data_27570 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27570 _Entry.Title ; Chemical shift assignment of wild-type E.coli diacylglycerol kinase (DGK) by solid-state NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-06 _Entry.Accession_date 2018-08-06 _Entry.Last_release_date 2018-08-06 _Entry.Original_release_date 2018-08-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _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 Kristin Moebius . . . . 27570 2 Sina Kazemi . . . . 27570 3 Peter Guentert . . . . 27570 4 Andreas Jakob . . . . 27570 5 Alexander Heckel . . . . 27570 6 Johanna Becker-Baldus . . . . 27570 7 Clemens Glaubitz . . . . 27570 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27570 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 27570 '15N chemical shifts' 112 27570 '1H chemical shifts' 5 27570 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 . . 2019-03-22 2018-08-06 update BMRB 'update entry citation' 27570 1 . . 2019-02-26 2018-08-06 original author 'original release' 27570 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27570 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30850624 _Citation.Full_citation . _Citation.Title ; Global response of wild-type E.coli diacylglycerol kinase towards nucleotide and lipid substrate binding observed by 3D and 2D MAS NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _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 3995 _Citation.Page_last 3995 _Citation.Year 2019 _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 Kristin Moebius . . . . 27570 1 2 Sina Kazemi . . . . 27570 1 3 Peter Guentert . . . . 27570 1 4 Andreas Jakob . . . . 27570 1 5 Johanna Becker-Baldus . . . . 27570 1 6 Clemens Glaubitz . . . . 27570 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27570 _Assembly.ID 1 _Assembly.Name 'DGK homotrimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DGK, chain 1' 1 $DGK A . yes native no no . . . 27570 1 2 'DGK, chain 2' 1 $DGK B . yes native no no . . . 27570 1 3 'DGK, chain 3' 1 $DGK C . yes native no no . . . 27570 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DGK _Entity.Sf_category entity _Entity.Sf_framecode DGK _Entity.Entry_ID 27570 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DGK _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 ; MGHHHHHHELANNTTGFTRI IKAAGYSWKGLRAAWINEAA FRQEGVAVLLAVVIACWLDV DAITRVLLISSVMLVMIVEI LNSAIEAVVDRIGSEYHELS GRAKDMGSAAVLIAIIVAVI TWCILLWSHFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 -9 MET . 27570 1 2 -8 GLY . 27570 1 3 -7 HIS . 27570 1 4 -6 HIS . 27570 1 5 -5 HIS . 27570 1 6 -4 HIS . 27570 1 7 -3 HIS . 27570 1 8 -2 HIS . 27570 1 9 -1 GLU . 27570 1 10 0 LEU . 27570 1 11 1 ALA . 27570 1 12 2 ASN . 27570 1 13 3 ASN . 27570 1 14 4 THR . 27570 1 15 5 THR . 27570 1 16 6 GLY . 27570 1 17 7 PHE . 27570 1 18 8 THR . 27570 1 19 9 ARG . 27570 1 20 10 ILE . 27570 1 21 11 ILE . 27570 1 22 12 LYS . 27570 1 23 13 ALA . 27570 1 24 14 ALA . 27570 1 25 15 GLY . 27570 1 26 16 TYR . 27570 1 27 17 SER . 27570 1 28 18 TRP . 27570 1 29 19 LYS . 27570 1 30 20 GLY . 27570 1 31 21 LEU . 27570 1 32 22 ARG . 27570 1 33 23 ALA . 27570 1 34 24 ALA . 27570 1 35 25 TRP . 27570 1 36 26 ILE . 27570 1 37 27 ASN . 27570 1 38 28 GLU . 27570 1 39 29 ALA . 27570 1 40 30 ALA . 27570 1 41 31 PHE . 27570 1 42 32 ARG . 27570 1 43 33 GLN . 27570 1 44 34 GLU . 27570 1 45 35 GLY . 27570 1 46 36 VAL . 27570 1 47 37 ALA . 27570 1 48 38 VAL . 27570 1 49 39 LEU . 27570 1 50 40 LEU . 27570 1 51 41 ALA . 27570 1 52 42 VAL . 27570 1 53 43 VAL . 27570 1 54 44 ILE . 27570 1 55 45 ALA . 27570 1 56 46 CYS . 27570 1 57 47 TRP . 27570 1 58 48 LEU . 27570 1 59 49 ASP . 27570 1 60 50 VAL . 27570 1 61 51 ASP . 27570 1 62 52 ALA . 27570 1 63 53 ILE . 27570 1 64 54 THR . 27570 1 65 55 ARG . 27570 1 66 56 VAL . 27570 1 67 57 LEU . 27570 1 68 58 LEU . 27570 1 69 59 ILE . 27570 1 70 60 SER . 27570 1 71 61 SER . 27570 1 72 62 VAL . 27570 1 73 63 MET . 27570 1 74 64 LEU . 27570 1 75 65 VAL . 27570 1 76 66 MET . 27570 1 77 67 ILE . 27570 1 78 68 VAL . 27570 1 79 69 GLU . 27570 1 80 70 ILE . 27570 1 81 71 LEU . 27570 1 82 72 ASN . 27570 1 83 73 SER . 27570 1 84 74 ALA . 27570 1 85 75 ILE . 27570 1 86 76 GLU . 27570 1 87 77 ALA . 27570 1 88 78 VAL . 27570 1 89 79 VAL . 27570 1 90 80 ASP . 27570 1 91 81 ARG . 27570 1 92 82 ILE . 27570 1 93 83 GLY . 27570 1 94 84 SER . 27570 1 95 85 GLU . 27570 1 96 86 TYR . 27570 1 97 87 HIS . 27570 1 98 88 GLU . 27570 1 99 89 LEU . 27570 1 100 90 SER . 27570 1 101 91 GLY . 27570 1 102 92 ARG . 27570 1 103 93 ALA . 27570 1 104 94 LYS . 27570 1 105 95 ASP . 27570 1 106 96 MET . 27570 1 107 97 GLY . 27570 1 108 98 SER . 27570 1 109 99 ALA . 27570 1 110 100 ALA . 27570 1 111 101 VAL . 27570 1 112 102 LEU . 27570 1 113 103 ILE . 27570 1 114 104 ALA . 27570 1 115 105 ILE . 27570 1 116 106 ILE . 27570 1 117 107 VAL . 27570 1 118 108 ALA . 27570 1 119 109 VAL . 27570 1 120 110 ILE . 27570 1 121 111 THR . 27570 1 122 112 TRP . 27570 1 123 113 CYS . 27570 1 124 114 ILE . 27570 1 125 115 LEU . 27570 1 126 116 LEU . 27570 1 127 117 TRP . 27570 1 128 118 SER . 27570 1 129 119 HIS . 27570 1 130 120 PHE . 27570 1 131 121 GLY . 27570 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 27570 1 . GLY 2 2 27570 1 . HIS 3 3 27570 1 . HIS 4 4 27570 1 . HIS 5 5 27570 1 . HIS 6 6 27570 1 . HIS 7 7 27570 1 . HIS 8 8 27570 1 . GLU 9 9 27570 1 . LEU 10 10 27570 1 . ALA 11 11 27570 1 . ASN 12 12 27570 1 . ASN 13 13 27570 1 . THR 14 14 27570 1 . THR 15 15 27570 1 . GLY 16 16 27570 1 . PHE 17 17 27570 1 . THR 18 18 27570 1 . ARG 19 19 27570 1 . ILE 20 20 27570 1 . ILE 21 21 27570 1 . LYS 22 22 27570 1 . ALA 23 23 27570 1 . ALA 24 24 27570 1 . GLY 25 25 27570 1 . TYR 26 26 27570 1 . SER 27 27 27570 1 . TRP 28 28 27570 1 . LYS 29 29 27570 1 . GLY 30 30 27570 1 . LEU 31 31 27570 1 . ARG 32 32 27570 1 . ALA 33 33 27570 1 . ALA 34 34 27570 1 . TRP 35 35 27570 1 . ILE 36 36 27570 1 . ASN 37 37 27570 1 . GLU 38 38 27570 1 . ALA 39 39 27570 1 . ALA 40 40 27570 1 . PHE 41 41 27570 1 . ARG 42 42 27570 1 . GLN 43 43 27570 1 . GLU 44 44 27570 1 . GLY 45 45 27570 1 . VAL 46 46 27570 1 . ALA 47 47 27570 1 . VAL 48 48 27570 1 . LEU 49 49 27570 1 . LEU 50 50 27570 1 . ALA 51 51 27570 1 . VAL 52 52 27570 1 . VAL 53 53 27570 1 . ILE 54 54 27570 1 . ALA 55 55 27570 1 . CYS 56 56 27570 1 . TRP 57 57 27570 1 . LEU 58 58 27570 1 . ASP 59 59 27570 1 . VAL 60 60 27570 1 . ASP 61 61 27570 1 . ALA 62 62 27570 1 . ILE 