data_51402 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51402 _Entry.Title ; Bacillus subtilis SepF protein assembly (wild type) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-19 _Entry.Accession_date 2022-04-19 _Entry.Last_release_date 2022-04-19 _Entry.Original_release_date 2022-04-19 _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 solid-state _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 ; Through a series of solid-state NMR experiments, we assigned chemical shifts of the SepF truncation (57-151) of the protein assembly associated with bacterial division. 72 residues of 95 residues (~76%) of SepF 57-151 were assigned in its assembly including all the carbon and nitrogen atoms (N, CO, CA, CB, CG, CD, CE, NE). ; _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 Wenjing Liu . . . . 51402 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Innovation Academy for Precision Measurement Science and Technology, CAS' . 51402 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51402 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 51402 '15N chemical shifts' 79 51402 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 4 . . 2023-01-11 2022-04-19 update author 'update assignment' 51402 3 . . 2023-01-10 2022-04-19 update author 'update assignment' 51402 2 . . 2022-10-10 2022-04-19 update BMRB 'update entry citation' 51402 1 . . 2022-07-11 2022-04-19 original author 'original release' 51402 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51402 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35799411 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Insights into the Interaction between Bacillus subtilis SepF Assembly and FtsZ by Solid-State NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full . _Citation.Journal_volume 126 _Citation.Journal_issue 28 _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 5219 _Citation.Page_last 5230 _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 Chang Zhang C. . . . 51402 1 2 Wenjing Liu W. . . . 51402 1 3 Jing Deng J. . . . 51402 1 4 Shaojie Ma S. . . . 51402 1 5 Ziwei Chang Z. . . . 51402 1 6 Jun Yang J. . . . 51402 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51402 _Assembly.ID 1 _Assembly.Name 'SepF protein self-assembly' _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 'SepF monomer' 1 $entity_1 . . yes native no no . . . 51402 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51402 _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 ; MSMKNKLKNFFSMEDEEYEY EYIETERESHEEHEQKEKPA YNGNKPAGKQNVVSLQSVQK SSKVVLSEPRVYAEAQEIAD HLKNRRAVVVNLQRIQHDQA KRIVDFLSGTVYAIGGDIQR IGSDIFLCTPDNVDVSGTIS ELISEDEHQRW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Residues 1-151 are shown in the upper box. The samples detected by solid-state NMR experiments are SepF truncations of 57-151. ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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_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 . 51402 1 2 . SER . 51402 1 3 . MET . 51402 1 4 . LYS . 51402 1 5 . ASN . 51402 1 6 . LYS . 51402 1 7 . LEU . 51402 1 8 . LYS . 51402 1 9 . ASN . 51402 1 10 . PHE . 51402 1 11 . PHE . 51402 1 12 . SER . 51402 1 13 . MET . 51402 1 14 . GLU . 51402 1 15 . ASP . 51402 1 16 . GLU . 51402 1 17 . GLU . 51402 1 18 . TYR . 51402 1 19 . GLU . 51402 1 20 . TYR . 51402 1 21 . GLU . 51402 1 22 . TYR . 51402 1 23 . ILE . 51402 1 24 . GLU . 51402 1 25 . THR . 51402 1 26 . GLU . 51402 1 27 . ARG . 51402 1 28 . GLU . 51402 1 29 . SER . 51402 1 30 . HIS . 51402 1 31 . GLU . 51402 1 32 . GLU . 51402 1 33 . HIS . 51402 1 34 . GLU . 51402 1 35 . GLN . 51402 1 36 . LYS . 51402 1 37 . GLU . 51402 1 38 . LYS . 51402 1 39 . PRO . 51402 1 40 . ALA . 51402 1 41 . TYR . 51402 1 42 . ASN . 51402 1 43 . GLY . 51402 1 44 . ASN . 51402 1 45 . LYS . 51402 1 46 . PRO . 51402 1 47 . ALA . 51402 1 48 . GLY . 51402 1 49 . LYS . 51402 1 50 . GLN . 51402 1 51 . ASN . 51402 1 52 . VAL . 51402 1 53 . VAL . 51402 1 54 . SER . 51402 1 55 . LEU . 51402 1 56 . GLN . 51402 1 57 . SER . 51402 1 58 . VAL . 51402 1 59 . GLN . 51402 1 60 . LYS . 51402 1 61 . SER . 51402 1 62 . SER . 51402 1 63 . LYS . 51402 1 64 . VAL . 51402 1 65 . VAL . 51402 1 66 . LEU . 51402 1 67 . SER . 51402 1 68 . GLU . 51402 1 69 . PRO . 51402 1 70 . ARG . 51402 1 71 . VAL . 51402 1 72 . TYR . 51402 1 73 . ALA . 51402 1 74 . GLU . 51402 1 75 . ALA . 51402 1 76 . GLN . 51402 1 77 . GLU . 51402 1 78 . ILE . 51402 1 79 . ALA . 51402 1 80 . ASP . 51402 1 81 . HIS . 51402 1 82 . LEU . 51402 1 83 . LYS . 51402 1 84 . ASN . 51402 1 85 . ARG . 51402 1 86 . ARG . 51402 1 87 . ALA . 51402 1 88 . VAL . 51402 1 89 . VAL . 51402 1 90 . VAL . 51402 1 91 . ASN . 51402 1 92 . LEU . 51402 1 93 . GLN . 51402 1 94 . ARG . 51402 1 95 . ILE . 51402 1 96 . GLN . 51402 1 97 . HIS . 51402 1 98 . ASP . 51402 1 99 . GLN . 51402 1 100 . ALA . 51402 1 101 . LYS . 51402 1 102 . ARG . 