data_50994 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50994 _Entry.Title ; Backbone 1H, 15N and 13C resonance assignments of a non-structural protein NS2B of Zika virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-23 _Entry.Accession_date 2021-06-23 _Entry.Last_release_date 2021-06-23 _Entry.Original_release_date 2021-06-23 _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 Beatriz Penna . R. . . 50994 2 'Danielle Maria' 'de Oliveira' . P. . 0000-0002-9889-5556 50994 3 Cristiane Anobom . D. . 0000-0002-3334-3080 50994 4 'Ana Paula' Valente . . . 0000-0001-7219-1123 50994 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Center of Macromolecular Nuclear Magnetic Resonance' . 50994 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50994 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 388 50994 '15N chemical shifts' 126 50994 '1H chemical shifts' 126 50994 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 2 . . 2022-06-01 2021-06-23 update BMRB 'update entry citation' 50994 1 . . 2021-12-13 2021-06-23 original author 'original release' 50994 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI AEN75265.1 'Entry containing assigned NMR chemical shifts for NS2B protein region of Zika virus polyprotein.' 50994 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50994 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34817802 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone 1 H, 15 N, and 13 C resonance assignments of the non-structural protein NS2B of Zika virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomolecular NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 31 _Citation.Page_last 35 _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 Beatriz Penna . R. . . 50994 1 2 Danielle 'de Oliveira' . M.P. . . 50994 1 3 Cristiane Anobom . D. . . 50994 1 4 'Ana Paula' Valente . . . . 50994 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Zika virus, NS2B, Membrane protein, Viral replication, NMR, Assignment, NMR assignment' 50994 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50994 _Assembly.ID 1 _Assembly.Name 'NS2B protein' _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 17067.59 _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 'NS2B Protein' 1 $entity_1 . . yes native no yes . . . 50994 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50994 _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 ; MGSSHHHHHHSSGLVPRGSH MGSENLYFQGSWPPSEVLTA VGLICALAGGFAKADIEMAG PMAAVGLLIVSYVVSGKSVD MYIERAGDITWEKDAEVTGN SPRLDVALDESGDFSLVEED GPPMREIILKVVLMAICGMN PIAIPFAAGAWYVYVKTGKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-30 represent a hexa-histidine tag, thrombin and TEV cleavage sites.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 NCBI AEN75265.1 . 'polyprotein, partial [Zika virus] (region Flavi_NS2B)' . . . . . . . . . . . . . . 50994 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cofactor of NS3 protease' 50994 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 . 50994 1 2 . GLY . 50994 1 3 . SER . 50994 1 4 . SER . 50994 1 5 . HIS . 50994 1 6 . HIS . 50994 1 7 . HIS . 50994 1 8 . HIS . 50994 1 9 . HIS . 50994 1 10 . HIS . 50994 1 11 . SER . 50994 1 12 . SER . 50994 1 13 . GLY . 50994 1 14 . LEU . 50994 1 15 . VAL . 50994 1 16 . PRO . 50994 1 17 . ARG . 50994 1 18 . GLY . 50994 1 19 . SER . 50994 1 20 . HIS . 50994 1 21 . MET . 50994 1 22 . GLY . 50994 1 23 . SER . 50994 1 24 . GLU . 50994 1 25 . ASN . 50994 1 26 . LEU . 50994 1 27 . TYR . 50994 1 28 . PHE . 50994 1 29 . GLN . 50994 1 30 . GLY . 50994 1 31 . SER . 50994 1 32 . TRP . 50994 1 33 . PRO . 50994 1 34 . PRO . 50994 1 35 . SER . 50994 1 36 . GLU . 50994 1 37 . VAL . 50994 1 38 . LEU . 50994 1 39 . THR . 50994 1 40 . ALA . 50994 1 41 . VAL . 50994 1 42 . GLY . 50994 1 43 . LEU . 50994 1 44 . ILE . 50994 1 45 . CYS . 50994 1 46 . ALA . 50994 1 47 . LEU . 50994 1 48 . ALA . 50994 1 49 . GLY . 50994 1 50 . GLY . 50994 1 51 . PHE . 50994 1 52 . ALA . 50994 1 53 . LYS . 50994 1 54 . ALA . 50994 1 55 . ASP . 50994 1 56 . ILE . 50994 1 57 . GLU . 50994 1 58 . MET . 50994 1 59 . ALA . 50994 1 60 . GLY . 50994 1 61 . PRO . 50994 1 62 . MET . 50994 1 63 . ALA . 50994 1 64 . ALA . 50994 1 65 . VAL . 50994 1 66 . GLY . 50994 1 67 . LEU . 50994 1 68 . LEU . 50994 1 69 . ILE . 50994 1 70 . VAL . 50994 1 71 . SER . 50994 1 72 . TYR . 50994 1 73 . VAL . 50994 1 74 . VAL . 50994 1 75 . SER . 50994 1 76 . GLY . 50994 1 77 . LYS . 50994 1 78 . SER . 50994 1 79 . VAL . 50994 1 80 . ASP . 50994 1 81 . MET . 50994 1 82 . TYR . 50994 1 83 . ILE . 50994 1 84 . GLU . 50994 1 85 . ARG . 50994 1 86 . ALA . 50994 1 87 . GLY . 50994 1 88 . ASP . 50994 1 89 . ILE . 50994 1 90 . THR . 50994 1 91 . TRP . 50994 1 92 . GLU . 50994 1 93 . LYS . 50994 1 94 . ASP . 50994 1 95 . ALA . 50994 1 96 . GLU . 50994 1 97 . VAL . 50994 1 98 . THR . 50994 1 99 . GLY . 50994 1 100 . ASN . 50994 1 101 . SER . 50994 1 102 . PRO . 50994 1 103 . ARG . 50994 1 104 . LEU . 50994 1 105 . ASP . 50994 1 106 . VAL . 50994 1 107 . ALA . 50994 1 108 . LEU . 50994 1 109 . ASP . 50994 1 110 . GLU . 50994 1 111 . SER . 50994 1 112 . GLY . 50994 1 113 . ASP . 50994 1 114 . PHE . 50994 1 115 . SER . 50994 1 116 . LEU . 50994 1 117 . VAL . 50994 1 118 . GLU . 50994 1 119 . GLU . 50994 1 120 . ASP . 50994 1 121 . GLY . 50994 1 122 . PRO . 50994 1 123 . PRO . 50994 1 124 . MET . 50994 1 125 . ARG . 50994 1 126 . GLU . 50994 1 127 . ILE . 50994 1 128 . ILE . 50994 1 129 . LEU . 50994 1 130 . LYS . 50994 1 131 . VAL . 50994 1 132 . VAL . 50994 1 133 . LEU . 50994 1 134 . MET . 50994 1 135 . ALA . 50994 1 136 . ILE . 50994 1 137 . CYS . 50994 1 138 . GLY . 50994 1 139 . MET . 50994 1 140 . ASN . 50994 1 141 . PRO . 50994 1 142 . ILE . 50994 1 143 . ALA . 50994 1 144 . ILE . 50994 1 145 . PRO . 50994 1 146 . PHE . 50994 1 147 . ALA . 50994 1 148 . ALA . 50994 1 149 . GLY . 50994 1 150 . ALA . 50994 1 151 . TRP . 50994 1 152 . TYR . 50994 1 153 . VAL . 50994 1 154 . TYR . 50994 1 155 . VAL . 50994 1 156 . LYS . 50994 1 157 . THR . 50994 1 158 . GLY . 50994 1 159 . LYS . 50994 1 160 . ARG . 50994 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 50994 1 . GLY 2 2 50994 1 . SER 3 3 50994 1 . SER 4 4 50994 1 . HIS 5 5 50994 1 . HIS 6 6 50994 1 . HIS 7 7 50994 1 . HIS 8 8 50994 1 . HIS 9 9 50994 1 . HIS 10 10 50994 1 . SER 11 11 50994 1 . SER 12 12 50994 1 . GLY 13 13 50994 1 . LEU 14 14 50994 1 . VAL 15 15 50994 1 . PRO 16 16 50994 1 . ARG 17 17 50994 1 . GLY 18 18 50994 1 . SER 19 19 50994 1 . HIS 20 20 50994 1 . MET 21 21 50994 1 . GLY 22 22 50994 1 . SER 23 23 50994 1 . GLU 24 24 50994 1 . ASN 25 25 50994 1 . LEU 26 26 50994 1 . TYR 27 27 50994 1 . PHE 28 28 50994 1 . GLN 29 29 50994 1 . GLY 30 30 50994 1 . SER 31 31 50994 1 . TRP 32 32 50994 1 . PRO 33 33 50994 1 . PRO 34 34 50994 1 . SER 35 35 50994 1 . GLU 36 36 50994 1 . VAL 37 37 50994 1 . LEU 38 38 50994 1 . THR 39 39 50994 1 . ALA 40 40 50994 1 . VAL 41 41 50994 1 . GLY 42 42 50994 1 . LEU 43 43 50994 1 . ILE 44 44 50994 1 . CYS 45 45 50994 1 . ALA 46 46 50994 1 . LEU 47 47 50994 1 . ALA 48 48 50994 1 . GLY 49 49 50994 1 . GLY 50 50 50994 1 . PHE 51 51 50994 1 . ALA 52 52 50994 1 . LYS 53 53 50994 1 . ALA 54 54 50994 1 . ASP 55 55 50994 1 . ILE 56 56 50994 1 . GLU 57 57 50994 1 . MET 58 58 