63 63 27570 1 . THR 64 64 27570 1 . ARG 65 65 27570 1 . VAL 66 66 27570 1 . LEU 67 67 27570 1 . LEU 68 68 27570 1 . ILE 69 69 27570 1 . SER 70 70 27570 1 . SER 71 71 27570 1 . VAL 72 72 27570 1 . MET 73 73 27570 1 . LEU 74 74 27570 1 . VAL 75 75 27570 1 . MET 76 76 27570 1 . ILE 77 77 27570 1 . VAL 78 78 27570 1 . GLU 79 79 27570 1 . ILE 80 80 27570 1 . LEU 81 81 27570 1 . ASN 82 82 27570 1 . SER 83 83 27570 1 . ALA 84 84 27570 1 . ILE 85 85 27570 1 . GLU 86 86 27570 1 . ALA 87 87 27570 1 . VAL 88 88 27570 1 . VAL 89 89 27570 1 . ASP 90 90 27570 1 . ARG 91 91 27570 1 . ILE 92 92 27570 1 . GLY 93 93 27570 1 . SER 94 94 27570 1 . GLU 95 95 27570 1 . TYR 96 96 27570 1 . HIS 97 97 27570 1 . GLU 98 98 27570 1 . LEU 99 99 27570 1 . SER 100 100 27570 1 . GLY 101 101 27570 1 . ARG 102 102 27570 1 . ALA 103 103 27570 1 . LYS 104 104 27570 1 . ASP 105 105 27570 1 . MET 106 106 27570 1 . GLY 107 107 27570 1 . SER 108 108 27570 1 . ALA 109 109 27570 1 . ALA 110 110 27570 1 . VAL 111 111 27570 1 . LEU 112 112 27570 1 . ILE 113 113 27570 1 . ALA 114 114 27570 1 . ILE 115 115 27570 1 . ILE 116 116 27570 1 . VAL 117 117 27570 1 . ALA 118 118 27570 1 . VAL 119 119 27570 1 . ILE 120 120 27570 1 . THR 121 121 27570 1 . TRP 122 122 27570 1 . CYS 123 123 27570 1 . ILE 124 124 27570 1 . LEU 125 125 27570 1 . LEU 126 126 27570 1 . TRP 127 127 27570 1 . SER 128 128 27570 1 . HIS 129 129 27570 1 . PHE 130 130 27570 1 . GLY 131 131 27570 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27570 _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 $DGK . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27570 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27570 _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 $DGK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pSD005 . . . 27570 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27570 _Sample.ID 1 _Sample.Type proteoliposome _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 DGK '[U-13C; U-15N]' . . 1 $DGK . . . . . mM . . . . 27570 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27570 _Sample.ID 2 _Sample.Type proteoliposome _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _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 DGK '[U-13C; U-15N]; [U-12C; U-14N]-Ile,Leu,Val' . . 1 $DGK . . . . . mM . . . . 27570 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27570 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 27570 1 temperature 275 . K 27570 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27570 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27570 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27570 1 processing 27570 1 stop_ save_ save_ssFLYA _Software.Sf_category software _Software.Sf_framecode ssFLYA _Software.Entry_ID 27570 _Software.ID 2 _Software.Type . _Software.Name ssFLYA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 27570 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27570 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27570 _Software.ID 3 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27570 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27570 3 'data analysis' 27570 3 'peak picking' 27570 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27570 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27570 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27570 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27570 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 2 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 3 '3D CONCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 4 '3D NCACX' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 5 '3D NCOCX' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 6 '3D CONCA' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 7 '2D 13C-13C TOBSY' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 8 '2D 1H-13C HETCOR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 9 '2D 1H-15N HETCOR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27570 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27570 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27570 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27570 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27570 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACX' . . . 27570 1 2 '3D NCOCX' . . . 27570 1 3 '3D CONCA' . . . 27570 1 4 '3D NCACX' . . . 27570 1 5 '3D NCOCX' . . . 27570 1 6 '3D CONCA' . . . 27570 1 7 '2D 13C-13C TOBSY' . . . 27570 1 8 '2D 1H-13C HETCOR' . . . 27570 1 9 '2D 1H-15N HETCOR' . . . 27570 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 19 19 ARG HD2 H 1 3.160 0.020 . 2 . . . . . 9 ARG HD2 . 27570 1 2 . 1 1 19 19 ARG HD3 H 1 3.160 0.020 . 2 . . . . . 9 ARG HD3 . 27570 1 3 . 1 1 19 19 ARG HE H 1 7.350 0.020 . 1 . . . . . 9 ARG HE . 27570 1 4 . 1 1 19 19 ARG CG C 13 27.240 0.400 . 1 . . . . . 9 ARG CG . 27570 1 5 . 1 1 19 19 ARG CD C 13 43.300 0.400 . 1 . . . . . 9 ARG CD . 27570 1 6 . 1 1 19 19 ARG NE N 15 84.500 0.400 . 1 . . . . . 9 ARG NE . 27570 1 7 . 1 1 19 19 ARG NH1 N 15 71.690 0.400 . 1 . . . . . 9 ARG NH1 . 27570 1 8 . 1 1 19 19 ARG NH2 N 15 71.690 0.400 . 1 . . . . . 9 ARG NH2 . 27570 1 9 . 1 1 22 22 LYS HE2 H 1 2.980 0.020 . 2 . . . . . 12 LYS HE2 . 27570 1 10 . 1 1 22 22 LYS HE3 H 1 2.980 0.020 . 2 . . . . . 12 LYS HE3 . 27570 1 11 . 1 1 22 22 LYS CD C 13 29.210 0.400 . 1 . . . . . 12 LYS CD . 27570 1 12 . 1 1 22 22 LYS CE C 13 42.050 0.400 . 1 . . . . . 12 LYS CE . 27570 1 13 . 1 1 24 24 ALA C C 13 174.700 0.400 . 1 . . . . . 14 ALA C . 27570 1 14 . 1 1 25 25 GLY C C 13 177.970 0.400 . 1 . . . . . 15 GLY C . 27570 1 15 . 1 1 25 25 GLY CA C 13 47.070 0.400 . 1 . . . . . 15 GLY CA . 27570 1 16 . 1 1 25 25 GLY N N 15 113.270 0.400 . 1 . . . . . 15 GLY N . 27570 1 17 . 1 1 26 26 TYR C C 13 176.610 0.400 . 1 . . . . . 16 TYR C . 27570 1 18 . 1 1 26 26 TYR CA C 13 59.460 0.400 . 1 . . . . . 16 TYR CA . 27570 1 19 . 1 1 26 26 TYR CD1 C 13 133.850 0.400 . 3 . . . . . 16 TYR CD1 . 27570 1 20 . 1 1 26 26 TYR CE2 C 13 117.470 0.400 . 3 . . . . . 16 TYR CE2 . 27570 1 21 . 1 1 26 26 TYR N N 15 119.520 0.400 . 1 . . . . . 16 TYR N . 27570 1 22 . 1 1 29 29 LYS C C 13 180.050 0.400 . 1 . . . . . 19 LYS C . 27570 1 23 . 1 1 29 29 LYS CA C 13 59.250 0.400 . 1 . . . . . 19 LYS CA . 27570 1 24 . 1 1 29 29 LYS CB C 13 32.570 0.400 . 1 . . . . . 19 LYS CB . 27570 1 25 . 1 1 29 29 LYS CG C 13 25.750 0.400 . 1 . . . . . 19 LYS CG . 