0.000 . . . . . . . 100 GLN CB . 50961 1 835 . 1 . 1 100 100 GLN N N 15 119.900 0.000 . . . . . . . 100 GLN N . 50961 1 836 . 1 . 1 101 101 GLN H H 1 8.243 0.000 . . . . . . . 101 GLN H . 50961 1 837 . 1 . 1 101 101 GLN HA H 1 4.487 0.000 . . . . . . . 101 GLN HA . 50961 1 838 . 1 . 1 101 101 GLN HB2 H 1 2.000 0.000 . . . . . . . 101 GLN HB2 . 50961 1 839 . 1 . 1 101 101 GLN HB3 H 1 2.100 0.000 . . . . . . . 101 GLN HB3 . 50961 1 840 . 1 . 1 101 101 GLN HG2 H 1 2.300 0.000 . . . . . . . 101 GLN HG2 . 50961 1 841 . 1 . 1 101 101 GLN HG3 H 1 2.400 0.000 . . . . . . . 101 GLN HG3 . 50961 1 842 . 1 . 1 101 101 GLN C C 13 176.120 0.000 . . . . . . . 101 GLN C . 50961 1 843 . 1 . 1 101 101 GLN CA C 13 56.330 0.000 . . . . . . . 101 GLN CA . 50961 1 844 . 1 . 1 101 101 GLN CB C 13 29.470 0.000 . . . . . . . 101 GLN CB . 50961 1 845 . 1 . 1 101 101 GLN N N 15 120.670 0.000 . . . . . . . 101 GLN N . 50961 1 846 . 1 . 1 102 102 LYS C C 13 176.880 0.000 . . . . . . . 102 LYS C . 50961 1 847 . 1 . 1 102 102 LYS CA C 13 57.090 0.000 . . . . . . . 102 LYS CA . 50961 1 848 . 1 . 1 102 102 LYS CB C 13 32.960 0.000 . . . . . . . 102 LYS CB . 50961 1 849 . 1 . 1 103 103 GLN H H 1 8.233 0.000 . . . . . . . 103 GLN H . 50961 1 850 . 1 . 1 103 103 GLN HA H 1 4.199 0.000 . . . . . . . 103 GLN HA . 50961 1 851 . 1 . 1 103 103 GLN HB2 H 1 2.000 0.000 . . . . . . . 103 GLN HB2 . 50961 1 852 . 1 . 1 103 103 GLN HB3 H 1 2.089 0.000 . . . . . . . 103 GLN HB3 . 50961 1 853 . 1 . 1 103 103 GLN HG2 H 1 2.315 0.000 . . . . . . . 103 GLN HG2 . 50961 1 854 . 1 . 1 103 103 GLN HG3 H 1 2.380 0.000 . . . . . . . 103 GLN HG3 . 50961 1 855 . 1 . 1 103 103 GLN C C 13 176.130 0.000 . . . . . . . 103 GLN C . 50961 1 856 . 1 . 1 103 103 GLN CA C 13 56.320 0.000 . . . . . . . 103 GLN CA . 50961 1 857 . 1 . 1 103 103 GLN CB C 13 29.340 0.000 . . . . . . . 103 GLN CB . 50961 1 858 . 1 . 1 103 103 GLN N N 15 120.840 0.000 . . . . . . . 103 GLN N . 50961 1 859 . 1 . 1 104 104 MET H H 1 8.266 0.000 . . . . . . . 104 MET H . 50961 1 860 . 1 . 1 104 104 MET HA H 1 4.405 0.000 . . . . . . . 104 MET HA . 50961 1 861 . 1 . 1 104 104 MET HB2 H 1 1.980 0.000 . . . . . . . 104 MET HB2 . 50961 1 862 . 1 . 1 104 104 MET HB3 H 1 2.055 0.000 . . . . . . . 104 MET HB3 . 50961 1 863 . 1 . 1 104 104 MET HG2 H 1 2.490 0.000 . . . . . . . 104 MET HG2 . 50961 1 864 . 1 . 1 104 104 MET HG3 H 1 2.564 0.000 . . . . . . . 104 MET HG3 . 50961 1 865 . 1 . 1 104 104 MET HE1 H 1 2.022 0.000 . . . . . . . 104 MET HE# . 50961 1 866 . 1 . 1 104 104 MET HE2 H 1 2.022 0.000 . . . . . . . 104 MET HE# . 50961 1 867 . 1 . 1 104 104 MET HE3 H 1 2.022 0.000 . . . . . . . 104 MET HE# . 50961 1 868 . 1 . 1 104 104 MET C C 13 176.490 0.000 . . . . . . . 104 MET C . 50961 1 869 . 1 . 1 104 104 MET CA C 13 56.100 0.000 . . . . . . . 104 MET CA . 50961 1 870 . 1 . 1 104 104 MET CB C 13 32.830 0.000 . . . . . . . 104 MET CB . 50961 1 871 . 1 . 1 104 104 MET N N 15 121.490 0.000 . . . . . . . 104 MET N . 50961 1 872 . 1 . 