50994 1 . ALA 59 59 50994 1 . GLY 60 60 50994 1 . PRO 61 61 50994 1 . MET 62 62 50994 1 . ALA 63 63 50994 1 . ALA 64 64 50994 1 . VAL 65 65 50994 1 . GLY 66 66 50994 1 . LEU 67 67 50994 1 . LEU 68 68 50994 1 . ILE 69 69 50994 1 . VAL 70 70 50994 1 . SER 71 71 50994 1 . TYR 72 72 50994 1 . VAL 73 73 50994 1 . VAL 74 74 50994 1 . SER 75 75 50994 1 . GLY 76 76 50994 1 . LYS 77 77 50994 1 . SER 78 78 50994 1 . VAL 79 79 50994 1 . ASP 80 80 50994 1 . MET 81 81 50994 1 . TYR 82 82 50994 1 . ILE 83 83 50994 1 . GLU 84 84 50994 1 . ARG 85 85 50994 1 . ALA 86 86 50994 1 . GLY 87 87 50994 1 . ASP 88 88 50994 1 . ILE 89 89 50994 1 . THR 90 90 50994 1 . TRP 91 91 50994 1 . GLU 92 92 50994 1 . LYS 93 93 50994 1 . ASP 94 94 50994 1 . ALA 95 95 50994 1 . GLU 96 96 50994 1 . VAL 97 97 50994 1 . THR 98 98 50994 1 . GLY 99 99 50994 1 . ASN 100 100 50994 1 . SER 101 101 50994 1 . PRO 102 102 50994 1 . ARG 103 103 50994 1 . LEU 104 104 50994 1 . ASP 105 105 50994 1 . VAL 106 106 50994 1 . ALA 107 107 50994 1 . LEU 108 108 50994 1 . ASP 109 109 50994 1 . GLU 110 110 50994 1 . SER 111 111 50994 1 . GLY 112 112 50994 1 . ASP 113 113 50994 1 . PHE 114 114 50994 1 . SER 115 115 50994 1 . LEU 116 116 50994 1 . VAL 117 117 50994 1 . GLU 118 118 50994 1 . GLU 119 119 50994 1 . ASP 120 120 50994 1 . GLY 121 121 50994 1 . PRO 122 122 50994 1 . PRO 123 123 50994 1 . MET 124 124 50994 1 . ARG 125 125 50994 1 . GLU 126 126 50994 1 . ILE 127 127 50994 1 . ILE 128 128 50994 1 . LEU 129 129 50994 1 . LYS 130 130 50994 1 . VAL 131 131 50994 1 . VAL 132 132 50994 1 . LEU 133 133 50994 1 . MET 134 134 50994 1 . ALA 135 135 50994 1 . ILE 136 136 50994 1 . CYS 137 137 50994 1 . GLY 138 138 50994 1 . MET 139 139 50994 1 . ASN 140 140 50994 1 . PRO 141 141 50994 1 . ILE 142 142 50994 1 . ALA 143 143 50994 1 . ILE 144 144 50994 1 . PRO 145 145 50994 1 . PHE 146 146 50994 1 . ALA 147 147 50994 1 . ALA 148 148 50994 1 . GLY 149 149 50994 1 . ALA 150 150 50994 1 . TRP 151 151 50994 1 . TYR 152 152 50994 1 . VAL 153 153 50994 1 . TYR 154 154 50994 1 . VAL 155 155 50994 1 . LYS 156 156 50994 1 . THR 157 157 50994 1 . GLY 158 158 50994 1 . LYS 159 159 50994 1 . ARG 160 160 50994 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 50994 _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 . 64320 organism . 'Zika Virus' 'Zika Virus' . . Viruses . Flavivirus 'Zika Virus' . . . . . . . . . . . . . 50994 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 50994 _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 BL21(DE3) . . plasmid . . pET28a . . . 50994 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50994 _Sample.ID 1 _Sample.Name '13C 15N NS2B' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NS2B '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50994 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50994 1 3 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 50994 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 50994 1 5 SDS 'natural abundance' . . . . . . 0.1 . . % . . . . 50994 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50994 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample condition' _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 pH 7 . pH 50994 1 pressure 1 . atm 50994 1 temperature 298 . K 50994 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50994 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version TopSpin3.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50994 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50994 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50994 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50994 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 'Analysis v.2.4.2' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50994 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50994 _Software.ID 4 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50994 4 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 50994 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 50994 _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 TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50994 1 2 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50994 1 3 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50994 1 4 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50994 1 5 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50994 1 6 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50994 1 7 '3D HN(CO)CACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50994 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 50994 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference' _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 carbons' . . . . Hz 2266.357381404 internal direct 0.251449530 . . . . . 50994 1 H 1 DSS protons . . . . Hz 4230.99 internal direct 1 . . . . . 50994 1 N 15 DSS nitrogen . . . . Hz 91.2174853158 internal direct 0.101329118 . . . . . 50994 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 50994 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chemical shifts NS2B' _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 TROSY' . . . 50994 1 2 '3D HNCO' . . . 50994 1 3 '3D HNCA' . . . 50994 1 4 '3D HNCACB' . . . 50994 1 5 '3D HN(CA)CO' . . . 50994 1 6 '3D HN(CO)CA' . . . 50994 1 7 '3D HN(CO)CACB' . . . 50994 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 . . 50994 1 2 $software_2 . . 50994 1 3 $software_3 . . 50994 1 4 $software_4 . . 50994 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 1 1 MET C C 13 173.748 . . . . . . . . 1 M C . 50994 1 2 . 1 . 1 1 1 MET CA C 13 53.553 . . . . . . . . 1 M CA . 50994 1 3 . 1 . 1 1 1 MET CB C 13 26.033 . . . . . . . . 1 M CB . 50994 1 4 . 1 . 1 2 2 GLY H H 1 7.540 . . . . . . . . 2 G HN . 50994 1 5 . 1 . 1 2 2 GLY C C 13 171.066 . . . . . . . . 2 G C . 50994 1 6 . 1 . 1 2 2 GLY CA C 13 42.816 . . . . . . . . 2 G CA . 50994 1 7 . 1 . 1 2 2 GLY N N 15 108.752 . . . . . . . . 2 G N . 50994 1 8 . 1 . 1 3 3 SER H H 1 7.709 . . . . . . . . 3 S HN . 50994 1 9 . 1 . 1 3 3 SER C C 13 170.690 . . . . . . . . 3 S C . 50994 1 10 . 1 . 1 3 3 SER CA C 13 55.799 . . . . . . . . 3 S CA . 50994 1 11 . 1 . 1 3 3 SER CB C 13 61.501 . . . . . . . . 3 S CB . 50994 1 12 . 1 . 1 3 3 SER N N 15 115.003 . . . . . . . . 3 S N . 50994 1 13 . 1 . 1 12 12 SER H H 1 8.215 . . . . . . . . 12 S HN . 50994 1 14 . 1 . 1 12 12 SER C C 13 172.460 . . . . . . . . 12 S C . 50994 1 15 . 1 . 1 12 12 SER CA C 13 56.370 . . . . . . . . 12 S CA . 50994 1 16 . 1 . 1 12 12 SER CB C 13 61.396 . . . . . . . . 12 S CB . 50994 1 17 . 1 . 1 12 12 SER N N 15 116.222 . . . . . . . . 12 S N . 50994 1 18 . 1 . 1 13 13 GLY H H 1 8.185 . . . . . . . . 13 G HN . 50994 1 19 . 1 . 1 13 13 GLY C C 13 171.354 . . . . . . . . 13 G C . 50994 1 20 . 1 . 1 13 13 GLY CA C 13 42.951 . . . . . . . . 13 G CA . 50994 1 21 . 1 . 1 13 13 GLY N N 15 110.728 . . . . . . . . 13 G N . 50994 1 22 . 1 . 1 14 14 LEU H H 1 7.897 . . . . . . . . 14 L HN . 50994 1 23 . 1 . 1 14 14 LEU C C 13 173.973 . . . . . . . . 14 L C . 50994 1 24 . 1 . 1 14 14 LEU CA C 13 53.542 . . . . . . . . 14 L CA . 50994 1 25 . 1 . 1 14 14 LEU CB C 13 39.582 . . . . . . . . 14 L CB . 50994 1 26 . 1 . 1 14 14 LEU N N 15 121.502 . . . . . . . . 14 L N . 50994 1 27 . 1 . 