data_36112 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36112 _Entry.Title ; NMR structure of the domain 5 of the E. coli ribosomal protein S1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-16 _Entry.Accession_date 2017-10-18 _Entry.Last_release_date 2017-10-18 _Entry.Original_release_date 2017-10-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Lu Y. . . . 36112 2 L. Lim L. Z. . . 36112 3 J. Song J. . . . 36112 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E. coli ribosomal protein' . 36112 'NMR solution structure' . 36112 'RIBOSOMAL PROTEIN' . 36112 'S1 RNA-binding domain' . 36112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 177 36112 '15N chemical shifts' 89 36112 '1H chemical shifts' 178 36112 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 . . 2018-07-11 . original BMRB . 36112 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5Y70 'BMRB Entry Tracking System' 36112 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36112 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of the domain 5 of the E. coli ribosomal protein S1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 Y. Lu Y. . . . 36112 1 2 L. Lim L. Z. . . 36112 1 3 J. Song J. . . . 36112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36112 _Assembly.ID 1 _Assembly.Name '30S ribosomal protein S1' _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 entity_1 1 $entity_1 A A yes . . . . . . 36112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36112 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATTYEEFAAKLDRLDAEFA KKMEEQNKRFFADKPDEATL SPEMKEHYEKFEKMIQEHTD KFNKKMREHSEHFKAKFAEL LEQQKNAQFPGKGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12071.572 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID KMP-11 na 36112 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36112 1 2 2 ALA . 36112 1 3 3 THR . 36112 1 4 4 THR . 36112 1 5 5 TYR . 36112 1 6 6 GLU . 36112 1 7 7 GLU . 36112 1 8 8 PHE . 36112 1 9 9 ALA . 36112 1 10 10 ALA . 36112 1 11 11 LYS . 36112 1 12 12 LEU . 36112 1 13 13 ASP . 36112 1 14 14 ARG . 36112 1 15 15 LEU . 36112 1 16 16 ASP . 36112 1 17 17 ALA . 36112 1 18 18 GLU . 36112 1 19 19 PHE . 36112 1 20 20 ALA . 36112 1 21 21 LYS . 36112 1 22 22 LYS . 36112 1 23 23 MET . 36112 1 24 24 GLU . 36112 1 25 25 GLU . 36112 1 26 26 GLN . 36112 1 27 27 ASN . 36112 1 28 28 LYS . 36112 1 29 29 ARG . 36112 1 30 30 PHE . 36112 1 31 31 PHE . 36112 1 32 32 ALA . 36112 1 33 33 ASP . 36112 1 34 34 LYS . 36112 1 35 35 PRO . 36112 1 36 36 ASP . 36112 1 37 37 GLU . 36112 1 38 38 ALA . 36112 1 39 39 THR . 36112 1 40 40 LEU . 36112 1 41 41 SER . 36112 1 42 42 PRO . 36112 1 43 43 GLU . 36112 1 44 44 MET . 36112 1 45 45 LYS . 36112 1 46 46 GLU . 36112 1 47 47 HIS . 36112 1 48 48 TYR . 36112 1 49 49 GLU . 36112 1 50 50 LYS . 36112 1 51 51 PHE . 36112 1 52 52 GLU . 36112 1 53 53 LYS . 36112 1 54 54 MET . 36112 1 55 55 ILE . 36112 1 56 56 GLN . 36112 1 57 57 GLU . 36112 1 58 58 HIS . 36112 1 59 59 THR . 36112 1 60 60 ASP . 36112 1 61 61 LYS . 36112 1 62 62 PHE . 36112 1 63 63 ASN . 36112 1 64 64 LYS . 36112 1 65 65 LYS . 36112 1 66 66 MET . 36112 1 67 67 ARG . 36112 1 68 68 GLU . 36112 1 69 69 HIS . 36112 1 70 70 SER . 36112 1 71 71 GLU . 36112 1 72 72 HIS . 36112 1 73 73 PHE . 36112 1 74 74 LYS . 36112 1 75 75 ALA . 36112 1 76 76 LYS . 36112 1 77 77 PHE . 36112 1 78 78 ALA . 36112 1 79 79 GLU . 36112 1 80 80 LEU . 36112 1 81 81 LEU . 36112 1 82 82 GLU . 36112 1 83 83 GLN . 36112 1 84 84 GLN . 36112 1 85 85 LYS . 36112 1 86 86 ASN . 36112 1 87 87 ALA . 36112 1 88 88 GLN . 36112 1 89 89 PHE . 36112 1 90 90 PRO . 36112 1 91 91 GLY . 36112 1 92 92 LYS . 36112 1 93 93 GLY . 36112 1 94 94 SER . 36112 1 95 95 HIS . 36112 1 96 96 HIS . 36112 1 97 97 HIS . 36112 1 98 98 HIS . 36112 1 99 99 HIS . 36112 1 100 100 HIS . 36112 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 36112 1 . ALA 2 2 36112 1 . THR 3 3 36112 1 . THR 4 4 36112 1 . TYR 5 5 36112 1 . GLU 6 6 36112 1 . GLU 7 7 36112 1 . PHE 8 8 36112 1 . ALA 9 9 36112 1 . ALA 10 10 36112 1 . LYS 11 11 36112 1 . LEU 12 12 36112 1 . ASP 13 13 36112 1 . ARG 14 14 36112 1 . LEU 15 15 36112 1 . ASP 16 16 36112 1 . ALA 17 17 36112 1 . GLU 18 18 36112 1 . PHE 19 19 36112 1 . ALA 20 20 36112 1 . LYS 21 21 36112 1 . LYS 22 22 36112 1 . MET 23 23 36112 1 . GLU 24 24 36112 1 . GLU 25 25 36112 1 . GLN 26 26 36112 1 . ASN 27 27 36112 1 . LYS 28 28 36112 1 . ARG 29 29 36112 1 . PHE 30 30 36112 1 . PHE 31 31 36112 1 . ALA 32 32 36112 1 . ASP 33 33 36112 1 . LYS 34 34 36112 1 . PRO 35 35 36112 1 . ASP 36 36 36112 1 . GLU 37 37 36112 1 . ALA 38 38 36112 1 . THR 39 39 36112 1 . LEU 40 40 36112 1 . SER 41 41 36112 1 . PRO 42 42 36112 1 . GLU 43 43 36112 1 . MET 44 44 36112 1 . LYS 45 45 36112 1 . GLU 46 46 36112 1 . HIS 47 47 36112 1 . TYR 48 48 36112 1 . GLU 49 49 36112 1 . LYS 50 50 36112 1 . PHE 51 51 36112 1 . GLU 52 52 36112 1 . LYS 53 53 36112 1 . MET 54 54 36112 1 . ILE 55 55 36112 1 . GLN 56 56 36112 1 . GLU 57 57 36112 1 . HIS 58 58 36112 1 . THR 59 59 36112 1 . ASP 60 60 36112 1 . LYS 61 61 36112 1 . PHE 62 62 36112 1 . ASN 63 63 36112 1 . LYS 64 64 36112 1 . LYS 65 65 36112 1 . MET 66 66 36112 1 . ARG 67 67 36112 1 . GLU 68 68 36112 1 . HIS 69 69 36112 1 . SER 70 70 36112 1 . GLU 71 71 36112 1 . HIS 72 72 36112 1 . PHE 73 73 36112 1 . LYS 74 74 36112 1 . ALA 75 75 36112 1 . LYS 76 76 36112 1 . PHE 77 77 36112 1 . ALA 78 78 36112 1 . GLU 79 79 36112 1 . LEU 80 80 36112 1 . LEU 81 81 36112 1 . GLU 82 82 36112 1 . GLN 83 83 36112 1 . GLN 84 84 36112 1 . LYS 85 85 36112 1 . ASN 86 86 36112 1 . ALA 87 87 36112 1 . GLN 88 88 36112 1 . PHE 89 89 36112 1 . PRO 90 90 36112 1 . GLY 91 91 36112 1 . LYS 92 92 36112 1 . GLY 93 93 36112 1 . SER 94 94 36112 1 . HIS 95 95 36112 1 . HIS 96 96 36112 1 . HIS 97 97 36112 1 . HIS 98 98 36112 1 . HIS 99 99 36112 1 . HIS 100 100 36112 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 36112 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 5702 organism . 'Trypanosoma brucei brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . 'KMP-11/1, KMP-11/2, KMP-11/3, KMP-11/4' . 36112 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 36112 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 . . K-12 . . . . . . . . . 36112 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36112 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-99% 13C; U-99% 15N] KMP-11, 150 mM DPC, 90% H2O/10% D2O' _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 KMP-11 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 500 . . uM . . . . 36112 1 2 DPC 'natural abundance' . . . . . . 150 . . mM . . . . 36112 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36112 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36112 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 36112 _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 'ionic strength' 200 10 mM 36112 1 pH 6.5 0.1 pH 36112 1 pressure 1 0.01 atm 36112 1 temperature 313 0.1 K 36112 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36112 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version 10 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 36112 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 36112 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36112 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36112 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 36112 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36112 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36112 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 36112 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 36112 _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 NMR_spectrometer_1 Bruker Avance . 800 . . . 36112 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 36112 _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 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36112 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36112 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36112 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 36112 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36112 _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 0.000 internal indirect 0.251449530 . . . . . 36112 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36112 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36112 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36112 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36112 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36112 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36112 1 4 '3D HNCACB' 1 $sample_1 isotropic 36112 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 1 1 MET H H 1 8.388 . . . . . . . A 1 MET H1 . 36112 1 2 . 1 1 1 1 MET CA C 13 56.099 . . . . . . . A 1 MET CA . 36112 1 3 . 1 1 1 1 MET CB C 13 32.952 . . . . . . . A 1 MET CB . 36112 1 4 . 1 1 1 1 MET N N 15 120.800 . . . . . . . A 1 MET N . 36112 1 5 . 1 1 2 2 ALA H H 1 8.247 . . . . . . . A 2 ALA H . 36112 1 6 . 1 1 2 2 ALA HA H 1 4.298 . . . . . . . A 2 ALA HA . 36112 1 7 . 1 1 2 2 ALA CA C 13 53.515 . . . . . . . A 2 ALA CA . 36112 1 8 . 1 1 2 2 ALA CB C 13 19.201 . . . . . . . A 2 ALA CB . 36112 1 9 . 1 1 2 2 ALA N N 15 123.762 . . . . . . . A 2 ALA N . 36112 1 10 . 