1 105 105 VAL H H 1 8.015 0.000 . . . . . . . 105 VAL H . 50961 1 873 . 1 . 1 105 105 VAL HA H 1 4.008 0.000 . . . . . . . 105 VAL HA . 50961 1 874 . 1 . 1 105 105 VAL HB H 1 2.055 0.000 . . . . . . . 105 VAL HB . 50961 1 875 . 1 . 1 105 105 VAL HG11 H 1 0.932 0.000 . . . . . . . 105 VAL QG1 . 50961 1 876 . 1 . 1 105 105 VAL HG12 H 1 0.932 0.000 . . . . . . . 105 VAL QG1 . 50961 1 877 . 1 . 1 105 105 VAL HG13 H 1 0.932 0.000 . . . . . . . 105 VAL QG1 . 50961 1 878 . 1 . 1 105 105 VAL HG21 H 1 0.870 0.000 . . . . . . . 105 VAL QG2 . 50961 1 879 . 1 . 1 105 105 VAL HG22 H 1 0.870 0.000 . . . . . . . 105 VAL QG2 . 50961 1 880 . 1 . 1 105 105 VAL HG23 H 1 0.870 0.000 . . . . . . . 105 VAL QG2 . 50961 1 881 . 1 . 1 105 105 VAL C C 13 176.460 0.000 . . . . . . . 105 VAL C . 50961 1 882 . 1 . 1 105 105 VAL CA C 13 62.920 0.000 . . . . . . . 105 VAL CA . 50961 1 883 . 1 . 1 105 105 VAL CB C 13 32.730 0.000 . . . . . . . 105 VAL CB . 50961 1 884 . 1 . 1 105 105 VAL CG1 C 13 21.000 0.000 . . . . . . . 105 VAL CG1 . 50961 1 885 . 1 . 1 105 105 VAL CG2 C 13 21.000 0.000 . . . . . . . 105 VAL CG2 . 50961 1 886 . 1 . 1 105 105 VAL N N 15 120.760 0.000 . . . . . . . 105 VAL N . 50961 1 887 . 1 . 1 106 106 GLU H H 1 8.377 0.000 . . . . . . . 106 GLU H . 50961 1 888 . 1 . 1 106 106 GLU HA H 1 4.158 0.000 . . . . . . . 106 GLU HA . 50961 1 889 . 1 . 1 106 106 GLU HB2 H 1 1.856 0.000 . . . . . . . 106 GLU HB2 . 50961 1 890 . 1 . 1 106 106 GLU HB3 H 1 1.930 0.000 . . . . . . . 106 GLU HB3 . 50961 1 891 . 1 . 1 106 106 GLU HG2 H 1 2.055 0.000 . . . . . . . 106 GLU HG2 . 50961 1 892 . 1 . 1 106 106 GLU HG3 H 1 2.191 0.000 . . . . . . . 106 GLU HG3 . 50961 1 893 . 1 . 1 106 106 GLU C C 13 176.360 0.000 . . . . . . . 106 GLU C . 50961 1 894 . 1 . 1 106 106 GLU CA C 13 57.110 0.000 . . . . . . . 106 GLU CA . 50961 1 895 . 1 . 1 106 106 GLU CB C 13 30.160 0.000 . . . . . . . 106 GLU CB . 50961 1 896 . 1 . 1 106 106 GLU N N 15 123.970 0.000 . . . . . . . 106 GLU N . 50961 1 897 . 1 . 1 107 107 ASP H H 1 8.247 0.000 . . . . . . . 107 ASP H . 50961 1 898 . 1 . 1 107 107 ASP HA H 1 4.495 0.000 . . . . . . . 107 ASP HA . 50961 1 899 . 1 . 1 107 107 ASP HB2 H 1 2.539 0.000 . . . . . . . 107 ASP HB2 . 50961 1 900 . 1 . 1 107 107 ASP HB3 H 1 2.598 0.000 . . . . . . . 107 ASP HB3 . 50961 1 901 . 1 . 1 107 107 ASP C C 13 176.400 0.000 . . . . . . . 107 ASP C . 50961 1 902 . 1 . 1 107 107 ASP CA C 13 54.650 0.000 . . . . . . . 107 ASP CA . 50961 1 903 . 1 . 1 107 107 ASP CB C 13 41.100 0.000 . . . . . . . 107 ASP CB . 50961 1 904 . 1 . 1 107 107 ASP N N 15 121.330 0.000 . . . . . . . 107 ASP N . 50961 1 905 . 1 . 1 108 108 TYR H H 1 8.017 0.000 . . . . . . . 108 TYR H . 50961 1 906 . 1 . 1 108 108 TYR HA H 1 4.263 0.000 . . . . . . . 108 TYR HA . 50961 1 907 . 1 . 1 108 108 TYR HB2 H 1 2.802 0.000 . . . . . . . 108 TYR HB2 . 50961 1 908 . 1 . 1 108 108 TYR HB3 H 1 2.860 0.000 . . . . . . . 108 TYR HB3 . 50961 1 909 . 1 . 1 108 108 TYR HD1 H 1 6.958 0.000 . . . . . . . 108 TYR QD . 