1 15 15 VAL H H 1 7.605 . . . . . . . . 15 V HN . 50994 1 28 . 1 . 1 15 15 VAL C C 13 171.684 . . . . . . . . 15 V C . 50994 1 29 . 1 . 1 15 15 VAL CA C 13 57.289 . . . . . . . . 15 V CA . 50994 1 30 . 1 . 1 15 15 VAL CB C 13 29.596 . . . . . . . . 15 V CB . 50994 1 31 . 1 . 1 15 15 VAL N N 15 118.174 . . . . . . . . 15 V N . 50994 1 32 . 1 . 1 16 16 PRO C C 13 174.048 . . . . . . . . 16 P C . 50994 1 33 . 1 . 1 16 16 PRO CA C 13 60.247 . . . . . . . . 16 P CA . 50994 1 34 . 1 . 1 16 16 PRO CB C 13 31.606 . . . . . . . . 16 P CB . 50994 1 35 . 1 . 1 17 17 ARG H H 1 8.517 . . . . . . . . 17 R HN . 50994 1 36 . 1 . 1 17 17 ARG C C 13 174.475 . . . . . . . . 17 R C . 50994 1 37 . 1 . 1 17 17 ARG CA C 13 54.159 . . . . . . . . 17 R CA . 50994 1 38 . 1 . 1 17 17 ARG CB C 13 27.485 . . . . . . . . 17 R CB . 50994 1 39 . 1 . 1 17 17 ARG N N 15 121.594 . . . . . . . . 17 R N . 50994 1 40 . 1 . 1 18 18 GLY H H 1 8.221 . . . . . . . . 18 G HN . 50994 1 41 . 1 . 1 18 18 GLY C C 13 171.940 . . . . . . . . 18 G C . 50994 1 42 . 1 . 1 18 18 GLY CA C 13 42.941 . . . . . . . . 18 G CA . 50994 1 43 . 1 . 1 18 18 GLY N N 15 109.523 . . . . . . . . 18 G N . 50994 1 44 . 1 . 1 19 19 SER H H 1 7.977 . . . . . . . . 19 S HN . 50994 1 45 . 1 . 1 19 19 SER C C 13 172.038 . . . . . . . . 19 S C . 50994 1 46 . 1 . 1 19 19 SER CA C 13 56.677 . . . . . . . . 19 S CA . 50994 1 47 . 1 . 1 19 19 SER CB C 13 61.293 . . . . . . . . 19 S CB . 50994 1 48 . 1 . 1 19 19 SER N N 15 115.225 . . . . . . . . 19 S N . 50994 1 49 . 1 . 1 20 20 HIS H H 1 8.279 . . . . . . . . 20 H HN . 50994 1 50 . 1 . 1 20 20 HIS C C 13 174.137 . . . . . . . . 20 H C . 50994 1 51 . 1 . 1 20 20 HIS CA C 13 54.102 . . . . . . . . 20 H CA . 50994 1 52 . 1 . 1 20 20 HIS CB C 13 26.649 . . . . . . . . 20 H CB . 50994 1 53 . 1 . 1 20 20 HIS N N 15 119.368 . . . . . . . . 20 H N . 50994 1 54 . 1 . 1 21 21 MET H H 1 8.030 . . . . . . . . 21 M HN . 50994 1 55 . 1 . 1 21 21 MET C C 13 173.900 . . . . . . . . 21 M C . 50994 1 56 . 1 . 1 21 21 MET CA C 13 59.966 . . . . . . . . 21 M CA . 50994 1 57 . 1 . 1 21 21 MET CB C 13 29.449 . . . . . . . . 21 M CB . 50994 1 58 . 1 . 1 21 21 MET N N 15 121.483 . . . . . . . . 21 M N . 50994 1 59 . 1 . 1 22 22 GLY H H 1 8.231 . . . . . . . . 22 G HN . 50994 1 60 . 1 . 1 22 22 GLY C C 13 171.781 . . . . . . . . 22 G C . 50994 1 61 . 1 . 1 22 22 GLY CA C 13 42.977 . . . . . . . . 22 G CA . 50994 1 62 . 1 . 1 22 22 GLY N N 15 109.740 . . . . . . . . 22 G N . 50994 1 63 . 1 . 1 23 23 SER H H 1 7.991 . . . . . . . . 23 S HN . 50994 1 64 . 1 . 1 23 23 SER C C 13 172.190 . . . . . . . . 23 S C . 50994 1 65 . 1 . 1 23 23 SER CA C 13 56.445 . . . . . . . . 23 S CA . 50994 1 66 . 1 . 1 23 23 SER CB C 13 61.399 . . . . . . . . 23 S CB . 50994 1 67 . 1 . 1 23 23 SER N N 15 115.488 . . . . . . . . 23 S N . 50994 1 68 . 1 . 1 24 24 GLU H H 1 8.375 . . . . . . . . 24 E HN . 50994 1 69 . 1 . 1 24 24 GLU C C 13 173.416 . . . . . . . . 24 E C . 50994 1 70 . 1 . 1 24 24 GLU CA C 13 54.464 . . . . . . . . 24 E CA . 50994 1 71 . 1 . 1 24 24 GLU CB C 13 26.670 . . . . . . . . 24 E CB . 50994 1 72 . 1 . 1 24 24 GLU N N 15 121.377 . . . . . . . . 24 E N . 50994 1 73 . 1 . 1 25 25 ASN H H 1 8.028 . . . . . . . . 25 N HN . 50994 1 74 . 1 . 1 25 25 ASN C C 13 171.860 . . . . . . . . 25 N C . 50994 1 75 . 1 . 1 25 25 ASN CA C 13 51.053 . . . . . . . . 25 N CA . 50994 1 76 . 1 . 1 25 25 ASN CB C 13 36.592 . . . . . . . . 25 N CB . 50994 1 77 . 1 . 1 25 25 ASN N N 15 118.062 . . . . . . . . 25 N N . 50994 1 78 . 1 . 1 26 26 LEU H H 1 7.850 . . . . . . . . 26 L HN . 50994 1 79 . 1 . 1 26 26 LEU C C 13 174.135 . . . . . . . . 26 L C . 50994 1 80 . 1 . 1 26 26 LEU CA C 13 52.809 . . . . . . . . 26 L CA . 50994 1 81 . 1 . 1 26 26 LEU CB C 13 38.908 . . . . . . . . 26 L CB . 50994 1 82 . 1 . 1 26 26 LEU N N 15 121.672 . . . . . . . . 26 L N . 50994 1 83 . 1 . 1 27 27 TYR H H 1 7.874 . . . . . . . . 27 Y HN . 50994 1 84 . 1 . 1 27 27 TYR C C 13 172.857 . . . . . . . . 27 Y C . 50994 1 85 . 1 . 1 27 27 TYR CA C 13 56.268 . . . . . . . . 27 Y CA . 50994 1 86 . 1 . 1 27 27 TYR CB C 13 36.249 . . . . . . . . 27 Y CB . 50994 1 87 . 1 . 1 27 27 TYR N N 15 119.841 . . . . . . . . 27 Y N . 50994 1 88 . 1 . 1 28 28 PHE H H 1 7.894 . . . . . . . . 28 F HN . 50994 1 89 . 1 . 1 28 28 PHE C C 13 173.014 . . . . . . . . 28 F C . 50994 1 90 . 1 . 1 28 28 PHE CA C 13 55.291 . . . . . . . . 28 F CA . 50994 1 91 . 1 . 1 28 28 PHE CB C 13 36.369 . . . . . . . . 28 F CB . 50994 1 92 . 1 . 1 28 28 PHE N N 15 118.819 . . . . . . . . 28 F N . 50994 1 93 . 1 . 1 29 29 GLN H H 1 8.050 . . . . . . . . 29 Q HN . 50994 1 94 . 1 . 1 29 29 GLN C C 13 173.761 . . . . . . . . 29 Q C . 50994 1 95 . 1 . 1 29 29 GLN CA C 13 53.421 . . . . . . . . 29 Q CA . 50994 1 96 . 1 . 1 29 29 GLN CB C 13 26.051 . . . . . . . . 29 Q CB . 50994 1 97 . 1 . 1 29 29 GLN N N 15 120.716 . . . . . . . . 29 Q N . 50994 1 98 . 1 . 1 30 30 GLY H H 1 7.474 . . . . . . . . 30 G HN . 50994 1 99 . 1 . 1 30 30 GLY C C 13 171.042 . . . . . . . . 30 G C . 50994 1 100 . 1 . 1 30 30 GLY CA C 13 42.826 . . . . . . . . 30 G CA . 50994 1 101 . 1 . 1 30 30 GLY N N 15 108.846 . . . . . . . . 30 G N . 50994 1 102 . 1 . 1 31 31 SER H H 1 7.919 . . . . . . . . 31 S HN . 50994 1 103 . 1 . 1 31 31 SER C C 13 169.822 . . . . . . . . 31 S C . 50994 1 104 . 1 . 1 31 31 SER CA C 13 55.501 . . . . . . . . 31 S CA . 50994 1 105 . 1 . 1 31 31 SER CB C 13 61.904 . . . . . . . . 31 S CB . 50994 1 106 . 1 . 1 31 31 SER N N 15 115.614 . . . . . . . . 31 S N . 50994 1 107 . 1 . 1 32 32 TRP H H 1 8.110 . . . . . . . . 32 W HN . 50994 1 108 . 1 . 1 32 32 TRP C C 13 171.977 . . . . . . . . 32 W C . 50994 1 109 . 1 . 1 32 32 TRP CA C 13 52.233 . . . . . . . . 32 W CA . 50994 1 110 . 1 . 1 32 32 TRP CB C 13 28.939 . . . . . . . . 32 W CB . 50994 1 111 . 1 . 1 32 32 TRP N N 15 123.140 . . . . . . . . 32 W N . 50994 1 112 . 1 . 1 39 39 THR H H 1 7.975 . . . . . . . . 39 T HN . 50994 1 113 . 1 . 1 39 39 THR C C 13 173.446 . . . . . . . . 39 T C . 50994 1 114 . 1 . 1 39 39 THR CA C 13 62.412 . . . . . . . . 39 T CA . 50994 1 115 . 1 . 1 39 39 THR CB C 13 66.377 . . . . . . . . 39 T CB . 50994 1 116 . 1 . 1 39 39 THR N N 15 116.250 . . . . . . . . 39 T N . 50994 1 117 . 1 . 1 40 40 ALA H H 1 7.811 . . . . . . . . 40 A HN . 50994 1 118 . 1 . 1 40 40 ALA C C 13 176.209 . . . . . . . . 40 A C . 50994 1 119 . 1 . 1 40 40 ALA CA C 13 52.901 . . . . . . . . 40 A CA . 50994 1 120 . 1 . 1 40 40 ALA CB C 13 15.463 . . . . . . . . 40 A CB . 50994 1 121 . 1 . 1 40 40 ALA N N 15 124.486 . . . . . . . . 40 A N . 50994 1 122 . 1 . 1 41 41 VAL H H 1 8.113 . . . . . . . . 41 V HN . 50994 1 123 . 1 . 1 41 41 VAL C C 13 175.353 . . . . . . . . 41 V C . 50994 1 124 . 1 . 1 41 41 VAL CA C 13 63.944 . . . . . . . . 41 V CA . 50994 1 125 . 1 . 1 41 41 VAL CB C 13 28.759 . . . . . . . . 41 V CB . 50994 1 126 . 1 . 1 41 41 VAL N N 15 116.515 . . . . . . . . 41 V N . 50994 1 127 . 1 . 1 42 42 GLY H H 1 7.981 . . . . . . . . 42 G HN . 50994 1 128 . 1 . 1 42 42 GLY C C 13 174.067 . . . . . . . . 42 G C . 50994 1 129 . 1 . 1 42 42 GLY CA C 13 44.609 . . . . . . . . 42 G CA . 50994 1 130 . 1 . 1 42 42 GLY N N 15 107.636 . . . . . . . . 42 G N . 50994 1 131 . 1 . 1 43 43 LEU H H 1 7.762 . . . . . . . . 43 L HN . 50994 1 132 . 1 . 