1 1 3 3 THR H H 1 8.160 . . . . . . . A 3 THR H . 36112 1 11 . 1 1 3 3 THR HA H 1 4.310 . . . . . . . A 3 THR HA . 36112 1 12 . 1 1 3 3 THR CA C 13 63.116 . . . . . . . A 3 THR CA . 36112 1 13 . 1 1 3 3 THR CB C 13 69.786 . . . . . . . A 3 THR CB . 36112 1 14 . 1 1 3 3 THR N N 15 112.485 . . . . . . . A 3 THR N . 36112 1 15 . 1 1 4 4 THR H H 1 8.187 . . . . . . . A 4 THR H . 36112 1 16 . 1 1 4 4 THR HA H 1 4.205 . . . . . . . A 4 THR HA . 36112 1 17 . 1 1 4 4 THR CA C 13 64.308 . . . . . . . A 4 THR CA . 36112 1 18 . 1 1 4 4 THR CB C 13 69.526 . . . . . . . A 4 THR CB . 36112 1 19 . 1 1 4 4 THR N N 15 116.598 . . . . . . . A 4 THR N . 36112 1 20 . 1 1 5 5 TYR H H 1 8.532 . . . . . . . A 5 TYR H . 36112 1 21 . 1 1 5 5 TYR HA H 1 4.192 . . . . . . . A 5 TYR HA . 36112 1 22 . 1 1 5 5 TYR CA C 13 61.223 . . . . . . . A 5 TYR CA . 36112 1 23 . 1 1 5 5 TYR CB C 13 38.118 . . . . . . . A 5 TYR CB . 36112 1 24 . 1 1 5 5 TYR N N 15 120.698 . . . . . . . A 5 TYR N . 36112 1 25 . 1 1 6 6 GLU H H 1 8.368 . . . . . . . A 6 GLU H . 36112 1 26 . 1 1 6 6 GLU HA H 1 3.862 . . . . . . . A 6 GLU HA . 36112 1 27 . 1 1 6 6 GLU CA C 13 59.816 . . . . . . . A 6 GLU CA . 36112 1 28 . 1 1 6 6 GLU CB C 13 29.576 . . . . . . . A 6 GLU CB . 36112 1 29 . 1 1 6 6 GLU N N 15 119.038 . . . . . . . A 6 GLU N . 36112 1 30 . 1 1 7 7 GLU H H 1 8.168 . . . . . . . A 7 GLU H . 36112 1 31 . 1 1 7 7 GLU HA H 1 4.081 . . . . . . . A 7 GLU HA . 36112 1 32 . 1 1 7 7 GLU CA C 13 58.825 . . . . . . . A 7 GLU CA . 36112 1 33 . 1 1 7 7 GLU CB C 13 29.610 . . . . . . . A 7 GLU CB . 36112 1 34 . 1 1 7 7 GLU N N 15 119.409 . . . . . . . A 7 GLU N . 36112 1 35 . 1 1 8 8 PHE H H 1 8.123 . . . . . . . A 8 PHE H . 36112 1 36 . 1 1 8 8 PHE HA H 1 4.195 . . . . . . . A 8 PHE HA . 36112 1 37 . 1 1 8 8 PHE CA C 13 60.932 . . . . . . . A 8 PHE CA . 36112 1 38 . 1 1 8 8 PHE CB C 13 39.141 . . . . . . . A 8 PHE CB . 36112 1 39 . 1 1 8 8 PHE N N 15 119.420 . . . . . . . A 8 PHE N . 36112 1 40 . 1 1 9 9 ALA H H 1 8.581 . . . . . . . A 9 ALA H . 36112 1 41 . 1 1 9 9 ALA HA H 1 3.765 . . . . . . . A 9 ALA HA . 36112 1 42 . 1 1 9 9 ALA CA C 13 55.042 . . . . . . . A 9 ALA CA . 36112 1 43 . 1 1 9 9 ALA CB C 13 17.789 . . . . . . . A 9 ALA CB . 36112 1 44 . 1 1 9 9 ALA N N 15 121.244 . . . . . . . A 9 ALA N . 36112 1 45 . 1 1 10 10 ALA H H 1 7.763 . . . . . . . A 10 ALA H . 36112 1 46 . 1 1 10 10 ALA HA H 1 4.143 . . . . . . . A 10 ALA HA . 36112 1 47 . 1 1 10 10 ALA CA C 13 54.219 . . . . . . . A 10 ALA CA . 36112 1 48 . 1 1 10 10 ALA CB C 13 18.362 . . . . . . . A 10 ALA CB . 36112 1 49 . 1 1 10 10 ALA N N 15 118.533 . . . . . . . A 10 ALA N . 36112 1 50 . 1 1 11 11 LYS H H 1 7.702 . . . . . . . A 11 LYS H . 36112 1 51 . 1 1 11 11 LYS HA H 1 4.105 . . . . . . . A 11 LYS HA . 36112 1 52 . 1 1 11 11 LYS CA C 13 57.760 . . . . . . . A 11 LYS CA . 36112 1 53 . 1 1 11 11 LYS CB C 13 32.427 . . . . . . . A 11 LYS CB . 36112 1 54 . 1 1 11 11 LYS N N 15 117.147 . . . . . . . A 11 LYS N . 36112 1 55 . 1 1 12 12 LEU H H 1 7.756 . . . . . . . A 12 LEU H . 36112 1 56 . 1 1 12 12 LEU HA H 1 3.983 . . . . . . . A 12 LEU HA . 36112 1 57 . 1 1 12 12 LEU CA C 13 56.957 . . . . . . . A 12 LEU CA . 36112 1 58 . 1 1 12 12 LEU CB C 13 41.548 . . . . . . . A 12 LEU CB . 36112 1 59 . 1 1 12 12 LEU N N 15 118.985 . . . . . . . A 12 LEU N . 36112 1 60 . 1 1 13 13 ASP H H 1 7.947 . . . . . . . A 13 ASP H . 36112 1 61 . 1 1 13 13 ASP HA H 1 4.380 . . . . . . . A 13 ASP HA . 36112 1 62 . 1 1 13 13 ASP CA C 13 56.264 . . . . . . . A 13 ASP CA . 36112 1 63 . 1 1 13 13 ASP CB C 13 41.244 . . . . . . . A 13 ASP CB . 36112 1 64 . 1 1 13 13 ASP N N 15 118.081 . . . . . . . A 13 ASP N . 36112 1 65 . 1 1 14 14 ARG H H 1 7.715 . . . . . . . A 14 ARG H . 36112 1 66 . 1 1 14 14 ARG HA H 1 4.231 . . . . . . . A 14 ARG HA . 36112 1 67 . 1 1 14 14 ARG CA C 13 56.625 . . . . . . . A 14 ARG CA . 36112 1 68 . 1 1 14 14 ARG CB C 13 30.220 . . . . . . . A 14 ARG CB . 36112 1 69 . 1 1 14 14 ARG N N 15 117.034 . . . . . . . A 14 ARG N . 36112 1 70 . 1 1 15 15 LEU H H 1 7.813 . . . . . . . A 15 LEU H . 36112 1 71 . 1 1 15 15 LEU HA H 1 4.124 . . . . . . . A 15 LEU HA . 36112 1 72 . 1 1 15 15 LEU CA C 13 56.349 . . . . . . . A 15 LEU CA . 36112 1 73 . 1 1 15 15 LEU CB C 13 42.134 . . . . . . . A 15 LEU CB . 36112 1 74 . 1 1 15 15 LEU N N 15 120.720 . . . . . . . A 15 LEU N . 36112 1 75 . 1 1 16 16 ASP H H 1 8.167 . . . . . . . A 16 ASP H . 36112 1 76 . 1 1 16 16 ASP HA H 1 4.507 . . . . . . . A 16 ASP HA . 36112 1 77 . 1 1 16 16 ASP CA C 13 54.882 . . . . . . . A 16 ASP CA . 36112 1 78 . 1 1 16 16 ASP CB C 13 41.907 . . . . . . . A 16 ASP CB . 36112 1 79 . 