50961 1 910 . 1 . 1 108 108 TYR HD2 H 1 6.958 0.000 . . . . . . . 108 TYR QD . 50961 1 911 . 1 . 1 108 108 TYR C C 13 176.350 0.000 . . . . . . . 108 TYR C . 50961 1 912 . 1 . 1 108 108 TYR CA C 13 58.530 0.000 . . . . . . . 108 TYR CA . 50961 1 913 . 1 . 1 108 108 TYR CB C 13 38.080 0.000 . . . . . . . 108 TYR CB . 50961 1 914 . 1 . 1 108 108 TYR N N 15 120.740 0.000 . . . . . . . 108 TYR N . 50961 1 915 . 1 . 1 109 109 GLN H H 1 8.153 0.000 . . . . . . . 109 GLN H . 50961 1 916 . 1 . 1 109 109 GLN HA H 1 4.047 0.000 . . . . . . . 109 GLN HA . 50961 1 917 . 1 . 1 109 109 GLN HB2 H 1 1.880 0.000 . . . . . . . 109 GLN HB2 . 50961 1 918 . 1 . 1 109 109 GLN HB3 H 1 1.956 0.000 . . . . . . . 109 GLN HB3 . 50961 1 919 . 1 . 1 109 109 GLN HG2 H 1 2.000 0.000 . . . . . . . 109 GLN HG2 . 50961 1 920 . 1 . 1 109 109 GLN HG3 H 1 2.115 0.000 . . . . . . . 109 GLN HG3 . 50961 1 921 . 1 . 1 109 109 GLN C C 13 176.070 0.000 . . . . . . . 109 GLN C . 50961 1 922 . 1 . 1 109 109 GLN CA C 13 56.970 0.000 . . . . . . . 109 GLN CA . 50961 1 923 . 1 . 1 109 109 GLN CB C 13 28.820 0.000 . . . . . . . 109 GLN CB . 50961 1 924 . 1 . 1 109 109 GLN N N 15 121.450 0.000 . . . . . . . 109 GLN N . 50961 1 925 . 1 . 1 110 110 TRP H H 1 7.783 0.000 . . . . . . . 110 TRP H . 50961 1 926 . 1 . 1 110 110 TRP HA H 1 4.537 0.000 . . . . . . . 110 TRP HA . 50961 1 927 . 1 . 1 110 110 TRP HB2 H 1 3.200 0.000 . . . . . . . 110 TRP HB2 . 50961 1 928 . 1 . 1 110 110 TRP HB3 H 1 3.300 0.000 . . . . . . . 110 TRP HB3 . 50961 1 929 . 1 . 1 110 110 TRP HD1 H 1 7.226 0.000 . . . . . . . 110 TRP HD1 . 50961 1 930 . 1 . 1 110 110 TRP HE1 H 1 10.150 0.000 . . . . . . . 110 TRP HE1 . 50961 1 931 . 1 . 1 110 110 TRP HZ2 H 1 7.356 0.000 . . . . . . . 110 TRP HZ2 . 50961 1 932 . 1 . 1 110 110 TRP C C 13 176.390 0.000 . . . . . . . 110 TRP C . 50961 1 933 . 1 . 1 110 110 TRP CA C 13 57.640 0.000 . . . . . . . 110 TRP CA . 50961 1 934 . 1 . 1 110 110 TRP CB C 13 28.960 0.000 . . . . . . . 110 TRP CB . 50961 1 935 . 1 . 1 110 110 TRP N N 15 120.710 0.000 . . . . . . . 110 TRP N . 50961 1 936 . 1 . 1 110 110 TRP NE1 N 15 130.300 0.000 . . . . . . . 110 TRP NE1 . 50961 1 937 . 1 . 1 111 111 LEU H H 1 7.758 0.000 . . . . . . . 111 LEU H . 50961 1 938 . 1 . 1 111 111 LEU HA H 1 4.150 0.000 . . . . . . . 111 LEU HA . 50961 1 939 . 1 . 1 111 111 LEU HB2 H 1 1.425 0.000 . . . . . . . 111 LEU HB2 . 50961 1 940 . 1 . 1 111 111 LEU HB3 H 1 1.477 0.000 . . . . . . . 111 LEU HB3 . 50961 1 941 . 1 . 1 111 111 LEU HG H 1 1.335 0.000 . . . . . . . 111 LEU HG . 50961 1 942 . 1 . 1 111 111 LEU HD11 H 1 0.811 0.000 . . . . . . . 111 LEU QD1 . 50961 1 943 . 1 . 1 111 111 LEU HD12 H 1 0.811 0.000 . . . . . . . 111 LEU QD1 . 50961 1 944 . 1 . 1 111 111 LEU HD13 H 1 0.811 0.000 . . . . . . . 111 LEU QD1 . 50961 1 945 . 1 . 1 111 111 LEU HD21 H 1 0.748 0.000 . . . . . . . 111 LEU QD2 . 50961 1 946 . 1 . 1 111 111 LEU HD22 H 1 0.748 0.000 . . . . . . . 111 LEU QD2 . 50961 1 947 . 1 . 1 111 111 LEU HD23 H 1 0.748 0.000 . . . . . . . 