1 43 43 LEU C C 13 176.365 . . . . . . . . 43 L C . 50994 1 133 . 1 . 1 43 43 LEU CA C 13 55.419 . . . . . . . . 43 L CA . 50994 1 134 . 1 . 1 43 43 LEU CB C 13 38.733 . . . . . . . . 43 L CB . 50994 1 135 . 1 . 1 43 43 LEU N N 15 123.388 . . . . . . . . 43 L N . 50994 1 136 . 1 . 1 44 44 ILE H H 1 8.028 . . . . . . . . 44 I HN . 50994 1 137 . 1 . 1 44 44 ILE C C 13 175.204 . . . . . . . . 44 I C . 50994 1 138 . 1 . 1 44 44 ILE CA C 13 62.285 . . . . . . . . 44 I CA . 50994 1 139 . 1 . 1 44 44 ILE CB C 13 34.479 . . . . . . . . 44 I CB . 50994 1 140 . 1 . 1 44 44 ILE N N 15 119.491 . . . . . . . . 44 I N . 50994 1 141 . 1 . 1 45 45 CYS H H 1 8.294 . . . . . . . . 45 C HN . 50994 1 142 . 1 . 1 45 45 CYS C C 13 174.487 . . . . . . . . 45 C C . 50994 1 143 . 1 . 1 45 45 CYS CA C 13 61.704 . . . . . . . . 45 C CA . 50994 1 144 . 1 . 1 45 45 CYS CB C 13 24.039 . . . . . . . . 45 C CB . 50994 1 145 . 1 . 1 45 45 CYS N N 15 117.468 . . . . . . . . 45 C N . 50994 1 146 . 1 . 1 46 46 ALA H H 1 7.758 . . . . . . . . 46 A HN . 50994 1 147 . 1 . 1 46 46 ALA C C 13 177.810 . . . . . . . . 46 A C . 50994 1 148 . 1 . 1 46 46 ALA CA C 13 52.095 . . . . . . . . 46 A CA . 50994 1 149 . 1 . 1 46 46 ALA CB C 13 15.148 . . . . . . . . 46 A CB . 50994 1 150 . 1 . 1 46 46 ALA N N 15 122.279 . . . . . . . . 46 A N . 50994 1 151 . 1 . 1 47 47 LEU H H 1 7.973 . . . . . . . . 47 L HN . 50994 1 152 . 1 . 1 47 47 LEU C C 13 176.128 . . . . . . . . 47 L C . 50994 1 153 . 1 . 1 47 47 LEU CA C 13 54.723 . . . . . . . . 47 L CA . 50994 1 154 . 1 . 1 47 47 LEU CB C 13 39.014 . . . . . . . . 47 L CB . 50994 1 155 . 1 . 1 47 47 LEU N N 15 119.994 . . . . . . . . 47 L N . 50994 1 156 . 1 . 1 48 48 ALA H H 1 8.210 . . . . . . . . 48 A HN . 50994 1 157 . 1 . 1 48 48 ALA C C 13 176.418 . . . . . . . . 48 A C . 50994 1 158 . 1 . 1 48 48 ALA CA C 13 51.911 . . . . . . . . 48 A CA . 50994 1 159 . 1 . 1 48 48 ALA CB C 13 15.627 . . . . . . . . 48 A CB . 50994 1 160 . 1 . 1 48 48 ALA N N 15 120.674 . . . . . . . . 48 A N . 50994 1 161 . 1 . 1 49 49 GLY H H 1 7.973 . . . . . . . . 49 G HN . 50994 1 162 . 1 . 1 49 49 GLY C C 13 173.096 . . . . . . . . 49 G C . 50994 1 163 . 1 . 1 49 49 GLY CA C 13 43.897 . . . . . . . . 49 G CA . 50994 1 164 . 1 . 1 49 49 GLY N N 15 104.914 . . . . . . . . 49 G N . 50994 1 165 . 1 . 1 50 50 GLY H H 1 7.881 . . . . . . . . 50 G HN . 50994 1 166 . 1 . 1 50 50 GLY C C 13 172.131 . . . . . . . . 50 G C . 50994 1 167 . 1 . 1 50 50 GLY CA C 13 43.237 . . . . . . . . 50 G CA . 50994 1 168 . 1 . 1 50 50 GLY N N 15 108.449 . . . . . . . . 50 G N . 50994 1 169 . 1 . 1 51 51 PHE H H 1 7.778 . . . . . . . . 51 F HN . 50994 1 170 . 1 . 1 51 51 PHE C C 13 173.233 . . . . . . . . 51 F C . 50994 1 171 . 1 . 1 51 51 PHE CA C 13 56.632 . . . . . . . . 51 F CA . 50994 1 172 . 1 . 1 51 51 PHE CB C 13 36.835 . . . . . . . . 51 F CB . 50994 1 173 . 1 . 1 51 51 PHE N N 15 120.900 . . . . . . . . 51 F N . 50994 1 174 . 1 . 1 52 52 ALA H H 1 7.950 . . . . . . . . 52 A HN . 50994 1 175 . 1 . 1 52 52 ALA C C 13 175.240 . . . . . . . . 52 A C . 50994 1 176 . 1 . 1 52 52 ALA CA C 13 50.346 . . . . . . . . 52 A CA . 50994 1 177 . 1 . 1 52 52 ALA CB C 13 16.084 . . . . . . . . 52 A CB . 50994 1 178 . 1 . 1 52 52 ALA N N 15 123.462 . . . . . . . . 52 A N . 50994 1 179 . 1 . 1 53 53 LYS H H 1 7.705 . . . . . . . . 53 K HN . 50994 1 180 . 1 . 1 53 53 LYS C C 13 173.888 . . . . . . . . 53 K C . 50994 1 181 . 1 . 1 53 53 LYS CA C 13 54.465 . . . . . . . . 53 K CA . 50994 1 182 . 1 . 1 53 53 LYS CB C 13 29.439 . . . . . . . . 53 K CB . 50994 1 183 . 1 . 1 53 53 LYS N N 15 118.746 . . . . . . . . 53 K N . 50994 1 184 . 1 . 1 54 54 ALA H H 1 7.719 . . . . . . . . 54 A HN . 50994 1 185 . 1 . 1 54 54 ALA C C 13 174.361 . . . . . . . . 54 A C . 50994 1 186 . 1 . 1 54 54 ALA CA C 13 50.213 . . . . . . . . 54 A CA . 50994 1 187 . 1 . 1 54 54 ALA CB C 13 16.292 . . . . . . . . 54 A CB . 50994 1 188 . 1 . 1 54 54 ALA N N 15 122.176 . . . . . . . . 54 A N . 50994 1 189 . 1 . 1 55 55 ASP H H 1 7.940 . . . . . . . . 55 D HN . 50994 1 190 . 1 . 1 55 55 ASP C C 13 173.073 . . . . . . . . 55 D C . 50994 1 191 . 1 . 1 55 55 ASP CA C 13 51.740 . . . . . . . . 55 D CA . 50994 1 192 . 1 . 1 55 55 ASP CB C 13 37.980 . . . . . . . . 55 D CB . 50994 1 193 . 1 . 1 55 55 ASP N N 15 118.607 . . . . . . . . 55 D N . 50994 1 194 . 1 . 1 56 56 ILE H H 1 7.653 . . . . . . . . 56 I HN . 50994 1 195 . 1 . 1 56 56 ILE C C 13 173.108 . . . . . . . . 56 I C . 50994 1 196 . 1 . 1 56 56 ILE CA C 13 58.516 . . . . . . . . 56 I CA . 50994 1 197 . 1 . 1 56 56 ILE CB C 13 35.914 . . . . . . . . 56 I CB . 50994 1 198 . 1 . 1 56 56 ILE N N 15 120.577 . . . . . . . . 56 I N . 50994 1 199 . 1 . 1 57 57 GLU H H 1 8.237 . . . . . . . . 57 E HN . 50994 1 200 . 1 . 1 57 57 GLU C C 13 173.704 . . . . . . . . 57 E C . 50994 1 201 . 1 . 1 57 57 GLU CA C 13 53.917 . . . . . . . . 57 E CA . 50994 1 202 . 1 . 1 57 57 GLU CB C 13 27.240 . . . . . . . . 57 E CB . 50994 1 203 . 1 . 1 57 57 GLU N N 15 125.223 . . . . . . . . 57 E N . 50994 1 204 . 1 . 1 58 58 MET H H 1 8.117 . . . . . . . . 58 M HN . 50994 1 205 . 1 . 1 58 58 MET C C 13 172.990 . . . . . . . . 58 M C . 50994 1 206 . 1 . 1 58 58 MET CA C 13 53.023 . . . . . . . . 58 M CA . 50994 1 207 . 1 . 1 58 58 MET CB C 13 29.843 . . . . . . . . 58 M CB . 50994 1 208 . 1 . 1 58 58 MET N N 15 121.032 . . . . . . . . 58 M N . 50994 1 209 . 1 . 1 59 59 ALA H H 1 7.995 . . . . . . . . 59 A HN . 50994 1 210 . 1 . 1 59 59 ALA C C 13 175.416 . . . . . . . . 59 A C . 50994 1 211 . 1 . 1 59 59 ALA CA C 13 50.774 . . . . . . . . 59 A CA . 50994 1 212 . 1 . 1 59 59 ALA CB C 13 16.406 . . . . . . . . 59 A CB . 50994 1 213 . 1 . 1 59 59 ALA N N 15 123.774 . . . . . . . . 59 A N . 50994 1 214 . 1 . 1 60 60 GLY H H 1 8.137 . . . . . . . . 60 G HN . 50994 1 215 . 1 . 1 60 60 GLY C C 13 171.095 . . . . . . . . 60 G C . 50994 1 216 . 1 . 1 60 60 GLY CA C 13 43.445 . . . . . . . . 60 G CA . 50994 1 217 . 1 . 1 60 60 GLY N N 15 107.646 . . . . . . . . 60 G N . 50994 1 218 . 1 . 1 61 61 PRO C C 13 175.682 . . . . . . . . 61 P C . 50994 1 219 . 1 . 1 61 61 PRO CA C 13 62.311 . . . . . . . . 61 P CA . 50994 1 220 . 1 . 1 61 61 PRO CB C 13 29.265 . . . . . . . . 61 P CB . 50994 1 221 . 1 . 1 62 62 MET H H 1 8.031 . . . . . . . . 62 M HN . 50994 1 222 . 1 . 1 62 62 MET C C 13 175.309 . . . . . . . . 62 M C . 50994 1 223 . 1 . 1 62 62 MET CA C 13 55.747 . . . . . . . . 62 M CA . 50994 1 224 . 1 . 1 62 62 MET CB C 13 28.936 . . . . . . . . 62 M CB . 50994 1 225 . 1 . 1 62 62 MET N N 15 115.669 . . . . . . . . 62 M N . 50994 1 226 . 1 . 1 63 63 ALA H H 1 7.858 . . . . . . . . 63 A HN . 50994 1 227 . 1 . 1 63 63 ALA C C 13 176.516 . . . . . . . . 63 A C . 50994 1 228 . 1 . 1 63 63 ALA CA C 13 52.845 . . . . . . . . 63 A CA . 50994 1 229 . 1 . 1 63 63 ALA CB C 13 15.187 . . . . . . . . 63 A CB . 50994 1 230 . 1 . 1 63 63 ALA N N 15 121.782 . . . . . . . . 63 A N . 50994 1 231 . 1 . 1 64 64 ALA H H 1 7.752 . . . . . . . . 64 A HN . 50994 1 232 . 1 . 1 64 64 ALA C C 13 178.175 . . . . . . . . 64 A C . 50994 1 233 . 1 . 1 64 64 ALA CA C 13 52.535 . . . . . . . . 64 A CA . 50994 1 234 . 1 . 1 64 64 ALA CB C 13 15.203 . . . . . . . . 64 A CB . 50994 1 235 . 1 . 1 64 64 ALA N N 15 119.228 . . . . . . . . 64 A N . 50994 1 236 . 