51402 1 103 . ILE . 51402 1 104 . VAL . 51402 1 105 . ASP . 51402 1 106 . PHE . 51402 1 107 . LEU . 51402 1 108 . SER . 51402 1 109 . GLY . 51402 1 110 . THR . 51402 1 111 . VAL . 51402 1 112 . TYR . 51402 1 113 . ALA . 51402 1 114 . ILE . 51402 1 115 . GLY . 51402 1 116 . GLY . 51402 1 117 . ASP . 51402 1 118 . ILE . 51402 1 119 . GLN . 51402 1 120 . ARG . 51402 1 121 . ILE . 51402 1 122 . GLY . 51402 1 123 . SER . 51402 1 124 . ASP . 51402 1 125 . ILE . 51402 1 126 . PHE . 51402 1 127 . LEU . 51402 1 128 . CYS . 51402 1 129 . THR . 51402 1 130 . PRO . 51402 1 131 . ASP . 51402 1 132 . ASN . 51402 1 133 . VAL . 51402 1 134 . ASP . 51402 1 135 . VAL . 51402 1 136 . SER . 51402 1 137 . GLY . 51402 1 138 . THR . 51402 1 139 . ILE . 51402 1 140 . SER . 51402 1 141 . GLU . 51402 1 142 . LEU . 51402 1 143 . ILE . 51402 1 144 . SER . 51402 1 145 . GLU . 51402 1 146 . ASP . 51402 1 147 . GLU . 51402 1 148 . HIS . 51402 1 149 . GLN . 51402 1 150 . ARG . 51402 1 151 . TRP . 51402 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 51402 1 . SER 2 2 51402 1 . MET 3 3 51402 1 . LYS 4 4 51402 1 . ASN 5 5 51402 1 . LYS 6 6 51402 1 . LEU 7 7 51402 1 . LYS 8 8 51402 1 . ASN 9 9 51402 1 . PHE 10 10 51402 1 . PHE 11 11 51402 1 . SER 12 12 51402 1 . MET 13 13 51402 1 . GLU 14 14 51402 1 . ASP 15 15 51402 1 . GLU 16 16 51402 1 . GLU 17 17 51402 1 . TYR 18 18 51402 1 . GLU 19 19 51402 1 . TYR 20 20 51402 1 . GLU 21 21 51402 1 . TYR 22 22 51402 1 . ILE 23 23 51402 1 . GLU 24 24 51402 1 . THR 25 25 51402 1 . GLU 26 26 51402 1 . ARG 27 27 51402 1 . GLU 28 28 51402 1 . SER 29 29 51402 1 . HIS 30 30 51402 1 . GLU 31 31 51402 1 . GLU 32 32 51402 1 . HIS 33 33 51402 1 . GLU 34 34 51402 1 . GLN 35 35 51402 1 . LYS 36 36 51402 1 . GLU 37 37 51402 1 . LYS 38 38 51402 1 . PRO 39 39 51402 1 . ALA 40 40 51402 1 . TYR 41 41 51402 1 . ASN 42 42 51402 1 . GLY 43 43 51402 1 . ASN 44 44 51402 1 . LYS 45 45 51402 1 . PRO 46 46 51402 1 . ALA 47 47 51402 1 . GLY 48 48 51402 1 . LYS 49 49 51402 1 . GLN 50 50 51402 1 . ASN 51 51 51402 1 . VAL 52 52 51402 1 . VAL 53 53 51402 1 . SER 54 54 51402 1 . LEU 55 55 51402 1 . GLN 56 56 51402 1 . SER 57 57 51402 1 . VAL 58 58 51402 1 . GLN 59 59 51402 1 . LYS 60 60 51402 1 . SER 61 61 51402 1 . SER 62 62 51402 1 . LYS 63 63 51402 1 . VAL 64 64 51402 1 . VAL 65 65 51402 1 . LEU 66 66 51402 1 . SER 67 67 51402 1 . GLU 68 68 51402 1 . PRO 69 69 51402 1 . ARG 70 70 51402 1 . VAL 71 71 51402 1 . TYR 72 72 51402 1 . ALA 73 73 51402 1 . GLU 74 74 51402 1 . ALA 75 75 51402 1 . GLN 76 76 51402 1 . GLU 77 77 51402 1 . ILE 78 78 51402 1 . ALA 79 79 51402 1 . ASP 80 80 51402 1 . HIS 81 81 51402 1 . LEU 82 82 51402 1 . LYS 83 83 51402 1 . ASN 84 84 51402 1 . ARG 85 85 51402 1 . ARG 86 86 51402 1 . ALA 87 87 51402 1 . VAL 88 88 51402 1 . VAL 89 89 51402 1 . VAL 90 90 51402 1 . ASN 91 91 51402 1 . LEU 92 92 51402 1 . GLN 93 93 51402 1 . ARG 94 94 51402 1 . ILE 95 95 51402 1 . GLN 96 96 51402 1 . HIS 97 97 51402 1 . ASP 98 98 51402 1 . GLN 99 99 51402 1 . ALA 100 100 51402 1 . LYS 101 101 51402 1 . ARG 102 102 51402 1 . ILE 103 103 51402 1 . VAL 104 104 51402 1 . ASP 105 105 51402 1 . PHE 106 106 51402 1 . LEU 107 107 51402 1 . SER 108 108 51402 1 . GLY 109 109 51402 1 . THR 110 110 51402 1 . VAL 111 111 51402 1 . TYR 112 112 51402 1 . ALA 113 113 51402 1 . ILE 114 114 51402 1 . GLY 115 115 51402 1 . GLY 116 116 51402 1 . ASP 117 117 51402 1 . ILE 118 118 51402 1 . GLN 119 119 51402 1 . ARG 120 120 51402 1 . ILE 121 121 51402 1 . GLY 122 122 51402 1 . SER 123 123 51402 1 . ASP 124 124 51402 1 . ILE 125 125 51402 1 . PHE 126 126 51402 1 . LEU 127 127 51402 1 . CYS 128 128 51402 1 . THR 129 129 51402 1 . PRO 130 130 51402 1 . ASP 131 131 51402 1 . ASN 132 132 51402 1 . VAL 133 133 51402 1 . ASP 134 134 51402 1 . VAL 135 135 51402 1 . SER 136 136 51402 1 . GLY 137 137 51402 1 . THR 138 138 51402 1 . ILE 139 139 51402 1 . SER 140 140 51402 1 . GLU 141 141 51402 1 . LEU 142 142 51402 1 . ILE 143 143 51402 1 . SER 144 144 51402 1 . GLU 145 145 51402 1 . ASP 146 146 51402 1 . GLU 147 147 51402 1 . HIS 148 148 51402 1 . GLN 149 149 51402 1 . ARG 150 150 51402 1 . TRP 151 151 51402 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 51402 _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 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . sepF . 51402 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 51402 _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 . . . plasmid . . pET-21a . . . 51402 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51402 _Sample.ID 1 _Sample.Name '13C 15N SepF 57-151' _Sample.Type solid _Sample.Sub_type . _Sample.Details ; [U-13C, 15N]-labeled SepF 57-151 are prepared for the 2D and 3D assignment experiments including NCA, NcaCX, NCACX, NCOCX, CONCA .etc ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% H20' _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 'SepF 57-151' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 38.9 . . '% w/w' . . . . 