27570 1 26 . 1 1 29 29 LYS N N 15 116.770 0.400 . 1 . . . . . 19 LYS N . 27570 1 27 . 1 1 30 30 GLY C C 13 174.010 0.400 . 1 . . . . . 20 GLY C . 27570 1 28 . 1 1 30 30 GLY CA C 13 46.560 0.400 . 1 . . . . . 20 GLY CA . 27570 1 29 . 1 1 30 30 GLY N N 15 109.110 0.400 . 1 . . . . . 20 GLY N . 27570 1 30 . 1 1 31 31 LEU C C 13 177.730 0.400 . 1 . . . . . 21 LEU C . 27570 1 31 . 1 1 31 31 LEU CA C 13 57.500 0.400 . 1 . . . . . 21 LEU CA . 27570 1 32 . 1 1 31 31 LEU CB C 13 41.670 0.400 . 1 . . . . . 21 LEU CB . 27570 1 33 . 1 1 31 31 LEU CG C 13 26.020 0.400 . 1 . . . . . 21 LEU CG . 27570 1 34 . 1 1 31 31 LEU CD1 C 13 23.450 0.400 . 2 . . . . . 21 LEU CD1 . 27570 1 35 . 1 1 31 31 LEU N N 15 121.550 0.400 . 1 . . . . . 21 LEU N . 27570 1 36 . 1 1 32 32 ARG C C 13 177.030 0.400 . 1 . . . . . 22 ARG C . 27570 1 37 . 1 1 32 32 ARG CA C 13 59.160 0.400 . 1 . . . . . 22 ARG CA . 27570 1 38 . 1 1 32 32 ARG CB C 13 29.780 0.400 . 1 . . . . . 22 ARG CB . 27570 1 39 . 1 1 32 32 ARG CG C 13 29.820 0.400 . 1 . . . . . 22 ARG CG . 27570 1 40 . 1 1 32 32 ARG CD C 13 44.300 0.400 . 1 . . . . . 22 ARG CD . 27570 1 41 . 1 1 32 32 ARG N N 15 120.400 0.400 . 1 . . . . . 22 ARG N . 27570 1 42 . 1 1 33 33 ALA C C 13 180.190 0.400 . 1 . . . . . 23 ALA C . 27570 1 43 . 1 1 33 33 ALA CA C 13 54.410 0.400 . 1 . . . . . 23 ALA CA . 27570 1 44 . 1 1 33 33 ALA CB C 13 18.390 0.400 . 1 . . . . . 23 ALA CB . 27570 1 45 . 1 1 33 33 ALA N N 15 118.360 0.400 . 1 . . . . . 23 ALA N . 27570 1 46 . 1 1 34 34 ALA C C 13 176.860 0.400 . 1 . . . . . 24 ALA C . 27570 1 47 . 1 1 34 34 ALA CA C 13 54.810 0.400 . 1 . . . . . 24 ALA CA . 27570 1 48 . 1 1 34 34 ALA CB C 13 15.750 0.400 . 1 . . . . . 24 ALA CB . 27570 1 49 . 1 1 34 34 ALA N N 15 121.800 0.400 . 1 . . . . . 24 ALA N . 27570 1 50 . 1 1 35 35 TRP C C 13 176.510 0.400 . 1 . . . . . 25 TRP C . 27570 1 51 . 1 1 35 35 TRP CA C 13 60.750 0.400 . 1 . . . . . 25 TRP CA . 27570 1 52 . 1 1 35 35 TRP CB C 13 29.280 0.400 . 1 . . . . . 25 TRP CB . 27570 1 53 . 1 1 35 35 TRP CG C 13 110.670 0.400 . 1 . . . . . 25 TRP CG . 27570 1 54 . 1 1 35 35 TRP CD1 C 13 126.590 0.400 . 1 . . . . . 25 TRP CD1 . 27570 1 55 . 1 1 35 35 TRP N N 15 116.310 0.400 . 1 . . . . . 25 TRP N . 27570 1 56 . 1 1 36 36 ILE C C 13 177.810 0.400 . 1 . . . . . 26 ILE C . 27570 1 57 . 1 1 36 36 ILE CA C 13 63.940 0.400 . 1 . . . . . 26 ILE CA . 27570 1 58 . 1 1 36 36 ILE CB C 13 38.490 0.400 . 1 . . . . . 26 ILE CB . 27570 1 59 . 1 1 36 36 ILE CG1 C 13 28.840 0.400 . 1 . . . . . 26 ILE CG1 . 27570 1 60 . 1 1 36 36 ILE CG2 C 13 17.010 0.400 . 1 . . . . . 26 ILE CG2 . 27570 1 61 . 1 1 36 36 ILE CD1 C 13 13.280 0.400 . 1 . . . . . 26 ILE CD1 . 27570 1 62 . 1 1 36 36 ILE N N 15 113.330 0.400 . 1 . . . . . 26 ILE N . 27570 1 63 . 1 1 37 37 ASN C C 13 174.960 0.400 . 1 . . . . . 27 ASN C . 27570 1 64 . 1 1 37 37 ASN CA C 13 55.360 0.400 . 1 . . . . . 27 ASN CA . 27570 1 65 . 1 1 37 37 ASN CB C 13 41.220 0.400 . 1 . . . . . 27 ASN CB . 27570 1 66 . 1 1 37 37 ASN CG C 13 176.900 0.400 . 1 . . . . . 27 ASN CG . 27570 1 67 . 1 1 37 37 ASN N N 15 111.210 0.400 . 1 . . . . . 27 ASN N . 27570 1 68 . 1 1 38 38 GLU C C 13 174.690 0.400 . 1 . . . . . 28 GLU C . 27570 1 69 . 1 1 38 38 GLU CA C 13 53.420 0.400 . 1 . . . . . 28 GLU CA . 27570 1 70 . 1 1 38 38 GLU CB C 13 28.630 0.400 . 1 . . . . . 28 GLU CB . 27570 1 71 . 1 1 38 38 GLU CG C 13 32.910 0.400 . 1 . . . . . 28 GLU CG . 27570 1 72 . 1 1 38 38 GLU CD C 13 180.870 0.400 . 1 . . . . . 28 GLU CD . 27570 1 73 . 1 1 38 38 GLU N N 15 117.460 0.400 . 1 . . . . . 28 GLU N . 27570 1 74 . 1 1 39 39 ALA C C 13 178.950 0.400 . 1 . . . . . 29 ALA C . 27570 1 75 . 1 1 39 39 ALA CA C 13 55.330 0.400 . 1 . . . . . 29 ALA CA . 27570 1 76 . 1 1 39 39 ALA CB C 13 18.240 0.400 . 1 . . . . . 29 ALA CB . 27570 1 77 . 1 1 39 39 ALA N N 15 130.720 0.400 . 1 . . . . . 29 ALA N . 27570 1 78 . 1 1 40 40 ALA C C 13 179.250 0.400 . 1 . . . . . 30 ALA C . 27570 1 79 . 1 1 40 40 ALA CA C 13 54.830 0.400 . 1 . . . . . 30 ALA CA . 27570 1 80 . 1 1 40 40 ALA CB C 13 18.010 0.400 . 1 . . . . . 30 ALA CB . 27570 1 81 . 1 1 40 40 ALA N N 15 116.250 0.400 . 1 . . . . . 30 ALA N . 27570 1 82 . 1 1 41 41 PHE C C 13 176.770 0.400 . 1 . . . . . 31 PHE C . 27570 1 83 . 1 1 41 41 PHE CA C 13 61.360 0.400 . 1 . . . . . 31 PHE CA . 27570 1 84 . 1 1 41 41 PHE CB C 13 39.310 0.400 . 1 . . . . . 31 PHE CB . 27570 1 85 . 1 1 41 41 PHE CG C 13 139.330 0.400 . 1 . . . . . 31 PHE CG . 27570 1 86 . 1 1 41 41 PHE CD1 C 13 131.200 0.400 . 3 . . . . . 31 PHE CD1 . 27570 1 87 . 1 1 41 41 PHE N N 15 114.630 0.400 . 1 . . . . . 31 PHE N . 27570 1 88 . 1 1 42 42 ARG C C 13 178.040 0.400 . 1 . . . . . 32 ARG C . 27570 1 89 . 1 1 42 42 ARG CA C 13 58.930 0.400 . 1 . . . . . 32 ARG CA . 27570 1 90 . 1 1 42 42 ARG CB C 13 31.500 0.400 . 1 . . . . . 32 ARG CB . 27570 1 91 . 1 1 42 42 ARG CG C 13 27.900 0.400 . 1 . . . . . 32 ARG CG . 27570 1 92 . 1 1 42 42 ARG CD C 13 43.940 0.400 . 1 . . . . . 32 ARG CD . 27570 1 93 . 1 1 42 42 ARG CZ C 13 158.750 0.400 . 1 . . . . . 32 ARG CZ . 27570 1 94 . 1 1 42 42 ARG N N 15 116.470 0.400 . 1 . . . . . 32 ARG N . 27570 1 95 . 1 1 42 42 ARG NE N 15 83.320 0.400 . 1 . . . . . 32 ARG NE . 27570 1 96 . 1 1 42 42 ARG NH1 N 15 69.980 0.400 . 1 . . . . . 32 ARG NH1 . 27570 1 97 . 1 1 42 42 ARG NH2 N 15 69.980 0.400 . 1 . . . . . 32 ARG NH2 . 27570 1 98 . 1 1 43 43 GLN C C 13 179.520 0.400 . 1 . . . . . 33 GLN C . 27570 1 99 . 1 1 43 43 GLN CA C 13 59.360 0.400 . 1 . . . . . 33 GLN CA . 27570 1 100 . 1 1 43 43 GLN CB C 13 27.860 0.400 . 1 . . . . . 33 GLN CB . 27570 1 101 . 1 1 43 43 GLN CG C 13 33.840 0.400 . 1 . . . . . 33 GLN CG . 27570 1 102 . 1 1 43 43 GLN N N 15 115.090 0.400 . 1 . . . . . 33 GLN N . 27570 1 103 . 1 1 44 44 GLU C C 13 177.020 0.400 . 1 . . . . . 34 GLU C . 27570 1 104 . 1 1 44 44 GLU CA C 13 59.050 0.400 . 1 . . . . . 34 GLU CA . 27570 1 105 . 1 1 44 44 GLU CB C 13 26.950 0.400 . 1 . . . . . 34 GLU CB . 27570 1 106 . 1 1 44 44 GLU CG C 13 34.390 0.400 . 1 . . . . . 34 GLU CG . 27570 1 107 . 1 1 44 44 GLU N N 15 115.680 0.400 . 1 . . . . . 34 GLU N . 27570 1 108 . 1 1 45 45 GLY C C 13 174.590 0.400 . 1 . . . . . 35 GLY C . 27570 1 109 . 1 1 45 45 GLY CA C 13 46.990 0.400 . 1 . . . . . 35 GLY CA . 27570 1 110 . 1 1 45 45 GLY N N 15 107.720 0.400 . 1 . . . . . 35 GLY N . 27570 1 111 . 1 1 46 46 VAL C C 13 176.500 0.400 . 1 . . . . . 36 VAL C . 27570 1 112 . 1 1 46 46 VAL CA C 13 67.070 0.400 . 1 . . . . . 36 VAL CA . 