111 LEU QD2 . 50961 1 948 . 1 . 1 111 111 LEU C C 13 177.260 0.000 . . . . . . . 111 LEU C . 50961 1 949 . 1 . 1 111 111 LEU CA C 13 55.460 0.000 . . . . . . . 111 LEU CA . 50961 1 950 . 1 . 1 111 111 LEU CB C 13 42.280 0.000 . . . . . . . 111 LEU CB . 50961 1 951 . 1 . 1 111 111 LEU N N 15 122.840 0.000 . . . . . . . 111 LEU N . 50961 1 952 . 1 . 1 112 112 ARG H H 1 8.035 0.000 . . . . . . . 112 ARG H . 50961 1 953 . 1 . 1 112 112 ARG HA H 1 4.160 0.000 . . . . . . . 112 ARG HA . 50961 1 954 . 1 . 1 112 112 ARG HB2 H 1 1.800 0.000 . . . . . . . 112 ARG HB2 . 50961 1 955 . 1 . 1 112 112 ARG HB3 H 1 1.900 0.000 . . . . . . . 112 ARG HB3 . 50961 1 956 . 1 . 1 112 112 ARG HG2 H 1 1.600 0.000 . . . . . . . 112 ARG HG2 . 50961 1 957 . 1 . 1 112 112 ARG HG3 H 1 1.700 0.000 . . . . . . . 112 ARG HG3 . 50961 1 958 . 1 . 1 112 112 ARG HD2 H 1 3.079 0.000 . . . . . . . 112 ARG HD2 . 50961 1 959 . 1 . 1 112 112 ARG HD3 H 1 3.117 0.000 . . . . . . . 112 ARG HD3 . 50961 1 960 . 1 . 1 112 112 ARG C C 13 176.500 0.000 . . . . . . . 112 ARG C . 50961 1 961 . 1 . 1 112 112 ARG CA C 13 56.320 0.000 . . . . . . . 112 ARG CA . 50961 1 962 . 1 . 1 112 112 ARG CB C 13 30.510 0.000 . . . . . . . 112 ARG CB . 50961 1 963 . 1 . 1 112 112 ARG N N 15 121.370 0.000 . . . . . . . 112 ARG N . 50961 1 964 . 1 . 1 113 113 GLN H H 1 8.276 0.000 . . . . . . . 113 GLN H . 50961 1 965 . 1 . 1 113 113 GLN HA H 1 4.212 0.000 . . . . . . . 113 GLN HA . 50961 1 966 . 1 . 1 113 113 GLN HB2 H 1 1.983 0.000 . . . . . . . 113 GLN HB2 . 50961 1 967 . 1 . 1 113 113 GLN HB3 H 1 2.038 0.000 . . . . . . . 113 GLN HB3 . 50961 1 968 . 1 . 1 113 113 GLN HG2 H 1 2.214 0.000 . . . . . . . 113 GLN HG2 . 50961 1 969 . 1 . 1 113 113 GLN HG3 H 1 2.302 0.000 . . . . . . . 113 GLN HG3 . 50961 1 970 . 1 . 1 113 113 GLN C C 13 176.180 0.000 . . . . . . . 113 GLN C . 50961 1 971 . 1 . 1 113 113 GLN CA C 13 56.220 0.000 . . . . . . . 113 GLN CA . 50961 1 972 . 1 . 1 113 113 GLN CB C 13 29.400 0.000 . . . . . . . 113 GLN CB . 50961 1 973 . 1 . 1 113 113 GLN N N 15 121.640 0.000 . . . . . . . 113 GLN N . 50961 1 974 . 1 . 1 114 114 GLU H H 1 8.483 0.000 . . . . . . . 114 GLU H . 50961 1 975 . 1 . 1 114 114 GLU HA H 1 4.194 0.000 . . . . . . . 114 GLU HA . 50961 1 976 . 1 . 1 114 114 GLU HB2 H 1 1.863 0.000 . . . . . . . 114 GLU HB2 . 50961 1 977 . 1 . 1 114 114 GLU HB3 H 1 2.001 0.000 . . . . . . . 114 GLU HB3 . 50961 1 978 . 1 . 1 114 114 GLU HG2 H 1 2.178 0.000 . . . . . . . 114 GLU HG2 . 50961 1 979 . 1 . 1 114 114 GLU HG3 H 1 2.300 0.000 . . . . . . . 114 GLU HG3 . 50961 1 980 . 1 . 1 114 114 GLU C C 13 176.620 0.000 . . . . . . . 114 GLU C . 50961 1 981 . 1 . 1 114 114 GLU CA C 13 56.870 0.000 . . . . . . . 114 GLU CA . 50961 1 982 . 1 . 1 114 114 GLU CB C 13 30.170 0.000 . . . . . . . 114 GLU CB . 50961 1 983 . 1 . 1 114 114 GLU N N 15 122.170 0.000 . . . . . . . 114 GLU N . 50961 1 984 . 1 . 1 115 115 GLU H H 1 8.368 0.000 . . . . . . . 115 GLU H . 50961 1 985 . 1 . 