data_28098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28098 _Entry.Title ; Spindly C-terminal region of C.elegans (362-479) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-10 _Entry.Accession_date 2020-03-10 _Entry.Last_release_date 2020-03-10 _Entry.Original_release_date 2020-03-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR characterization of the Cargo binding part of Spindly adaptor protein' _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 Morkos Henen . A. . . 28098 2 Beat Vogeli . R. . . 28098 3 Kyle Myers . . . . 28098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 172 28098 '15N chemical shifts' 88 28098 '1H chemical shifts' 87 28098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-04-09 . original BMRB . 28098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28098 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Spindly: A dynein adaptor with a significant role in mitotic division ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Morkos Henen . A. . . 28098 1 2 Beat Vogeli . R. . . 28098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28098 _Assembly.ID 1 _Assembly.Name 'Spindly C-terminal' _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 'Spindly C-terminal, Disordered part' 1 $Spindly_Cterm A . yes native no no . . . 28098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spindly_Cterm _Entity.Sf_category entity _Entity.Sf_framecode Spindly_Cterm _Entity.Entry_ID 28098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spindly_Cterm _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 ; GPLGSPVVNKDFEHPLLAAP LKTLNNGRPSFFIKPKNVEP MPQLGHSLSSIAVTPQKPAA KFTTRSSIKDDTSEWAERRM KAQAEKKLATPTPRYNYIKL SEPVPKFKPAVLQMPSTSET KEN ; _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 123 _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 . GLY . 28098 1 2 . PRO . 28098 1 3 . LEU . 28098 1 4 . GLY . 28098 1 5 . SER . 28098 1 6 . PRO . 28098 1 7 . VAL . 28098 1 8 . VAL . 28098 1 9 . ASN . 28098 1 10 . LYS . 28098 1 11 . ASP . 28098 1 12 . PHE . 28098 1 13 . GLU . 28098 1 14 . HIS . 28098 1 15 . PRO . 28098 1 16 . LEU . 28098 1 17 . LEU . 28098 1 18 . ALA . 28098 1 19 . ALA . 28098 1 20 . PRO . 28098 1 21 . LEU . 28098 1 22 . LYS . 28098 1 23 . THR . 28098 1 24 . LEU . 28098 1 25 . ASN . 28098 1 26 . ASN . 28098 1 27 . GLY . 28098 1 28 . ARG . 28098 1 29 . PRO . 28098 1 30 . SER . 28098 1 31 . PHE . 28098 1 32 . PHE . 28098 1 33 . ILE . 28098 1 34 . LYS . 28098 1 35 . PRO . 28098 1 36 . LYS . 28098 1 37 . ASN . 28098 1 38 . VAL . 28098 1 39 . GLU . 28098 1 40 . PRO . 28098 1 41 . MET . 28098 1 42 . PRO . 28098 1 43 . GLN . 28098 1 44 . LEU . 28098 1 45 . GLY . 28098 1 46 . HIS . 28098 1 47 . SER . 28098 1 48 . LEU . 28098 1 49 . SER . 28098 1 50 . SER . 28098 1 51 . ILE . 28098 1 52 . ALA . 28098 1 53 . VAL . 28098 1 54 . THR . 28098 1 55 . PRO . 28098 1 56 . GLN . 28098 1 57 . LYS . 28098 1 58 . PRO . 28098 1 59 . ALA . 28098 1 60 . ALA . 28098 1 61 . LYS . 28098 1 62 . PHE . 28098 1 63 . THR . 28098 1 64 . THR . 28098 1 65 . ARG . 28098 1 66 . SER . 28098 1 67 . SER . 28098 1 68 . ILE . 28098 1 69 . LYS . 28098 1 70 . ASP . 28098 1 71 . ASP . 28098 1 72 . THR . 28098 1 73 . SER . 28098 1 74 . GLU . 28098 1 75 . TRP . 28098 1 76 . ALA . 28098 1 77 . GLU . 28098 1 78 . ARG . 28098 1 79 . ARG . 28098 1 80 . MET . 28098 1 81 . LYS . 28098 1 82 . ALA . 28098 1 83 . GLN . 28098 1 84 . ALA . 28098 1 85 . GLU . 28098 1 86 . LYS . 28098 1 87 . LYS . 28098 1 88 . LEU . 28098 1 89 . ALA . 28098 1 90 . THR . 28098 1 91 . PRO . 28098 1 92 . THR . 28098 1 93 . PRO . 28098 1 94 . ARG . 28098 1 95 . TYR . 28098 1 96 . ASN . 28098 1 97 . TYR . 28098 1 98 . ILE . 28098 1 99 . LYS . 28098 1 100 . LEU . 28098 1 101 . SER . 28098 1 102 . GLU . 28098 1 103 . PRO . 28098 1 104 . VAL . 28098 1 105 . PRO . 28098 1 106 . LYS . 28098 1 107 . PHE . 28098 1 108 . LYS . 28098 1 109 . PRO . 28098 1 110 . ALA . 28098 1 111 . VAL . 28098 1 112 . LEU . 28098 1 113 . GLN . 28098 1 114 . MET . 28098 1 115 . PRO . 28098 1 116 . SER . 28098 1 117 . THR . 28098 1 118 . SER . 28098 1 119 . GLU . 28098 1 120 . THR . 28098 1 121 . LYS . 28098 1 122 . GLU . 28098 1 123 . ASN . 