1 . 1 65 65 VAL H H 1 7.851 . . . . . . . . 65 V HN . 50994 1 237 . 1 . 1 65 65 VAL C C 13 175.205 . . . . . . . . 65 V C . 50994 1 238 . 1 . 1 65 65 VAL CA C 13 63.611 . . . . . . . . 65 V CA . 50994 1 239 . 1 . 1 65 65 VAL CB C 13 28.593 . . . . . . . . 65 V CB . 50994 1 240 . 1 . 1 65 65 VAL N N 15 118.841 . . . . . . . . 65 V N . 50994 1 241 . 1 . 1 66 66 GLY H H 1 8.374 . . . . . . . . 66 G HN . 50994 1 242 . 1 . 1 66 66 GLY C C 13 172.160 . . . . . . . . 66 G C . 50994 1 243 . 1 . 1 66 66 GLY CA C 13 45.439 . . . . . . . . 66 G CA . 50994 1 244 . 1 . 1 66 66 GLY N N 15 107.693 . . . . . . . . 66 G N . 50994 1 245 . 1 . 1 67 67 LEU H H 1 8.119 . . . . . . . . 67 L HN . 50994 1 246 . 1 . 1 67 67 LEU C C 13 177.316 . . . . . . . . 67 L C . 50994 1 247 . 1 . 1 67 67 LEU CA C 13 55.310 . . . . . . . . 67 L CA . 50994 1 248 . 1 . 1 67 67 LEU CB C 13 38.235 . . . . . . . . 67 L CB . 50994 1 249 . 1 . 1 67 67 LEU N N 15 120.441 . . . . . . . . 67 L N . 50994 1 250 . 1 . 1 68 68 LEU H H 1 7.666 . . . . . . . . 68 L HN . 50994 1 251 . 1 . 1 68 68 LEU C C 13 176.885 . . . . . . . . 68 L C . 50994 1 252 . 1 . 1 68 68 LEU CA C 13 55.635 . . . . . . . . 68 L CA . 50994 1 253 . 1 . 1 68 68 LEU CB C 13 38.693 . . . . . . . . 68 L CB . 50994 1 254 . 1 . 1 68 68 LEU N N 15 122.345 . . . . . . . . 68 L N . 50994 1 255 . 1 . 1 69 69 ILE H H 1 8.110 . . . . . . . . 69 I HN . 50994 1 256 . 1 . 1 69 69 ILE C C 13 175.277 . . . . . . . . 69 I C . 50994 1 257 . 1 . 1 69 69 ILE CA C 13 63.182 . . . . . . . . 69 I CA . 50994 1 258 . 1 . 1 69 69 ILE CB C 13 34.776 . . . . . . . . 69 I CB . 50994 1 259 . 1 . 1 69 69 ILE N N 15 119.774 . . . . . . . . 69 I N . 50994 1 260 . 1 . 1 70 70 VAL H H 1 8.216 . . . . . . . . 70 V HN . 50994 1 261 . 1 . 1 70 70 VAL C C 13 174.886 . . . . . . . . 70 V C . 50994 1 262 . 1 . 1 70 70 VAL CA C 13 64.614 . . . . . . . . 70 V CA . 50994 1 263 . 1 . 1 70 70 VAL CB C 13 28.644 . . . . . . . . 70 V CB . 50994 1 264 . 1 . 1 70 70 VAL N N 15 118.378 . . . . . . . . 70 V N . 50994 1 265 . 1 . 1 71 71 SER H H 1 8.042 . . . . . . . . 71 S HN . 50994 1 266 . 1 . 1 71 71 SER C C 13 173.875 . . . . . . . . 71 S C . 50994 1 267 . 1 . 1 71 71 SER CA C 13 59.058 . . . . . . . . 71 S CA . 50994 1 268 . 1 . 1 71 71 SER CB C 13 60.412 . . . . . . . . 71 S CB . 50994 1 269 . 1 . 1 71 71 SER N N 15 113.651 . . . . . . . . 71 S N . 50994 1 270 . 1 . 1 72 72 TYR H H 1 7.960 . . . . . . . . 72 Y HN . 50994 1 271 . 1 . 1 72 72 TYR C C 13 175.481 . . . . . . . . 72 Y C . 50994 1 272 . 1 . 1 72 72 TYR CA C 13 58.975 . . . . . . . . 72 Y CA . 50994 1 273 . 1 . 1 72 72 TYR CB C 13 35.986 . . . . . . . . 72 Y CB . 50994 1 274 . 1 . 1 72 72 TYR N N 15 122.757 . . . . . . . . 72 Y N . 50994 1 275 . 1 . 1 73 73 VAL H H 1 8.162 . . . . . . . . 73 V HN . 50994 1 276 . 1 . 1 73 73 VAL C C 13 175.520 . . . . . . . . 73 V C . 50994 1 277 . 1 . 1 73 73 VAL CA C 13 63.395 . . . . . . . . 73 V CA . 50994 1 278 . 1 . 1 73 73 VAL CB C 13 29.019 . . . . . . . . 73 V CB . 50994 1 279 . 1 . 1 73 73 VAL N N 15 119.409 . . . . . . . . 73 V N . 50994 1 280 . 1 . 1 74 74 VAL H H 1 8.308 . . . . . . . . 74 V HN . 50994 1 281 . 1 . 1 74 74 VAL C C 13 174.785 . . . . . . . . 74 V C . 50994 1 282 . 1 . 1 74 74 VAL CA C 13 61.693 . . . . . . . . 74 V CA . 50994 1 283 . 1 . 1 74 74 VAL CB C 13 28.664 . . . . . . . . 74 V CB . 50994 1 284 . 1 . 1 74 74 VAL N N 15 116.078 . . . . . . . . 74 V N . 50994 1 285 . 1 . 1 75 75 SER H H 1 7.646 . . . . . . . . 75 S HN . 50994 1 286 . 1 . 1 75 75 SER C C 13 173.043 . . . . . . . . 75 S C . 50994 1 287 . 1 . 1 75 75 SER CA C 13 57.360 . . . . . . . . 75 S CA . 50994 1 288 . 1 . 1 75 75 SER CB C 13 61.212 . . . . . . . . 75 S CB . 50994 1 289 . 1 . 1 75 75 SER N N 15 115.130 . . . . . . . . 75 S N . 50994 1 290 . 1 . 1 76 76 GLY H H 1 7.982 . . . . . . . . 76 G HN . 50994 1 291 . 1 . 1 76 76 GLY C C 13 171.878 . . . . . . . . 76 G C . 50994 1 292 . 1 . 1 76 76 GLY CA C 13 43.204 . . . . . . . . 76 G CA . 50994 1 293 . 1 . 1 76 76 GLY N N 15 110.919 . . . . . . . . 76 G N . 50994 1 294 . 1 . 1 77 77 LYS H H 1 7.704 . . . . . . . . 77 K HN . 50994 1 295 . 1 . 1 77 77 LYS C C 13 173.281 . . . . . . . . 77 K C . 50994 1 296 . 1 . 1 77 77 LYS CA C 13 53.740 . . . . . . . . 77 K CA . 50994 1 297 . 1 . 1 77 77 LYS CB C 13 29.961 . . . . . . . . 77 K CB . 50994 1 298 . 1 . 1 77 77 LYS N N 15 120.187 . . . . . . . . 77 K N . 50994 1 299 . 1 . 1 78 78 SER H H 1 7.896 . . . . . . . . 78 S HN . 50994 1 300 . 1 . 1 78 78 SER C C 13 172.646 . . . . . . . . 78 S C . 50994 1 301 . 1 . 1 78 78 SER CA C 13 55.613 . . . . . . . . 78 S CA . 50994 1 302 . 1 . 1 78 78 SER CB C 13 61.761 . . . . . . . . 78 S CB . 50994 1 303 . 1 . 1 78 78 SER N N 15 114.718 . . . . . . . . 78 S N . 50994 1 304 . 1 . 1 79 79 VAL H H 1 8.152 . . . . . . . . 79 V HN . 50994 1 305 . 1 . 1 79 79 VAL C C 13 173.964 . . . . . . . . 79 V C . 50994 1 306 . 1 . 1 79 79 VAL CA C 13 61.598 . . . . . . . . 79 V CA . 50994 1 307 . 1 . 1 79 79 VAL CB C 13 28.997 . . . . . . . . 79 V CB . 50994 1 308 . 1 . 1 79 79 VAL N N 15 120.527 . . . . . . . . 79 V N . 50994 1 309 . 1 . 1 80 80 ASP H H 1 7.593 . . . . . . . . 80 D HN . 50994 1 310 . 1 . 1 80 80 ASP C C 13 176.925 . . . . . . . . 80 D C . 50994 1 311 . 1 . 1 80 80 ASP CA C 13 54.720 . . . . . . . . 80 D CA . 50994 1 312 . 1 . 1 80 80 ASP CB C 13 37.877 . . . . . . . . 80 D CB . 50994 1 313 . 1 . 1 80 80 ASP N N 15 119.955 . . . . . . . . 80 D N . 50994 1 314 . 1 . 1 82 82 TYR C C 13 173.782 . . . . . . . . 82 Y C . 50994 1 315 . 1 . 1 82 82 TYR CA C 13 57.468 . . . . . . . . 82 Y CA . 50994 1 316 . 1 . 1 82 82 TYR CB C 13 35.964 . . . . . . . . 82 Y CB . 50994 1 317 . 1 . 1 83 83 ILE H H 1 7.800 . . . . . . . . 83 I HN . 50994 1 318 . 1 . 1 83 83 ILE C C 13 174.890 . . . . . . . . 83 I C . 50994 1 319 . 1 . 1 83 83 ILE CA C 13 60.399 . . . . . . . . 83 I CA . 50994 1 320 . 1 . 1 83 83 ILE CB C 13 35.112 . . . . . . . . 83 I CB . 50994 1 321 . 1 . 1 83 83 ILE N N 15 119.852 . . . . . . . . 83 I N . 50994 1 322 . 1 . 1 84 84 GLU H H 1 8.002 . . . . . . . . 84 E HN . 50994 1 323 . 1 . 1 84 84 GLU C C 13 175.459 . . . . . . . . 84 E C . 50994 1 324 . 1 . 1 84 84 GLU CA C 13 55.928 . . . . . . . . 84 E CA . 50994 1 325 . 1 . 1 84 84 GLU CB C 13 26.562 . . . . . . . . 84 E CB . 50994 1 326 . 1 . 1 84 84 GLU N N 15 121.728 . . . . . . . . 84 E N . 50994 1 327 . 1 . 1 85 85 ARG H H 1 7.744 . . . . . . . . 85 R HN . 50994 1 328 . 1 . 1 85 85 ARG C C 13 174.673 . . . . . . . . 85 R C . 50994 1 329 . 1 . 1 85 85 ARG CA C 13 54.500 . . . . . . . . 85 R CA . 50994 1 330 . 1 . 1 85 85 ARG CB C 13 26.944 . . . . . . . . 85 R CB . 50994 1 331 . 1 . 1 85 85 ARG N N 15 119.036 . . . . . . . . 85 R N . 50994 1 332 . 1 . 1 86 86 ALA H H 1 7.961 . . . . . . . . 86 A HN . 50994 1 333 . 1 . 1 86 86 ALA C C 13 175.807 . . . . . . . . 86 A C . 50994 1 334 . 1 . 1 86 86 ALA CA C 13 51.269 . . . . . . . . 86 A CA . 50994 1 335 . 1 . 1 86 86 ALA CB C 13 15.583 . . . . . . . . 86 A CB . 50994 1 336 . 1 . 1 86 86 ALA N N 15 122.152 . . . . . . . . 86 A N . 50994 1 337 . 1 . 1 87 87 GLY H H 1 7.839 . . . . . . . . 87 G HN . 50994 1 338 . 1 . 1 87 87 GLY C C 13 171.505 . . . . . . . . 87 G C . 50994 1 339 . 1 . 1 87 87 GLY CA C 13 43.283 . . . . . . . . 87 G CA . 