27570 1 113 . 1 1 46 46 VAL CB C 13 32.150 0.400 . 1 . . . . . 36 VAL CB . 27570 1 114 . 1 1 46 46 VAL CG1 C 13 21.550 0.400 . 2 . . . . . 36 VAL CG1 . 27570 1 115 . 1 1 46 46 VAL CG2 C 13 21.550 0.400 . 2 . . . . . 36 VAL CG2 . 27570 1 116 . 1 1 46 46 VAL N N 15 119.170 0.400 . 1 . . . . . 36 VAL N . 27570 1 117 . 1 1 47 47 ALA C C 13 178.140 0.400 . 1 . . . . . 37 ALA C . 27570 1 118 . 1 1 47 47 ALA CA C 13 54.920 0.400 . 1 . . . . . 37 ALA CA . 27570 1 119 . 1 1 47 47 ALA CB C 13 19.350 0.400 . 1 . . . . . 37 ALA CB . 27570 1 120 . 1 1 47 47 ALA N N 15 118.850 0.400 . 1 . . . . . 37 ALA N . 27570 1 121 . 1 1 48 48 VAL C C 13 178.160 0.400 . 1 . . . . . 38 VAL C . 27570 1 122 . 1 1 48 48 VAL CA C 13 67.300 0.400 . 1 . . . . . 38 VAL CA . 27570 1 123 . 1 1 48 48 VAL CB C 13 31.080 0.400 . 1 . . . . . 38 VAL CB . 27570 1 124 . 1 1 48 48 VAL N N 15 117.040 0.400 . 1 . . . . . 38 VAL N . 27570 1 125 . 1 1 49 49 LEU C C 13 178.320 0.400 . 1 . . . . . 39 LEU C . 27570 1 126 . 1 1 49 49 LEU N N 15 117.440 0.400 . 1 . . . . . 39 LEU N . 27570 1 127 . 1 1 50 50 LEU C C 13 177.740 0.400 . 1 . . . . . 40 LEU C . 27570 1 128 . 1 1 50 50 LEU CA C 13 58.250 0.400 . 1 . . . . . 40 LEU CA . 27570 1 129 . 1 1 50 50 LEU CB C 13 41.140 0.400 . 1 . . . . . 40 LEU CB . 27570 1 130 . 1 1 50 50 LEU CG C 13 26.940 0.400 . 1 . . . . . 40 LEU CG . 27570 1 131 . 1 1 50 50 LEU N N 15 117.350 0.400 . 1 . . . . . 40 LEU N . 27570 1 132 . 1 1 51 51 ALA C C 13 179.250 0.400 . 1 . . . . . 41 ALA C . 27570 1 133 . 1 1 51 51 ALA CA C 13 55.110 0.400 . 1 . . . . . 41 ALA CA . 27570 1 134 . 1 1 51 51 ALA CB C 13 18.010 0.400 . 1 . . . . . 41 ALA CB . 27570 1 135 . 1 1 51 51 ALA N N 15 117.240 0.400 . 1 . . . . . 41 ALA N . 27570 1 136 . 1 1 52 52 VAL C C 13 177.960 0.400 . 1 . . . . . 42 VAL C . 27570 1 137 . 1 1 52 52 VAL CA C 13 67.260 0.400 . 1 . . . . . 42 VAL CA . 27570 1 138 . 1 1 52 52 VAL CB C 13 31.020 0.400 . 1 . . . . . 42 VAL CB . 27570 1 139 . 1 1 52 52 VAL CG1 C 13 22.940 0.400 . 2 . . . . . 42 VAL CG1 . 27570 1 140 . 1 1 52 52 VAL CG2 C 13 22.940 0.400 . 2 . . . . . 42 VAL CG2 . 27570 1 141 . 1 1 52 52 VAL N N 15 118.130 0.400 . 1 . . . . . 42 VAL N . 27570 1 142 . 1 1 53 53 VAL C C 13 177.790 0.400 . 1 . . . . . 43 VAL C . 27570 1 143 . 1 1 53 53 VAL CA C 13 67.720 0.400 . 1 . . . . . 43 VAL CA . 27570 1 144 . 1 1 53 53 VAL CB C 13 30.750 0.400 . 1 . . . . . 43 VAL CB . 27570 1 145 . 1 1 53 53 VAL CG1 C 13 22.260 0.400 . 2 . . . . . 43 VAL CG1 . 27570 1 146 . 1 1 53 53 VAL CG2 C 13 22.260 0.400 . 2 . . . . . 43 VAL CG2 . 27570 1 147 . 1 1 53 53 VAL N N 15 119.610 0.400 . 1 . . . . . 43 VAL N . 27570 1 148 . 1 1 54 54 ILE C C 13 177.770 0.400 . 1 . . . . . 44 ILE C . 27570 1 149 . 1 1 54 54 ILE CA C 13 65.960 0.400 . 1 . . . . . 44 ILE CA . 27570 1 150 . 1 1 54 54 ILE CB C 13 37.560 0.400 . 1 . . . . . 44 ILE CB . 27570 1 151 . 1 1 54 54 ILE CG1 C 13 29.750 0.400 . 1 . . . . . 44 ILE CG1 . 27570 1 152 . 1 1 54 54 ILE CG2 C 13 17.010 0.400 . 1 . . . . . 44 ILE CG2 . 27570 1 153 . 1 1 54 54 ILE CD1 C 13 13.330 0.400 . 1 . . . . . 44 ILE CD1 . 27570 1 154 . 1 1 54 54 ILE N N 15 118.740 0.400 . 1 . . . . . 44 ILE N . 27570 1 155 . 1 1 55 55 ALA C C 13 179.150 0.400 . 1 . . . . . 45 ALA C . 27570 1 156 . 1 1 55 55 ALA CA C 13 54.950 0.400 . 1 . . . . . 45 ALA CA . 27570 1 157 . 1 1 55 55 ALA CB C 13 18.830 0.400 . 1 . . . . . 45 ALA CB . 27570 1 158 . 1 1 55 55 ALA N N 15 120.510 0.400 . 1 . . . . . 45 ALA N . 27570 1 159 . 1 1 56 56 CYS C C 13 172.570 0.400 . 1 . . . . . 46 CYS C . 27570 1 160 . 1 1 56 56 CYS CA C 13 63.160 0.400 . 1 . . . . . 46 CYS CA . 27570 1 161 . 1 1 56 56 CYS CB C 13 27.620 0.400 . 1 . . . . . 46 CYS CB . 27570 1 162 . 1 1 56 56 CYS N N 15 113.210 0.400 . 1 . . . . . 46 CYS N . 27570 1 163 . 1 1 57 57 TRP C C 13 176.970 0.400 . 1 . . . . . 47 TRP C . 27570 1 164 . 1 1 57 57 TRP CA C 13 58.170 0.400 . 1 . . . . . 47 TRP CA . 27570 1 165 . 1 1 57 57 TRP CB C 13 30.720 0.400 . 1 . . . . . 47 TRP CB . 27570 1 166 . 1 1 57 57 TRP N N 15 121.360 0.400 . 1 . . . . . 47 TRP N . 27570 1 167 . 1 1 58 58 LEU C C 13 176.560 0.400 . 1 . . . . . 48 LEU C . 27570 1 168 . 1 1 58 58 LEU CA C 13 54.880 0.400 . 1 . . . . . 48 LEU CA . 27570 1 169 . 1 1 58 58 LEU CB C 13 44.480 0.400 . 1 . . . . . 48 LEU CB . 27570 1 170 . 1 1 58 58 LEU CG C 13 26.370 0.400 . 1 . . . . . 48 LEU CG . 27570 1 171 . 1 1 58 58 LEU CD1 C 13 23.350 0.400 . 2 . . . . . 48 LEU CD1 . 27570 1 172 . 1 1 58 58 LEU N N 15 116.030 0.400 . 1 . . . . . 48 LEU N . 27570 1 173 . 1 1 59 59 ASP C C 13 176.030 0.400 . 1 . . . . . 49 ASP C . 27570 1 174 . 1 1 59 59 ASP CA C 13 52.590 0.400 . 1 . . . . . 49 ASP CA . 27570 1 175 . 1 1 59 59 ASP CB C 13 39.280 0.400 . 1 . . . . . 49 ASP CB . 27570 1 176 . 1 1 59 59 ASP N N 15 123.000 0.400 . 1 . . . . . 49 ASP N . 27570 1 177 . 1 1 60 60 VAL C C 13 174.870 0.400 . 1 . . . . . 50 VAL C . 27570 1 178 . 1 1 60 60 VAL CA C 13 58.020 0.400 . 1 . . . . . 50 VAL CA . 27570 1 179 . 1 1 60 60 VAL CB C 13 33.380 0.400 . 1 . . . . . 50 VAL CB . 27570 1 180 . 1 1 60 60 VAL CG1 C 13 20.290 0.400 . 2 . . . . . 50 VAL CG1 . 27570 1 181 . 1 1 60 60 VAL CG2 C 13 17.350 0.400 . 2 . . . . . 50 VAL CG2 . 27570 1 182 . 1 1 60 60 VAL N N 15 109.850 0.400 . 1 . . . . . 50 VAL N . 27570 1 183 . 1 1 61 61 ASP C C 13 174.530 0.400 . 1 . . . . . 51 ASP C . 27570 1 184 . 1 1 61 61 ASP CA C 13 52.710 0.400 . 1 . . . . . 51 ASP CA . 27570 1 185 . 1 1 61 61 ASP CB C 13 41.670 0.400 . 1 . . . . . 51 ASP CB . 27570 1 186 . 1 1 61 61 ASP CG C 13 180.040 0.400 . 1 . . . . . 51 ASP CG . 27570 1 187 . 1 1 61 61 ASP N N 15 117.780 0.400 . 1 . . . . . 51 ASP N . 27570 1 188 . 1 1 62 62 ALA C C 13 178.540 0.400 . 1 . . . . . 52 ALA C . 27570 1 189 . 1 1 62 62 ALA CA C 13 55.390 0.400 . 1 . . . . . 52 ALA CA . 27570 1 190 . 1 1 62 62 ALA CB C 13 19.180 0.400 . 1 . . . . . 52 ALA CB . 27570 1 191 . 1 1 62 62 ALA N N 15 121.130 0.400 . 1 . . . . . 52 ALA N . 27570 1 192 . 1 1 63 63 ILE C C 13 177.280 0.400 . 1 . . . . . 53 ILE C . 27570 1 193 . 1 1 63 63 ILE CA C 13 65.310 0.400 . 1 . . . . . 53 ILE CA . 27570 1 194 . 1 1 63 63 ILE CB C 13 37.140 0.400 . 1 . . . . . 53 ILE CB . 27570 1 195 . 1 1 63 63 ILE CG1 C 13 29.670 0.400 . 1 . . . . . 53 ILE CG1 . 27570 1 196 . 1 1 63 63 ILE CG2 C 13 18.890 0.400 . 1 . . . . . 53 ILE CG2 . 27570 1 197 . 1 1 63 63 ILE CD1 C 13 13.350 0.400 . 1 . . . . . 53 ILE CD1 . 27570 1 198 . 1 1 63 63 ILE N N 15 116.010 0.400 . 1 . . . . . 