51402 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 51402 _Sample_condition_list.ID 1 _Sample_condition_list.Name '273K (0)' _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 8.5 . pH 51402 1 pressure 1 . atm 51402 1 temperature 273 . K 51402 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51402 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51402 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51402 _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 'data analysis' . 51402 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51402 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51402 3 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 51402 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Varian VNMRS spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51402 _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 13C-detected NCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51402 1 2 '2D 13C-13C DARR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51402 1 3 NCACX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51402 1 4 NCOCX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51402 1 5 CONCA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51402 1 6 '2D NcaCX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51402 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 51402 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift 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 adamantane 'methyl carbon' . . . . ppm 40.48 external direct 1 . . . . . 51402 1 N 15 'liquid ammonia' nitrogen . . . . ppm 0 external direct 1 . . . . . 51402 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 51402 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SepF chemical shift assignments' _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 3 NCACX . . . 51402 1 4 NCOCX . . . 51402 1 5 CONCA . . . 51402 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 3 $software_3 . . 51402 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 63 63 LYS C C 13 175.8 . . . . . . . . 63 K CO . 51402 1 2 . 1 . 1 63 63 LYS CA C 13 55.0 . . . . . . . . 63 K CA . 51402 1 3 . 1 . 1 63 63 LYS CB C 13 36.4 . . . . . . . . 63 K CB . 51402 1 4 . 1 . 1 63 63 LYS CG C 13 25.3 . . . . . . . . 63 K CG . 51402 1 5 . 1 . 1 63 63 LYS CD C 13 29.6 . . . . . . . . 63 K CD . 51402 1 6 . 1 . 1 63 63 LYS N N 15 120.8 . . . . . . . . 63 K N . 51402 1 7 . 1 . 1 64 64 VAL C C 13 173.5 . . . . . . . . 64 V CO . 51402 1 8 . 1 . 1 64 64 VAL CA C 13 60.4 . . . . . . . . 64 V CA . 51402 1 9 . 1 . 1 64 64 VAL CB C 13 34.7 . . . . . . . . 64 V CB . 51402 1 10 . 1 . 1 64 64 VAL CG1 C 13 21.0 . . . . . . . . 64 V CG1 . 51402 1 11 . 1 . 1 64 64 VAL N N 15 124.7 . . . . . . . . 64 V N . 51402 1 12 . 1 . 1 65 65 VAL C C 13 174.0 . . . . . . . . 65 V CO . 51402 1 13 . 1 . 1 65 65 VAL CA C 13 60.5 . . . . . . . . 65 V CA . 51402 1 14 . 1 . 1 65 65 VAL CB C 13 33.7 . . . . . . . . 65 V CB . 51402 1 15 . 1 . 1 65 65 VAL CG1 C 13 22.4 . . . . . . . . 65 V CG1 . 51402 1 16 . 1 . 1 65 65 VAL CG2 C 13 21.4 . . . . . . . . 65 V CG2 . 51402 1 17 . 1 . 1 65 65 VAL N N 15 128.0 . . . . . . . . 65 V N . 51402 1 18 . 1 . 1 66 66 LEU C C 13 175.5 . . . . . . . . 66 L CO . 51402 1 19 . 1 . 1 66 66 LEU CA C 13 53.4 . . . . . . . . 66 L CA . 51402 1 20 . 1 . 1 66 66 LEU CB C 13 40.6 . . . . . . . . 66 L CB . 51402 1 21 . 1 . 1 66 66 LEU CG C 13 26.3 . . . . . . . . 66 L CG . 51402 1 22 . 1 . 1 66 66 LEU CD1 C 13 25.6 . . . . . . . . 66 L CD1 . 51402 1 23 . 1 . 1 66 66 LEU CD2 C 13 23.2 . . . . . . . . 66 L CD2 . 51402 1 24 . 1 . 1 66 66 LEU N N 15 126.0 . . . . . . . . 66 L N . 51402 1 25 . 1 . 1 67 67 SER C C 13 172.0 . . . . . . . . 67 S CO . 51402 1 26 . 1 . 1 67 67 SER CA C 13 57.7 . . . . . . . . 67 S CA . 51402 1 27 . 1 . 1 67 67 SER CB C 13 65.9 . . . . . . . . 67 S CB . 51402 1 28 . 1 . 1 67 67 SER N N 15 119.4 . . . . . . . . 67 S N . 51402 1 29 . 1 . 1 68 68 GLU C C 13 172.5 . . . . . . . . 68 E CO . 51402 1 30 . 1 . 1 68 68 GLU CA C 13 51.6 . . . . . . . . 68 E CA . 51402 1 31 . 1 . 1 68 68 GLU CB C 13 32.1 . . . . . . . . 68 E CB . 51402 1 32 . 1 . 1 68 68 GLU CG C 13 36.1 . . . . . . . . 68 E CG . 51402 1 33 . 1 . 1 68 68 GLU N N 15 129.0 . . . . . . . . 68 E N . 51402 1 34 . 1 . 1 69 69 PRO C C 13 175.7 . . . . . . . . 69 P CO . 51402 1 35 . 1 . 1 69 69 PRO CA C 13 62.9 . . . . . . . . 69 P CA . 51402 1 36 . 1 . 1 69 69 PRO CB C 13 32.8 . . . . . . . . 69 P CB . 51402 1 37 . 1 . 1 69 69 PRO CG C 13 27.8 . . . . . . . . 69 P CG . 51402 1 38 . 1 . 1 69 69 PRO CD C 13 49.2 . . . . . . . . 69 P CD . 51402 1 39 . 1 . 1 69 69 PRO N N 15 135.3 . . . . . . . . 69 P N . 51402 1 40 . 1 . 1 70 70 ARG C C 13 176.8 . . . . . . . . 70 R CO . 51402 1 41 . 1 . 1 70 70 ARG CA C 13 56.1 . . . . . . . . 70 R CA . 51402 1 42 . 1 . 1 70 70 ARG CB C 13 32.8 . . . . . . . . 70 R CB . 