50994 1 340 . 1 . 1 87 87 GLY N N 15 105.223 . . . . . . . . 87 G N . 50994 1 341 . 1 . 1 88 88 ASP H H 1 7.786 . . . . . . . . 88 D HN . 50994 1 342 . 1 . 1 88 88 ASP C C 13 173.418 . . . . . . . . 88 D C . 50994 1 343 . 1 . 1 88 88 ASP CA C 13 51.819 . . . . . . . . 88 D CA . 50994 1 344 . 1 . 1 88 88 ASP CB C 13 38.582 . . . . . . . . 88 D CB . 50994 1 345 . 1 . 1 88 88 ASP N N 15 119.813 . . . . . . . . 88 D N . 50994 1 346 . 1 . 1 89 89 ILE H H 1 7.524 . . . . . . . . 89 I HN . 50994 1 347 . 1 . 1 89 89 ILE C C 13 173.184 . . . . . . . . 89 I C . 50994 1 348 . 1 . 1 89 89 ILE CA C 13 58.987 . . . . . . . . 89 I CA . 50994 1 349 . 1 . 1 89 89 ILE CB C 13 35.440 . . . . . . . . 89 I CB . 50994 1 350 . 1 . 1 89 89 ILE N N 15 121.345 . . . . . . . . 89 I N . 50994 1 351 . 1 . 1 90 90 THR H H 1 8.012 . . . . . . . . 90 T HN . 50994 1 352 . 1 . 1 90 90 THR C C 13 170.830 . . . . . . . . 90 T C . 50994 1 353 . 1 . 1 90 90 THR CA C 13 58.575 . . . . . . . . 90 T CA . 50994 1 354 . 1 . 1 90 90 THR CB C 13 67.536 . . . . . . . . 90 T CB . 50994 1 355 . 1 . 1 90 90 THR N N 15 119.129 . . . . . . . . 90 T N . 50994 1 356 . 1 . 1 91 91 TRP H H 1 7.952 . . . . . . . . 91 W HN . 50994 1 357 . 1 . 1 91 91 TRP C C 13 172.695 . . . . . . . . 91 W C . 50994 1 358 . 1 . 1 91 91 TRP CA C 13 54.465 . . . . . . . . 91 W CA . 50994 1 359 . 1 . 1 91 91 TRP CB C 13 27.264 . . . . . . . . 91 W CB . 50994 1 360 . 1 . 1 91 91 TRP N N 15 124.771 . . . . . . . . 91 W N . 50994 1 361 . 1 . 1 92 92 GLU C C 13 172.972 . . . . . . . . 92 E C . 50994 1 362 . 1 . 1 92 92 GLU CA C 13 53.394 . . . . . . . . 92 E CA . 50994 1 363 . 1 . 1 92 92 GLU CB C 13 27.542 . . . . . . . . 92 E CB . 50994 1 364 . 1 . 1 93 93 LYS H H 1 7.953 . . . . . . . . 93 K HN . 50994 1 365 . 1 . 1 93 93 LYS C C 13 173.598 . . . . . . . . 93 K C . 50994 1 366 . 1 . 1 93 93 LYS CA C 13 53.771 . . . . . . . . 93 K CA . 50994 1 367 . 1 . 1 93 93 LYS CB C 13 29.829 . . . . . . . . 93 K CB . 50994 1 368 . 1 . 1 93 93 LYS N N 15 123.280 . . . . . . . . 93 K N . 50994 1 369 . 1 . 1 94 94 ASP H H 1 8.247 . . . . . . . . 94 D HN . 50994 1 370 . 1 . 1 94 94 ASP C C 13 173.292 . . . . . . . . 94 D C . 50994 1 371 . 1 . 1 94 94 ASP CA C 13 51.784 . . . . . . . . 94 D CA . 50994 1 372 . 1 . 1 94 94 ASP CB C 13 38.456 . . . . . . . . 94 D CB . 50994 1 373 . 1 . 1 94 94 ASP N N 15 121.858 . . . . . . . . 94 D N . 50994 1 374 . 1 . 1 95 95 ALA H H 1 8.037 . . . . . . . . 95 A HN . 50994 1 375 . 1 . 1 95 95 ALA C C 13 175.197 . . . . . . . . 95 A C . 50994 1 376 . 1 . 1 95 95 ALA CA C 13 50.229 . . . . . . . . 95 A CA . 50994 1 377 . 1 . 1 95 95 ALA CB C 13 16.401 . . . . . . . . 95 A CB . 50994 1 378 . 1 . 1 95 95 ALA N N 15 124.852 . . . . . . . . 95 A N . 50994 1 379 . 1 . 1 96 96 GLU H H 1 8.278 . . . . . . . . 96 E HN . 50994 1 380 . 1 . 1 96 96 GLU C C 13 174.149 . . . . . . . . 96 E C . 50994 1 381 . 1 . 1 96 96 GLU CA C 13 54.222 . . . . . . . . 96 E CA . 50994 1 382 . 1 . 1 96 96 GLU CB C 13 26.950 . . . . . . . . 96 E CB . 50994 1 383 . 1 . 1 96 96 GLU N N 15 120.010 . . . . . . . . 96 E N . 50994 1 384 . 1 . 1 97 97 VAL H H 1 7.901 . . . . . . . . 97 V HN . 50994 1 385 . 1 . 1 97 97 VAL C C 13 173.848 . . . . . . . . 97 V C . 50994 1 386 . 1 . 1 97 97 VAL CA C 13 60.054 . . . . . . . . 97 V CA . 50994 1 387 . 1 . 1 97 97 VAL CB C 13 29.416 . . . . . . . . 97 V CB . 50994 1 388 . 1 . 1 97 97 VAL N N 15 120.629 . . . . . . . . 97 V N . 50994 1 389 . 1 . 1 98 98 THR H H 1 8.015 . . . . . . . . 98 T HN . 50994 1 390 . 1 . 1 98 98 THR C C 13 172.600 . . . . . . . . 98 T C . 50994 1 391 . 1 . 1 98 98 THR CA C 13 59.536 . . . . . . . . 98 T CA . 50994 1 392 . 1 . 1 98 98 THR CB C 13 67.242 . . . . . . . . 98 T CB . 50994 1 393 . 1 . 1 98 98 THR N N 15 116.113 . . . . . . . . 98 T N . 50994 1 394 . 1 . 1 99 99 GLY H H 1 8.192 . . . . . . . . 99 G HN . 50994 1 395 . 1 . 1 99 99 GLY C C 13 170.855 . . . . . . . . 99 G C . 50994 1 396 . 1 . 1 99 99 GLY CA C 13 42.756 . . . . . . . . 99 G CA . 50994 1 397 . 1 . 1 99 99 GLY N N 15 110.860 . . . . . . . . 99 G N . 50994 1 398 . 1 . 1 100 100 ASN H H 1 8.003 . . . . . . . . 100 N HN . 50994 1 399 . 1 . 1 100 100 ASN C C 13 173.264 . . . . . . . . 100 N C . 50994 1 400 . 1 . 1 100 100 ASN CA C 13 51.742 . . . . . . . . 100 N CA . 50994 1 401 . 1 . 1 100 100 ASN CB C 13 38.511 . . . . . . . . 100 N CB . 50994 1 402 . 1 . 1 100 100 ASN N N 15 120.605 . . . . . . . . 100 N N . 50994 1 403 . 1 . 1 102 102 PRO C C 13 173.230 . . . . . . . . 102 P C . 50994 1 404 . 1 . 1 102 102 PRO CA C 13 59.349 . . . . . . . . 102 P CA . 50994 1 405 . 1 . 1 102 102 PRO CB C 13 29.760 . . . . . . . . 102 P CB . 50994 1 406 . 1 . 1 103 103 ARG H H 1 8.375 . . . . . . . . 103 R HN . 50994 1 407 . 1 . 1 103 103 ARG C C 13 173.504 . . . . . . . . 103 R C . 50994 1 408 . 1 . 1 103 103 ARG CA C 13 53.496 . . . . . . . . 103 R CA . 50994 1 409 . 1 . 1 103 103 ARG CB C 13 27.532 . . . . . . . . 103 R CB . 50994 1 410 . 1 . 1 103 103 ARG N N 15 125.953 . . . . . . . . 103 R N . 50994 1 411 . 1 . 1 104 104 LEU H H 1 8.083 . . . . . . . . 104 L HN . 50994 1 412 . 1 . 1 104 104 LEU C C 13 174.107 . . . . . . . . 104 L C . 50994 1 413 . 1 . 1 104 104 LEU CA C 13 52.381 . . . . . . . . 104 L CA . 50994 1 414 . 1 . 1 104 104 LEU CB C 13 39.283 . . . . . . . . 104 L CB . 50994 1 415 . 1 . 1 104 104 LEU N N 15 123.366 . . . . . . . . 104 L N . 50994 1 416 . 1 . 1 105 105 ASP H H 1 8.235 . . . . . . . . 105 D HN . 50994 1 417 . 1 . 1 105 105 ASP C C 13 173.222 . . . . . . . . 105 D C . 50994 1 418 . 1 . 1 105 105 ASP CA C 13 51.715 . . . . . . . . 105 D CA . 50994 1 419 . 1 . 1 105 105 ASP CB C 13 38.337 . . . . . . . . 105 D CB . 50994 1 420 . 1 . 1 105 105 ASP N N 15 121.902 . . . . . . . . 105 D N . 50994 1 421 . 1 . 1 106 106 VAL H H 1 7.787 . . . . . . . . 106 V HN . 50994 1 422 . 1 . 1 106 106 VAL C C 13 172.911 . . . . . . . . 106 V C . 50994 1 423 . 1 . 1 106 106 VAL CA C 13 59.294 . . . . . . . . 106 V CA . 50994 1 424 . 1 . 1 106 106 VAL CB C 13 29.857 . . . . . . . . 106 V CB . 50994 1 425 . 1 . 1 106 106 VAL N N 15 120.145 . . . . . . . . 106 V N . 50994 1 426 . 1 . 1 107 107 ALA H H 1 8.218 . . . . . . . . 107 A HN . 50994 1 427 . 1 . 1 107 107 ALA C C 13 174.805 . . . . . . . . 107 A C . 50994 1 428 . 1 . 1 107 107 ALA CA C 13 49.623 . . . . . . . . 107 A CA . 50994 1 429 . 1 . 1 107 107 ALA CB C 13 16.157 . . . . . . . . 107 A CB . 50994 1 430 . 1 . 1 107 107 ALA N N 15 127.917 . . . . . . . . 107 A N . 50994 1 431 . 1 . 1 108 108 LEU H H 1 8.104 . . . . . . . . 108 L HN . 50994 1 432 . 1 . 1 108 108 LEU C C 13 174.456 . . . . . . . . 108 L C . 50994 1 433 . 1 . 1 108 108 LEU CA C 13 52.380 . . . . . . . . 108 L CA . 50994 1 434 . 1 . 1 108 108 LEU CB C 13 39.269 . . . . . . . . 108 L CB . 50994 1 435 . 1 . 1 108 108 LEU N N 15 122.366 . . . . . . . . 108 L N . 50994 1 436 . 1 . 1 109 109 ASP H H 1 8.208 . . . . . . . . 109 D HN . 50994 1 437 . 1 . 1 109 109 ASP C C 13 173.669 . . . . . . . . 109 D C . 50994 1 438 . 1 . 1 109 109 ASP CA C 13 51.777 . . . . . . . . 109 D CA . 50994 1 439 . 1 . 1 109 109 ASP CB C 13 38.446 . . . . . . . . 109 D CB . 50994 1 440 . 1 . 1 109 109 ASP N N 15 121.618 . . . . . . . . 109 D N . 50994 1 441 . 1 . 1 110 110 GLU H H 1 8.316 . . . . . . . . 110 E HN . 