53 ILE N . 27570 1 199 . 1 1 64 64 THR C C 13 175.450 0.400 . 1 . . . . . 54 THR C . 27570 1 200 . 1 1 64 64 THR CA C 13 67.450 0.400 . 1 . . . . . 54 THR CA . 27570 1 201 . 1 1 64 64 THR CG2 C 13 21.090 0.400 . 1 . . . . . 54 THR CG2 . 27570 1 202 . 1 1 64 64 THR N N 15 115.950 0.400 . 1 . . . . . 54 THR N . 27570 1 203 . 1 1 65 65 ARG C C 13 177.620 0.400 . 1 . . . . . 55 ARG C . 27570 1 204 . 1 1 65 65 ARG CA C 13 60.870 0.400 . 1 . . . . . 55 ARG CA . 27570 1 205 . 1 1 65 65 ARG CB C 13 29.370 0.400 . 1 . . . . . 55 ARG CB . 27570 1 206 . 1 1 65 65 ARG CG C 13 27.970 0.400 . 1 . . . . . 55 ARG CG . 27570 1 207 . 1 1 65 65 ARG CD C 13 42.700 0.400 . 1 . . . . . 55 ARG CD . 27570 1 208 . 1 1 65 65 ARG N N 15 119.970 0.400 . 1 . . . . . 55 ARG N . 27570 1 209 . 1 1 66 66 VAL C C 13 178.360 0.400 . 1 . . . . . 56 VAL C . 27570 1 210 . 1 1 66 66 VAL CA C 13 67.230 0.400 . 1 . . . . . 56 VAL CA . 27570 1 211 . 1 1 66 66 VAL CB C 13 31.010 0.400 . 1 . . . . . 56 VAL CB . 27570 1 212 . 1 1 66 66 VAL CG1 C 13 24.370 0.400 . 2 . . . . . 56 VAL CG1 . 27570 1 213 . 1 1 66 66 VAL CG2 C 13 23.390 0.400 . 2 . . . . . 56 VAL CG2 . 27570 1 214 . 1 1 66 66 VAL N N 15 116.130 0.400 . 1 . . . . . 56 VAL N . 27570 1 215 . 1 1 67 67 LEU C C 13 179.870 0.400 . 1 . . . . . 57 LEU C . 27570 1 216 . 1 1 67 67 LEU CA C 13 57.670 0.400 . 1 . . . . . 57 LEU CA . 27570 1 217 . 1 1 67 67 LEU CB C 13 42.600 0.400 . 1 . . . . . 57 LEU CB . 27570 1 218 . 1 1 67 67 LEU CD1 C 13 26.620 0.400 . 2 . . . . . 57 LEU CD1 . 27570 1 219 . 1 1 67 67 LEU N N 15 122.240 0.400 . 1 . . . . . 57 LEU N . 27570 1 220 . 1 1 68 68 LEU C C 13 179.050 0.400 . 1 . . . . . 58 LEU C . 27570 1 221 . 1 1 68 68 LEU CA C 13 57.670 0.400 . 1 . . . . . 58 LEU CA . 27570 1 222 . 1 1 68 68 LEU CB C 13 39.960 0.400 . 1 . . . . . 58 LEU CB . 27570 1 223 . 1 1 68 68 LEU CG C 13 27.020 0.400 . 1 . . . . . 58 LEU CG . 27570 1 224 . 1 1 68 68 LEU CD1 C 13 25.740 0.400 . 2 . . . . . 58 LEU CD1 . 27570 1 225 . 1 1 68 68 LEU CD2 C 13 24.390 0.400 . 2 . . . . . 58 LEU CD2 . 27570 1 226 . 1 1 68 68 LEU N N 15 120.340 0.400 . 1 . . . . . 58 LEU N . 27570 1 227 . 1 1 69 69 ILE C C 13 178.890 0.400 . 1 . . . . . 59 ILE C . 27570 1 228 . 1 1 69 69 ILE CA C 13 65.290 0.400 . 1 . . . . . 59 ILE CA . 27570 1 229 . 1 1 69 69 ILE CB C 13 38.990 0.400 . 1 . . . . . 59 ILE CB . 27570 1 230 . 1 1 69 69 ILE CG1 C 13 29.000 0.400 . 1 . . . . . 59 ILE CG1 . 27570 1 231 . 1 1 69 69 ILE CG2 C 13 17.930 0.400 . 1 . . . . . 59 ILE CG2 . 27570 1 232 . 1 1 69 69 ILE CD1 C 13 16.120 0.400 . 1 . . . . . 59 ILE CD1 . 27570 1 233 . 1 1 69 69 ILE N N 15 116.140 0.400 . 1 . . . . . 59 ILE N . 27570 1 234 . 1 1 70 70 SER C C 13 177.130 0.400 . 1 . . . . . 60 SER C . 27570 1 235 . 1 1 70 70 SER CA C 13 62.560 0.400 . 1 . . . . . 60 SER CA . 27570 1 236 . 1 1 70 70 SER N N 15 116.170 0.400 . 1 . . . . . 60 SER N . 27570 1 237 . 1 1 71 71 SER C C 13 177.340 0.400 . 1 . . . . . 61 SER C . 27570 1 238 . 1 1 71 71 SER CA C 13 61.490 0.400 . 1 . . . . . 61 SER CA . 27570 1 239 . 1 1 71 71 SER CB C 13 63.010 0.400 . 1 . . . . . 61 SER CB . 27570 1 240 . 1 1 71 71 SER N N 15 115.070 0.400 . 1 . . . . . 61 SER N . 27570 1 241 . 1 1 72 72 VAL C C 13 177.570 0.400 . 1 . . . . . 62 VAL C . 27570 1 242 . 1 1 72 72 VAL CA C 13 64.240 0.400 . 1 . . . . . 62 VAL CA . 27570 1 243 . 1 1 72 72 VAL CB C 13 30.410 0.400 . 1 . . . . . 62 VAL CB . 27570 1 244 . 1 1 72 72 VAL CG1 C 13 23.310 0.400 . 2 . . . . . 62 VAL CG1 . 27570 1 245 . 1 1 72 72 VAL CG2 C 13 19.380 0.400 . 2 . . . . . 62 VAL CG2 . 27570 1 246 . 1 1 72 72 VAL N N 15 114.400 0.400 . 1 . . . . . 62 VAL N . 27570 1 247 . 1 1 73 73 MET C C 13 179.250 0.400 . 1 . . . . . 63 MET C . 27570 1 248 . 1 1 73 73 MET CA C 13 57.150 0.400 . 1 . . . . . 63 MET CA . 27570 1 249 . 1 1 73 73 MET CB C 13 32.890 0.400 . 1 . . . . . 63 MET CB . 27570 1 250 . 1 1 73 73 MET CG C 13 30.610 0.400 . 1 . . . . . 63 MET CG . 27570 1 251 . 1 1 73 73 MET N N 15 119.860 0.400 . 1 . . . . . 63 MET N . 27570 1 252 . 1 1 74 74 LEU C C 13 178.180 0.400 . 1 . . . . . 64 LEU C . 27570 1 253 . 1 1 74 74 LEU CA C 13 57.710 0.400 . 1 . . . . . 64 LEU CA . 27570 1 254 . 1 1 74 74 LEU CB C 13 39.980 0.400 . 1 . . . . . 64 LEU CB . 27570 1 255 . 1 1 74 74 LEU CG C 13 25.130 0.400 . 1 . . . . . 64 LEU CG . 27570 1 256 . 1 1 74 74 LEU CD1 C 13 22.430 0.400 . 2 . . . . . 64 LEU CD1 . 27570 1 257 . 1 1 74 74 LEU N N 15 120.250 0.400 . 1 . . . . . 64 LEU N . 27570 1 258 . 1 1 75 75 VAL C C 13 176.570 0.400 . 1 . . . . . 65 VAL C . 27570 1 259 . 1 1 75 75 VAL CA C 13 66.770 0.400 . 1 . . . . . 65 VAL CA . 27570 1 260 . 1 1 75 75 VAL CB C 13 31.180 0.400 . 1 . . . . . 65 VAL CB . 27570 1 261 . 1 1 75 75 VAL CG1 C 13 21.990 0.400 . 2 . . . . . 65 VAL CG1 . 27570 1 262 . 1 1 75 75 VAL CG2 C 13 20.260 0.400 . 2 . . . . . 65 VAL CG2 . 27570 1 263 . 1 1 75 75 VAL N N 15 115.300 0.400 . 1 . . . . . 65 VAL N . 27570 1 264 . 1 1 76 76 MET C C 13 177.980 0.400 . 1 . . . . . 66 MET C . 27570 1 265 . 1 1 76 76 MET CA C 13 56.640 0.400 . 1 . . . . . 66 MET CA . 27570 1 266 . 1 1 76 76 MET CB C 13 31.470 0.400 . 1 . . . . . 66 MET CB . 27570 1 267 . 1 1 76 76 MET N N 15 112.890 0.400 . 1 . . . . . 66 MET N . 27570 1 268 . 1 1 77 77 ILE C C 13 176.630 0.400 . 1 . . . . . 67 ILE C . 27570 1 269 . 1 1 77 77 ILE CA C 13 65.770 0.400 . 1 . . . . . 67 ILE CA . 27570 1 270 . 1 1 77 77 ILE CB C 13 38.010 0.400 . 1 . . . . . 67 ILE CB . 27570 1 271 . 1 1 77 77 ILE CG1 C 13 28.930 0.400 . 1 . . . . . 67 ILE CG1 . 27570 1 272 . 1 1 77 77 ILE CG2 C 13 17.250 0.400 . 1 . . . . . 67 ILE CG2 . 27570 1 273 . 1 1 77 77 ILE CD1 C 13 14.240 0.400 . 1 . . . . . 67 ILE CD1 . 27570 1 274 . 1 1 77 77 ILE N N 15 119.090 0.400 . 1 . . . . . 67 ILE N . 27570 1 275 . 1 1 78 78 VAL C C 13 177.230 0.400 . 1 . . . . . 68 VAL C . 27570 1 276 . 1 1 78 78 VAL CA C 13 66.700 0.400 . 1 . . . . . 68 VAL CA . 27570 1 277 . 1 1 78 78 VAL CB C 13 31.020 0.400 . 1 . . . . . 68 VAL CB . 27570 1 278 . 1 1 78 78 VAL CG1 C 13 23.230 0.400 . 2 . . . . . 68 VAL CG1 . 27570 1 279 . 1 1 78 78 VAL CG2 C 13 22.870 0.400 . 2 . . . . . 68 VAL CG2 . 27570 1 280 . 1 1 78 78 VAL N N 15 116.360 0.400 . 1 . . . . . 68 VAL N . 27570 1 281 . 1 1 79 79 GLU C C 13 179.110 0.400 . 1 . . . . . 69 GLU C . 27570 1 282 . 1 1 79 79 GLU CA C 13 58.010 0.400 . 1 . . . . . 69 GLU CA . 27570 1 283 . 1 1 79 79 GLU CB C 13 29.520 0.400 . 1 . . . . . 69 GLU CB . 27570 1 284 . 1 1 79 79 GLU CG C 13 35.330 0.400 . 