1 1 16 16 ASP N N 15 119.611 . . . . . . . A 16 ASP N . 36112 1 80 . 1 1 17 17 ALA H H 1 8.436 . . . . . . . A 17 ALA H . 36112 1 81 . 1 1 17 17 ALA HA H 1 4.166 . . . . . . . A 17 ALA HA . 36112 1 82 . 1 1 17 17 ALA CA C 13 54.804 . . . . . . . A 17 ALA CA . 36112 1 83 . 1 1 17 17 ALA CB C 13 18.758 . . . . . . . A 17 ALA CB . 36112 1 84 . 1 1 17 17 ALA N N 15 123.622 . . . . . . . A 17 ALA N . 36112 1 85 . 1 1 18 18 GLU H H 1 8.364 . . . . . . . A 18 GLU H . 36112 1 86 . 1 1 18 18 GLU HA H 1 4.139 . . . . . . . A 18 GLU HA . 36112 1 87 . 1 1 18 18 GLU CA C 13 58.431 . . . . . . . A 18 GLU CA . 36112 1 88 . 1 1 18 18 GLU CB C 13 29.261 . . . . . . . A 18 GLU CB . 36112 1 89 . 1 1 18 18 GLU N N 15 118.100 . . . . . . . A 18 GLU N . 36112 1 90 . 1 1 19 19 PHE H H 1 8.436 . . . . . . . A 19 PHE H . 36112 1 91 . 1 1 19 19 PHE HA H 1 4.202 . . . . . . . A 19 PHE HA . 36112 1 92 . 1 1 19 19 PHE CA C 13 61.176 . . . . . . . A 19 PHE CA . 36112 1 93 . 1 1 19 19 PHE CB C 13 39.226 . . . . . . . A 19 PHE CB . 36112 1 94 . 1 1 19 19 PHE N N 15 120.959 . . . . . . . A 19 PHE N . 36112 1 95 . 1 1 20 20 ALA H H 1 8.339 . . . . . . . A 20 ALA H . 36112 1 96 . 1 1 20 20 ALA HA H 1 3.924 . . . . . . . A 20 ALA HA . 36112 1 97 . 1 1 20 20 ALA CA C 13 55.170 . . . . . . . A 20 ALA CA . 36112 1 98 . 1 1 20 20 ALA CB C 13 18.106 . . . . . . . A 20 ALA CB . 36112 1 99 . 1 1 20 20 ALA N N 15 120.781 . . . . . . . A 20 ALA N . 36112 1 100 . 1 1 21 21 LYS H H 1 7.886 . . . . . . . A 21 LYS H . 36112 1 101 . 1 1 21 21 LYS HA H 1 4.064 . . . . . . . A 21 LYS HA . 36112 1 102 . 1 1 21 21 LYS CA C 13 58.762 . . . . . . . A 21 LYS CA . 36112 1 103 . 1 1 21 21 LYS CB C 13 32.221 . . . . . . . A 21 LYS CB . 36112 1 104 . 1 1 21 21 LYS N N 15 117.975 . . . . . . . A 21 LYS N . 36112 1 105 . 1 1 22 22 LYS H H 1 7.945 . . . . . . . A 22 LYS H . 36112 1 106 . 1 1 22 22 LYS HA H 1 4.120 . . . . . . . A 22 LYS HA . 36112 1 107 . 1 1 22 22 LYS CA C 13 58.456 . . . . . . . A 22 LYS CA . 36112 1 108 . 1 1 22 22 LYS CB C 13 32.041 . . . . . . . A 22 LYS CB . 36112 1 109 . 1 1 22 22 LYS N N 15 119.565 . . . . . . . A 22 LYS N . 36112 1 110 . 1 1 23 23 MET H H 1 8.139 . . . . . . . A 23 MET H . 36112 1 111 . 1 1 23 23 MET HA H 1 4.161 . . . . . . . A 23 MET HA . 36112 1 112 . 1 1 23 23 MET CA C 13 57.539 . . . . . . . A 23 MET CA . 36112 1 113 . 1 1 23 23 MET CB C 13 32.321 . . . . . . . A 23 MET CB . 36112 1 114 . 1 1 23 23 MET N N 15 118.319 . . . . . . . A 23 MET N . 36112 1 115 . 1 1 24 24 GLU H H 1 8.157 . . . . . . . A 24 GLU H . 36112 1 116 . 1 1 24 24 GLU HA H 1 4.065 . . . . . . . A 24 GLU HA . 36112 1 117 . 1 1 24 24 GLU CA C 13 59.033 . . . . . . . A 24 GLU CA . 36112 1 118 . 1 1 24 24 GLU CB C 13 29.509 . . . . . . . A 24 GLU CB . 36112 1 119 . 1 1 24 24 GLU N N 15 120.578 . . . . . . . A 24 GLU N . 36112 1 120 . 1 1 25 25 GLU H H 1 8.114 . . . . . . . A 25 GLU H . 36112 1 121 . 1 1 25 25 GLU HA H 1 4.010 . . . . . . . A 25 GLU HA . 36112 1 122 . 1 1 25 25 GLU CA C 13 58.833 . . . . . . . A 25 GLU CA . 36112 1 123 . 1 1 25 25 GLU CB C 13 29.751 . . . . . . . A 25 GLU CB . 36112 1 124 . 1 1 25 25 GLU N N 15 119.153 . . . . . . . A 25 GLU N . 36112 1 125 . 1 1 26 26 GLN H H 1 8.120 . . . . . . . A 26 GLN H . 36112 1 126 . 1 1 26 26 GLN HA H 1 4.148 . . . . . . . A 26 GLN HA . 36112 1 127 . 1 1 26 26 GLN CA C 13 57.301 . . . . . . . A 26 GLN CA . 36112 1 128 . 1 1 26 26 GLN CB C 13 28.441 . . . . . . . A 26 GLN CB . 36112 1 129 . 1 1 26 26 GLN N N 15 117.723 . . . . . . . A 26 GLN N . 36112 1 130 . 1 1 27 27 ASN H H 1 8.274 . . . . . . . A 27 ASN H . 36112 1 131 . 1 1 27 27 ASN HA H 1 4.583 . . . . . . . A 27 ASN HA . 36112 1 132 . 1 1 27 27 ASN CA C 13 55.390 . . . . . . . A 27 ASN CA . 36112 1 133 . 1 1 27 27 ASN CB C 13 39.054 . . . . . . . A 27 ASN CB . 36112 1 134 . 1 1 27 27 ASN N N 15 118.157 . . . . . . . A 27 ASN N . 36112 1 135 . 1 1 28 28 LYS H H 1 7.953 . . . . . . . A 28 LYS H . 36112 1 136 . 1 1 28 28 LYS HA H 1 4.124 . . . . . . . A 28 LYS HA . 36112 1 137 . 1 1 28 28 LYS CA C 13 58.301 . . . . . . . A 28 LYS CA . 36112 1 138 . 1 1 28 28 LYS CB C 13 32.535 . . . . . . . A 28 LYS CB . 36112 1 139 . 1 1 28 28 LYS N N 15 118.711 . . . . . . . A 28 LYS N . 36112 1 140 . 1 1 29 29 ARG H H 1 7.908 . . . . . . . A 29 ARG H . 36112 1 141 . 1 1 29 29 ARG HA H 1 4.129 . . . . . . . A 29 ARG HA . 36112 1 142 . 1 1 29 29 ARG CA C 13 57.379 . . . . . . . A 29 ARG CA . 36112 1 143 . 1 1 29 29 ARG CB C 13 30.420 . . . . . . . A 29 ARG CB . 36112 1 144 . 1 1 29 29 ARG N N 15 118.471 . . . . . . . A 29 ARG N . 36112 1 145 . 1 1 30 30 PHE H H 1 8.044 . . . . . . . A 30 PHE H . 