50994 1 442 . 1 . 1 110 110 GLU C C 13 174.048 . . . . . . . . 110 E C . 50994 1 443 . 1 . 1 110 110 GLU CA C 13 54.017 . . . . . . . . 110 E CA . 50994 1 444 . 1 . 1 110 110 GLU CB C 13 27.125 . . . . . . . . 110 E CB . 50994 1 445 . 1 . 1 110 110 GLU N N 15 122.476 . . . . . . . . 110 E N . 50994 1 446 . 1 . 1 111 111 SER H H 1 8.294 . . . . . . . . 111 S HN . 50994 1 447 . 1 . 1 111 111 SER C C 13 172.364 . . . . . . . . 111 S C . 50994 1 448 . 1 . 1 111 111 SER CA C 13 56.536 . . . . . . . . 111 S CA . 50994 1 449 . 1 . 1 111 111 SER CB C 13 61.614 . . . . . . . . 111 S CB . 50994 1 450 . 1 . 1 111 111 SER N N 15 117.169 . . . . . . . . 111 S N . 50994 1 451 . 1 . 1 112 112 GLY H H 1 8.236 . . . . . . . . 112 G HN . 50994 1 452 . 1 . 1 112 112 GLY C C 13 171.615 . . . . . . . . 112 G C . 50994 1 453 . 1 . 1 112 112 GLY CA C 13 43.026 . . . . . . . . 112 G CA . 50994 1 454 . 1 . 1 112 112 GLY N N 15 110.500 . . . . . . . . 112 G N . 50994 1 455 . 1 . 1 113 113 ASP H H 1 8.017 . . . . . . . . 113 D HN . 50994 1 456 . 1 . 1 113 113 ASP C C 13 173.306 . . . . . . . . 113 D C . 50994 1 457 . 1 . 1 113 113 ASP CA C 13 51.648 . . . . . . . . 113 D CA . 50994 1 458 . 1 . 1 113 113 ASP CB C 13 38.712 . . . . . . . . 113 D CB . 50994 1 459 . 1 . 1 113 113 ASP N N 15 121.074 . . . . . . . . 113 D N . 50994 1 460 . 1 . 1 114 114 PHE H H 1 8.073 . . . . . . . . 114 F HN . 50994 1 461 . 1 . 1 114 114 PHE C C 13 172.965 . . . . . . . . 114 F C . 50994 1 462 . 1 . 1 114 114 PHE CA C 13 55.170 . . . . . . . . 114 F CA . 50994 1 463 . 1 . 1 114 114 PHE CB C 13 36.553 . . . . . . . . 114 F CB . 50994 1 464 . 1 . 1 114 114 PHE N N 15 121.400 . . . . . . . . 114 F N . 50994 1 465 . 1 . 1 115 115 SER H H 1 8.068 . . . . . . . . 115 S HN . 50994 1 466 . 1 . 1 115 115 SER C C 13 171.237 . . . . . . . . 115 S C . 50994 1 467 . 1 . 1 115 115 SER CA C 13 55.581 . . . . . . . . 115 S CA . 50994 1 468 . 1 . 1 115 115 SER CB C 13 61.477 . . . . . . . . 115 S CB . 50994 1 469 . 1 . 1 115 115 SER N N 15 118.048 . . . . . . . . 115 S N . 50994 1 470 . 1 . 1 116 116 LEU H H 1 8.077 . . . . . . . . 116 L HN . 50994 1 471 . 1 . 1 116 116 LEU C C 13 174.277 . . . . . . . . 116 L C . 50994 1 472 . 1 . 1 116 116 LEU CA C 13 52.625 . . . . . . . . 116 L CA . 50994 1 473 . 1 . 1 116 116 LEU CB C 13 39.175 . . . . . . . . 116 L CB . 50994 1 474 . 1 . 1 116 116 LEU N N 15 124.682 . . . . . . . . 116 L N . 50994 1 475 . 1 . 1 117 117 VAL H H 1 7.967 . . . . . . . . 117 V HN . 50994 1 476 . 1 . 1 117 117 VAL C C 13 173.265 . . . . . . . . 117 V C . 50994 1 477 . 1 . 1 117 117 VAL CA C 13 59.316 . . . . . . . . 117 V CA . 50994 1 478 . 1 . 1 117 117 VAL CB C 13 29.820 . . . . . . . . 117 V CB . 50994 1 479 . 1 . 1 117 117 VAL N N 15 122.100 . . . . . . . . 117 V N . 50994 1 480 . 1 . 1 118 118 GLU H H 1 8.296 . . . . . . . . 118 E HN . 50994 1 481 . 1 . 1 118 118 GLU C C 13 174.015 . . . . . . . . 118 E C . 50994 1 482 . 1 . 1 118 118 GLU CA C 13 53.649 . . . . . . . . 118 E CA . 50994 1 483 . 1 . 1 118 118 GLU CB C 13 27.598 . . . . . . . . 118 E CB . 50994 1 484 . 1 . 1 118 118 GLU N N 15 124.939 . . . . . . . . 118 E N . 50994 1 485 . 1 . 1 119 119 GLU H H 1 8.215 . . . . . . . . 119 E HN . 50994 1 486 . 1 . 1 119 119 GLU C C 13 173.510 . . . . . . . . 119 E C . 50994 1 487 . 1 . 1 119 119 GLU CA C 13 53.569 . . . . . . . . 119 E CA . 50994 1 488 . 1 . 1 119 119 GLU CB C 13 27.510 . . . . . . . . 119 E CB . 50994 1 489 . 1 . 1 119 119 GLU N N 15 121.257 . . . . . . . . 119 E N . 50994 1 490 . 1 . 1 120 120 ASP H H 1 8.357 . . . . . . . . 120 D HN . 50994 1 491 . 1 . 1 120 120 ASP C C 13 173.755 . . . . . . . . 120 D C . 50994 1 492 . 1 . 1 120 120 ASP CA C 13 51.956 . . . . . . . . 120 D CA . 50994 1 493 . 1 . 1 120 120 ASP CB C 13 38.721 . . . . . . . . 120 D CB . 50994 1 494 . 1 . 1 120 120 ASP N N 15 122.644 . . . . . . . . 120 D N . 50994 1 495 . 1 . 1 121 121 GLY H H 1 8.127 . . . . . . . . 121 G HN . 50994 1 496 . 1 . 1 121 121 GLY C C 13 168.620 . . . . . . . . 121 G C . 50994 1 497 . 1 . 1 121 121 GLY CA C 13 41.829 . . . . . . . . 121 G CA . 50994 1 498 . 1 . 1 121 121 GLY N N 15 109.500 . . . . . . . . 121 G N . 50994 1 499 . 1 . 1 123 123 PRO C C 13 174.980 . . . . . . . . 123 P C . 50994 1 500 . 1 . 1 123 123 PRO CA C 13 59.949 . . . . . . . . 123 P CA . 50994 1 501 . 1 . 1 123 123 PRO CB C 13 28.898 . . . . . . . . 123 P CB . 50994 1 502 . 1 . 1 124 124 MET H H 1 8.528 . . . . . . . . 124 M HN . 50994 1 503 . 1 . 1 124 124 MET C C 13 175.420 . . . . . . . . 124 M C . 50994 1 504 . 1 . 1 124 124 MET CA C 13 55.660 . . . . . . . . 124 M CA . 50994 1 505 . 1 . 1 124 124 MET CB C 13 28.867 . . . . . . . . 124 M CB . 50994 1 506 . 1 . 1 124 124 MET N N 15 122.503 . . . . . . . . 124 M N . 50994 1 507 . 1 . 1 125 125 ARG H H 1 8.352 . . . . . . . . 125 R HN . 50994 1 508 . 1 . 1 125 125 ARG C C 13 173.714 . . . . . . . . 125 R C . 50994 1 509 . 1 . 1 125 125 ARG CA C 13 57.063 . . . . . . . . 125 R CA . 50994 1 510 . 1 . 1 125 125 ARG CB C 13 26.342 . . . . . . . . 125 R CB . 50994 1 511 . 1 . 1 125 125 ARG N N 15 115.766 . . . . . . . . 125 R N . 50994 1 512 . 1 . 1 126 126 GLU H H 1 7.171 . . . . . . . . 126 E HN . 50994 1 513 . 1 . 1 126 126 GLU C C 13 176.039 . . . . . . . . 126 E C . 50994 1 514 . 1 . 1 126 126 GLU CA C 13 56.402 . . . . . . . . 126 E CA . 50994 1 515 . 1 . 1 126 126 GLU CB C 13 26.766 . . . . . . . . 126 E CB . 50994 1 516 . 1 . 1 126 126 GLU N N 15 117.656 . . . . . . . . 126 E N . 50994 1 517 . 1 . 1 127 127 ILE H H 1 7.413 . . . . . . . . 127 I HN . 50994 1 518 . 1 . 1 127 127 ILE C C 13 175.249 . . . . . . . . 127 I C . 50994 1 519 . 1 . 1 127 127 ILE CA C 13 61.742 . . . . . . . . 127 I CA . 50994 1 520 . 1 . 1 127 127 ILE CB C 13 34.687 . . . . . . . . 127 I CB . 50994 1 521 . 1 . 1 127 127 ILE N N 15 120.437 . . . . . . . . 127 I N . 50994 1 522 . 1 . 1 128 128 ILE H H 1 8.105 . . . . . . . . 128 I HN . 50994 1 523 . 1 . 1 128 128 ILE C C 13 174.629 . . . . . . . . 128 I C . 50994 1 524 . 1 . 1 128 128 ILE CA C 13 62.295 . . . . . . . . 128 I CA . 50994 1 525 . 1 . 1 128 128 ILE CB C 13 34.585 . . . . . . . . 128 I CB . 50994 1 526 . 1 . 1 128 128 ILE N N 15 118.282 . . . . . . . . 128 I N . 50994 1 527 . 1 . 1 129 129 LEU H H 1 7.739 . . . . . . . . 129 L HN . 50994 1 528 . 1 . 1 129 129 LEU C C 13 175.263 . . . . . . . . 129 L C . 50994 1 529 . 1 . 1 129 129 LEU CA C 13 55.775 . . . . . . . . 129 L CA . 50994 1 530 . 1 . 1 129 129 LEU CB C 13 38.240 . . . . . . . . 129 L CB . 50994 1 531 . 1 . 1 129 129 LEU N N 15 118.534 . . . . . . . . 129 L N . 50994 1 532 . 1 . 1 130 130 LYS H H 1 7.619 . . . . . . . . 130 K HN . 50994 1 533 . 1 . 1 130 130 LYS C C 13 176.626 . . . . . . . . 130 K C . 50994 1 534 . 1 . 1 130 130 LYS CA C 13 57.362 . . . . . . . . 130 K CA . 50994 1 535 . 1 . 1 130 130 LYS CB C 13 28.927 . . . . . . . . 130 K CB . 50994 1 536 . 1 . 1 130 130 LYS N N 15 116.976 . . . . . . . . 130 K N . 50994 1 537 . 1 . 1 131 131 VAL H H 1 7.838 . . . . . . . . 131 V HN . 50994 1 538 . 1 . 1 131 131 VAL C C 13 175.585 . . . . . . . . 131 V C . 50994 1 539 . 1 . 1 131 131 VAL CA C 13 63.644 . . . . . . . . 131 V CA . 50994 1 540 . 1 . 1 131 131 VAL CB C 13 36.430 . . . . . . . . 131 V CB . 50994 1 541 . 1 . 1 131 131 VAL N N 15 119.240 . . . . . . . . 