1 . . . . . 69 GLU CG . 27570 1 285 . 1 1 79 79 GLU CD C 13 181.230 0.400 . 1 . . . . . 69 GLU CD . 27570 1 286 . 1 1 79 79 GLU N N 15 120.910 0.400 . 1 . . . . . 69 GLU N . 27570 1 287 . 1 1 80 80 ILE C C 13 177.260 0.400 . 1 . . . . . 70 ILE C . 27570 1 288 . 1 1 80 80 ILE CA C 13 66.320 0.400 . 1 . . . . . 70 ILE CA . 27570 1 289 . 1 1 80 80 ILE CB C 13 37.180 0.400 . 1 . . . . . 70 ILE CB . 27570 1 290 . 1 1 80 80 ILE CG1 C 13 26.560 0.400 . 1 . . . . . 70 ILE CG1 . 27570 1 291 . 1 1 80 80 ILE CG2 C 13 19.480 0.400 . 1 . . . . . 70 ILE CG2 . 27570 1 292 . 1 1 80 80 ILE CD1 C 13 14.830 0.400 . 1 . . . . . 70 ILE CD1 . 27570 1 293 . 1 1 80 80 ILE N N 15 122.380 0.400 . 1 . . . . . 70 ILE N . 27570 1 294 . 1 1 81 81 LEU C C 13 178.280 0.400 . 1 . . . . . 71 LEU C . 27570 1 295 . 1 1 81 81 LEU CA C 13 57.950 0.400 . 1 . . . . . 71 LEU CA . 27570 1 296 . 1 1 81 81 LEU CB C 13 41.680 0.400 . 1 . . . . . 71 LEU CB . 27570 1 297 . 1 1 81 81 LEU CG C 13 26.560 0.400 . 1 . . . . . 71 LEU CG . 27570 1 298 . 1 1 81 81 LEU CD1 C 13 22.050 0.400 . 2 . . . . . 71 LEU CD1 . 27570 1 299 . 1 1 81 81 LEU N N 15 121.200 0.400 . 1 . . . . . 71 LEU N . 27570 1 300 . 1 1 82 82 ASN C C 13 176.830 0.400 . 1 . . . . . 72 ASN C . 27570 1 301 . 1 1 82 82 ASN CA C 13 56.500 0.400 . 1 . . . . . 72 ASN CA . 27570 1 302 . 1 1 82 82 ASN CB C 13 38.450 0.400 . 1 . . . . . 72 ASN CB . 27570 1 303 . 1 1 82 82 ASN CG C 13 178.260 0.400 . 1 . . . . . 72 ASN CG . 27570 1 304 . 1 1 82 82 ASN N N 15 118.200 0.400 . 1 . . . . . 72 ASN N . 27570 1 305 . 1 1 83 83 SER C C 13 176.060 0.400 . 1 . . . . . 73 SER C . 27570 1 306 . 1 1 83 83 SER CA C 13 62.250 0.400 . 1 . . . . . 73 SER CA . 27570 1 307 . 1 1 83 83 SER CB C 13 63.040 0.400 . 1 . . . . . 73 SER CB . 27570 1 308 . 1 1 83 83 SER N N 15 115.970 0.400 . 1 . . . . . 73 SER N . 27570 1 309 . 1 1 84 84 ALA C C 13 178.330 0.400 . 1 . . . . . 74 ALA C . 27570 1 310 . 1 1 84 84 ALA CA C 13 55.370 0.400 . 1 . . . . . 74 ALA CA . 27570 1 311 . 1 1 84 84 ALA CB C 13 17.540 0.400 . 1 . . . . . 74 ALA CB . 27570 1 312 . 1 1 84 84 ALA N N 15 126.910 0.400 . 1 . . . . . 74 ALA N . 27570 1 313 . 1 1 85 85 ILE C C 13 177.280 0.400 . 1 . . . . . 75 ILE C . 27570 1 314 . 1 1 85 85 ILE CA C 13 65.090 0.400 . 1 . . . . . 75 ILE CA . 27570 1 315 . 1 1 85 85 ILE CB C 13 36.970 0.400 . 1 . . . . . 75 ILE CB . 27570 1 316 . 1 1 85 85 ILE CG1 C 13 29.340 0.400 . 1 . . . . . 75 ILE CG1 . 27570 1 317 . 1 1 85 85 ILE CG2 C 13 16.610 0.400 . 1 . . . . . 75 ILE CG2 . 27570 1 318 . 1 1 85 85 ILE CD1 C 13 12.810 0.400 . 1 . . . . . 75 ILE CD1 . 27570 1 319 . 1 1 85 85 ILE N N 15 118.390 0.400 . 1 . . . . . 75 ILE N . 27570 1 320 . 1 1 86 86 GLU C C 13 176.880 0.400 . 1 . . . . . 76 GLU C . 27570 1 321 . 1 1 86 86 GLU CA C 13 59.990 0.400 . 1 . . . . . 76 GLU CA . 27570 1 322 . 1 1 86 86 GLU CB C 13 28.770 0.400 . 1 . . . . . 76 GLU CB . 27570 1 323 . 1 1 86 86 GLU CG C 13 35.650 0.400 . 1 . . . . . 76 GLU CG . 27570 1 324 . 1 1 86 86 GLU CD C 13 182.670 0.400 . 1 . . . . . 76 GLU CD . 27570 1 325 . 1 1 86 86 GLU N N 15 119.750 0.400 . 1 . . . . . 76 GLU N . 27570 1 326 . 1 1 87 87 ALA C C 13 178.920 0.400 . 1 . . . . . 77 ALA C . 27570 1 327 . 1 1 87 87 ALA CA C 13 55.010 0.400 . 1 . . . . . 77 ALA CA . 27570 1 328 . 1 1 87 87 ALA CB C 13 17.000 0.400 . 1 . . . . . 77 ALA CB . 27570 1 329 . 1 1 87 87 ALA N N 15 119.700 0.400 . 1 . . . . . 77 ALA N . 27570 1 330 . 1 1 88 88 VAL C C 13 177.020 0.400 . 1 . . . . . 78 VAL C . 27570 1 331 . 1 1 88 88 VAL CA C 13 66.270 0.400 . 1 . . . . . 78 VAL CA . 27570 1 332 . 1 1 88 88 VAL CB C 13 30.860 0.400 . 1 . . . . . 78 VAL CB . 27570 1 333 . 1 1 88 88 VAL CG1 C 13 23.530 0.400 . 2 . . . . . 78 VAL CG1 . 27570 1 334 . 1 1 88 88 VAL CG2 C 13 22.960 0.400 . 2 . . . . . 78 VAL CG2 . 27570 1 335 . 1 1 88 88 VAL N N 15 116.340 0.400 . 1 . . . . . 78 VAL N . 27570 1 336 . 1 1 89 89 VAL C C 13 179.050 0.400 . 1 . . . . . 79 VAL C . 27570 1 337 . 1 1 89 89 VAL CA C 13 67.170 0.400 . 1 . . . . . 79 VAL CA . 27570 1 338 . 1 1 89 89 VAL CB C 13 30.950 0.400 . 1 . . . . . 79 VAL CB . 27570 1 339 . 1 1 89 89 VAL CG1 C 13 24.330 0.400 . 2 . . . . . 79 VAL CG1 . 27570 1 340 . 1 1 89 89 VAL CG2 C 13 22.950 0.400 . 2 . . . . . 79 VAL CG2 . 27570 1 341 . 1 1 89 89 VAL N N 15 119.210 0.400 . 1 . . . . . 79 VAL N . 27570 1 342 . 1 1 90 90 ASP C C 13 178.210 0.400 . 1 . . . . . 80 ASP C . 27570 1 343 . 1 1 90 90 ASP CA C 13 56.460 0.400 . 1 . . . . . 80 ASP CA . 27570 1 344 . 1 1 90 90 ASP CB C 13 39.410 0.400 . 1 . . . . . 80 ASP CB . 27570 1 345 . 1 1 90 90 ASP N N 15 120.950 0.400 . 1 . . . . . 80 ASP N . 27570 1 346 . 1 1 91 91 ARG C C 13 178.180 0.400 . 1 . . . . . 81 ARG C . 27570 1 347 . 1 1 91 91 ARG CA C 13 57.450 0.400 . 1 . . . . . 81 ARG CA . 27570 1 348 . 1 1 91 91 ARG CG C 13 27.500 0.400 . 1 . . . . . 81 ARG CG . 27570 1 349 . 1 1 91 91 ARG CD C 13 42.240 0.400 . 1 . . . . . 81 ARG CD . 27570 1 350 . 1 1 91 91 ARG CZ C 13 158.130 0.400 . 1 . . . . . 81 ARG CZ . 27570 1 351 . 1 1 91 91 ARG N N 15 122.540 0.400 . 1 . . . . . 81 ARG N . 27570 1 352 . 1 1 91 91 ARG NE N 15 84.300 0.400 . 1 . . . . . 81 ARG NE . 27570 1 353 . 1 1 91 91 ARG NH1 N 15 71.700 0.400 . 1 . . . . . 81 ARG NH1 . 27570 1 354 . 1 1 91 91 ARG NH2 N 15 71.700 0.400 . 1 . . . . . 81 ARG NH2 . 27570 1 355 . 1 1 92 92 ILE C C 13 176.840 0.400 . 1 . . . . . 82 ILE C . 27570 1 356 . 1 1 92 92 ILE CA C 13 64.490 0.400 . 1 . . . . . 82 ILE CA . 27570 1 357 . 1 1 92 92 ILE CB C 13 37.960 0.400 . 1 . . . . . 82 ILE CB . 27570 1 358 . 1 1 92 92 ILE CG1 C 13 28.860 0.400 . 1 . . . . . 82 ILE CG1 . 27570 1 359 . 1 1 92 92 ILE CG2 C 13 16.320 0.400 . 1 . . . . . 82 ILE CG2 . 27570 1 360 . 1 1 92 92 ILE CD1 C 13 15.160 0.400 . 1 . . . . . 82 ILE CD1 . 27570 1 361 . 1 1 92 92 ILE N N 15 121.110 0.400 . 1 . . . . . 82 ILE N . 27570 1 362 . 1 1 93 93 GLY C C 13 172.690 0.400 . 1 . . . . . 83 GLY C . 27570 1 363 . 1 1 93 93 GLY CA C 13 44.960 0.400 . 1 . . . . . 83 GLY CA . 27570 1 364 . 1 1 93 93 GLY N N 15 105.000 0.400 . 1 . . . . . 83 GLY N . 27570 1 365 . 1 1 94 94 SER C C 13 179.120 0.400 . 1 . . . . . 84 SER C . 27570 1 366 . 1 1 94 94 SER CA C 13 58.340 0.400 . 1 . . . . . 84 SER CA . 27570 1 367 . 1 1 94 94 SER N N 15 121.370 0.400 . 1 . . . . . 84 SER N . 27570 1 368 . 1 1 98 98 GLU C C 13 179.210 0.400 . 1 . . . . . 88 GLU C . 27570 1 369 . 1 1 98 98 GLU CA C 13 59.550 0.400 . 1 . . . . . 88 GLU CA . 27570 1 370 . 1 1 98 98 GLU CB C 13 29.520 0.400 . 