51402 1 43 . 1 . 1 70 70 ARG CG C 13 28.0 . . . . . . . . 70 R CG . 51402 1 44 . 1 . 1 70 70 ARG CD C 13 43.3 . . . . . . . . 70 R CD . 51402 1 45 . 1 . 1 70 70 ARG N N 15 118.1 . . . . . . . . 70 R N . 51402 1 46 . 1 . 1 71 71 VAL C C 13 175.9 . . . . . . . . 71 V CO . 51402 1 47 . 1 . 1 71 71 VAL CA C 13 58.9 . . . . . . . . 71 V CA . 51402 1 48 . 1 . 1 71 71 VAL CB C 13 36.5 . . . . . . . . 71 V CB . 51402 1 49 . 1 . 1 71 71 VAL CG1 C 13 22.7 . . . . . . . . 71 V CG1 . 51402 1 50 . 1 . 1 71 71 VAL CG2 C 13 19.0 . . . . . . . . 71 V CG2 . 51402 1 51 . 1 . 1 71 71 VAL N N 15 110.4 . . . . . . . . 71 V N . 51402 1 52 . 1 . 1 72 72 TYR C C 13 177.4 . . . . . . . . 72 Y CO . 51402 1 53 . 1 . 1 72 72 TYR CA C 13 60.1 . . . . . . . . 72 Y CA . 51402 1 54 . 1 . 1 72 72 TYR CB C 13 38.1 . . . . . . . . 72 Y CB . 51402 1 55 . 1 . 1 72 72 TYR CG C 13 127.6 . . . . . . . . 72 Y CG . 51402 1 56 . 1 . 1 72 72 TYR CD1 C 13 132.5 . . . . . . . . 72 Y CD# . 51402 1 57 . 1 . 1 72 72 TYR CD2 C 13 132.5 . . . . . . . . 72 Y CD# . 51402 1 58 . 1 . 1 72 72 TYR CE1 C 13 118.5 . . . . . . . . 72 Y CE# . 51402 1 59 . 1 . 1 72 72 TYR CE2 C 13 118.5 . . . . . . . . 72 Y CE# . 51402 1 60 . 1 . 1 72 72 TYR N N 15 124.3 . . . . . . . . 72 Y N . 51402 1 61 . 1 . 1 73 73 ALA C C 13 179.4 . . . . . . . . 73 A CO . 51402 1 62 . 1 . 1 73 73 ALA CA C 13 54.3 . . . . . . . . 73 A CA . 51402 1 63 . 1 . 1 73 73 ALA CB C 13 18.5 . . . . . . . . 73 A CB . 51402 1 64 . 1 . 1 73 73 ALA N N 15 119.9 . . . . . . . . 73 A N . 51402 1 65 . 1 . 1 74 74 GLU C C 13 177.9 . . . . . . . . 74 E CO . 51402 1 66 . 1 . 1 74 74 GLU CA C 13 58.7 . . . . . . . . 74 E CA . 51402 1 67 . 1 . 1 74 74 GLU CB C 13 30.2 . . . . . . . . 74 E CB . 51402 1 68 . 1 . 1 74 74 GLU CG C 13 38.9 . . . . . . . . 74 E CG . 51402 1 69 . 1 . 1 74 74 GLU CD C 13 183.3 . . . . . . . . 74 E CD . 51402 1 70 . 1 . 1 74 74 GLU N N 15 116.7 . . . . . . . . 74 E N . 51402 1 71 . 1 . 1 75 75 ALA C C 13 178.5 . . . . . . . . 75 A CO . 51402 1 72 . 1 . 1 75 75 ALA CA C 13 54.9 . . . . . . . . 75 A CA . 51402 1 73 . 1 . 1 75 75 ALA CB C 13 17.6 . . . . . . . . 75 A CB . 51402 1 74 . 1 . 1 75 75 ALA N N 15 122.1 . . . . . . . . 75 A N . 51402 1 75 . 1 . 1 76 76 GLN C C 13 176.7 . . . . . . . . 76 Q CO . 51402 1 76 . 1 . 1 76 76 GLN CA C 13 59.4 . . . . . . . . 76 Q CA . 51402 1 77 . 1 . 1 76 76 GLN CB C 13 28.0 . . . . . . . . 76 Q CB . 51402 1 78 . 1 . 1 76 76 GLN CG C 13 34.5 . . . . . . . . 76 Q CG . 51402 1 79 . 1 . 1 76 76 GLN CD C 13 179.5 . . . . . . . . 76 Q CD . 51402 1 80 . 1 . 1 76 76 GLN N N 15 115.7 . . . . . . . . 76 Q N . 51402 1 81 . 1 . 1 76 76 GLN NE2 N 15 111.1 . . . . . . . . 76 Q NE2 . 51402 1 82 . 1 . 1 77 77 GLU C C 13 179.2 . . . . . . . . 77 E CO . 51402 1 83 . 1 . 1 77 77 GLU CA C 13 58.8 . . . . . . . . 77 E CA . 51402 1 84 . 1 . 1 77 77 GLU CB C 13 29.4 . . . . . . . . 77 E CB . 51402 1 85 . 1 . 1 77 77 GLU CG C 13 36.4 . . . . . . . . 77 E CG . 51402 1 86 . 1 . 1 77 77 GLU CD C 13 176.6 . . . . . . . . 77 E CD . 51402 1 87 . 1 . 1 77 77 GLU N N 15 118.1 . . . . . . . . 77 E N . 51402 1 88 . 1 . 1 78 78 ILE C C 13 178.0 . . . . . . . . 78 I CO . 51402 1 89 . 1 . 1 78 78 ILE CA C 13 66.0 . . . . . . . . 78 I CA . 51402 1 90 . 1 . 1 78 78 ILE CB C 13 37.8 . . . . . . . . 78 I CB . 51402 1 91 . 1 . 1 78 78 ILE CG1 C 13 28.9 . . . . . . . . 78 I CG1 . 51402 1 92 . 1 . 1 78 78 ILE CG2 C 13 18.3 . . . . . . . . 78 I CG2 . 51402 1 93 . 1 . 1 78 78 ILE CD1 C 13 14.55 . . . . . . . . 78 I CD . 51402 1 94 . 1 . 1 78 78 ILE N N 15 119.4 . . . . . . . . 78 I N . 51402 1 95 . 1 . 1 79 79 ALA C C 13 179.3 . . . . . . . . 79 A CO . 51402 1 96 . 1 . 1 79 79 ALA CA C 13 55.5 . . . . . . . . 79 A CA . 51402 1 97 . 1 . 1 79 79 ALA CB C 13 19.5 . . . . . . . . 79 A CB . 51402 1 98 . 1 . 1 79 79 ALA N N 15 121.3 . . . . . . . . 79 A N . 51402 1 99 . 1 . 1 80 80 ASP C C 13 179.4 . . . . . . . . 80 D CO . 51402 1 100 . 1 . 1 80 80 ASP CA C 13 58.0 . . . . . . . . 80 D CA . 51402 1 101 . 1 . 1 80 80 ASP CB C 13 39.5 . . . . . . . . 80 D CB . 51402 1 102 . 1 . 1 80 80 ASP N N 15 119.5 . . . . . . . . 80 D N . 51402 1 103 . 1 . 1 81 81 HIS C C 13 178.8 . . . . . . . . 81 H CO . 51402 1 104 . 1 . 1 81 81 HIS CA C 13 60.6 . . . . . . . . 81 H CA . 51402 1 105 . 1 . 1 81 81 HIS CB C 13 30.8 . . . . . . . . 81 H CB . 51402 1 106 . 1 . 1 81 81 HIS CG C 13 138.4 . . . . . . . . 81 H CG . 51402 1 107 . 1 . 1 81 81 HIS CD2 C 13 118.4 . . . . . . . . 81 H CD2 . 51402 1 108 . 1 . 1 81 81 HIS CE1 C 13 136.4 . . . . . . . . 81 H CE1 . 51402 1 109 . 1 . 1 81 81 HIS N N 15 119.9 . . . . . . . . 81 H N . 51402 1 110 . 1 . 1 82 82 LEU C C 13 182.0 . . . . . . . . 82 L CO . 51402 1 111 . 1 . 1 82 82 LEU CA C 13 58.0 . . . . . . . . 82 L CA . 51402 1 112 . 1 . 1 82 82 LEU CB C 13 42.0 . . . . . . . . 82 L CB . 51402 1 113 . 1 . 1 82 82 LEU CG C 13 26.7 . . . . . . . . 82 L CG . 51402 1 114 . 1 . 1 82 82 LEU CD1 C 13 22.5 . . . . . . . . 