1 115 115 GLU HA H 1 4.204 0.000 . . . . . . . 115 GLU HA . 50961 1 986 . 1 . 1 115 115 GLU HB2 H 1 1.918 0.000 . . . . . . . 115 GLU HB2 . 50961 1 987 . 1 . 1 115 115 GLU HB3 H 1 1.988 0.000 . . . . . . . 115 GLU HB3 . 50961 1 988 . 1 . 1 115 115 GLU HG2 H 1 2.200 0.000 . . . . . . . 115 GLU HG2 . 50961 1 989 . 1 . 1 115 115 GLU HG3 H 1 2.227 0.000 . . . . . . . 115 GLU HG3 . 50961 1 990 . 1 . 1 115 115 GLU C C 13 176.570 0.000 . . . . . . . 115 GLU C . 50961 1 991 . 1 . 1 115 115 GLU CA C 13 56.880 0.000 . . . . . . . 115 GLU CA . 50961 1 992 . 1 . 1 115 115 GLU CB C 13 30.160 0.000 . . . . . . . 115 GLU CB . 50961 1 993 . 1 . 1 115 115 GLU N N 15 122.490 0.000 . . . . . . . 115 GLU N . 50961 1 994 . 1 . 1 116 116 LYS H H 1 8.250 0.000 . . . . . . . 116 LYS H . 50961 1 995 . 1 . 1 116 116 LYS HA H 1 4.270 0.000 . . . . . . . 116 LYS HA . 50961 1 996 . 1 . 1 116 116 LYS HB2 H 1 1.728 0.000 . . . . . . . 116 LYS HB2 . 50961 1 997 . 1 . 1 116 116 LYS HB3 H 1 1.793 0.000 . . . . . . . 116 LYS HB3 . 50961 1 998 . 1 . 1 116 116 LYS HG2 H 1 1.352 0.000 . . . . . . . 116 LYS HG2 . 50961 1 999 . 1 . 1 116 116 LYS HG3 H 1 1.413 0.000 . . . . . . . 116 LYS HG3 . 50961 1 1000 . 1 . 1 116 116 LYS HD3 H 1 1.592 0.000 . . . . . . . 116 LYS HD3 . 50961 1 1001 . 1 . 1 116 116 LYS HE3 H 1 3.057 0.000 . . . . . . . 116 LYS HE3 . 50961 1 1002 . 1 . 1 116 116 LYS C C 13 176.540 0.000 . . . . . . . 116 LYS C . 50961 1 1003 . 1 . 1 116 116 LYS CA C 13 56.370 0.000 . . . . . . . 116 LYS CA . 50961 1 1004 . 1 . 1 116 116 LYS CB C 13 33.110 0.000 . . . . . . . 116 LYS CB . 50961 1 1005 . 1 . 1 116 116 LYS N N 15 122.690 0.000 . . . . . . . 116 LYS N . 50961 1 1006 . 1 . 1 117 117 SER H H 1 8.271 0.000 . . . . . . . 117 SER H . 50961 1 1007 . 1 . 1 117 117 SER HA H 1 4.379 0.000 . . . . . . . 117 SER HA . 50961 1 1008 . 1 . 1 117 117 SER HB2 H 1 3.800 0.000 . . . . . . . 117 SER HB2 . 50961 1 1009 . 1 . 1 117 117 SER HB3 H 1 3.848 0.000 . . . . . . . 117 SER HB3 . 50961 1 1010 . 1 . 1 117 117 SER C C 13 174.430 0.000 . . . . . . . 117 SER C . 50961 1 1011 . 1 . 1 117 117 SER CA C 13 58.450 0.000 . . . . . . . 117 SER CA . 50961 1 1012 . 1 . 1 117 117 SER CB C 13 63.910 0.000 . . . . . . . 117 SER CB . 50961 1 1013 . 1 . 1 117 117 SER N N 15 117.330 0.000 . . . . . . . 117 SER N . 50961 1 1014 . 1 . 1 118 118 LEU H H 1 8.248 0.000 . . . . . . . 118 LEU H . 50961 1 1015 . 1 . 1 118 118 LEU HA H 1 4.359 0.000 . . . . . . . 118 LEU HA . 50961 1 1016 . 1 . 1 118 118 LEU HB2 H 1 1.502 0.000 . . . . . . . 118 LEU HB2 . 50961 1 1017 . 1 . 1 118 118 LEU HB3 H 1 1.575 0.000 . . . . . . . 118 LEU HB3 . 50961 1 1018 . 1 . 1 118 118 LEU HG H 1 1.600 0.000 . . . . . . . 118 LEU HG . 50961 1 1019 . 1 . 1 118 118 LEU HD11 H 1 0.851 0.000 . . . . . . . 118 LEU QD1 . 50961 1 1020 . 1 . 1 118 118 LEU HD12 H 1 0.851 0.000 . . . . . . . 118 LEU QD1 . 50961 1 1021 . 1 . 1 118 118 LEU HD13 H 1 0.851 0.000 . . . . . . . 118 LEU QD1 . 50961 1 1022 . 1 . 1 118 118 LEU HD21 H 1 0.801 0.000 . . . . . . . 