1 . . . . . 88 GLU CB . 27570 1 371 . 1 1 98 98 GLU CG C 13 35.360 0.400 . 1 . . . . . 88 GLU CG . 27570 1 372 . 1 1 98 98 GLU N N 15 129.840 0.400 . 1 . . . . . 88 GLU N . 27570 1 373 . 1 1 99 99 LEU C C 13 179.020 0.400 . 1 . . . . . 89 LEU C . 27570 1 374 . 1 1 99 99 LEU CA C 13 57.310 0.400 . 1 . . . . . 89 LEU CA . 27570 1 375 . 1 1 99 99 LEU CB C 13 41.660 0.400 . 1 . . . . . 89 LEU CB . 27570 1 376 . 1 1 99 99 LEU CG C 13 27.080 0.400 . 1 . . . . . 89 LEU CG . 27570 1 377 . 1 1 99 99 LEU N N 15 121.290 0.400 . 1 . . . . . 89 LEU N . 27570 1 378 . 1 1 100 100 SER C C 13 175.470 0.400 . 1 . . . . . 90 SER C . 27570 1 379 . 1 1 100 100 SER CA C 13 62.300 0.400 . 1 . . . . . 90 SER CA . 27570 1 380 . 1 1 100 100 SER CB C 13 62.560 0.400 . 1 . . . . . 90 SER CB . 27570 1 381 . 1 1 100 100 SER N N 15 116.490 0.400 . 1 . . . . . 90 SER N . 27570 1 382 . 1 1 101 101 GLY C C 13 174.750 0.400 . 1 . . . . . 91 GLY C . 27570 1 383 . 1 1 101 101 GLY CA C 13 47.040 0.400 . 1 . . . . . 91 GLY CA . 27570 1 384 . 1 1 101 101 GLY N N 15 106.740 0.400 . 1 . . . . . 91 GLY N . 27570 1 385 . 1 1 102 102 ARG C C 13 177.890 0.400 . 1 . . . . . 92 ARG C . 27570 1 386 . 1 1 102 102 ARG CA C 13 59.020 0.400 . 1 . . . . . 92 ARG CA . 27570 1 387 . 1 1 102 102 ARG CB C 13 31.360 0.400 . 1 . . . . . 92 ARG CB . 27570 1 388 . 1 1 102 102 ARG CG C 13 25.160 0.400 . 1 . . . . . 92 ARG CG . 27570 1 389 . 1 1 102 102 ARG CD C 13 44.270 0.400 . 1 . . . . . 92 ARG CD . 27570 1 390 . 1 1 102 102 ARG CZ C 13 159.390 0.400 . 1 . . . . . 92 ARG CZ . 27570 1 391 . 1 1 102 102 ARG N N 15 120.470 0.400 . 1 . . . . . 92 ARG N . 27570 1 392 . 1 1 102 102 ARG NE N 15 80.770 0.400 . 1 . . . . . 92 ARG NE . 27570 1 393 . 1 1 102 102 ARG NH1 N 15 76.040 0.400 . 1 . . . . . 92 ARG NH1 . 27570 1 394 . 1 1 103 103 ALA C C 13 179.120 0.400 . 1 . . . . . 93 ALA C . 27570 1 395 . 1 1 103 103 ALA CA C 13 55.820 0.400 . 1 . . . . . 93 ALA CA . 27570 1 396 . 1 1 103 103 ALA CB C 13 18.800 0.400 . 1 . . . . . 93 ALA CB . 27570 1 397 . 1 1 103 103 ALA N N 15 119.230 0.400 . 1 . . . . . 93 ALA N . 27570 1 398 . 1 1 104 104 LYS C C 13 179.990 0.400 . 1 . . . . . 94 LYS C . 27570 1 399 . 1 1 104 104 LYS CA C 13 59.410 0.400 . 1 . . . . . 94 LYS CA . 27570 1 400 . 1 1 104 104 LYS CB C 13 32.430 0.400 . 1 . . . . . 94 LYS CB . 27570 1 401 . 1 1 104 104 LYS CG C 13 26.550 0.400 . 1 . . . . . 94 LYS CG . 27570 1 402 . 1 1 104 104 LYS CD C 13 29.860 0.400 . 1 . . . . . 94 LYS CD . 27570 1 403 . 1 1 104 104 LYS CE C 13 41.710 0.400 . 1 . . . . . 94 LYS CE . 27570 1 404 . 1 1 104 104 LYS N N 15 114.080 0.400 . 1 . . . . . 94 LYS N . 27570 1 405 . 1 1 104 104 LYS NZ N 15 33.340 0.400 . 1 . . . . . 94 LYS NZ . 27570 1 406 . 1 1 105 105 ASP C C 13 178.720 0.400 . 1 . . . . . 95 ASP C . 27570 1 407 . 1 1 105 105 ASP CA C 13 57.580 0.400 . 1 . . . . . 95 ASP CA . 27570 1 408 . 1 1 105 105 ASP CB C 13 39.110 0.400 . 1 . . . . . 95 ASP CB . 27570 1 409 . 1 1 105 105 ASP N N 15 122.430 0.400 . 1 . . . . . 95 ASP N . 27570 1 410 . 1 1 106 106 MET C C 13 177.090 0.400 . 1 . . . . . 96 MET C . 27570 1 411 . 1 1 106 106 MET CA C 13 60.260 0.400 . 1 . . . . . 96 MET CA . 27570 1 412 . 1 1 106 106 MET CB C 13 33.920 0.400 . 1 . . . . . 96 MET CB . 27570 1 413 . 1 1 106 106 MET CG C 13 32.090 0.400 . 1 . . . . . 96 MET CG . 27570 1 414 . 1 1 106 106 MET CE C 13 16.910 0.400 . 1 . . . . . 96 MET CE . 27570 1 415 . 1 1 106 106 MET N N 15 119.970 0.400 . 1 . . . . . 96 MET N . 27570 1 416 . 1 1 107 107 GLY C C 13 175.570 0.400 . 1 . . . . . 97 GLY C . 27570 1 417 . 1 1 107 107 GLY CA C 13 47.550 0.400 . 1 . . . . . 97 GLY CA . 27570 1 418 . 1 1 107 107 GLY N N 15 106.660 0.400 . 1 . . . . . 97 GLY N . 27570 1 419 . 1 1 108 108 SER C C 13 177.280 0.400 . 1 . . . . . 98 SER C . 27570 1 420 . 1 1 108 108 SER CA C 13 61.820 0.400 . 1 . . . . . 98 SER CA . 27570 1 421 . 1 1 108 108 SER CB C 13 62.570 0.400 . 1 . . . . . 98 SER CB . 27570 1 422 . 1 1 108 108 SER N N 15 113.650 0.400 . 1 . . . . . 98 SER N . 27570 1 423 . 1 1 109 109 ALA C C 13 178.140 0.400 . 1 . . . . . 99 ALA C . 27570 1 424 . 1 1 109 109 ALA CA C 13 54.340 0.400 . 1 . . . . . 99 ALA CA . 27570 1 425 . 1 1 109 109 ALA CB C 13 17.850 0.400 . 1 . . . . . 99 ALA CB . 27570 1 426 . 1 1 109 109 ALA N N 15 125.370 0.400 . 1 . . . . . 99 ALA N . 27570 1 427 . 1 1 110 110 ALA C C 13 178.620 0.400 . 1 . . . . . 100 ALA C . 27570 1 428 . 1 1 110 110 ALA CA C 13 55.580 0.400 . 1 . . . . . 100 ALA CA . 27570 1 429 . 1 1 110 110 ALA CB C 13 17.940 0.400 . 1 . . . . . 100 ALA CB . 27570 1 430 . 1 1 110 110 ALA N N 15 120.410 0.400 . 1 . . . . . 100 ALA N . 27570 1 431 . 1 1 111 111 VAL C C 13 177.430 0.400 . 1 . . . . . 101 VAL C . 27570 1 432 . 1 1 111 111 VAL CA C 13 66.170 0.400 . 1 . . . . . 101 VAL CA . 27570 1 433 . 1 1 111 111 VAL CB C 13 31.300 0.400 . 1 . . . . . 101 VAL CB . 27570 1 434 . 1 1 111 111 VAL CG1 C 13 21.170 0.400 . 2 . . . . . 101 VAL CG1 . 27570 1 435 . 1 1 111 111 VAL N N 15 116.250 0.400 . 1 . . . . . 101 VAL N . 27570 1 436 . 1 1 112 112 LEU C C 13 178.200 0.400 . 1 . . . . . 102 LEU C . 27570 1 437 . 1 1 112 112 LEU CA C 13 58.160 0.400 . 1 . . . . . 102 LEU CA . 27570 1 438 . 1 1 112 112 LEU CB C 13 40.740 0.400 . 1 . . . . . 102 LEU CB . 27570 1 439 . 1 1 112 112 LEU CG C 13 27.040 0.400 . 1 . . . . . 102 LEU CG . 27570 1 440 . 1 1 112 112 LEU CD1 C 13 23.800 0.400 . 2 . . . . . 102 LEU CD1 . 27570 1 441 . 1 1 112 112 LEU CD2 C 13 22.020 0.400 . 2 . . . . . 102 LEU CD2 . 27570 1 442 . 1 1 112 112 LEU N N 15 119.230 0.400 . 1 . . . . . 102 LEU N . 27570 1 443 . 1 1 113 113 ILE C C 13 177.000 0.400 . 1 . . . . . 103 ILE C . 27570 1 444 . 1 1 113 113 ILE CA C 13 64.630 0.400 . 1 . . . . . 103 ILE CA . 27570 1 445 . 1 1 113 113 ILE CB C 13 36.090 0.400 . 1 . . . . . 103 ILE CB . 27570 1 446 . 1 1 113 113 ILE CG1 C 13 27.450 0.400 . 1 . . . . . 103 ILE CG1 . 27570 1 447 . 1 1 113 113 ILE CG2 C 13 18.790 0.400 . 1 . . . . . 103 ILE CG2 . 27570 1 448 . 1 1 113 113 ILE CD1 C 13 11.070 0.400 . 1 . . . . . 103 ILE CD1 . 27570 1 449 . 1 1 113 113 ILE N N 15 115.820 0.400 . 1 . . . . . 103 ILE N . 27570 1 450 . 1 1 114 114 ALA C C 13 179.590 0.400 . 1 . . . . . 104 ALA C . 27570 1 451 . 1 1 114 114 ALA CA C 13 55.960 0.400 . 1 . . . . . 104 ALA CA . 27570 1 452 . 1 1 114 114 ALA CB C 13 17.020 0.400 . 1 . . . . . 104 ALA CB . 27570 1 453 . 1 1 114 114 ALA N N 15 121.520 0.400 . 1 . . . . . 104 ALA N . 27570 1 454 . 