36112 1 146 . 1 1 30 30 PHE HA H 1 4.335 . . . . . . . A 30 PHE HA . 36112 1 147 . 1 1 30 30 PHE CA C 13 59.307 . . . . . . . A 30 PHE CA . 36112 1 148 . 1 1 30 30 PHE CB C 13 39.746 . . . . . . . A 30 PHE CB . 36112 1 149 . 1 1 30 30 PHE N N 15 118.350 . . . . . . . A 30 PHE N . 36112 1 150 . 1 1 31 31 PHE H H 1 7.964 . . . . . . . A 31 PHE H . 36112 1 151 . 1 1 31 31 PHE HA H 1 4.812 . . . . . . . A 31 PHE HA . 36112 1 152 . 1 1 31 31 PHE CA C 13 57.692 . . . . . . . A 31 PHE CA . 36112 1 153 . 1 1 31 31 PHE CB C 13 39.399 . . . . . . . A 31 PHE CB . 36112 1 154 . 1 1 31 31 PHE N N 15 116.250 . . . . . . . A 31 PHE N . 36112 1 155 . 1 1 32 32 ALA H H 1 7.880 . . . . . . . A 32 ALA H . 36112 1 156 . 1 1 32 32 ALA HA H 1 4.274 . . . . . . . A 32 ALA HA . 36112 1 157 . 1 1 32 32 ALA CA C 13 52.919 . . . . . . . A 32 ALA CA . 36112 1 158 . 1 1 32 32 ALA CB C 13 19.661 . . . . . . . A 32 ALA CB . 36112 1 159 . 1 1 32 32 ALA N N 15 122.951 . . . . . . . A 32 ALA N . 36112 1 160 . 1 1 33 33 ASP H H 1 8.251 . . . . . . . A 33 ASP H . 36112 1 161 . 1 1 33 33 ASP HA H 1 4.549 . . . . . . . A 33 ASP HA . 36112 1 162 . 1 1 33 33 ASP CA C 13 54.487 . . . . . . . A 33 ASP CA . 36112 1 163 . 1 1 33 33 ASP CB C 13 41.316 . . . . . . . A 33 ASP CB . 36112 1 164 . 1 1 33 33 ASP N N 15 118.303 . . . . . . . A 33 ASP N . 36112 1 165 . 1 1 34 34 LYS H H 1 8.023 . . . . . . . A 34 LYS H . 36112 1 166 . 1 1 34 34 LYS HA H 1 4.578 . . . . . . . A 34 LYS HA . 36112 1 167 . 1 1 34 34 LYS CA C 13 54.051 . . . . . . . A 34 LYS CA . 36112 1 168 . 1 1 34 34 LYS CB C 13 32.738 . . . . . . . A 34 LYS CB . 36112 1 169 . 1 1 34 34 LYS N N 15 120.459 . . . . . . . A 34 LYS N . 36112 1 170 . 1 1 36 36 ASP H H 1 8.413 . . . . . . . A 36 ASP H . 36112 1 171 . 1 1 36 36 ASP HA H 1 4.483 . . . . . . . A 36 ASP HA . 36112 1 172 . 1 1 36 36 ASP CA C 13 54.538 . . . . . . . A 36 ASP CA . 36112 1 173 . 1 1 36 36 ASP CB C 13 41.051 . . . . . . . A 36 ASP CB . 36112 1 174 . 1 1 36 36 ASP N N 15 118.508 . . . . . . . A 36 ASP N . 36112 1 175 . 1 1 37 37 GLU H H 1 8.231 . . . . . . . A 37 GLU H . 36112 1 176 . 1 1 37 37 GLU HA H 1 4.219 . . . . . . . A 37 GLU HA . 36112 1 177 . 1 1 37 37 GLU CA C 13 56.930 . . . . . . . A 37 GLU CA . 36112 1 178 . 1 1 37 37 GLU CB C 13 30.414 . . . . . . . A 37 GLU CB . 36112 1 179 . 1 1 37 37 GLU N N 15 120.244 . . . . . . . A 37 GLU N . 36112 1 180 . 1 1 38 38 ALA H H 1 8.211 . . . . . . . A 38 ALA H . 36112 1 181 . 1 1 38 38 ALA HA H 1 4.306 . . . . . . . A 38 ALA HA . 36112 1 182 . 1 1 38 38 ALA CA C 13 52.725 . . . . . . . A 38 ALA CA . 36112 1 183 . 1 1 38 38 ALA CB C 13 19.214 . . . . . . . A 38 ALA CB . 36112 1 184 . 1 1 38 38 ALA N N 15 123.584 . . . . . . . A 38 ALA N . 36112 1 185 . 1 1 39 39 THR H H 1 8.059 . . . . . . . A 39 THR H . 36112 1 186 . 1 1 39 39 THR HA H 1 4.233 . . . . . . . A 39 THR HA . 36112 1 187 . 1 1 39 39 THR CA C 13 62.475 . . . . . . . A 39 THR CA . 36112 1 188 . 1 1 39 39 THR CB C 13 69.880 . . . . . . . A 39 THR CB . 36112 1 189 . 1 1 39 39 THR N N 15 113.312 . . . . . . . A 39 THR N . 36112 1 190 . 1 1 40 40 LEU H H 1 8.114 . . . . . . . A 40 LEU H . 36112 1 191 . 1 1 40 40 LEU HA H 1 4.464 . . . . . . . A 40 LEU HA . 36112 1 192 . 1 1 40 40 LEU CA C 13 54.429 . . . . . . . A 40 LEU CA . 36112 1 193 . 1 1 40 40 LEU CB C 13 43.158 . . . . . . . A 40 LEU CB . 36112 1 194 . 1 1 40 40 LEU N N 15 122.371 . . . . . . . A 40 LEU N . 36112 1 195 . 1 1 41 41 SER H H 1 8.448 . . . . . . . A 41 SER H . 36112 1 196 . 1 1 41 41 SER HA H 1 4.235 . . . . . . . A 41 SER HA . 36112 1 197 . 1 1 41 41 SER CA C 13 56.841 . . . . . . . A 41 SER CA . 36112 1 198 . 1 1 41 41 SER CB C 13 63.082 . . . . . . . A 41 SER CB . 36112 1 199 . 1 1 41 41 SER N N 15 119.193 . . . . . . . A 41 SER N . 36112 1 200 . 1 1 43 43 GLU H H 1 8.853 . . . . . . . A 43 GLU H . 36112 1 201 . 1 1 43 43 GLU HA H 1 4.103 . . . . . . . A 43 GLU HA . 36112 1 202 . 1 1 43 43 GLU CA C 13 59.467 . . . . . . . A 43 GLU CA . 36112 1 203 . 1 1 43 43 GLU CB C 13 29.055 . . . . . . . A 43 GLU CB . 36112 1 204 . 1 1 43 43 GLU N N 15 117.417 . . . . . . . A 43 GLU N . 36112 1 205 . 1 1 44 44 MET H H 1 7.919 . . . . . . . A 44 MET H . 36112 1 206 . 1 1 44 44 MET HA H 1 4.412 . . . . . . . A 44 MET HA . 36112 1 207 . 1 1 44 44 MET CA C 13 57.510 . . . . . . . A 44 MET CA . 36112 1 208 . 1 1 44 44 MET CB C 13 32.473 . . . . . . . A 44 MET CB . 36112 1 209 . 1 1 44 44 MET N N 15 118.894 . . . . . . . A 44 MET N . 36112 1 210 . 1 1 45 45 LYS H H 1 8.329 . . . . . . . A 45 LYS H . 36112 1 211 . 1 1 45 45 LYS HA H 1 3.960 . . . . . . . A 45 LYS HA . 36112 1 212 . 