28098 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 . GLY 1 1 28098 1 . PRO 2 2 28098 1 . LEU 3 3 28098 1 . GLY 4 4 28098 1 . SER 5 5 28098 1 . PRO 6 6 28098 1 . VAL 7 7 28098 1 . VAL 8 8 28098 1 . ASN 9 9 28098 1 . LYS 10 10 28098 1 . ASP 11 11 28098 1 . PHE 12 12 28098 1 . GLU 13 13 28098 1 . HIS 14 14 28098 1 . PRO 15 15 28098 1 . LEU 16 16 28098 1 . LEU 17 17 28098 1 . ALA 18 18 28098 1 . ALA 19 19 28098 1 . PRO 20 20 28098 1 . LEU 21 21 28098 1 . LYS 22 22 28098 1 . THR 23 23 28098 1 . LEU 24 24 28098 1 . ASN 25 25 28098 1 . ASN 26 26 28098 1 . GLY 27 27 28098 1 . ARG 28 28 28098 1 . PRO 29 29 28098 1 . SER 30 30 28098 1 . PHE 31 31 28098 1 . PHE 32 32 28098 1 . ILE 33 33 28098 1 . LYS 34 34 28098 1 . PRO 35 35 28098 1 . LYS 36 36 28098 1 . ASN 37 37 28098 1 . VAL 38 38 28098 1 . GLU 39 39 28098 1 . PRO 40 40 28098 1 . MET 41 41 28098 1 . PRO 42 42 28098 1 . GLN 43 43 28098 1 . LEU 44 44 28098 1 . GLY 45 45 28098 1 . HIS 46 46 28098 1 . SER 47 47 28098 1 . LEU 48 48 28098 1 . SER 49 49 28098 1 . SER 50 50 28098 1 . ILE 51 51 28098 1 . ALA 52 52 28098 1 . VAL 53 53 28098 1 . THR 54 54 28098 1 . PRO 55 55 28098 1 . GLN 56 56 28098 1 . LYS 57 57 28098 1 . PRO 58 58 28098 1 . ALA 59 59 28098 1 . ALA 60 60 28098 1 . LYS 61 61 28098 1 . PHE 62 62 28098 1 . THR 63 63 28098 1 . THR 64 64 28098 1 . ARG 65 65 28098 1 . SER 66 66 28098 1 . SER 67 67 28098 1 . ILE 68 68 28098 1 . LYS 69 69 28098 1 . ASP 70 70 28098 1 . ASP 71 71 28098 1 . THR 72 72 28098 1 . SER 73 73 28098 1 . GLU 74 74 28098 1 . TRP 75 75 28098 1 . ALA 76 76 28098 1 . GLU 77 77 28098 1 . ARG 78 78 28098 1 . ARG 79 79 28098 1 . MET 80 80 28098 1 . LYS 81 81 28098 1 . ALA 82 82 28098 1 . GLN 83 83 28098 1 . ALA 84 84 28098 1 . GLU 85 85 28098 1 . LYS 86 86 28098 1 . LYS 87 87 28098 1 . LEU 88 88 28098 1 . ALA 89 89 28098 1 . THR 90 90 28098 1 . PRO 91 91 28098 1 . THR 92 92 28098 1 . PRO 93 93 28098 1 . ARG 94 94 28098 1 . TYR 95 95 28098 1 . ASN 96 96 28098 1 . TYR 97 97 28098 1 . ILE 98 98 28098 1 . LYS 99 99 28098 1 . LEU 100 100 28098 1 . SER 101 101 28098 1 . GLU 102 102 28098 1 . PRO 103 103 28098 1 . VAL 104 104 28098 1 . PRO 105 105 28098 1 . LYS 106 106 28098 1 . PHE 107 107 28098 1 . LYS 108 108 28098 1 . PRO 109 109 28098 1 . ALA 110 110 28098 1 . VAL 111 111 28098 1 . LEU 112 112 28098 1 . GLN 113 113 28098 1 . MET 114 114 28098 1 . PRO 115 115 28098 1 . SER 116 116 28098 1 . THR 117 117 28098 1 . SER 118 118 28098 1 . GLU 119 119 28098 1 . THR 120 120 28098 1 . LYS 121 121 28098 1 . GLU 122 122 28098 1 . ASN 123 123 28098 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 28098 _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 $Spindly_Cterm . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 28098 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 28098 _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 $Spindly_Cterm . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-6P . . . 28098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28098 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '140uM 15N, 13C sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Spindly Cterm 362-479' '[U-100% 13C; U-100% 15N]' . . 1 $Spindly_Cterm . . 140 . . uM . . . . 28098 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 28098 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 28098 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 28098 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 28098 1 pH 6.5 . pH 28098 1 pressure 1 . atm 28098 1 temperature 298 . K 28098 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 28098 _Software.ID 1 _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 . . 28098 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28098 1 . 'data analysis' 28098 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28098 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28098 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 28098 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28098 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28098 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 28098 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 28098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28098 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 28098 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian INOVA . 600 . . . 28098 1 2 spectrometer_2 Varian INOVA . 900 . . . 