1 1 115 115 ILE C C 13 177.040 0.400 . 1 . . . . . 105 ILE C . 27570 1 455 . 1 1 115 115 ILE CA C 13 66.030 0.400 . 1 . . . . . 105 ILE CA . 27570 1 456 . 1 1 115 115 ILE CB C 13 37.440 0.400 . 1 . . . . . 105 ILE CB . 27570 1 457 . 1 1 115 115 ILE CG1 C 13 30.730 0.400 . 1 . . . . . 105 ILE CG1 . 27570 1 458 . 1 1 115 115 ILE CG2 C 13 16.950 0.400 . 1 . . . . . 105 ILE CG2 . 27570 1 459 . 1 1 115 115 ILE CD1 C 13 12.980 0.400 . 1 . . . . . 105 ILE CD1 . 27570 1 460 . 1 1 115 115 ILE N N 15 120.160 0.400 . 1 . . . . . 105 ILE N . 27570 1 461 . 1 1 116 116 ILE C C 13 177.490 0.400 . 1 . . . . . 106 ILE C . 27570 1 462 . 1 1 116 116 ILE CA C 13 66.120 0.400 . 1 . . . . . 106 ILE CA . 27570 1 463 . 1 1 116 116 ILE CB C 13 37.140 0.400 . 1 . . . . . 106 ILE CB . 27570 1 464 . 1 1 116 116 ILE CG1 C 13 29.400 0.400 . 1 . . . . . 106 ILE CG1 . 27570 1 465 . 1 1 116 116 ILE CG2 C 13 16.710 0.400 . 1 . . . . . 106 ILE CG2 . 27570 1 466 . 1 1 116 116 ILE CD1 C 13 12.920 0.400 . 1 . . . . . 106 ILE CD1 . 27570 1 467 . 1 1 116 116 ILE N N 15 120.130 0.400 . 1 . . . . . 106 ILE N . 27570 1 468 . 1 1 117 117 VAL C C 13 178.580 0.400 . 1 . . . . . 107 VAL C . 27570 1 469 . 1 1 117 117 VAL CA C 13 67.080 0.400 . 1 . . . . . 107 VAL CA . 27570 1 470 . 1 1 117 117 VAL CB C 13 31.060 0.400 . 1 . . . . . 107 VAL CB . 27570 1 471 . 1 1 117 117 VAL CG1 C 13 22.880 0.400 . 2 . . . . . 107 VAL CG1 . 27570 1 472 . 1 1 117 117 VAL CG2 C 13 22.880 0.400 . 2 . . . . . 107 VAL CG2 . 27570 1 473 . 1 1 117 117 VAL N N 15 118.350 0.400 . 1 . . . . . 107 VAL N . 27570 1 474 . 1 1 118 118 ALA C C 13 178.220 0.400 . 1 . . . . . 108 ALA C . 27570 1 475 . 1 1 118 118 ALA CA C 13 56.070 0.400 . 1 . . . . . 108 ALA CA . 27570 1 476 . 1 1 118 118 ALA CB C 13 16.670 0.400 . 1 . . . . . 108 ALA CB . 27570 1 477 . 1 1 118 118 ALA N N 15 126.540 0.400 . 1 . . . . . 108 ALA N . 27570 1 478 . 1 1 119 119 VAL C C 13 178.170 0.400 . 1 . . . . . 109 VAL C . 27570 1 479 . 1 1 119 119 VAL CA C 13 67.190 0.400 . 1 . . . . . 109 VAL CA . 27570 1 480 . 1 1 119 119 VAL CB C 13 30.990 0.400 . 1 . . . . . 109 VAL CB . 27570 1 481 . 1 1 119 119 VAL CG1 C 13 22.000 0.400 . 2 . . . . . 109 VAL CG1 . 27570 1 482 . 1 1 119 119 VAL CG2 C 13 22.910 0.400 . 2 . . . . . 109 VAL CG2 . 27570 1 483 . 1 1 119 119 VAL N N 15 117.620 0.400 . 1 . . . . . 109 VAL N . 27570 1 484 . 1 1 120 120 ILE C C 13 176.720 0.400 . 1 . . . . . 110 ILE C . 27570 1 485 . 1 1 120 120 ILE CA C 13 66.290 0.400 . 1 . . . . . 110 ILE CA . 27570 1 486 . 1 1 120 120 ILE CB C 13 38.400 0.400 . 1 . . . . . 110 ILE CB . 27570 1 487 . 1 1 120 120 ILE CG1 C 13 29.780 0.400 . 1 . . . . . 110 ILE CG1 . 27570 1 488 . 1 1 120 120 ILE CG2 C 13 17.040 0.400 . 1 . . . . . 110 ILE CG2 . 27570 1 489 . 1 1 120 120 ILE CD1 C 13 13.270 0.400 . 1 . . . . . 110 ILE CD1 . 27570 1 490 . 1 1 120 120 ILE N N 15 118.960 0.400 . 1 . . . . . 110 ILE N . 27570 1 491 . 1 1 121 121 THR C C 13 175.140 0.400 . 1 . . . . . 111 THR C . 27570 1 492 . 1 1 121 121 THR CA C 13 67.900 0.400 . 1 . . . . . 111 THR CA . 27570 1 493 . 1 1 121 121 THR CB C 13 68.500 0.400 . 1 . . . . . 111 THR CB . 27570 1 494 . 1 1 121 121 THR CG2 C 13 20.770 0.400 . 1 . . . . . 111 THR CG2 . 27570 1 495 . 1 1 121 121 THR N N 15 116.610 0.400 . 1 . . . . . 111 THR N . 27570 1 496 . 1 1 122 122 TRP C C 13 177.880 0.400 . 1 . . . . . 112 TRP C . 27570 1 497 . 1 1 122 122 TRP CA C 13 62.900 0.400 . 1 . . . . . 112 TRP CA . 27570 1 498 . 1 1 122 122 TRP CB C 13 27.390 0.400 . 1 . . . . . 112 TRP CB . 27570 1 499 . 1 1 122 122 TRP CD1 C 13 125.680 0.400 . 1 . . . . . 112 TRP CD1 . 27570 1 500 . 1 1 122 122 TRP CD2 C 13 130.410 0.400 . 1 . . . . . 112 TRP CD2 . 27570 1 501 . 1 1 122 122 TRP CE2 C 13 137.550 0.400 . 1 . . . . . 112 TRP CE2 . 27570 1 502 . 1 1 122 122 TRP CE3 C 13 118.980 0.400 . 1 . . . . . 112 TRP CE3 . 27570 1 503 . 1 1 122 122 TRP CZ2 C 13 114.760 0.400 . 1 . . . . . 112 TRP CZ2 . 27570 1 504 . 1 1 122 122 TRP CZ3 C 13 120.840 0.400 . 1 . . . . . 112 TRP CZ3 . 27570 1 505 . 1 1 122 122 TRP CH2 C 13 123.760 0.400 . 1 . . . . . 112 TRP CH2 . 27570 1 506 . 1 1 122 122 TRP N N 15 120.500 0.400 . 1 . . . . . 112 TRP N . 27570 1 507 . 1 1 122 122 TRP NE1 N 15 130.660 0.400 . 1 . . . . . 112 TRP NE1 . 27570 1 508 . 1 1 123 123 CYS C C 13 176.330 0.400 . 1 . . . . . 113 CYS C . 27570 1 509 . 1 1 123 123 CYS CA C 13 64.950 0.400 . 1 . . . . . 113 CYS CA . 27570 1 510 . 1 1 123 123 CYS CB C 13 27.450 0.400 . 1 . . . . . 113 CYS CB . 27570 1 511 . 1 1 123 123 CYS N N 15 115.390 0.400 . 1 . . . . . 113 CYS N . 27570 1 512 . 1 1 124 124 ILE C C 13 178.760 0.400 . 1 . . . . . 114 ILE C . 27570 1 513 . 1 1 124 124 ILE CA C 13 65.740 0.400 . 1 . . . . . 114 ILE CA . 27570 1 514 . 1 1 124 124 ILE CB C 13 37.700 0.400 . 1 . . . . . 114 ILE CB . 27570 1 515 . 1 1 124 124 ILE CG1 C 13 27.380 0.400 . 1 . . . . . 114 ILE CG1 . 27570 1 516 . 1 1 124 124 ILE CD1 C 13 13.750 0.400 . 1 . . . . . 114 ILE CD1 . 27570 1 517 . 1 1 124 124 ILE N N 15 116.270 0.400 . 1 . . . . . 114 ILE N . 27570 1 518 . 1 1 125 125 LEU C C 13 180.150 0.400 . 1 . . . . . 115 LEU C . 27570 1 519 . 1 1 125 125 LEU CA C 13 57.440 0.400 . 1 . . . . . 115 LEU CA . 27570 1 520 . 1 1 125 125 LEU CB C 13 40.710 0.400 . 1 . . . . . 115 LEU CB . 27570 1 521 . 1 1 125 125 LEU CG C 13 26.630 0.400 . 1 . . . . . 115 LEU CG . 27570 1 522 . 1 1 125 125 LEU CD1 C 13 22.520 0.400 . 2 . . . . . 115 LEU CD1 . 27570 1 523 . 1 1 125 125 LEU N N 15 116.250 0.400 . 1 . . . . . 115 LEU N . 27570 1 524 . 1 1 126 126 LEU C C 13 178.240 0.400 . 1 . . . . . 116 LEU C . 27570 1 525 . 1 1 126 126 LEU CA C 13 57.690 0.400 . 1 . . . . . 116 LEU CA . 27570 1 526 . 1 1 126 126 LEU CB C 13 40.390 0.400 . 1 . . . . . 116 LEU CB . 27570 1 527 . 1 1 126 126 LEU CG C 13 27.090 0.400 . 1 . . . . . 116 LEU CG . 27570 1 528 . 1 1 126 126 LEU CD1 C 13 21.840 0.400 . 2 . . . . . 116 LEU CD1 . 27570 1 529 . 1 1 126 126 LEU N N 15 118.760 0.400 . 1 . . . . . 116 LEU N . 27570 1 530 . 1 1 127 127 TRP C C 13 175.240 0.400 . 1 . . . . . 117 TRP C . 27570 1 531 . 1 1 127 127 TRP CA C 13 64.570 0.400 . 1 . . . . . 117 TRP CA . 27570 1 532 . 1 1 127 127 TRP CB C 13 26.340 0.400 . 1 . . . . . 117 TRP CB . 27570 1 533 . 1 1 127 127 TRP N N 15 115.610 0.400 . 1 . . . . . 117 TRP N . 27570 1 534 . 1 1 128 128 SER C C 13 175.380 0.400 . 1 . . . . . 118 SER C . 27570 1 535 . 1 1 128 128 SER N N 15 115.440 0.400 . 1 . . . . . 118 SER N . 27570 1 stop_ save_