1 1 45 45 LYS CA C 13 60.057 . . . . . . . A 45 LYS CA . 36112 1 213 . 1 1 45 45 LYS CB C 13 32.352 . . . . . . . A 45 LYS CB . 36112 1 214 . 1 1 45 45 LYS N N 15 120.079 . . . . . . . A 45 LYS N . 36112 1 215 . 1 1 46 46 GLU H H 1 7.995 . . . . . . . A 46 GLU H . 36112 1 216 . 1 1 46 46 GLU HA H 1 4.104 . . . . . . . A 46 GLU HA . 36112 1 217 . 1 1 46 46 GLU CA C 13 59.245 . . . . . . . A 46 GLU CA . 36112 1 218 . 1 1 46 46 GLU CB C 13 29.341 . . . . . . . A 46 GLU CB . 36112 1 219 . 1 1 46 46 GLU N N 15 118.410 . . . . . . . A 46 GLU N . 36112 1 220 . 1 1 47 47 HIS H H 1 7.804 . . . . . . . A 47 HIS H . 36112 1 221 . 1 1 47 47 HIS HA H 1 4.483 . . . . . . . A 47 HIS HA . 36112 1 222 . 1 1 47 47 HIS CA C 13 59.079 . . . . . . . A 47 HIS CA . 36112 1 223 . 1 1 47 47 HIS CB C 13 30.471 . . . . . . . A 47 HIS CB . 36112 1 224 . 1 1 47 47 HIS N N 15 117.568 . . . . . . . A 47 HIS N . 36112 1 225 . 1 1 48 48 TYR H H 1 8.499 . . . . . . . A 48 TYR H . 36112 1 226 . 1 1 48 48 TYR HA H 1 4.166 . . . . . . . A 48 TYR HA . 36112 1 227 . 1 1 48 48 TYR CA C 13 61.996 . . . . . . . A 48 TYR CA . 36112 1 228 . 1 1 48 48 TYR CB C 13 38.354 . . . . . . . A 48 TYR CB . 36112 1 229 . 1 1 48 48 TYR N N 15 119.563 . . . . . . . A 48 TYR N . 36112 1 230 . 1 1 49 49 GLU H H 1 8.513 . . . . . . . A 49 GLU H . 36112 1 231 . 1 1 49 49 GLU HA H 1 3.976 . . . . . . . A 49 GLU HA . 36112 1 232 . 1 1 49 49 GLU CA C 13 59.756 . . . . . . . A 49 GLU CA . 36112 1 233 . 1 1 49 49 GLU CB C 13 29.387 . . . . . . . A 49 GLU CB . 36112 1 234 . 1 1 49 49 GLU N N 15 118.964 . . . . . . . A 49 GLU N . 36112 1 235 . 1 1 50 50 LYS H H 1 7.921 . . . . . . . A 50 LYS H . 36112 1 236 . 1 1 50 50 LYS HA H 1 4.024 . . . . . . . A 50 LYS HA . 36112 1 237 . 1 1 50 50 LYS CA C 13 59.370 . . . . . . . A 50 LYS CA . 36112 1 238 . 1 1 50 50 LYS CB C 13 32.405 . . . . . . . A 50 LYS CB . 36112 1 239 . 1 1 50 50 LYS N N 15 118.752 . . . . . . . A 50 LYS N . 36112 1 240 . 1 1 51 51 PHE H H 1 8.158 . . . . . . . A 51 PHE H . 36112 1 241 . 1 1 51 51 PHE HA H 1 4.316 . . . . . . . A 51 PHE HA . 36112 1 242 . 1 1 51 51 PHE CA C 13 60.719 . . . . . . . A 51 PHE CA . 36112 1 243 . 1 1 51 51 PHE CB C 13 39.117 . . . . . . . A 51 PHE CB . 36112 1 244 . 1 1 51 51 PHE N N 15 120.508 . . . . . . . A 51 PHE N . 36112 1 245 . 1 1 52 52 GLU H H 1 8.649 . . . . . . . A 52 GLU H . 36112 1 246 . 1 1 52 52 GLU HA H 1 3.583 . . . . . . . A 52 GLU HA . 36112 1 247 . 1 1 52 52 GLU CA C 13 60.163 . . . . . . . A 52 GLU CA . 36112 1 248 . 1 1 52 52 GLU CB C 13 29.414 . . . . . . . A 52 GLU CB . 36112 1 249 . 1 1 52 52 GLU N N 15 119.731 . . . . . . . A 52 GLU N . 36112 1 250 . 1 1 53 53 LYS H H 1 7.869 . . . . . . . A 53 LYS H . 36112 1 251 . 1 1 53 53 LYS HA H 1 4.023 . . . . . . . A 53 LYS HA . 36112 1 252 . 1 1 53 53 LYS CA C 13 59.084 . . . . . . . A 53 LYS CA . 36112 1 253 . 1 1 53 53 LYS CB C 13 32.214 . . . . . . . A 53 LYS CB . 36112 1 254 . 1 1 53 53 LYS N N 15 117.814 . . . . . . . A 53 LYS N . 36112 1 255 . 1 1 54 54 MET H H 1 7.853 . . . . . . . A 54 MET H . 36112 1 256 . 1 1 54 54 MET HA H 1 4.252 . . . . . . . A 54 MET HA . 36112 1 257 . 1 1 54 54 MET CA C 13 59.011 . . . . . . . A 54 MET CA . 36112 1 258 . 1 1 54 54 MET CB C 13 33.008 . . . . . . . A 54 MET CB . 36112 1 259 . 1 1 54 54 MET N N 15 118.908 . . . . . . . A 54 MET N . 36112 1 260 . 1 1 55 55 ILE H H 1 8.085 . . . . . . . A 55 ILE H . 36112 1 261 . 1 1 55 55 ILE HA H 1 3.706 . . . . . . . A 55 ILE HA . 36112 1 262 . 1 1 55 55 ILE CA C 13 64.110 . . . . . . . A 55 ILE CA . 36112 1 263 . 1 1 55 55 ILE CB C 13 37.334 . . . . . . . A 55 ILE CB . 36112 1 264 . 1 1 55 55 ILE N N 15 117.927 . . . . . . . A 55 ILE N . 36112 1 265 . 1 1 56 56 GLN H H 1 8.087 . . . . . . . A 56 GLN H . 36112 1 266 . 1 1 56 56 GLN HA H 1 4.027 . . . . . . . A 56 GLN HA . 36112 1 267 . 1 1 56 56 GLN CA C 13 58.886 . . . . . . . A 56 GLN CA . 36112 1 268 . 1 1 56 56 GLN CB C 13 28.525 . . . . . . . A 56 GLN CB . 36112 1 269 . 1 1 56 56 GLN N N 15 119.951 . . . . . . . A 56 GLN N . 36112 1 270 . 1 1 57 57 GLU H H 1 8.081 . . . . . . . A 57 GLU H . 36112 1 271 . 1 1 57 57 GLU HA H 1 4.217 . . . . . . . A 57 GLU HA . 36112 1 272 . 1 1 57 57 GLU CA C 13 58.434 . . . . . . . A 57 GLU CA . 36112 1 273 . 1 1 57 57 GLU CB C 13 29.741 . . . . . . . A 57 GLU CB . 36112 1 274 . 1 1 57 57 GLU N N 15 117.397 . . . . . . . A 57 GLU N . 36112 1 275 . 1 1 58 58 HIS H H 1 7.920 . . . . . . . A 58 HIS H . 36112 1 276 . 1 1 58 58 HIS HA H 1 4.683 . . . . . . . A 58 HIS HA . 36112 1 277 . 1 1 58 58 HIS CA C 13 57.607 . . . . . . . A 58 HIS CA . 36112 1 278 . 1 1 58 58 HIS CB C 13 31.092 . . . . . . . A 58 HIS CB . 