28098 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 28098 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28098 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28098 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28098 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28098 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28098 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 28098 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 na 'methyl carbon' . . . . ppm 0 na direct 1 . . . . . 28098 1 H 1 water protons . . . . ppm 4.62 internal direct 1 . . . . . 28098 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 28098 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 28098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28098 1 2 '3D CBCA(CO)NH' . . . 28098 1 3 '3D HNCO' . . . 28098 1 4 '3D HNCACB' . . . 28098 1 5 '3D HCACO' . . . 28098 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY CA C 13 45.109 0.000 . 1 . . . . . 1 G CA . 28098 1 2 . 1 . 1 1 1 GLY N N 15 109.791 0.178 . 1 . . . . . 1 G N . 28098 1 3 . 1 . 1 3 3 LEU H H 1 8.485 0.000 . 1 . . . . . 3 L HN . 28098 1 4 . 1 . 1 3 3 LEU CA C 13 55.272 0.000 . 1 . . . . . 3 L CA . 28098 1 5 . 1 . 1 3 3 LEU CB C 13 42.312 0.000 . 1 . . . . . 3 L CB . 28098 1 6 . 1 . 1 3 3 LEU N N 15 122.234 0.000 . 1 . . . . . 3 L N . 28098 1 7 . 1 . 1 4 4 GLY H H 1 8.374 0.019 . 1 . . . . . 4 G HN . 28098 1 8 . 1 . 1 4 4 GLY CA C 13 45.077 0.000 . 1 . . . . . 4 G CA . 28098 1 9 . 1 . 1 4 4 GLY N N 15 109.793 0.175 . 1 . . . . . 4 G N . 28098 1 10 . 1 . 1 5 5 SER H H 1 8.116 0.017 . 1 . . . . . 5 S HN . 28098 1 11 . 1 . 1 5 5 SER CA C 13 56.415 0.000 . 1 . . . . . 5 S CA . 28098 1 12 . 1 . 1 5 5 SER CB C 13 63.301 0.000 . 1 . . . . . 5 S CB . 28098 1 13 . 1 . 1 5 5 SER N N 15 117.017 0.109 . 1 . . . . . 5 S N . 28098 1 14 . 1 . 1 7 7 VAL H H 1 8.199 0.025 . 1 . . . . . 7 V HN . 28098 1 15 . 1 . 1 7 7 VAL CA C 13 62.274 0.000 . 1 . . . . . 7 V CA . 28098 1 16 . 1 . 1 7 7 VAL CB C 13 32.682 0.000 . 1 . . . . . 7 V CB . 28098 1 17 . 1 . 1 7 7 VAL N N 15 121.206 0.186 . 1 . . . . . 7 V N . 28098 1 18 . 1 . 1 8 8 VAL H H 1 8.197 0.010 . 1 . . . . . 8 V HN . 28098 1 19 . 1 . 1 8 8 VAL CA C 13 61.869 0.000 . 1 . . . . . 8 V CA . 28098 1 20 . 1 . 1 8 8 VAL CB C 13 32.985 0.000 . 1 . . . . . 8 V CB . 28098 1 21 . 1 . 1 8 8 VAL N N 15 124.574 0.033 . 1 . . . . . 8 V N . 28098 1 22 . 1 . 1 9 9 ASN H H 1 8.479 0.009 . 1 . . . . . 9 N HN . 28098 1 23 . 1 . 1 9 9 ASN CA C 13 53.049 0.000 . 1 . . . . . 9 N CA . 28098 1 24 . 1 . 1 9 9 ASN CB C 13 39.065 0.000 . 1 . . . . . 9 N CB . 28098 1 25 . 1 . 1 9 9 ASN N N 15 123.170 0.158 . 1 . . . . . 9 N N . 28098 1 26 . 1 . 1 10 10 LYS H H 1 8.339 0.016 . 1 . . . . . 10 K HN . 28098 1 27 . 1 . 1 10 10 LYS CA C 13 56.510 0.000 . 1 . . . . . 10 K CA . 28098 1 28 . 1 . 1 10 10 LYS CB C 13 32.830 0.000 . 1 . . . . . 10 K CB . 28098 1 29 . 1 . 1 10 10 LYS N N 15 122.656 0.120 . 1 . . . . . 10 K N . 28098 1 30 . 1 . 1 11 11 ASP H H 1 8.235 0.032 . 1 . . . . . 11 D HN . 28098 1 31 . 1 . 1 11 11 ASP CA C 13 54.619 0.000 . 1 . . . . . 11 D CA . 28098 1 32 . 1 . 1 11 11 ASP CB C 13 40.911 0.000 . 1 . . . . . 11 D CB . 28098 1 33 . 1 . 1 11 11 ASP N N 15 120.855 0.228 . 1 . . . . . 11 D N . 28098 1 34 . 1 . 1 12 12 PHE H H 1 7.959 0.017 . 1 . . . . . 12 F HN . 28098 1 35 . 1 . 1 12 12 PHE CA C 13 57.688 0.000 . 1 . . . . . 12 F CA . 28098 1 36 . 1 . 1 12 12 PHE CB C 13 39.441 0.000 . 1 . . . . . 12 F CB . 28098 1 37 . 1 . 1 12 12 PHE N N 15 119.457 0.288 . 1 . . . . . 12 F N . 28098 1 38 . 1 . 1 13 13 GLU H H 1 8.068 0.000 . 1 . . . . . 13 E HN . 28098 1 39 . 1 . 1 13 13 GLU CA C 13 56.365 0.000 . 1 . . . . . 13 E CA . 28098 1 40 . 1 . 1 13 13 GLU CB C 13 30.560 0.000 . 1 . . . . . 13 E CB . 28098 1 41 . 1 . 1 13 13 GLU N N 15 121.512 0.000 . 1 . . . . . 13 E N . 28098 1 42 . 1 . 1 16 16 LEU H H 1 8.493 0.021 . 1 . . . . . 16 L HN . 28098 1 43 . 1 . 1 16 16 LEU CA C 13 55.244 0.000 . 1 . . . . . 16 L CA . 28098 1 44 . 1 . 1 16 16 LEU CB C 13 42.100 0.000 . 1 . . . . . 16 L CB . 28098 1 45 . 1 . 1 16 16 LEU N N 15 122.337 0.204 . 1 . . . . . 16 L N . 28098 1 46 . 1 . 1 17 17 LEU H H 1 8.085 0.007 . 1 . . . . . 17 L HN . 28098 1 47 . 1 . 1 17 17 LEU CA C 13 54.896 0.000 . 1 . . . . . 17 L CA . 28098 1 48 . 1 . 1 17 17 LEU CB C 13 42.398 0.000 . 1 . . . . . 17 L CB . 28098 1 49 . 1 . 1 17 17 LEU N N 15 122.570 0.126 . 1 . . . . . 17 L N . 28098 1 50 . 1 . 1 18 18 ALA H H 1 8.220 0.029 . 1 . . . . . 18 A HN . 28098 1 51 . 1 . 1 18 18 ALA CA C 13 52.288 0.000 . 1 . . . . . 18 A CA . 28098 1 52 . 1 . 1 18 18 ALA CB C 13 19.364 0.000 . 