118 LEU QD2 . 50961 1 1023 . 1 . 1 118 118 LEU HD22 H 1 0.801 0.000 . . . . . . . 118 LEU QD2 . 50961 1 1024 . 1 . 1 118 118 LEU HD23 H 1 0.801 0.000 . . . . . . . 118 LEU QD2 . 50961 1 1025 . 1 . 1 118 118 LEU C C 13 176.780 0.000 . . . . . . . 118 LEU C . 50961 1 1026 . 1 . 1 118 118 LEU CA C 13 54.900 0.000 . . . . . . . 118 LEU CA . 50961 1 1027 . 1 . 1 118 118 LEU CB C 13 42.400 0.000 . . . . . . . 118 LEU CB . 50961 1 1028 . 1 . 1 118 118 LEU N N 15 124.670 0.000 . . . . . . . 118 LEU N . 50961 1 1029 . 1 . 1 119 119 ASP H H 1 8.253 0.000 . . . . . . . 119 ASP H . 50961 1 1030 . 1 . 1 119 119 ASP HA H 1 4.323 0.000 . . . . . . . 119 ASP HA . 50961 1 1031 . 1 . 1 119 119 ASP HB2 H 1 2.503 0.000 . . . . . . . 119 ASP HB2 . 50961 1 1032 . 1 . 1 119 119 ASP HB3 H 1 2.755 0.000 . . . . . . . 119 ASP HB3 . 50961 1 1033 . 1 . 1 119 119 ASP C C 13 174.810 0.000 . . . . . . . 119 ASP C . 50961 1 1034 . 1 . 1 119 119 ASP CA C 13 52.150 0.000 . . . . . . . 119 ASP CA . 50961 1 1035 . 1 . 1 119 119 ASP CB C 13 41.330 0.000 . . . . . . . 119 ASP CB . 50961 1 1036 . 1 . 1 119 119 ASP N N 15 123.530 0.000 . . . . . . . 119 ASP N . 50961 1 1037 . 1 . 1 120 120 PRO HA H 1 4.297 0.000 . . . . . . . 120 PRO HA . 50961 1 1038 . 1 . 1 120 120 PRO HB2 H 1 2.000 0.000 . . . . . . . 120 PRO HB2 . 50961 1 1039 . 1 . 1 120 120 PRO HB3 H 1 2.247 0.000 . . . . . . . 120 PRO HB3 . 50961 1 1040 . 1 . 1 120 120 PRO HG2 H 1 2.050 0.000 . . . . . . . 120 PRO HG2 . 50961 1 1041 . 1 . 1 120 120 PRO HG3 H 1 2.150 0.000 . . . . . . . 120 PRO HG3 . 50961 1 1042 . 1 . 1 120 120 PRO HD2 H 1 3.794 0.000 . . . . . . . 120 PRO HD2 . 50961 1 1043 . 1 . 1 120 120 PRO HD3 H 1 3.847 0.000 . . . . . . . 120 PRO HD3 . 50961 1 1044 . 1 . 1 120 120 PRO C C 13 177.400 0.000 . . . . . . . 120 PRO C . 50961 1 1045 . 1 . 1 120 120 PRO CA C 13 63.740 0.000 . . . . . . . 120 PRO CA . 50961 1 1046 . 1 . 1 120 120 PRO CB C 13 32.190 0.000 . . . . . . . 120 PRO CB . 50961 1 1047 . 1 . 1 121 121 MET H H 1 8.434 0.000 . . . . . . . 121 MET H . 50961 1 1048 . 1 . 1 121 121 MET HA H 1 4.317 0.000 . . . . . . . 121 MET HA . 50961 1 1049 . 1 . 1 121 121 MET HB2 H 1 1.905 0.000 . . . . . . . 121 MET HB2 . 50961 1 1050 . 1 . 1 121 121 MET HB3 H 1 1.985 0.000 . . . . . . . 121 MET HB3 . 50961 1 1051 . 1 . 1 121 121 MET HG2 H 1 2.435 0.000 . . . . . . . 121 MET HG2 . 50961 1 1052 . 1 . 1 121 121 MET HG3 H 1 2.517 0.000 . . . . . . . 121 MET HG3 . 50961 1 1053 . 1 . 1 121 121 MET HE1 H 1 2.027 0.000 . . . . . . . 121 MET HE# . 50961 1 1054 . 1 . 1 121 121 MET HE2 H 1 2.027 0.000 . . . . . . . 121 MET HE# . 50961 1 1055 . 1 . 1 121 121 MET HE3 H 1 2.027 0.000 . . . . . . . 121 MET HE# . 50961 1 1056 . 1 . 1 121 121 MET C C 13 176.670 0.000 . . . . . . . 121 MET C . 50961 1 1057 . 1 . 1 121 121 MET CA C 13 55.880 0.000 . . . . . . . 121 MET CA . 50961 1 1058 . 1 . 1 121 121 MET CB C 13 32.190 0.000 . . . . . . . 121 MET CB . 50961 1 1059 . 1 . 1 121 121 MET N N 15 119.130 0.000 . . . . . . . 