36112 1 279 . 1 1 58 58 HIS N N 15 115.943 . . . . . . . A 58 HIS N . 36112 1 280 . 1 1 59 59 THR H H 1 8.019 . . . . . . . A 59 THR H . 36112 1 281 . 1 1 59 59 THR HA H 1 4.265 . . . . . . . A 59 THR HA . 36112 1 282 . 1 1 59 59 THR CA C 13 65.776 . . . . . . . A 59 THR CA . 36112 1 283 . 1 1 59 59 THR CB C 13 68.938 . . . . . . . A 59 THR CB . 36112 1 284 . 1 1 59 59 THR N N 15 114.152 . . . . . . . A 59 THR N . 36112 1 285 . 1 1 60 60 ASP H H 1 8.509 . . . . . . . A 60 ASP H . 36112 1 286 . 1 1 60 60 ASP HA H 1 4.496 . . . . . . . A 60 ASP HA . 36112 1 287 . 1 1 60 60 ASP CA C 13 56.963 . . . . . . . A 60 ASP CA . 36112 1 288 . 1 1 60 60 ASP CB C 13 40.783 . . . . . . . A 60 ASP CB . 36112 1 289 . 1 1 60 60 ASP N N 15 121.204 . . . . . . . A 60 ASP N . 36112 1 290 . 1 1 61 61 LYS H H 1 7.985 . . . . . . . A 61 LYS H . 36112 1 291 . 1 1 61 61 LYS HA H 1 4.104 . . . . . . . A 61 LYS HA . 36112 1 292 . 1 1 61 61 LYS CA C 13 58.361 . . . . . . . A 61 LYS CA . 36112 1 293 . 1 1 61 61 LYS CB C 13 32.400 . . . . . . . A 61 LYS CB . 36112 1 294 . 1 1 61 61 LYS N N 15 118.570 . . . . . . . A 61 LYS N . 36112 1 295 . 1 1 62 62 PHE H H 1 8.143 . . . . . . . A 62 PHE H . 36112 1 296 . 1 1 62 62 PHE HA H 1 4.335 . . . . . . . A 62 PHE HA . 36112 1 297 . 1 1 62 62 PHE CA C 13 59.935 . . . . . . . A 62 PHE CA . 36112 1 298 . 1 1 62 62 PHE CB C 13 39.317 . . . . . . . A 62 PHE CB . 36112 1 299 . 1 1 62 62 PHE N N 15 118.785 . . . . . . . A 62 PHE N . 36112 1 300 . 1 1 63 63 ASN H H 1 8.443 . . . . . . . A 63 ASN H . 36112 1 301 . 1 1 63 63 ASN HA H 1 4.358 . . . . . . . A 63 ASN HA . 36112 1 302 . 1 1 63 63 ASN CA C 13 55.746 . . . . . . . A 63 ASN CA . 36112 1 303 . 1 1 63 63 ASN CB C 13 38.814 . . . . . . . A 63 ASN CB . 36112 1 304 . 1 1 63 63 ASN N N 15 118.722 . . . . . . . A 63 ASN N . 36112 1 305 . 1 1 64 64 LYS H H 1 8.204 . . . . . . . A 64 LYS H . 36112 1 306 . 1 1 64 64 LYS HA H 1 4.001 . . . . . . . A 64 LYS HA . 36112 1 307 . 1 1 64 64 LYS CA C 13 59.475 . . . . . . . A 64 LYS CA . 36112 1 308 . 1 1 64 64 LYS CB C 13 32.582 . . . . . . . A 64 LYS CB . 36112 1 309 . 1 1 64 64 LYS N N 15 119.324 . . . . . . . A 64 LYS N . 36112 1 310 . 1 1 65 65 LYS H H 1 8.052 . . . . . . . A 65 LYS H . 36112 1 311 . 1 1 65 65 LYS HA H 1 4.216 . . . . . . . A 65 LYS HA . 36112 1 312 . 1 1 65 65 LYS CA C 13 57.894 . . . . . . . A 65 LYS CA . 36112 1 313 . 1 1 65 65 LYS CB C 13 32.164 . . . . . . . A 65 LYS CB . 36112 1 314 . 1 1 65 65 LYS N N 15 118.710 . . . . . . . A 65 LYS N . 36112 1 315 . 1 1 66 66 MET H H 1 8.346 . . . . . . . A 66 MET H . 36112 1 316 . 1 1 66 66 MET HA H 1 4.176 . . . . . . . A 66 MET HA . 36112 1 317 . 1 1 66 66 MET CA C 13 58.261 . . . . . . . A 66 MET CA . 36112 1 318 . 1 1 66 66 MET CB C 13 32.155 . . . . . . . A 66 MET CB . 36112 1 319 . 1 1 66 66 MET N N 15 118.027 . . . . . . . A 66 MET N . 36112 1 320 . 1 1 67 67 ARG H H 1 8.071 . . . . . . . A 67 ARG H . 36112 1 321 . 1 1 67 67 ARG HA H 1 4.028 . . . . . . . A 67 ARG HA . 36112 1 322 . 1 1 67 67 ARG CA C 13 59.076 . . . . . . . A 67 ARG CA . 36112 1 323 . 1 1 67 67 ARG CB C 13 29.638 . . . . . . . A 67 ARG CB . 36112 1 324 . 1 1 67 67 ARG N N 15 118.577 . . . . . . . A 67 ARG N . 36112 1 325 . 1 1 68 68 GLU H H 1 8.090 . . . . . . . A 68 GLU H . 36112 1 326 . 1 1 68 68 GLU HA H 1 4.057 . . . . . . . A 68 GLU HA . 36112 1 327 . 1 1 68 68 GLU CA C 13 58.620 . . . . . . . A 68 GLU CA . 36112 1 328 . 1 1 68 68 GLU CB C 13 29.761 . . . . . . . A 68 GLU CB . 36112 1 329 . 1 1 68 68 GLU N N 15 118.790 . . . . . . . A 68 GLU N . 36112 1 330 . 1 1 69 69 HIS H H 1 7.988 . . . . . . . A 69 HIS H . 36112 1 331 . 1 1 69 69 HIS HA H 1 4.610 . . . . . . . A 69 HIS HA . 36112 1 332 . 1 1 69 69 HIS CA C 13 57.494 . . . . . . . A 69 HIS CA . 36112 1 333 . 1 1 69 69 HIS CB C 13 30.947 . . . . . . . A 69 HIS CB . 36112 1 334 . 1 1 69 69 HIS N N 15 116.286 . . . . . . . A 69 HIS N . 36112 1 335 . 1 1 70 70 SER H H 1 8.199 . . . . . . . A 70 SER H . 36112 1 336 . 1 1 70 70 SER HA H 1 4.092 . . . . . . . A 70 SER HA . 36112 1 337 . 1 1 70 70 SER CA C 13 58.611 . . . . . . . A 70 SER CA . 36112 1 338 . 1 1 70 70 SER CB C 13 63.088 . . . . . . . A 70 SER CB . 36112 1 339 . 1 1 70 70 SER N N 15 116.041 . . . . . . . A 70 SER N . 36112 1 340 . 1 1 71 71 GLU H H 1 8.463 . . . . . . . A 71 GLU H . 36112 1 341 . 1 1 71 71 GLU HA H 1 4.273 . . . . . . . A 71 GLU HA . 36112 1 342 . 1 1 71 71 GLU CA C 13 59.550 . . . . . . . A 71 GLU CA . 36112 1 343 . 1 1 71 71 GLU CB C 13 29.136 . . . . . . . A 71 GLU CB . 36112 1 344 . 1 1 71 71 GLU N N 15 120.952 . . . . . . . A 71 GLU N . 36112 1 345 . 