1 . . . . . 18 A CB . 28098 1 53 . 1 . 1 18 18 ALA N N 15 124.606 0.199 . 1 . . . . . 18 A N . 28098 1 54 . 1 . 1 21 21 LEU H H 1 8.261 0.011 . 1 . . . . . 21 L HN . 28098 1 55 . 1 . 1 21 21 LEU CA C 13 55.247 0.000 . 1 . . . . . 21 L CA . 28098 1 56 . 1 . 1 21 21 LEU CB C 13 42.358 0.000 . 1 . . . . . 21 L CB . 28098 1 57 . 1 . 1 21 21 LEU N N 15 122.323 0.105 . 1 . . . . . 21 L N . 28098 1 58 . 1 . 1 22 22 LYS H H 1 8.285 0.026 . 1 . . . . . 22 K HN . 28098 1 59 . 1 . 1 22 22 LYS CA C 13 56.293 0.000 . 1 . . . . . 22 K CA . 28098 1 60 . 1 . 1 22 22 LYS CB C 13 33.098 0.000 . 1 . . . . . 22 K CB . 28098 1 61 . 1 . 1 22 22 LYS N N 15 122.283 0.135 . 1 . . . . . 22 K N . 28098 1 62 . 1 . 1 23 23 THR H H 1 8.041 0.002 . 1 . . . . . 23 T HN . 28098 1 63 . 1 . 1 23 23 THR CA C 13 61.608 0.000 . 1 . . . . . 23 T CA . 28098 1 64 . 1 . 1 23 23 THR CB C 13 69.762 0.000 . 1 . . . . . 23 T CB . 28098 1 65 . 1 . 1 23 23 THR N N 15 115.148 0.025 . 1 . . . . . 23 T N . 28098 1 66 . 1 . 1 24 24 LEU H H 1 8.214 0.014 . 1 . . . . . 24 L HN . 28098 1 67 . 1 . 1 24 24 LEU CA C 13 55.192 0.000 . 1 . . . . . 24 L CA . 28098 1 68 . 1 . 1 24 24 LEU CB C 13 42.390 0.000 . 1 . . . . . 24 L CB . 28098 1 69 . 1 . 1 24 24 LEU N N 15 123.839 0.133 . 1 . . . . . 24 L N . 28098 1 70 . 1 . 1 25 25 ASN H H 1 8.493 0.000 . 1 . . . . . 25 N HN . 28098 1 71 . 1 . 1 25 25 ASN CA C 13 53.297 0.000 . 1 . . . . . 25 N CA . 28098 1 72 . 1 . 1 25 25 ASN CB C 13 38.835 0.000 . 1 . . . . . 25 N CB . 28098 1 73 . 1 . 1 25 25 ASN N N 15 119.587 0.000 . 1 . . . . . 25 N N . 28098 1 74 . 1 . 1 26 26 ASN H H 1 8.403 0.000 . 1 . . . . . 26 N HN . 28098 1 75 . 1 . 1 26 26 ASN CA C 13 53.346 0.000 . 1 . . . . . 26 N CA . 28098 1 76 . 1 . 1 26 26 ASN CB C 13 38.629 0.000 . 1 . . . . . 26 N CB . 28098 1 77 . 1 . 1 26 26 ASN N N 15 119.132 0.000 . 1 . . . . . 26 N N . 28098 1 78 . 1 . 1 27 27 GLY H H 1 8.312 0.002 . 1 . . . . . 27 G HN . 28098 1 79 . 1 . 1 27 27 GLY CA C 13 45.360 0.000 . 1 . . . . . 27 G CA . 28098 1 80 . 1 . 1 27 27 GLY N N 15 108.375 0.023 . 1 . . . . . 27 G N . 28098 1 81 . 1 . 1 28 28 ARG H H 1 7.971 0.016 . 1 . . . . . 28 R HN . 28098 1 82 . 1 . 1 28 28 ARG CA C 13 53.862 0.000 . 1 . . . . . 28 R CA . 28098 1 83 . 1 . 1 28 28 ARG CB C 13 30.325 0.000 . 1 . . . . . 28 R CB . 28098 1 84 . 1 . 1 28 28 ARG N N 15 121.542 0.237 . 1 . . . . . 28 R N . 28098 1 85 . 1 . 1 30 30 SER H H 1 8.257 0.022 . 1 . . . . . 30 S HN . 28098 1 86 . 1 . 1 30 30 SER CA C 13 58.224 0.000 . 1 . . . . . 30 S CA . 28098 1 87 . 1 . 1 30 30 SER CB C 13 63.980 0.000 . 1 . . . . . 30 S CB . 28098 1 88 . 1 . 1 30 30 SER N N 15 116.560 0.127 . 1 . . . . . 30 S N . 28098 1 89 . 1 . 1 31 31 PHE H H 1 7.971 0.016 . 1 . . . . . 31 F HN . 28098 1 90 . 1 . 1 31 31 PHE CA C 13 57.418 0.000 . 1 . . . . . 31 F CA . 28098 1 91 . 1 . 1 31 31 PHE CB C 13 39.820 0.000 . 1 . . . . . 31 F CB . 28098 1 92 . 1 . 1 31 31 PHE N N 15 121.564 0.212 . 1 . . . . . 31 F N . 28098 1 93 . 1 . 1 32 32 PHE H H 1 8.070 0.018 . 1 . . . . . 32 F HN . 28098 1 94 . 1 . 1 32 32 PHE CA C 13 57.622 0.000 . 1 . . . . . 32 F CA . 28098 1 95 . 1 . 1 32 32 PHE CB C 13 39.898 0.000 . 1 . . . . . 32 F CB . 28098 1 96 . 1 . 1 32 32 PHE N N 15 121.703 0.042 . 1 . . . . . 32 F N . 28098 1 97 . 1 . 1 33 33 ILE H H 1 7.926 0.006 . 1 . . . . . 33 I HN . 28098 1 98 . 1 . 1 33 33 ILE CA C 13 60.438 0.000 . 1 . . . . . 33 I CA . 28098 1 99 . 1 . 1 33 33 ILE CB C 13 38.813 0.000 . 1 . . . . . 33 I CB . 28098 1 100 . 1 . 1 33 33 ILE N N 15 124.063 0.027 . 1 . . . . . 33 I N . 28098 1 101 . 1 . 1 34 34 LYS H H 1 8.265 0.006 . 1 . . . . . 34 K HN . 28098 1 102 . 1 . 1 34 34 LYS CA C 13 54.239 0.000 . 1 . . . . . 34 K CA . 28098 1 103 . 1 . 1 34 34 LYS CB C 13 32.533 0.000 . 1 . . . . . 34 K CB . 28098 1 104 . 1 . 1 34 34 LYS N N 15 127.546 0.058 . 1 . . . . . 34 K N . 28098 1 105 . 1 . 1 36 36 LYS H H 1 8.367 0.014 . 1 . . . . . 36 K HN . 28098 1 106 . 1 . 1 36 36 LYS CA C 13 56.313 0.000 . 1 . . . . . 36 K CA . 28098 1 107 . 1 . 1 36 36 LYS CB C 13 33.127 0.000 . 1 . . . . . 36 K CB . 28098 1 108 . 1 . 1 36 36 LYS N N 15 121.670 0.155 . 1 . . . . . 36 K N . 28098 1 109 . 1 . 1 37 37 ASN H H 1 8.422 0.011 . 1 . . . . . 37 N HN . 28098 1 110 . 1 . 1 37 37 ASN CA C 13 53.241 0.000 . 1 . . . . . 37 N CA . 28098 1 111 . 1 . 1 37 37 ASN CB C 13 39.044 0.000 . 1 . . . . . 37 N CB . 28098 1 112 . 1 . 1 37 37 ASN N N 15 119.950 0.069 . 1 . . . . . 