121 MET N . 50961 1 1060 . 1 . 1 122 122 VAL H H 1 7.784 0.000 . . . . . . . 122 VAL H . 50961 1 1061 . 1 . 1 122 122 VAL HA H 1 3.955 0.000 . . . . . . . 122 VAL HA . 50961 1 1062 . 1 . 1 122 122 VAL HB H 1 1.969 0.000 . . . . . . . 122 VAL HB . 50961 1 1063 . 1 . 1 122 122 VAL HG11 H 1 0.844 0.000 . . . . . . . 122 VAL QG1 . 50961 1 1064 . 1 . 1 122 122 VAL HG12 H 1 0.844 0.000 . . . . . . . 122 VAL QG1 . 50961 1 1065 . 1 . 1 122 122 VAL HG13 H 1 0.844 0.000 . . . . . . . 122 VAL QG1 . 50961 1 1066 . 1 . 1 122 122 VAL HG21 H 1 0.776 0.000 . . . . . . . 122 VAL QG2 . 50961 1 1067 . 1 . 1 122 122 VAL HG22 H 1 0.776 0.000 . . . . . . . 122 VAL QG2 . 50961 1 1068 . 1 . 1 122 122 VAL HG23 H 1 0.776 0.000 . . . . . . . 122 VAL QG2 . 50961 1 1069 . 1 . 1 122 122 VAL C C 13 175.910 0.000 . . . . . . . 122 VAL C . 50961 1 1070 . 1 . 1 122 122 VAL CA C 13 62.810 0.000 . . . . . . . 122 VAL CA . 50961 1 1071 . 1 . 1 122 122 VAL CB C 13 32.690 0.000 . . . . . . . 122 VAL CB . 50961 1 1072 . 1 . 1 122 122 VAL CG1 C 13 21.000 0.000 . . . . . . . 122 VAL CG1 . 50961 1 1073 . 1 . 1 122 122 VAL CG2 C 13 21.000 0.000 . . . . . . . 122 VAL CG2 . 50961 1 1074 . 1 . 1 122 122 VAL N N 15 120.560 0.000 . . . . . . . 122 VAL N . 50961 1 1075 . 1 . 1 123 123 TYR H H 1 8.043 0.000 . . . . . . . 123 TYR H . 50961 1 1076 . 1 . 1 123 123 TYR HA H 1 4.530 0.000 . . . . . . . 123 TYR HA . 50961 1 1077 . 1 . 1 123 123 TYR HB2 H 1 2.863 0.000 . . . . . . . 123 TYR HB2 . 50961 1 1078 . 1 . 1 123 123 TYR HB3 H 1 3.013 0.000 . . . . . . . 123 TYR HB3 . 50961 1 1079 . 1 . 1 123 123 TYR HD1 H 1 7.070 0.000 . . . . . . . 123 TYR QD . 50961 1 1080 . 1 . 1 123 123 TYR HD2 H 1 7.070 0.000 . . . . . . . 123 TYR QD . 50961 1 1081 . 1 . 1 123 123 TYR C C 13 175.760 0.000 . . . . . . . 123 TYR C . 50961 1 1082 . 1 . 1 123 123 TYR CA C 13 57.980 0.000 . . . . . . . 123 TYR CA . 50961 1 1083 . 1 . 1 123 123 TYR CB C 13 38.650 0.000 . . . . . . . 123 TYR CB . 50961 1 1084 . 1 . 1 123 123 TYR N N 15 122.820 0.000 . . . . . . . 123 TYR N . 50961 1 1085 . 1 . 1 124 124 MET H H 1 8.095 0.000 . . . . . . . 124 MET H . 50961 1 1086 . 1 . 1 124 124 MET HA H 1 4.393 0.000 . . . . . . . 124 MET HA . 50961 1 1087 . 1 . 1 124 124 MET HB2 H 1 1.884 0.000 . . . . . . . 124 MET HB2 . 50961 1 1088 . 1 . 1 124 124 MET HB3 H 1 2.020 0.000 . . . . . . . 124 MET HB3 . 50961 1 1089 . 1 . 1 124 124 MET HG2 H 1 2.397 0.000 . . . . . . . 124 MET HG2 . 50961 1 1090 . 1 . 1 124 124 MET HG3 H 1 2.455 0.000 . . . . . . . 124 MET HG3 . 50961 1 1091 . 1 . 1 124 124 MET HE1 H 1 1.993 0.000 . . . . . . . 124 MET HE# . 50961 1 1092 . 1 . 1 124 124 MET HE2 H 1 1.993 0.000 . . . . . . . 124 MET HE# . 50961 1 1093 . 1 . 1 124 124 MET HE3 H 1 1.993 0.000 . . . . . . . 124 MET HE# . 50961 1 1094 . 1 . 1 124 124 MET C C 13 175.680 0.000 . . . . . . . 124 MET C . 50961 1 1095 . 1 . 1 124 124 MET CA C 13 55.460 0.000 . . . . . . . 124 MET CA . 50961 1 1096 . 1 . 1 124 124 MET CB C 13 32.820 0.000 . . . . . . . 