82 L CD1 . 51402 1 115 . 1 . 1 82 82 LEU N N 15 121.4 . . . . . . . . 82 L N . 51402 1 116 . 1 . 1 83 83 LYS C C 13 177.1 . . . . . . . . 83 K CO . 51402 1 117 . 1 . 1 83 83 LYS CA C 13 59.4 . . . . . . . . 83 K CA . 51402 1 118 . 1 . 1 83 83 LYS CB C 13 32.0 . . . . . . . . 83 K CB . 51402 1 119 . 1 . 1 83 83 LYS CG C 13 25.2 . . . . . . . . 83 K CG . 51402 1 120 . 1 . 1 83 83 LYS CD C 13 30.3 . . . . . . . . 83 K CD . 51402 1 121 . 1 . 1 83 83 LYS CE C 13 41.5 . . . . . . . . 83 K CE . 51402 1 122 . 1 . 1 83 83 LYS N N 15 121.3 . . . . . . . . 83 K N . 51402 1 123 . 1 . 1 84 84 ASN C C 13 173.2 . . . . . . . . 84 N CO . 51402 1 124 . 1 . 1 84 84 ASN CA C 13 53.4 . . . . . . . . 84 N CA . 51402 1 125 . 1 . 1 84 84 ASN CB C 13 38.8 . . . . . . . . 84 N CB . 51402 1 126 . 1 . 1 84 84 ASN CG C 13 177.9 . . . . . . . . 84 N CG . 51402 1 127 . 1 . 1 84 84 ASN N N 15 116.9 . . . . . . . . 84 N N . 51402 1 128 . 1 . 1 84 84 ASN ND2 N 15 115.1 . . . . . . . . 84 N ND . 51402 1 129 . 1 . 1 85 85 ARG C C 13 174.9 . . . . . . . . 85 R CO . 51402 1 130 . 1 . 1 85 85 ARG CA C 13 58.6 . . . . . . . . 85 R CA . 51402 1 131 . 1 . 1 85 85 ARG CB C 13 29.0 . . . . . . . . 85 R CB . 51402 1 132 . 1 . 1 85 85 ARG CG C 13 26.1 . . . . . . . . 85 R CG . 51402 1 133 . 1 . 1 85 85 ARG CD C 13 43.6 . . . . . . . . 85 R CD . 51402 1 134 . 1 . 1 85 85 ARG N N 15 111.6 . . . . . . . . 85 R N . 51402 1 135 . 1 . 1 85 85 ARG NE N 15 85.3 . . . . . . . . 85 R NE . 51402 1 136 . 1 . 1 86 86 ARG C C 13 174.6 . . . . . . . . 86 R CO . 51402 1 137 . 1 . 1 86 86 ARG CA C 13 55.3 . . . . . . . . 86 R CA . 51402 1 138 . 1 . 1 86 86 ARG CB C 13 31.7 . . . . . . . . 86 R CB . 51402 1 139 . 1 . 1 86 86 ARG CG C 13 28.4 . . . . . . . . 86 R CG . 51402 1 140 . 1 . 1 86 86 ARG CD C 13 44.3 . . . . . . . . 86 R CD . 51402 1 141 . 1 . 1 86 86 ARG N N 15 119.9 . . . . . . . . 86 R N . 51402 1 142 . 1 . 1 87 87 ALA C C 13 176.5 . . . . . . . . 87 A CO . 51402 1 143 . 1 . 1 87 87 ALA CA C 13 51.2 . . . . . . . . 87 A CA . 51402 1 144 . 1 . 1 87 87 ALA CB C 13 20.3 . . . . . . . . 87 A CB . 51402 1 145 . 1 . 1 87 87 ALA N N 15 120.1 . . . . . . . . 87 A N . 51402 1 146 . 1 . 1 88 88 VAL C C 13 176.3 . . . . . . . . 88 V CO . 51402 1 147 . 1 . 1 88 88 VAL CA C 13 60.1 . . . . . . . . 88 V CA . 51402 1 148 . 1 . 1 88 88 VAL CB C 13 36.4 . . . . . . . . 88 V CB . 51402 1 149 . 1 . 1 88 88 VAL CG1 C 13 22.5 . . . . . . . . 88 V CG1 . 51402 1 150 . 1 . 1 88 88 VAL CG2 C 13 21.5 . . . . . . . . 88 V CG2 . 51402 1 151 . 1 . 1 88 88 VAL N N 15 117.7 . . . . . . . . 88 V N . 51402 1 152 . 1 . 1 89 89 VAL C C 13 173.9 . . . . . . . . 89 V CO . 51402 1 153 . 1 . 1 89 89 VAL CA C 13 61.5 . . . . . . . . 89 V CA . 51402 1 154 . 1 . 1 89 89 VAL CB C 13 32.6 . . . . . . . . 89 V CB . 51402 1 155 . 1 . 1 89 89 VAL CG1 C 13 22.0 . . . . . . . . 89 V CG1 . 51402 1 156 . 1 . 1 89 89 VAL CG2 C 13 20.7 . . . . . . . . 89 V CG2 . 51402 1 157 . 1 . 1 89 89 VAL N N 15 128.8 . . . . . . . . 89 V N . 51402 1 158 . 1 . 1 90 90 VAL C C 13 174.1 . . . . . . . . 90 V CO . 51402 1 159 . 1 . 1 90 90 VAL CA C 13 60.5 . . . . . . . . 90 V CA . 51402 1 160 . 1 . 1 90 90 VAL CB C 13 33.9 . . . . . . . . 90 V CB . 51402 1 161 . 1 . 1 90 90 VAL CG1 C 13 20.2 . . . . . . . . 90 V CG1 . 51402 1 162 . 1 . 1 90 90 VAL N N 15 127.9 . . . . . . . . 90 V N . 51402 1 163 . 1 . 1 91 91 ASN C C 13 175.6 . . . . . . . . 91 N CO . 51402 1 164 . 1 . 1 91 91 ASN CA C 13 53.1 . . . . . . . . 91 N CA . 51402 1 165 . 1 . 1 91 91 ASN CB C 13 40.4 . . . . . . . . 91 N CB . 51402 1 166 . 1 . 1 91 91 ASN CG C 13 175.2 . . . . . . . . 91 N CG . 51402 1 167 . 1 . 1 91 91 ASN N N 15 126.2 . . . . . . . . 91 N N . 51402 1 168 . 1 . 1 91 91 ASN ND2 N 15 115.4 . . . . . . . . 91 N ND . 51402 1 169 . 1 . 1 92 92 LEU CA C 13 54.9 . . . . . . . . 92 L CA . 51402 1 170 . 1 . 1 92 92 LEU CB C 13 40.1 . . . . . . . . 92 L CB . 51402 1 171 . 1 . 1 92 92 LEU CG C 13 26.9 . . . . . . . . 92 L CD1 . 51402 1 172 . 1 . 1 92 92 LEU CD2 C 13 24.0 . . . . . . . . 92 L CD2 . 51402 1 173 . 1 . 1 92 92 LEU N N 15 126.0 . . . . . . . . 92 L N . 51402 1 174 . 1 . 1 97 97 HIS C C 13 176.6 . . . . . . . . 97 H CO . 51402 1 175 . 1 . 1 98 98 ASP C C 13 178.7 . . . . . . . . 98 D CO . 51402 1 176 . 1 . 1 98 98 ASP CA C 13 56.9 . . . . . . . . 98 D CA . 51402 1 177 . 1 . 1 98 98 ASP CB C 13 39.5 . . . . . . . . 98 D CB . 51402 1 178 . 1 . 1 98 98 ASP CG C 13 180.0 . . . . . . . . 98 D CG . 51402 1 179 . 1 . 1 98 98 ASP N N 15 116.2 . . . . . . . . 98 D N . 51402 1 180 . 1 . 1 99 99 GLN C C 13 177.6 . . . . . . . . 99 Q CO . 51402 1 181 . 1 . 1 99 99 GLN CA C 13 57.2 . . . . . . . . 99 Q CA . 51402 1 182 . 1 . 1 99 99 GLN CB C 13 28.8 . . . . . . . . 99 Q CB . 51402 1 183 . 1 . 1 99 99 GLN CG C 13 34.1 . . . . . . . . 99 Q CG . 51402 1 184 . 1 . 1 99 99 GLN CD C 13 179.1 . . . . . . . . 99 Q CD . 51402 1 185 . 1 . 1 99 99 GLN N N 15 119.0 . . . . . . . . 