37 N N . 28098 1 113 . 1 . 1 38 38 VAL H H 1 8.097 0.021 . 1 . . . . . 38 V HN . 28098 1 114 . 1 . 1 38 38 VAL CA C 13 61.968 0.000 . 1 . . . . . 38 V CA . 28098 1 115 . 1 . 1 38 38 VAL CB C 13 32.791 0.000 . 1 . . . . . 38 V CB . 28098 1 116 . 1 . 1 38 38 VAL N N 15 120.201 0.216 . 1 . . . . . 38 V N . 28098 1 117 . 1 . 1 39 39 GLU H H 1 8.402 0.008 . 1 . . . . . 39 E HN . 28098 1 118 . 1 . 1 39 39 GLU CA C 13 54.188 0.000 . 1 . . . . . 39 E CA . 28098 1 119 . 1 . 1 39 39 GLU CB C 13 29.757 0.000 . 1 . . . . . 39 E CB . 28098 1 120 . 1 . 1 39 39 GLU N N 15 126.403 0.018 . 1 . . . . . 39 E N . 28098 1 121 . 1 . 1 43 43 GLN H H 1 8.511 0.000 . 1 . . . . . 43 Q HN . 28098 1 122 . 1 . 1 43 43 GLN CA C 13 55.596 0.000 . 1 . . . . . 43 Q CA . 28098 1 123 . 1 . 1 43 43 GLN CB C 13 29.350 0.000 . 1 . . . . . 43 Q CB . 28098 1 124 . 1 . 1 43 43 GLN N N 15 120.844 0.000 . 1 . . . . . 43 Q N . 28098 1 125 . 1 . 1 44 44 LEU H H 1 8.261 0.016 . 1 . . . . . 44 L HN . 28098 1 126 . 1 . 1 44 44 LEU CA C 13 55.261 0.000 . 1 . . . . . 44 L CA . 28098 1 127 . 1 . 1 44 44 LEU CB C 13 42.364 0.000 . 1 . . . . . 44 L CB . 28098 1 128 . 1 . 1 44 44 LEU N N 15 123.734 0.045 . 1 . . . . . 44 L N . 28098 1 129 . 1 . 1 45 45 GLY H H 1 8.397 0.004 . 1 . . . . . 45 G HN . 28098 1 130 . 1 . 1 45 45 GLY CA C 13 45.373 0.000 . 1 . . . . . 45 G CA . 28098 1 131 . 1 . 1 45 45 GLY N N 15 109.560 0.025 . 1 . . . . . 45 G N . 28098 1 132 . 1 . 1 48 48 LEU H H 1 8.406 0.006 . 1 . . . . . 48 L HN . 28098 1 133 . 1 . 1 48 48 LEU CA C 13 55.369 0.000 . 1 . . . . . 48 L CA . 28098 1 134 . 1 . 1 48 48 LEU CB C 13 42.218 0.000 . 1 . . . . . 48 L CB . 28098 1 135 . 1 . 1 48 48 LEU N N 15 124.313 0.034 . 1 . . . . . 48 L N . 28098 1 136 . 1 . 1 49 49 SER H H 1 8.240 0.003 . 1 . . . . . 49 S HN . 28098 1 137 . 1 . 1 49 49 SER CA C 13 58.473 0.000 . 1 . . . . . 49 S CA . 28098 1 138 . 1 . 1 49 49 SER CB C 13 63.691 0.000 . 1 . . . . . 49 S CB . 28098 1 139 . 1 . 1 49 49 SER N N 15 115.949 0.083 . 1 . . . . . 49 S N . 28098 1 140 . 1 . 1 50 50 SER H H 1 8.269 0.029 . 1 . . . . . 50 S HN . 28098 1 141 . 1 . 1 50 50 SER CA C 13 58.359 0.000 . 1 . . . . . 50 S CA . 28098 1 142 . 1 . 1 50 50 SER CB C 13 63.706 0.000 . 1 . . . . . 50 S CB . 28098 1 143 . 1 . 1 50 50 SER N N 15 117.793 0.041 . 1 . . . . . 50 S N . 28098 1 144 . 1 . 1 51 51 ILE H H 1 7.962 0.000 . 1 . . . . . 51 I HN . 28098 1 145 . 1 . 1 51 51 ILE CA C 13 61.044 0.000 . 1 . . . . . 51 I CA . 28098 1 146 . 1 . 1 51 51 ILE CB C 13 38.752 0.000 . 1 . . . . . 51 I CB . 28098 1 147 . 1 . 1 51 51 ILE N N 15 121.811 0.021 . 1 . . . . . 51 I N . 28098 1 148 . 1 . 1 52 52 ALA H H 1 8.233 0.005 . 1 . . . . . 52 A HN . 28098 1 149 . 1 . 1 52 52 ALA CA C 13 52.309 0.000 . 1 . . . . . 52 A CA . 28098 1 150 . 1 . 1 52 52 ALA CB C 13 19.317 0.000 . 1 . . . . . 52 A CB . 28098 1 151 . 1 . 1 52 52 ALA N N 15 128.126 0.006 . 1 . . . . . 52 A N . 28098 1 152 . 1 . 1 53 53 VAL H H 1 8.043 0.006 . 1 . . . . . 53 V HN . 28098 1 153 . 1 . 1 53 53 VAL CA C 13 62.070 0.000 . 1 . . . . . 53 V CA . 28098 1 154 . 1 . 1 53 53 VAL CB C 13 32.849 0.000 . 1 . . . . . 53 V CB . 28098 1 155 . 1 . 1 53 53 VAL N N 15 119.501 0.040 . 1 . . . . . 53 V N . 28098 1 156 . 1 . 1 54 54 THR H H 1 7.952 0.000 . 1 . . . . . 54 T HN . 28098 1 157 . 1 . 1 54 54 THR CA C 13 58.520 0.000 . 1 . . . . . 54 T CA . 28098 1 158 . 1 . 1 54 54 THR CB C 13 70.538 0.000 . 1 . . . . . 54 T CB . 28098 1 159 . 1 . 1 54 54 THR N N 15 118.023 0.044 . 1 . . . . . 54 T N . 28098 1 160 . 1 . 1 56 56 GLN H H 1 8.429 0.001 . 1 . . . . . 56 Q HN . 28098 1 161 . 1 . 1 56 56 GLN CA C 13 55.585 0.000 . 1 . . . . . 56 Q CA . 28098 1 162 . 1 . 1 56 56 GLN CB C 13 29.764 0.000 . 1 . . . . . 56 Q CB . 28098 1 163 . 1 . 1 56 56 GLN N N 15 120.910 0.012 . 1 . . . . . 56 Q N . 28098 1 164 . 1 . 1 57 57 LYS H H 1 8.370 0.003 . 1 . . . . . 57 K HN . 28098 1 165 . 1 . 1 57 57 LYS CA C 13 54.158 0.000 . 1 . . . . . 57 K CA . 28098 1 166 . 1 . 1 57 57 LYS CB C 13 32.515 0.000 . 1 . . . . . 57 K CB . 28098 1 167 . 1 . 1 57 57 LYS N N 15 124.254 0.069 . 1 . . . . . 57 K N . 28098 1 168 . 1 . 1 61 61 LYS H H 1 8.180 0.001 . 1 . . . . . 61 K HN . 28098 1 169 . 1 . 1 61 61 LYS CA C 13 56.233 0.000 . 1 . . . . . 61 K CA . 28098 1 170 . 1 . 1 61 61 LYS CB C 13 33.139 0.000 . 1 . . . . . 61 K CB . 28098 1 171 . 1 . 1 61 61 LYS N N 15 120.366 0.000 . 1 . . . . . 61 K N . 28098 1 172 . 1 . 1 62 62 PHE H H 1 8.188 0.023 . 