124 MET CB . 50961 1 1097 . 1 . 1 124 124 MET N N 15 122.180 0.000 . . . . . . . 124 MET N . 50961 1 1098 . 1 . 1 125 125 ASN H H 1 8.257 0.000 . . . . . . . 125 ASN H . 50961 1 1099 . 1 . 1 125 125 ASN HA H 1 4.639 0.000 . . . . . . . 125 ASN HA . 50961 1 1100 . 1 . 1 125 125 ASN HB2 H 1 2.681 0.000 . . . . . . . 125 ASN HB2 . 50961 1 1101 . 1 . 1 125 125 ASN HB3 H 1 2.820 0.000 . . . . . . . 125 ASN HB3 . 50961 1 1102 . 1 . 1 125 125 ASN C C 13 174.810 0.000 . . . . . . . 125 ASN C . 50961 1 1103 . 1 . 1 125 125 ASN CA C 13 53.470 0.000 . . . . . . . 125 ASN CA . 50961 1 1104 . 1 . 1 125 125 ASN CB C 13 39.060 0.000 . . . . . . . 125 ASN CB . 50961 1 1105 . 1 . 1 125 125 ASN N N 15 120.060 0.000 . . . . . . . 125 ASN N . 50961 1 1106 . 1 . 1 126 126 ASP H H 1 8.295 0.000 . . . . . . . 126 ASP H . 50961 1 1107 . 1 . 1 126 126 ASP HA H 1 4.552 0.000 . . . . . . . 126 ASP HA . 50961 1 1108 . 1 . 1 126 126 ASP HB2 H 1 2.644 0.000 . . . . . . . 126 ASP HB2 . 50961 1 1109 . 1 . 1 126 126 ASP HB3 H 1 2.688 0.000 . . . . . . . 126 ASP HB3 . 50961 1 1110 . 1 . 1 126 126 ASP C C 13 176.070 0.000 . . . . . . . 126 ASP C . 50961 1 1111 . 1 . 1 126 126 ASP CA C 13 54.460 0.000 . . . . . . . 126 ASP CA . 50961 1 1112 . 1 . 1 126 126 ASP CB C 13 41.020 0.000 . . . . . . . 126 ASP CB . 50961 1 1113 . 1 . 1 126 126 ASP N N 15 121.310 0.000 . . . . . . . 126 ASP N . 50961 1 1114 . 1 . 1 127 127 LYS H H 1 8.172 0.000 . . . . . . . 127 LYS H . 50961 1 1115 . 1 . 1 127 127 LYS HA H 1 4.383 0.000 . . . . . . . 127 LYS HA . 50961 1 1116 . 1 . 1 127 127 LYS HB2 H 1 1.730 0.000 . . . . . . . 127 LYS HB2 . 50961 1 1117 . 1 . 1 127 127 LYS HB3 H 1 1.873 0.000 . . . . . . . 127 LYS HB3 . 50961 1 1118 . 1 . 1 127 127 LYS HG2 H 1 1.400 0.000 . . . . . . . 127 LYS HG2 . 50961 1 1119 . 1 . 1 127 127 LYS HG3 H 1 1.448 0.000 . . . . . . . 127 LYS HG3 . 50961 1 1120 . 1 . 1 127 127 LYS HD3 H 1 1.634 0.000 . . . . . . . 127 LYS HD3 . 50961 1 1121 . 1 . 1 127 127 LYS HE3 H 1 2.951 0.000 . . . . . . . 127 LYS HE3 . 50961 1 1122 . 1 . 1 127 127 LYS C C 13 175.840 0.000 . . . . . . . 127 LYS C . 50961 1 1123 . 1 . 1 127 127 LYS CA C 13 56.090 0.000 . . . . . . . 127 LYS CA . 50961 1 1124 . 1 . 1 127 127 LYS CB C 13 32.950 0.000 . . . . . . . 127 LYS CB . 50961 1 1125 . 1 . 1 127 127 LYS N N 15 122.010 0.000 . . . . . . . 127 LYS N . 50961 1 1126 . 1 . 1 128 128 SER H H 1 7.972 0.000 . . . . . . . 128 SER H . 50961 1 1127 . 1 . 1 128 128 SER HA H 1 4.198 0.000 . . . . . . . 128 SER HA . 50961 1 1128 . 1 . 1 128 128 SER HB2 H 1 3.787 0.000 . . . . . . . 128 SER HB2 . 50961 1 1129 . 1 . 1 128 128 SER HB3 H 1 3.832 0.000 . . . . . . . 128 SER HB3 . 50961 1 1130 . 1 . 1 128 128 SER C C 13 178.770 0.000 . . . . . . . 128 SER C . 50961 1 1131 . 1 . 1 128 128 SER CA C 13 60.210 0.000 . . . . . . . 128 SER CA . 50961 1 1132 . 1 . 1 128 128 SER CB C 13 64.760 0.000 . . . . . . . 128 SER CB . 50961 1 1133 . 1 . 1 128 128 SER N N 15 123.350 0.000 . . . . . . . 128 SER N . 50961 1 stop_ save_