99 Q N . 51402 1 186 . 1 . 1 99 99 GLN NE2 N 15 116.2 . . . . . . . . 99 Q NE . 51402 1 187 . 1 . 1 100 100 ALA C C 13 179.2 . . . . . . . . 100 A CO . 51402 1 188 . 1 . 1 100 100 ALA CA C 13 55.5 . . . . . . . . 100 A CA . 51402 1 189 . 1 . 1 100 100 ALA CB C 13 19.3 . . . . . . . . 100 A CB . 51402 1 190 . 1 . 1 100 100 ALA N N 15 124.4 . . . . . . . . 100 A N . 51402 1 191 . 1 . 1 101 101 LYS C C 13 177.8 . . . . . . . . 101 K CO . 51402 1 192 . 1 . 1 101 101 LYS CA C 13 59.5 . . . . . . . . 101 K CA . 51402 1 193 . 1 . 1 101 101 LYS CB C 13 32.1 . . . . . . . . 101 K CB . 51402 1 194 . 1 . 1 101 101 LYS CG C 13 24.4 . . . . . . . . 101 K CG . 51402 1 195 . 1 . 1 101 101 LYS CD C 13 29.5 . . . . . . . . 101 K CD . 51402 1 196 . 1 . 1 101 101 LYS N N 15 116.0 . . . . . . . . 101 K N . 51402 1 197 . 1 . 1 102 102 ARG C C 13 179.2 . . . . . . . . 102 R CO . 51402 1 198 . 1 . 1 102 102 ARG CA C 13 59.5 . . . . . . . . 102 R CA . 51402 1 199 . 1 . 1 102 102 ARG CB C 13 30.4 . . . . . . . . 102 R CB . 51402 1 200 . 1 . 1 102 102 ARG CG C 13 25.1 . . . . . . . . 102 R CG . 51402 1 201 . 1 . 1 102 102 ARG CD C 13 43.1 . . . . . . . . 102 R CD . 51402 1 202 . 1 . 1 102 102 ARG N N 15 116.0 . . . . . . . . 102 R N . 51402 1 203 . 1 . 1 103 103 ILE C C 13 177.4 . . . . . . . . 103 I CO . 51402 1 204 . 1 . 1 103 103 ILE CA C 13 66.6 . . . . . . . . 103 I CA . 51402 1 205 . 1 . 1 103 103 ILE CB C 13 37.3 . . . . . . . . 103 I CB . 51402 1 206 . 1 . 1 103 103 ILE CG1 C 13 28.7 . . . . . . . . 103 I CG1 . 51402 1 207 . 1 . 1 103 103 ILE CG2 C 13 16.7 . . . . . . . . 103 I CG2 . 51402 1 208 . 1 . 1 103 103 ILE CD1 C 13 14.6 . . . . . . . . 103 I CD . 51402 1 209 . 1 . 1 103 103 ILE N N 15 117.9 . . . . . . . . 103 I N . 51402 1 210 . 1 . 1 104 104 VAL C C 13 179.2 . . . . . . . . 104 V CO . 51402 1 211 . 1 . 1 104 104 VAL CA C 13 67.7 . . . . . . . . 104 V CA . 51402 1 212 . 1 . 1 104 104 VAL CB C 13 30.9 . . . . . . . . 104 V CB . 51402 1 213 . 1 . 1 104 104 VAL CG1 C 13 23.5 . . . . . . . . 104 V CG1 . 51402 1 214 . 1 . 1 104 104 VAL CG2 C 13 20.8 . . . . . . . . 104 V CG2 . 51402 1 215 . 1 . 1 104 104 VAL N N 15 119.7 . . . . . . . . 104 V N . 51402 1 216 . 1 . 1 105 105 ASP C C 13 177.9 . . . . . . . . 105 D CO . 51402 1 217 . 1 . 1 105 105 ASP CA C 13 59.1 . . . . . . . . 105 D CA . 51402 1 218 . 1 . 1 105 105 ASP CB C 13 40.4 . . . . . . . . 105 D CB . 51402 1 219 . 1 . 1 105 105 ASP CG C 13 178.8 . . . . . . . . 105 D CG . 51402 1 220 . 1 . 1 105 105 ASP N N 15 125.2 . . . . . . . . 105 D N . 51402 1 221 . 1 . 1 106 106 PHE C C 13 179.9 . . . . . . . . 106 F CO . 51402 1 222 . 1 . 1 106 106 PHE CA C 13 61.1 . . . . . . . . 106 F CA . 51402 1 223 . 1 . 1 106 106 PHE CB C 13 39.4 . . . . . . . . 106 F CB . 51402 1 224 . 1 . 1 106 106 PHE N N 15 122.3 . . . . . . . . 106 F N . 51402 1 225 . 1 . 1 107 107 LEU C C 13 179.2 . . . . . . . . 107 L CO . 51402 1 226 . 1 . 1 107 107 LEU CA C 13 57.2 . . . . . . . . 107 L CA . 51402 1 227 . 1 . 1 107 107 LEU CB C 13 41.4 . . . . . . . . 107 L CB . 51402 1 228 . 1 . 1 107 107 LEU CG C 13 26.7 . . . . . . . . 107 L CG . 51402 1 229 . 1 . 1 107 107 LEU CD1 C 13 21.5 . . . . . . . . 107 L CD1 . 51402 1 230 . 1 . 1 107 107 LEU N N 15 119.6 . . . . . . . . 107 L N . 51402 1 231 . 1 . 1 108 108 SER C C 13 176.4 . . . . . . . . 108 S CO . 51402 1 232 . 1 . 1 108 108 SER CA C 13 62.8 . . . . . . . . 108 S CA . 51402 1 233 . 1 . 1 108 108 SER CB C 13 62.5 . . . . . . . . 108 S CB . 51402 1 234 . 1 . 1 108 108 SER N N 15 119.0 . . . . . . . . 108 S N . 51402 1 235 . 1 . 1 109 109 GLY C C 13 176.8 . . . . . . . . 109 G CO . 51402 1 236 . 1 . 1 109 109 GLY CA C 13 45.7 . . . . . . . . 109 G CA . 51402 1 237 . 1 . 1 109 109 GLY N N 15 113.8 . . . . . . . . 109 G N . 51402 1 238 . 1 . 1 110 110 THR C C 13 176.6 . . . . . . . . 110 T CO . 51402 1 239 . 1 . 1 110 110 THR CA C 13 67.1 . . . . . . . . 110 T CA . 51402 1 240 . 1 . 1 110 110 THR CB C 13 68.3 . . . . . . . . 110 T CB . 51402 1 241 . 1 . 1 110 110 THR CG2 C 13 22.1 . . . . . . . . 110 T CG2 . 51402 1 242 . 1 . 1 110 110 THR N N 15 120.4 . . . . . . . . 110 T N . 51402 1 243 . 1 . 1 111 111 VAL C C 13 178.7 . . . . . . . . 111 V CO . 51402 1 244 . 1 . 1 111 111 VAL CA C 13 65.3 . . . . . . . . 111 V CA . 51402 1 245 . 1 . 1 111 111 VAL CB C 13 31.2 . . . . . . . . 111 V CB . 51402 1 246 . 1 . 1 111 111 VAL CG1 C 13 22.1 . . . . . . . . 111 V CG1 . 51402 1 247 . 1 . 1 111 111 VAL CG2 C 13 19.5 . . . . . . . . 111 V CG2 . 51402 1 248 . 1 . 1 111 111 VAL N N 15 113.7 . . . . . . . . 111 V N . 51402 1 249 . 1 . 1 112 112 TYR C C 13 179.5 . . . . . . . . 112 Y CO . 51402 1 250 . 1 . 1 112 112 TYR CA C 13 62.0 . . . . . . . . 112 Y CA . 51402 1 251 . 1 . 1 112 112 TYR CB C 13 38.9 . . . . . . . . 112 Y CB . 51402 1 252 . 1 . 1 112 112 TYR N N 15 123.1 . . . . . . . . 112 Y N . 51402 1 253 . 1 . 1 113 113 ALA C C 13 178.4 . . . . . . . . 113 A CO . 