1 . . . . . 62 F HN . 28098 1 173 . 1 . 1 62 62 PHE CA C 13 57.463 0.000 . 1 . . . . . 62 F CA . 28098 1 174 . 1 . 1 62 62 PHE CB C 13 39.677 0.000 . 1 . . . . . 62 F CB . 28098 1 175 . 1 . 1 62 62 PHE N N 15 121.151 0.249 . 1 . . . . . 62 F N . 28098 1 176 . 1 . 1 63 63 THR H H 1 8.093 0.020 . 1 . . . . . 63 T HN . 28098 1 177 . 1 . 1 63 63 THR CA C 13 61.519 0.000 . 1 . . . . . 63 T CA . 28098 1 178 . 1 . 1 63 63 THR CB C 13 69.904 0.000 . 1 . . . . . 63 T CB . 28098 1 179 . 1 . 1 63 63 THR N N 15 116.185 0.048 . 1 . . . . . 63 T N . 28098 1 180 . 1 . 1 64 64 THR H H 1 8.166 0.001 . 1 . . . . . 64 T HN . 28098 1 181 . 1 . 1 64 64 THR CA C 13 61.751 0.000 . 1 . . . . . 64 T CA . 28098 1 182 . 1 . 1 64 64 THR CB C 13 69.751 0.000 . 1 . . . . . 64 T CB . 28098 1 183 . 1 . 1 64 64 THR N N 15 116.762 0.000 . 1 . . . . . 64 T N . 28098 1 184 . 1 . 1 67 67 SER H H 1 8.362 0.000 . 1 . . . . . 67 S HN . 28098 1 185 . 1 . 1 67 67 SER CA C 13 58.244 0.000 . 1 . . . . . 67 S CA . 28098 1 186 . 1 . 1 67 67 SER CB C 13 63.741 0.000 . 1 . . . . . 67 S CB . 28098 1 187 . 1 . 1 67 67 SER N N 15 117.982 0.000 . 1 . . . . . 67 S N . 28098 1 188 . 1 . 1 68 68 ILE H H 1 8.083 0.004 . 1 . . . . . 68 I HN . 28098 1 189 . 1 . 1 68 68 ILE CA C 13 61.322 0.000 . 1 . . . . . 68 I CA . 28098 1 190 . 1 . 1 68 68 ILE CB C 13 38.706 0.000 . 1 . . . . . 68 I CB . 28098 1 191 . 1 . 1 68 68 ILE N N 15 122.494 0.022 . 1 . . . . . 68 I N . 28098 1 192 . 1 . 1 69 69 LYS H H 1 8.287 0.001 . 1 . . . . . 69 K HN . 28098 1 193 . 1 . 1 69 69 LYS CA C 13 56.283 0.000 . 1 . . . . . 69 K CA . 28098 1 194 . 1 . 1 69 69 LYS CB C 13 33.075 0.000 . 1 . . . . . 69 K CB . 28098 1 195 . 1 . 1 69 69 LYS N N 15 125.223 0.065 . 1 . . . . . 69 K N . 28098 1 196 . 1 . 1 71 71 ASP H H 1 8.324 0.006 . 1 . . . . . 71 D HN . 28098 1 197 . 1 . 1 71 71 ASP CA C 13 54.477 0.000 . 1 . . . . . 71 D CA . 28098 1 198 . 1 . 1 71 71 ASP CB C 13 41.092 0.000 . 1 . . . . . 71 D CB . 28098 1 199 . 1 . 1 71 71 ASP N N 15 121.452 0.056 . 1 . . . . . 71 D N . 28098 1 200 . 1 . 1 72 72 THR H H 1 8.189 0.004 . 1 . . . . . 72 T HN . 28098 1 201 . 1 . 1 72 72 THR CA C 13 62.633 0.000 . 1 . . . . . 72 T CA . 28098 1 202 . 1 . 1 72 72 THR CB C 13 69.465 0.000 . 1 . . . . . 72 T CB . 28098 1 203 . 1 . 1 72 72 THR N N 15 114.008 0.015 . 1 . . . . . 72 T N . 28098 1 204 . 1 . 1 73 73 SER H H 1 8.358 0.007 . 1 . . . . . 73 S HN . 28098 1 205 . 1 . 1 73 73 SER CA C 13 63.454 0.000 . 1 . . . . . 73 S CA . 28098 1 206 . 1 . 1 73 73 SER CB C 13 59.870 0.000 . 1 . . . . . 73 S CB . 28098 1 207 . 1 . 1 73 73 SER N N 15 118.407 0.044 . 1 . . . . . 73 S N . 28098 1 208 . 1 . 1 74 74 GLU H H 1 8.432 0.025 . 1 . . . . . 74 E HN . 28098 1 209 . 1 . 1 74 74 GLU CA C 13 57.990 0.000 . 1 . . . . . 74 E CA . 28098 1 210 . 1 . 1 74 74 GLU CB C 13 29.544 0.000 . 1 . . . . . 74 E CB . 28098 1 211 . 1 . 1 74 74 GLU N N 15 122.563 0.015 . 1 . . . . . 74 E N . 28098 1 212 . 1 . 1 75 75 TRP H H 1 8.008 0.002 . 1 . . . . . 75 W HN . 28098 1 213 . 1 . 1 75 75 TRP CA C 13 58.658 0.000 . 1 . . . . . 75 W CA . 28098 1 214 . 1 . 1 75 75 TRP CB C 13 29.242 0.000 . 1 . . . . . 75 W CB . 28098 1 215 . 1 . 1 75 75 TRP N N 15 120.579 0.082 . 1 . . . . . 75 W N . 28098 1 216 . 1 . 1 76 76 ALA H H 1 8.019 0.022 . 1 . . . . . 76 A HN . 28098 1 217 . 1 . 1 76 76 ALA CA C 13 54.357 0.000 . 1 . . . . . 76 A CA . 28098 1 218 . 1 . 1 76 76 ALA CB C 13 18.578 0.000 . 1 . . . . . 76 A CB . 28098 1 219 . 1 . 1 76 76 ALA N N 15 123.462 0.129 . 1 . . . . . 76 A N . 28098 1 220 . 1 . 1 77 77 GLU H H 1 8.127 0.012 . 1 . . . . . 77 E HN . 28098 1 221 . 1 . 1 77 77 GLU CA C 13 58.215 0.000 . 1 . . . . . 77 E CA . 28098 1 222 . 1 . 1 77 77 GLU CB C 13 29.670 0.000 . 1 . . . . . 77 E CB . 28098 1 223 . 1 . 1 77 77 GLU N N 15 118.817 0.037 . 1 . . . . . 77 E N . 28098 1 224 . 1 . 1 80 80 MET H H 1 8.145 0.025 . 1 . . . . . 80 M HN . 28098 1 225 . 1 . 1 80 80 MET CA C 13 56.687 0.000 . 1 . . . . . 80 M CA . 28098 1 226 . 1 . 1 80 80 MET CB C 13 32.778 0.000 . 1 . . . . . 80 M CB . 28098 1 227 . 1 . 1 80 80 MET N N 15 121.930 0.034 . 1 . . . . . 80 M N . 28098 1 228 . 1 . 1 81 81 LYS H H 1 8.107 0.002 . 1 . . . . . 81 K HN . 28098 1 229 . 1 . 1 81 81 LYS CA C 13 57.440 0.000 . 1 . . . . . 81 K CA . 28098 1 230 . 1 . 1 81 81 LYS CB C 13 32.775 0.000 . 1 . . . . . 81 K CB . 28098 1 231 . 1 . 1 81 81 LYS N N 15 121.093 0.091 . 1 . . . . . 81 K N . 