131 V N . 50994 1 542 . 1 . 1 132 132 VAL H H 1 7.879 . . . . . . . . 132 V HN . 50994 1 543 . 1 . 1 132 132 VAL C C 13 174.850 . . . . . . . . 132 V C . 50994 1 544 . 1 . 1 132 132 VAL CA C 13 59.933 . . . . . . . . 132 V CA . 50994 1 545 . 1 . 1 132 132 VAL CB C 13 29.530 . . . . . . . . 132 V CB . 50994 1 546 . 1 . 1 132 132 VAL N N 15 120.922 . . . . . . . . 132 V N . 50994 1 547 . 1 . 1 133 133 LEU C C 13 173.645 . . . . . . . . 133 L C . 50994 1 548 . 1 . 1 133 133 LEU CA C 13 52.201 . . . . . . . . 133 L CA . 50994 1 549 . 1 . 1 133 133 LEU CB C 13 37.963 . . . . . . . . 133 L CB . 50994 1 550 . 1 . 1 134 134 MET H H 1 7.572 . . . . . . . . 134 M HN . 50994 1 551 . 1 . 1 134 134 MET C C 13 173.011 . . . . . . . . 134 M C . 50994 1 552 . 1 . 1 134 134 MET CA C 13 59.711 . . . . . . . . 134 M CA . 50994 1 553 . 1 . 1 134 134 MET CB C 13 29.784 . . . . . . . . 134 M CB . 50994 1 554 . 1 . 1 134 134 MET N N 15 119.193 . . . . . . . . 134 M N . 50994 1 555 . 1 . 1 135 135 ALA H H 1 8.027 . . . . . . . . 135 A HN . 50994 1 556 . 1 . 1 135 135 ALA C C 13 174.878 . . . . . . . . 135 A C . 50994 1 557 . 1 . 1 135 135 ALA CA C 13 49.924 . . . . . . . . 135 A CA . 50994 1 558 . 1 . 1 135 135 ALA CB C 13 16.152 . . . . . . . . 135 A CB . 50994 1 559 . 1 . 1 135 135 ALA N N 15 126.275 . . . . . . . . 135 A N . 50994 1 560 . 1 . 1 136 136 ILE H H 1 8.009 . . . . . . . . 136 I HN . 50994 1 561 . 1 . 1 136 136 ILE C C 13 173.256 . . . . . . . . 136 I C . 50994 1 562 . 1 . 1 136 136 ILE CA C 13 59.993 . . . . . . . . 136 I CA . 50994 1 563 . 1 . 1 136 136 ILE CB C 13 38.527 . . . . . . . . 136 I CB . 50994 1 564 . 1 . 1 136 136 ILE N N 15 120.901 . . . . . . . . 136 I N . 50994 1 565 . 1 . 1 137 137 CYS C C 13 173.379 . . . . . . . . 137 C C . 50994 1 566 . 1 . 1 138 138 GLY H H 1 7.811 . . . . . . . . 138 G HN . 50994 1 567 . 1 . 1 138 138 GLY C C 13 171.693 . . . . . . . . 138 G C . 50994 1 568 . 1 . 1 138 138 GLY CA C 13 42.978 . . . . . . . . 138 G CA . 50994 1 569 . 1 . 1 138 138 GLY N N 15 108.375 . . . . . . . . 138 G N . 50994 1 570 . 1 . 1 139 139 MET H H 1 7.612 . . . . . . . . 139 M HN . 50994 1 571 . 1 . 1 139 139 MET C C 13 172.863 . . . . . . . . 139 M C . 50994 1 572 . 1 . 1 139 139 MET CA C 13 53.594 . . . . . . . . 139 M CA . 50994 1 573 . 1 . 1 139 139 MET CB C 13 29.995 . . . . . . . . 139 M CB . 50994 1 574 . 1 . 1 139 139 MET N N 15 119.910 . . . . . . . . 139 M N . 50994 1 575 . 1 . 1 140 140 ASN H H 1 8.096 . . . . . . . . 140 N HN . 50994 1 576 . 1 . 1 140 140 ASN C C 13 170.578 . . . . . . . . 140 N C . 50994 1 577 . 1 . 1 140 140 ASN CA C 13 49.257 . . . . . . . . 140 N CA . 50994 1 578 . 1 . 1 140 140 ASN CB C 13 36.271 . . . . . . . . 140 N CB . 50994 1 579 . 1 . 1 140 140 ASN N N 15 119.381 . . . . . . . . 140 N N . 50994 1 580 . 1 . 1 147 147 ALA C C 13 172.044 . . . . . . . . 147 A C . 50994 1 581 . 1 . 1 148 148 ALA H H 1 7.861 . . . . . . . . 148 A HN . 50994 1 582 . 1 . 1 148 148 ALA C C 13 176.467 . . . . . . . . 148 A C . 50994 1 583 . 1 . 1 148 148 ALA CA C 13 51.719 . . . . . . . . 148 A CA . 50994 1 584 . 1 . 1 148 148 ALA CB C 13 15.427 . . . . . . . . 148 A CB . 50994 1 585 . 1 . 1 148 148 ALA N N 15 123.013 . . . . . . . . 148 A N . 50994 1 586 . 1 . 1 149 149 GLY H H 1 8.086 . . . . . . . . 149 G HN . 50994 1 587 . 1 . 1 149 149 GLY C C 13 172.440 . . . . . . . . 149 G C . 50994 1 588 . 1 . 1 149 149 GLY CA C 13 44.054 . . . . . . . . 149 G CA . 50994 1 589 . 1 . 1 149 149 GLY N N 15 106.103 . . . . . . . . 149 G N . 50994 1 590 . 1 . 1 150 150 ALA C C 13 175.340 . . . . . . . . 150 A C . 50994 1 591 . 1 . 1 150 150 ALA CA C 13 55.818 . . . . . . . . 150 A CA . 50994 1 592 . 1 . 1 151 151 TRP H H 1 7.463 . . . . . . . . 151 W HN . 50994 1 593 . 1 . 1 151 151 TRP C C 13 173.964 . . . . . . . . 151 W C . 50994 1 594 . 1 . 1 151 151 TRP CA C 13 62.398 . . . . . . . . 151 W CA . 50994 1 595 . 1 . 1 151 151 TRP CB C 13 28.746 . . . . . . . . 151 W CB . 50994 1 596 . 1 . 1 151 151 TRP N N 15 118.120 . . . . . . . . 151 W N . 50994 1 597 . 1 . 1 152 152 TYR H H 1 8.200 . . . . . . . . 152 Y HN . 50994 1 598 . 1 . 1 152 152 TYR C C 13 174.777 . . . . . . . . 152 Y C . 50994 1 599 . 1 . 1 152 152 TYR CA C 13 53.879 . . . . . . . . 152 Y CA . 50994 1 600 . 1 . 1 152 152 TYR CB C 13 37.476 . . . . . . . . 152 Y CB . 50994 1 601 . 1 . 1 152 152 TYR N N 15 120.499 . . . . . . . . 152 Y N . 50994 1 602 . 1 . 1 153 153 VAL H H 1 7.830 . . . . . . . . 153 V HN . 50994 1 603 . 1 . 1 153 153 VAL C C 13 174.444 . . . . . . . . 153 V C . 50994 1 604 . 1 . 1 153 153 VAL CA C 13 55.034 . . . . . . . . 153 V CA . 50994 1 605 . 1 . 1 153 153 VAL CB C 13 29.252 . . . . . . . . 153 V CB . 50994 1 606 . 1 . 1 153 153 VAL N N 15 118.647 . . . . . . . . 153 V N . 50994 1 607 . 1 . 1 154 154 TYR H H 1 7.666 . . . . . . . . 154 Y HN . 50994 1 608 . 1 . 1 154 154 TYR C C 13 173.783 . . . . . . . . 154 Y C . 50994 1 609 . 1 . 1 154 154 TYR CA C 13 55.224 . . . . . . . . 154 Y CA . 50994 1 610 . 1 . 1 154 154 TYR CB C 13 35.933 . . . . . . . . 154 Y CB . 50994 1 611 . 1 . 1 154 154 TYR N N 15 119.570 . . . . . . . . 154 Y N . 50994 1 612 . 1 . 1 155 155 VAL H H 1 7.918 . . . . . . . . 155 V HN . 50994 1 613 . 1 . 1 155 155 VAL C C 13 174.631 . . . . . . . . 155 V C . 50994 1 614 . 1 . 1 155 155 VAL CA C 13 62.762 . . . . . . . . 155 V CA . 50994 1 615 . 1 . 1 155 155 VAL CB C 13 28.935 . . . . . . . . 155 V CB . 50994 1 616 . 1 . 1 155 155 VAL N N 15 118.059 . . . . . . . . 155 V N . 50994 1 617 . 1 . 1 156 156 LYS H H 1 7.789 . . . . . . . . 156 K HN . 50994 1 618 . 1 . 1 156 156 LYS C C 13 175.162 . . . . . . . . 156 K C . 50994 1 619 . 1 . 1 156 156 LYS CA C 13 54.934 . . . . . . . . 156 K CA . 50994 1 620 . 1 . 1 156 156 LYS CB C 13 28.935 . . . . . . . . 156 K CB . 50994 1 621 . 1 . 1 156 156 LYS N N 15 119.395 . . . . . . . . 156 K N . 50994 1 622 . 1 . 1 157 157 THR H H 1 7.695 . . . . . . . . 157 T HN . 50994 1 623 . 1 . 1 157 157 THR C C 13 172.985 . . . . . . . . 157 T C . 50994 1 624 . 1 . 1 157 157 THR CA C 13 60.429 . . . . . . . . 157 T CA . 50994 1 625 . 1 . 1 157 157 THR CB C 13 67.584 . . . . . . . . 157 T CB . 50994 1 626 . 1 . 1 157 157 THR N N 15 110.660 . . . . . . . . 157 T N . 50994 1 627 . 1 . 1 158 158 GLY H H 1 7.890 . . . . . . . . 158 G HN . 50994 1 628 . 1 . 1 158 158 GLY C C 13 171.336 . . . . . . . . 158 G C . 50994 1 629 . 1 . 1 158 158 GLY CA C 13 43.131 . . . . . . . . 158 G CA . 50994 1 630 . 1 . 1 158 158 GLY N N 15 110.552 . . . . . . . . 158 G N . 50994 1 631 . 1 . 1 159 159 LYS H H 1 7.717 . . . . . . . . 159 K HN . 50994 1 632 . 1 . 1 159 159 LYS C C 13 173.077 . . . . . . . . 159 K C . 50994 1 633 . 1 . 1 159 159 LYS CA C 13 53.798 . . . . . . . . 159 K CA . 50994 1 634 . 1 . 1 159 159 LYS CB C 13 29.845 . . . . . . . . 159 K CB . 50994 1 635 . 1 . 1 159 159 LYS N N 15 120.227 . . . . . . . . 159 K N . 50994 1 636 . 1 . 1 160 160 ARG H H 1 7.632 . . . . . . . . 160 R HN . 50994 1 637 . 1 . 1 160 160 ARG C C 13 178.488 . . . . . . . . 160 R C . 50994 1 638 . 1 . 1 160 160 ARG CA C 13 54.923 . . . . . . . . 160 R CA . 50994 1 639 . 1 . 1 160 160 ARG CB C 13 28.248 . . . . . . . . 160 R CB . 50994 1 640 . 1 . 1 160 160 ARG N N 15 126.340 . . . . . . . . 160 R N . 50994 1 stop_ save_