51402 1 254 . 1 . 1 113 113 ALA CA C 13 55.0 . . . . . . . . 113 A CA . 51402 1 255 . 1 . 1 113 113 ALA CB C 13 20.3 . . . . . . . . 113 A CB . 51402 1 256 . 1 . 1 113 113 ALA N N 15 120.1 . . . . . . . . 113 A N . 51402 1 257 . 1 . 1 114 114 ILE C C 13 176.5 . . . . . . . . 114 I CO . 51402 1 258 . 1 . 1 114 114 ILE CA C 13 60.92 . . . . . . . . 114 I CA . 51402 1 259 . 1 . 1 114 114 ILE CB C 13 37.6 . . . . . . . . 114 I CB . 51402 1 260 . 1 . 1 114 114 ILE CG1 C 13 25.1 . . . . . . . . 114 I CG1 . 51402 1 261 . 1 . 1 114 114 ILE CG2 C 13 16.7 . . . . . . . . 114 I CG2 . 51402 1 262 . 1 . 1 114 114 ILE CD1 C 13 14.1 . . . . . . . . 114 I CD . 51402 1 263 . 1 . 1 114 114 ILE N N 15 106.5 . . . . . . . . 114 I N . 51402 1 264 . 1 . 1 115 115 GLY C C 13 175.1 . . . . . . . . 115 G CO . 51402 1 265 . 1 . 1 115 115 GLY CA C 13 46.3 . . . . . . . . 115 G CA . 51402 1 266 . 1 . 1 115 115 GLY N N 15 111.7 . . . . . . . . 115 G N . 51402 1 267 . 1 . 1 116 116 GLY C C 13 172.2 . . . . . . . . 116 G CO . 51402 1 268 . 1 . 1 116 116 GLY CA C 13 43.3 . . . . . . . . 116 G CA . 51402 1 269 . 1 . 1 116 116 GLY N N 15 108.6 . . . . . . . . 116 G N . 51402 1 270 . 1 . 1 117 117 ASP C C 13 173.8 . . . . . . . . 117 D CO . 51402 1 271 . 1 . 1 117 117 ASP CA C 13 52.9 . . . . . . . . 117 D CA . 51402 1 272 . 1 . 1 117 117 ASP CB C 13 44.7 . . . . . . . . 117 D CB . 51402 1 273 . 1 . 1 117 117 ASP CG C 13 181.0 . . . . . . . . 117 D CG . 51402 1 274 . 1 . 1 117 117 ASP N N 15 120.5 . . . . . . . . 117 D N . 51402 1 275 . 1 . 1 118 118 ILE C C 13 173.4 . . . . . . . . 118 I CO . 51402 1 276 . 1 . 1 118 118 ILE CA C 13 59.5 . . . . . . . . 118 I CA . 51402 1 277 . 1 . 1 118 118 ILE CB C 13 40.7 . . . . . . . . 118 I CB . 51402 1 278 . 1 . 1 118 118 ILE CG1 C 13 29.2 . . . . . . . . 118 I CG1 . 51402 1 279 . 1 . 1 118 118 ILE CD1 C 13 14.8 . . . . . . . . 118 I CD . 51402 1 280 . 1 . 1 118 118 ILE N N 15 119.2 . . . . . . . . 118 I N . 51402 1 281 . 1 . 1 119 119 GLN C C 13 174.3 . . . . . . . . 119 Q CO . 51402 1 282 . 1 . 1 119 119 GLN CA C 13 53.7 . . . . . . . . 119 Q CA . 51402 1 283 . 1 . 1 119 119 GLN CB C 13 27.5 . . . . . . . . 119 Q CB . 51402 1 284 . 1 . 1 119 119 GLN CG C 13 33.3 . . . . . . . . 119 Q CG . 51402 1 285 . 1 . 1 119 119 GLN CD C 13 179.3 . . . . . . . . 119 Q CD . 51402 1 286 . 1 . 1 119 119 GLN N N 15 123.2 . . . . . . . . 119 Q N . 51402 1 287 . 1 . 1 119 119 GLN NE2 N 15 112.5 . . . . . . . . 119 Q NE . 51402 1 288 . 1 . 1 120 120 ARG C C 13 177.0 . . . . . . . . 120 R CO . 51402 1 289 . 1 . 1 120 120 ARG CA C 13 57.0 . . . . . . . . 120 R CA . 51402 1 290 . 1 . 1 120 120 ARG CB C 13 30.4 . . . . . . . . 120 R CB . 51402 1 291 . 1 . 1 120 120 ARG CG C 13 27.3 . . . . . . . . 120 R CG . 51402 1 292 . 1 . 1 120 120 ARG N N 15 128.0 . . . . . . . . 120 R N . 51402 1 293 . 1 . 1 121 121 ILE C C 13 172.3 . . . . . . . . 121 I CO . 51402 1 294 . 1 . 1 121 121 ILE CA C 13 60.4 . . . . . . . . 121 I CA . 51402 1 295 . 1 . 1 121 121 ILE CB C 13 37.9 . . . . . . . . 121 I CB . 51402 1 296 . 1 . 1 121 121 ILE CG1 C 13 26.5 . . . . . . . . 121 I CG1 . 51402 1 297 . 1 . 1 121 121 ILE CG2 C 13 19.9 . . . . . . . . 121 I CG2 . 51402 1 298 . 1 . 1 121 121 ILE CD1 C 13 14.4 . . . . . . . . 121 I CD . 51402 1 299 . 1 . 1 121 121 ILE N N 15 119.4 . . . . . . . . 121 I N . 51402 1 300 . 1 . 1 122 122 GLY C C 13 171.9 . . . . . . . . 122 G CO . 51402 1 301 . 1 . 1 122 122 GLY CA C 13 44.3 . . . . . . . . 122 G CA . 51402 1 302 . 1 . 1 122 122 GLY N N 15 107.5 . . . . . . . . 122 G N . 51402 1 303 . 1 . 1 123 123 SER C C 13 174.9 . . . . . . . . 123 S CO . 51402 1 304 . 1 . 1 123 123 SER CA C 13 59.5 . . . . . . . . 123 S CA . 51402 1 305 . 1 . 1 123 123 SER CB C 13 62.3 . . . . . . . . 123 S CB . 51402 1 306 . 1 . 1 123 123 SER N N 15 116.6 . . . . . . . . 123 S N . 51402 1 307 . 1 . 1 124 124 ASP C C 13 173.2 . . . . . . . . 124 D CO . 51402 1 308 . 1 . 1 124 124 ASP CA C 13 55.5 . . . . . . . . 124 D CA . 51402 1 309 . 1 . 1 124 124 ASP CB C 13 40.3 . . . . . . . . 124 D CB . 51402 1 310 . 1 . 1 124 124 ASP CG C 13 181.4 . . . . . . . . 124 D CG . 51402 1 311 . 1 . 1 125 125 ILE C C 13 173.8 . . . . . . . . 125 I CO . 51402 1 312 . 1 . 1 125 125 ILE CA C 13 60.1 . . . . . . . . 125 I CA . 51402 1 313 . 1 . 1 125 125 ILE CD1 C 13 16.0 . . . . . . . . 125 I CD . 51402 1 314 . 1 . 1 125 125 ILE N N 15 114.4 . . . . . . . . 125 I N . 51402 1 315 . 1 . 1 126 126 PHE C C 13 173.5 . . . . . . . . 126 F CO . 51402 1 316 . 1 . 1 126 126 PHE CA C 13 56.5 . . . . . . . . 126 F CA . 51402 1 317 . 1 . 1 126 126 PHE CB C 13 43.5 . . . . . . . . 126 F CB . 51402 1 318 . 1 . 1 126 126 PHE CG C 13 138.5 . . . . . . . . 126 F CG . 51402 1 319 . 1 . 1 126 126 PHE CE1 C 13 130.6 . . . . . . . . 126 F CE# . 51402 1 320 . 1 . 1 126 126 PHE CE2 C 13 130.6 . . . . . . . . 126 F CE# . 51402 1 321 . 1 . 1 126 126 PHE N N 15 125.5 . . . . . . . . 126 F N . 51402 1 322 . 