28098 1 232 . 1 . 1 82 82 ALA H H 1 8.089 0.024 . 1 . . . . . 82 A HN . 28098 1 233 . 1 . 1 82 82 ALA CA C 13 53.318 0.000 . 1 . . . . . 82 A CA . 28098 1 234 . 1 . 1 82 82 ALA CB C 13 18.840 0.000 . 1 . . . . . 82 A CB . 28098 1 235 . 1 . 1 82 82 ALA N N 15 123.412 0.182 . 1 . . . . . 82 A N . 28098 1 236 . 1 . 1 83 83 GLN H H 1 8.120 0.009 . 1 . . . . . 83 Q HN . 28098 1 237 . 1 . 1 83 83 GLN CA C 13 56.558 0.000 . 1 . . . . . 83 Q CA . 28098 1 238 . 1 . 1 83 83 GLN CB C 13 29.255 0.000 . 1 . . . . . 83 Q CB . 28098 1 239 . 1 . 1 83 83 GLN N N 15 118.767 0.101 . 1 . . . . . 83 Q N . 28098 1 240 . 1 . 1 84 84 ALA H H 1 8.110 0.012 . 1 . . . . . 84 A HN . 28098 1 241 . 1 . 1 84 84 ALA CA C 13 53.067 0.000 . 1 . . . . . 84 A CA . 28098 1 242 . 1 . 1 84 84 ALA CB C 13 19.078 0.000 . 1 . . . . . 84 A CB . 28098 1 243 . 1 . 1 84 84 ALA N N 15 124.365 0.273 . 1 . . . . . 84 A N . 28098 1 244 . 1 . 1 85 85 GLU H H 1 8.181 0.000 . 1 . . . . . 85 E HN . 28098 1 245 . 1 . 1 85 85 GLU CA C 13 56.886 0.000 . 1 . . . . . 85 E CA . 28098 1 246 . 1 . 1 85 85 GLU CB C 13 30.145 0.000 . 1 . . . . . 85 E CB . 28098 1 247 . 1 . 1 85 85 GLU N N 15 119.469 0.027 . 1 . . . . . 85 E N . 28098 1 248 . 1 . 1 86 86 LYS H H 1 8.122 0.001 . 1 . . . . . 86 K HN . 28098 1 249 . 1 . 1 86 86 LYS CA C 13 56.606 0.000 . 1 . . . . . 86 K CA . 28098 1 250 . 1 . 1 86 86 LYS CB C 13 32.806 0.000 . 1 . . . . . 86 K CB . 28098 1 251 . 1 . 1 86 86 LYS N N 15 122.043 0.004 . 1 . . . . . 86 K N . 28098 1 252 . 1 . 1 89 89 ALA H H 1 8.107 0.010 . 1 . . . . . 89 A HN . 28098 1 253 . 1 . 1 89 89 ALA CA C 13 52.062 0.000 . 1 . . . . . 89 A CA . 28098 1 254 . 1 . 1 89 89 ALA CB C 13 19.396 0.000 . 1 . . . . . 89 A CB . 28098 1 255 . 1 . 1 89 89 ALA N N 15 124.856 0.118 . 1 . . . . . 89 A N . 28098 1 256 . 1 . 1 90 90 THR H H 1 8.090 0.018 . 1 . . . . . 90 T HN . 28098 1 257 . 1 . 1 90 90 THR CA C 13 59.607 0.000 . 1 . . . . . 90 T CA . 28098 1 258 . 1 . 1 90 90 THR CB C 13 69.716 0.000 . 1 . . . . . 90 T CB . 28098 1 259 . 1 . 1 90 90 THR N N 15 116.184 0.045 . 1 . . . . . 90 T N . 28098 1 260 . 1 . 1 95 95 TYR H H 1 8.049 0.028 . 1 . . . . . 95 Y HN . 28098 1 261 . 1 . 1 95 95 TYR CA C 13 57.461 0.000 . 1 . . . . . 95 Y CA . 28098 1 262 . 1 . 1 95 95 TYR CB C 13 39.024 0.000 . 1 . . . . . 95 Y CB . 28098 1 263 . 1 . 1 95 95 TYR N N 15 120.483 0.207 . 1 . . . . . 95 Y N . 28098 1 264 . 1 . 1 96 96 ASN H H 1 8.293 0.001 . 1 . . . . . 96 N HN . 28098 1 265 . 1 . 1 96 96 ASN CA C 13 52.923 0.000 . 1 . . . . . 96 N CA . 28098 1 266 . 1 . 1 96 96 ASN CB C 13 38.787 0.000 . 1 . . . . . 96 N CB . 28098 1 267 . 1 . 1 96 96 ASN N N 15 120.509 0.011 . 1 . . . . . 96 N N . 28098 1 268 . 1 . 1 97 97 TYR H H 1 7.905 0.006 . 1 . . . . . 97 Y HN . 28098 1 269 . 1 . 1 97 97 TYR CA C 13 57.935 0.000 . 1 . . . . . 97 Y CA . 28098 1 270 . 1 . 1 97 97 TYR CB C 13 38.805 0.000 . 1 . . . . . 97 Y CB . 28098 1 271 . 1 . 1 97 97 TYR N N 15 120.509 0.029 . 1 . . . . . 97 Y N . 28098 1 272 . 1 . 1 98 98 ILE H H 1 7.876 0.004 . 1 . . . . . 98 I HN . 28098 1 273 . 1 . 1 98 98 ILE CA C 13 60.906 0.000 . 1 . . . . . 98 I CA . 28098 1 274 . 1 . 1 98 98 ILE CB C 13 38.815 0.000 . 1 . . . . . 98 I CB . 28098 1 275 . 1 . 1 98 98 ILE N N 15 123.276 0.054 . 1 . . . . . 98 I N . 28098 1 276 . 1 . 1 99 99 LYS H H 1 8.220 0.022 . 1 . . . . . 99 K HN . 28098 1 277 . 1 . 1 99 99 LYS CA C 13 56.090 0.000 . 1 . . . . . 99 K CA . 28098 1 278 . 1 . 1 99 99 LYS CB C 13 33.015 0.000 . 1 . . . . . 99 K CB . 28098 1 279 . 1 . 1 99 99 LYS N N 15 125.983 0.185 . 1 . . . . . 99 K N . 28098 1 280 . 1 . 1 100 100 LEU H H 1 8.275 0.019 . 1 . . . . . 100 L HN . 28098 1 281 . 1 . 1 100 100 LEU CA C 13 55.138 0.000 . 1 . . . . . 100 L CA . 28098 1 282 . 1 . 1 100 100 LEU CB C 13 42.439 0.000 . 1 . . . . . 100 L CB . 28098 1 283 . 1 . 1 100 100 LEU N N 15 124.602 0.204 . 1 . . . . . 100 L N . 28098 1 284 . 1 . 1 101 101 SER H H 1 8.242 0.007 . 1 . . . . . 101 S HN . 28098 1 285 . 1 . 1 101 101 SER CA C 13 58.225 0.000 . 1 . . . . . 101 S CA . 28098 1 286 . 1 . 1 101 101 SER CB C 13 63.721 0.000 . 1 . . . . . 101 S CB . 28098 1 287 . 1 . 1 101 101 SER N N 15 116.711 0.084 . 1 . . . . . 101 S N . 28098 1 288 . 1 . 1 102 102 GLU H H 1 8.252 0.015 . 1 . . . . . 102 E HN . 28098 1 289 . 1 . 1 102 102 GLU CA C 13 54.331 0.000 . 1 . . . . . 102 E CA . 28098 1 290 . 1 . 1 102 102 GLU CB C 13 30.025 0.000 . 1 . . . . . 102 E CB . 