1 . 1 127 127 LEU C C 13 176.0 . . . . . . . . 127 L CO . 51402 1 323 . 1 . 1 127 127 LEU CA C 13 53.6 . . . . . . . . 127 L CA . 51402 1 324 . 1 . 1 127 127 LEU CB C 13 45.4 . . . . . . . . 127 L CB . 51402 1 325 . 1 . 1 127 127 LEU CG C 13 27.8 . . . . . . . . 127 L CG . 51402 1 326 . 1 . 1 127 127 LEU CD1 C 13 22.4 . . . . . . . . 127 L CD1 . 51402 1 327 . 1 . 1 127 127 LEU N N 15 122.8 . . . . . . . . 127 L N . 51402 1 328 . 1 . 1 128 128 CYS C C 13 173.6 . . . . . . . . 128 C CO . 51402 1 329 . 1 . 1 128 128 CYS CA C 13 57.0 . . . . . . . . 128 C CA . 51402 1 330 . 1 . 1 128 128 CYS CB C 13 30.3 . . . . . . . . 128 C CB . 51402 1 331 . 1 . 1 128 128 CYS N N 15 128.8 . . . . . . . . 128 C N . 51402 1 332 . 1 . 1 129 129 THR C C 13 172.0 . . . . . . . . 129 T CO . 51402 1 333 . 1 . 1 129 129 THR CA C 13 56.7 . . . . . . . . 129 T CA . 51402 1 334 . 1 . 1 129 129 THR CB C 13 69.7 . . . . . . . . 129 T CB . 51402 1 335 . 1 . 1 129 129 THR CG2 C 13 23.7 . . . . . . . . 129 T CG2 . 51402 1 336 . 1 . 1 129 129 THR N N 15 114.9 . . . . . . . . 129 T N . 51402 1 337 . 1 . 1 130 130 PRO C C 13 176.0 . . . . . . . . 130 P CO . 51402 1 338 . 1 . 1 130 130 PRO CA C 13 61.0 . . . . . . . . 130 P CA . 51402 1 339 . 1 . 1 130 130 PRO CB C 13 32.6 . . . . . . . . 130 P CB . 51402 1 340 . 1 . 1 130 130 PRO CG C 13 26.3 . . . . . . . . 130 P CG . 51402 1 341 . 1 . 1 130 130 PRO CD C 13 48.7 . . . . . . . . 130 P CD . 51402 1 342 . 1 . 1 130 130 PRO N N 15 127.2 . . . . . . . . 130 P N . 51402 1 343 . 1 . 1 131 131 ASP C C 13 176.7 . . . . . . . . 131 D CO . 51402 1 344 . 1 . 1 131 131 ASP CA C 13 56.1 . . . . . . . . 131 D CA . 51402 1 345 . 1 . 1 131 131 ASP CB C 13 40.1 . . . . . . . . 131 D CB . 51402 1 346 . 1 . 1 131 131 ASP CG C 13 180.1 . . . . . . . . 131 D CG . 51402 1 347 . 1 . 1 131 131 ASP N N 15 117.9 . . . . . . . . 131 D N . 51402 1 348 . 1 . 1 132 132 ASN C C 13 173.6 . . . . . . . . 132 N CO . 51402 1 349 . 1 . 1 132 132 ASN CA C 13 53.4 . . . . . . . . 132 N CA . 51402 1 350 . 1 . 1 132 132 ASN CB C 13 37.7 . . . . . . . . 132 N CB . 51402 1 351 . 1 . 1 132 132 ASN CG C 13 177.2 . . . . . . . . 132 N CG . 51402 1 352 . 1 . 1 132 132 ASN N N 15 113.0 . . . . . . . . 132 N N . 51402 1 353 . 1 . 1 132 132 ASN ND2 N 15 113.3 . . . . . . . . 132 N ND2 . 51402 1 354 . 1 . 1 133 133 VAL C C 13 174.3 . . . . . . . . 133 V CO . 51402 1 355 . 1 . 1 133 133 VAL CA C 13 61.0 . . . . . . . . 133 V CA . 51402 1 356 . 1 . 1 133 133 VAL CB C 13 34.2 . . . . . . . . 133 V CB . 51402 1 357 . 1 . 1 133 133 VAL CG1 C 13 21.9 . . . . . . . . 133 V CG1 . 51402 1 358 . 1 . 1 133 133 VAL CG2 C 13 20.9 . . . . . . . . 133 V CG2 . 51402 1 359 . 1 . 1 133 133 VAL N N 15 120.6 . . . . . . . . 133 V N . 51402 1 360 . 1 . 1 134 134 ASP C C 13 174.7 . . . . . . . . 134 D CO . 51402 1 361 . 1 . 1 134 134 ASP CA C 13 53.1 . . . . . . . . 134 D CA . 51402 1 362 . 1 . 1 134 134 ASP CB C 13 43.3 . . . . . . . . 134 D CB . 51402 1 363 . 1 . 1 134 134 ASP CG C 13 179.5 . . . . . . . . 134 D CG . 51402 1 364 . 1 . 1 134 134 ASP N N 15 127.6 . . . . . . . . 134 D N . 51402 1 365 . 1 . 1 135 135 VAL C C 13 176.0 . . . . . . . . 135 V CO . 51402 1 366 . 1 . 1 135 135 VAL CA C 13 60.7 . . . . . . . . 135 V CA . 51402 1 367 . 1 . 1 135 135 VAL CB C 13 33.4 . . . . . . . . 135 V CB . 51402 1 368 . 1 . 1 135 135 VAL CG1 C 13 22.9 . . . . . . . . 135 V CG1 . 51402 1 369 . 1 . 1 135 135 VAL CG2 C 13 21.7 . . . . . . . . 135 V CG2 . 51402 1 370 . 1 . 1 135 135 VAL N N 15 125.4 . . . . . . . . 135 V N . 51402 1 371 . 1 . 1 136 136 SER C C 13 173.2 . . . . . . . . 136 S CO . 51402 1 372 . 1 . 1 136 136 SER CA C 13 56.8 . . . . . . . . 136 S CA . 51402 1 373 . 1 . 1 136 136 SER CB C 13 66.0 . . . . . . . . 136 S CB . 51402 1 374 . 1 . 1 136 136 SER N N 15 122.9 . . . . . . . . 136 S N . 51402 1 375 . 1 . 1 137 137 GLY C C 13 172.6 . . . . . . . . 137 G CO . 51402 1 376 . 1 . 1 137 137 GLY CA C 13 44.1 . . . . . . . . 137 G CA . 51402 1 377 . 1 . 1 137 137 GLY N N 15 110.3 . . . . . . . . 137 G N . 51402 1 378 . 1 . 1 138 138 THR C C 13 172.4 . . . . . . . . 138 T CO . 51402 1 379 . 1 . 1 138 138 THR CA C 13 61.2 . . . . . . . . 138 T CA . 51402 1 380 . 1 . 1 138 138 THR CB C 13 72.2 . . . . . . . . 138 T CB . 51402 1 381 . 1 . 1 138 138 THR CG2 C 13 21.4 . . . . . . . . 138 T CG2 . 51402 1 382 . 1 . 1 138 138 THR N N 15 110.1 . . . . . . . . 138 T N . 51402 1 383 . 1 . 1 139 139 ILE C C 13 176.2 . . . . . . . . 139 I CO . 51402 1 384 . 1 . 1 139 139 ILE CA C 13 59.1 . . . . . . . . 139 I CA . 51402 1 385 . 1 . 1 139 139 ILE CG1 C 13 39.7 . . . . . . . . 139 I CG1 . 51402 1 386 . 1 . 1 139 139 ILE CG2 C 13 19.1 . . . . . . . . 139 I CG2 . 51402 1 387 . 1 . 1 139 139 ILE CD1 C 13 12.9 . . . . . . . . 139 I CD . 51402 1 388 . 1 . 1 139 139 ILE N N 15 124.5 . . . . . . . . 139 I N . 51402 1 389 . 1 . 1 140 140 SER N N 15 127.4 . . . . . . . . 140 S N . 51402 1 stop_ save_