28098 1 291 . 1 . 1 102 102 GLU N N 15 123.757 0.014 . 1 . . . . . 102 E N . 28098 1 292 . 1 . 1 104 104 VAL H H 1 8.177 0.001 . 1 . . . . . 104 V HN . 28098 1 293 . 1 . 1 104 104 VAL CA C 13 59.868 0.000 . 1 . . . . . 104 V CA . 28098 1 294 . 1 . 1 104 104 VAL CB C 13 32.518 0.000 . 1 . . . . . 104 V CB . 28098 1 295 . 1 . 1 104 104 VAL N N 15 121.764 0.051 . 1 . . . . . 104 V N . 28098 1 296 . 1 . 1 106 106 LYS H H 1 8.375 0.003 . 1 . . . . . 106 K HN . 28098 1 297 . 1 . 1 106 106 LYS CA C 13 56.318 0.000 . 1 . . . . . 106 K CA . 28098 1 298 . 1 . 1 106 106 LYS CB C 13 33.109 0.000 . 1 . . . . . 106 K CB . 28098 1 299 . 1 . 1 106 106 LYS N N 15 121.696 0.062 . 1 . . . . . 106 K N . 28098 1 300 . 1 . 1 107 107 PHE H H 1 8.109 0.001 . 1 . . . . . 107 F HN . 28098 1 301 . 1 . 1 107 107 PHE CA C 13 57.343 0.000 . 1 . . . . . 107 F CA . 28098 1 302 . 1 . 1 107 107 PHE CB C 13 39.885 0.000 . 1 . . . . . 107 F CB . 28098 1 303 . 1 . 1 107 107 PHE N N 15 120.970 0.005 . 1 . . . . . 107 F N . 28098 1 304 . 1 . 1 108 108 LYS H H 1 8.150 0.000 . 1 . . . . . 108 K HN . 28098 1 305 . 1 . 1 108 108 LYS CA C 13 53.615 0.000 . 1 . . . . . 108 K CA . 28098 1 306 . 1 . 1 108 108 LYS CB C 13 33.047 0.000 . 1 . . . . . 108 K CB . 28098 1 307 . 1 . 1 108 108 LYS N N 15 125.486 0.029 . 1 . . . . . 108 K N . 28098 1 308 . 1 . 1 110 110 ALA H H 1 8.370 0.001 . 1 . . . . . 110 A HN . 28098 1 309 . 1 . 1 110 110 ALA CA C 13 52.230 0.000 . 1 . . . . . 110 A CA . 28098 1 310 . 1 . 1 110 110 ALA CB C 13 19.336 0.000 . 1 . . . . . 110 A CB . 28098 1 311 . 1 . 1 110 110 ALA N N 15 124.699 0.000 . 1 . . . . . 110 A N . 28098 1 312 . 1 . 1 111 111 VAL H H 1 8.086 0.009 . 1 . . . . . 111 V HN . 28098 1 313 . 1 . 1 111 111 VAL CA C 13 62.039 0.000 . 1 . . . . . 111 V CA . 28098 1 314 . 1 . 1 111 111 VAL CB C 13 32.831 0.000 . 1 . . . . . 111 V CB . 28098 1 315 . 1 . 1 111 111 VAL N N 15 119.954 0.082 . 1 . . . . . 111 V N . 28098 1 316 . 1 . 1 112 112 LEU H H 1 8.264 0.001 . 1 . . . . . 112 L HN . 28098 1 317 . 1 . 1 112 112 LEU CA C 13 54.953 0.000 . 1 . . . . . 112 L CA . 28098 1 318 . 1 . 1 112 112 LEU CB C 13 42.377 0.000 . 1 . . . . . 112 L CB . 28098 1 319 . 1 . 1 112 112 LEU N N 15 126.261 0.000 . 1 . . . . . 112 L N . 28098 1 320 . 1 . 1 113 113 GLN H H 1 8.285 0.026 . 1 . . . . . 113 Q HN . 28098 1 321 . 1 . 1 113 113 GLN CA C 13 55.254 0.000 . 1 . . . . . 113 Q CA . 28098 1 322 . 1 . 1 113 113 GLN CB C 13 29.538 0.000 . 1 . . . . . 113 Q CB . 28098 1 323 . 1 . 1 113 113 GLN N N 15 121.764 0.336 . 1 . . . . . 113 Q N . 28098 1 324 . 1 . 1 114 114 MET H H 1 8.396 0.007 . 1 . . . . . 114 M HN . 28098 1 325 . 1 . 1 114 114 MET CA C 13 53.181 0.000 . 1 . . . . . 114 M CA . 28098 1 326 . 1 . 1 114 114 MET CB C 13 32.299 0.000 . 1 . . . . . 114 M CB . 28098 1 327 . 1 . 1 114 114 MET N N 15 123.519 0.047 . 1 . . . . . 114 M N . 28098 1 328 . 1 . 1 116 116 SER H H 1 8.487 0.004 . 1 . . . . . 116 S HN . 28098 1 329 . 1 . 1 116 116 SER CA C 13 58.236 0.000 . 1 . . . . . 116 S CA . 28098 1 330 . 1 . 1 116 116 SER CB C 13 63.768 0.000 . 1 . . . . . 116 S CB . 28098 1 331 . 1 . 1 116 116 SER N N 15 116.433 0.008 . 1 . . . . . 116 S N . 28098 1 332 . 1 . 1 117 117 THR H H 1 8.215 0.017 . 1 . . . . . 117 T HN . 28098 1 333 . 1 . 1 117 117 THR CA C 13 61.700 0.000 . 1 . . . . . 117 T CA . 28098 1 334 . 1 . 1 117 117 THR CB C 13 69.720 0.000 . 1 . . . . . 117 T CB . 28098 1 335 . 1 . 1 117 117 THR N N 15 115.797 0.163 . 1 . . . . . 117 T N . 28098 1 336 . 1 . 1 118 118 SER H H 1 8.275 0.028 . 1 . . . . . 118 S HN . 28098 1 337 . 1 . 1 118 118 SER CA C 13 58.494 0.000 . 1 . . . . . 118 S CA . 28098 1 338 . 1 . 1 118 118 SER CB C 13 63.815 0.000 . 1 . . . . . 118 S CB . 28098 1 339 . 1 . 1 118 118 SER N N 15 117.789 0.055 . 1 . . . . . 118 S N . 28098 1 340 . 1 . 1 119 119 GLU H H 1 8.416 0.012 . 1 . . . . . 119 E HN . 28098 1 341 . 1 . 1 119 119 GLU CA C 13 56.595 0.000 . 1 . . . . . 119 E CA . 28098 1 342 . 1 . 1 119 119 GLU CB C 13 30.348 0.000 . 1 . . . . . 119 E CB . 28098 1 343 . 1 . 1 119 119 GLU N N 15 122.952 0.070 . 1 . . . . . 119 E N . 28098 1 344 . 1 . 1 120 120 THR H H 1 8.200 0.004 . 1 . . . . . 120 T HN . 28098 1 345 . 1 . 1 120 120 THR CA C 13 61.800 0.000 . 1 . . . . . 120 T CA . 28098 1 346 . 1 . 1 120 120 THR CB C 13 69.714 0.000 . 1 . . . . . 120 T CB . 28098 1 347 . 1 . 1 120 120 THR N N 15 115.999 0.044 . 1 . . . . . 120 T N . 28098 1 stop_ save_