1 1 72 72 HIS H H 1 8.044 . . . . . . . A 72 HIS H . 36112 1 346 . 1 1 72 72 HIS HA H 1 4.528 . . . . . . . A 72 HIS HA . 36112 1 347 . 1 1 72 72 HIS CA C 13 58.555 . . . . . . . A 72 HIS CA . 36112 1 348 . 1 1 72 72 HIS CB C 13 30.251 . . . . . . . A 72 HIS CB . 36112 1 349 . 1 1 72 72 HIS N N 15 119.263 . . . . . . . A 72 HIS N . 36112 1 350 . 1 1 73 73 PHE H H 1 8.369 . . . . . . . A 73 PHE H . 36112 1 351 . 1 1 73 73 PHE HA H 1 4.196 . . . . . . . A 73 PHE HA . 36112 1 352 . 1 1 73 73 PHE CA C 13 61.317 . . . . . . . A 73 PHE CA . 36112 1 353 . 1 1 73 73 PHE CB C 13 38.974 . . . . . . . A 73 PHE CB . 36112 1 354 . 1 1 73 73 PHE N N 15 118.328 . . . . . . . A 73 PHE N . 36112 1 355 . 1 1 74 74 LYS H H 1 8.543 . . . . . . . A 74 LYS H . 36112 1 356 . 1 1 74 74 LYS HA H 1 3.878 . . . . . . . A 74 LYS HA . 36112 1 357 . 1 1 74 74 LYS CA C 13 60.914 . . . . . . . A 74 LYS CA . 36112 1 358 . 1 1 74 74 LYS CB C 13 32.337 . . . . . . . A 74 LYS CB . 36112 1 359 . 1 1 74 74 LYS N N 15 119.056 . . . . . . . A 74 LYS N . 36112 1 360 . 1 1 75 75 ALA H H 1 7.942 . . . . . . . A 75 ALA H . 36112 1 361 . 1 1 75 75 ALA HA H 1 4.202 . . . . . . . A 75 ALA HA . 36112 1 362 . 1 1 75 75 ALA CA C 13 54.999 . . . . . . . A 75 ALA CA . 36112 1 363 . 1 1 75 75 ALA CB C 13 18.106 . . . . . . . A 75 ALA CB . 36112 1 364 . 1 1 75 75 ALA N N 15 120.578 . . . . . . . A 75 ALA N . 36112 1 365 . 1 1 76 76 LYS H H 1 8.043 . . . . . . . A 76 LYS H . 36112 1 366 . 1 1 76 76 LYS HA H 1 4.147 . . . . . . . A 76 LYS HA . 36112 1 367 . 1 1 76 76 LYS CA C 13 57.416 . . . . . . . A 76 LYS CA . 36112 1 368 . 1 1 76 76 LYS CB C 13 31.466 . . . . . . . A 76 LYS CB . 36112 1 369 . 1 1 76 76 LYS N N 15 118.218 . . . . . . . A 76 LYS N . 36112 1 370 . 1 1 77 77 PHE H H 1 8.558 . . . . . . . A 77 PHE H . 36112 1 371 . 1 1 77 77 PHE HA H 1 4.169 . . . . . . . A 77 PHE HA . 36112 1 372 . 1 1 77 77 PHE CA C 13 61.099 . . . . . . . A 77 PHE CA . 36112 1 373 . 1 1 77 77 PHE CB C 13 39.023 . . . . . . . A 77 PHE CB . 36112 1 374 . 1 1 77 77 PHE N N 15 119.589 . . . . . . . A 77 PHE N . 36112 1 375 . 1 1 78 78 ALA H H 1 8.193 . . . . . . . A 78 ALA H . 36112 1 376 . 1 1 78 78 ALA HA H 1 3.937 . . . . . . . A 78 ALA HA . 36112 1 377 . 1 1 78 78 ALA CA C 13 55.502 . . . . . . . A 78 ALA CA . 36112 1 378 . 1 1 78 78 ALA CB C 13 18.046 . . . . . . . A 78 ALA CB . 36112 1 379 . 1 1 78 78 ALA N N 15 120.049 . . . . . . . A 78 ALA N . 36112 1 380 . 1 1 79 79 GLU H H 1 7.886 . . . . . . . A 79 GLU H . 36112 1 381 . 1 1 79 79 GLU HA H 1 4.056 . . . . . . . A 79 GLU HA . 36112 1 382 . 1 1 79 79 GLU CA C 13 59.042 . . . . . . . A 79 GLU CA . 36112 1 383 . 1 1 79 79 GLU CB C 13 29.893 . . . . . . . A 79 GLU CB . 36112 1 384 . 1 1 79 79 GLU N N 15 117.933 . . . . . . . A 79 GLU N . 36112 1 385 . 1 1 80 80 LEU H H 1 7.978 . . . . . . . A 80 LEU H . 36112 1 386 . 1 1 80 80 LEU HA H 1 4.058 . . . . . . . A 80 LEU HA . 36112 1 387 . 1 1 80 80 LEU CA C 13 57.666 . . . . . . . A 80 LEU CA . 36112 1 388 . 1 1 80 80 LEU CB C 13 41.907 . . . . . . . A 80 LEU CB . 36112 1 389 . 1 1 80 80 LEU N N 15 120.177 . . . . . . . A 80 LEU N . 36112 1 390 . 1 1 81 81 LEU H H 1 7.997 . . . . . . . A 81 LEU H . 36112 1 391 . 1 1 81 81 LEU HA H 1 3.946 . . . . . . . A 81 LEU HA . 36112 1 392 . 1 1 81 81 LEU CA C 13 57.299 . . . . . . . A 81 LEU CA . 36112 1 393 . 1 1 81 81 LEU CB C 13 41.732 . . . . . . . A 81 LEU CB . 36112 1 394 . 1 1 81 81 LEU N N 15 118.294 . . . . . . . A 81 LEU N . 36112 1 395 . 1 1 82 82 GLU H H 1 7.898 . . . . . . . A 82 GLU H . 36112 1 396 . 1 1 82 82 GLU HA H 1 4.044 . . . . . . . A 82 GLU HA . 36112 1 397 . 1 1 82 82 GLU CA C 13 58.549 . . . . . . . A 82 GLU CA . 36112 1 398 . 1 1 82 82 GLU CB C 13 29.526 . . . . . . . A 82 GLU CB . 36112 1 399 . 1 1 82 82 GLU N N 15 119.098 . . . . . . . A 82 GLU N . 36112 1 400 . 1 1 83 83 GLN H H 1 8.083 . . . . . . . A 83 GLN H . 36112 1 401 . 1 1 83 83 GLN HA H 1 4.129 . . . . . . . A 83 GLN HA . 36112 1 402 . 1 1 83 83 GLN CA C 13 57.630 . . . . . . . A 83 GLN CA . 36112 1 403 . 1 1 83 83 GLN CB C 13 28.731 . . . . . . . A 83 GLN CB . 36112 1 404 . 1 1 83 83 GLN N N 15 118.203 . . . . . . . A 83 GLN N . 36112 1 405 . 1 1 84 84 GLN H H 1 8.138 . . . . . . . A 84 GLN H . 36112 1 406 . 1 1 84 84 GLN HA H 1 4.144 . . . . . . . A 84 GLN HA . 36112 1 407 . 1 1 84 84 GLN CA C 13 56.911 . . . . . . . A 84 GLN CA . 36112 1 408 . 1 1 84 84 GLN CB C 13 28.560 . . . . . . . A 84 GLN CB . 36112 1 409 . 1 1 84 84 GLN N N 15 118.520 . . . . . . . A 84 GLN N . 36112 1 410 . 1 1 85 85 LYS H H 1 8.084 . . . . . . . A 85 LYS H . 36112 1 411 . 1 1 85 85 LYS HA H 1 4.118 . . . . . . . A 85 LYS HA . 36112 1 412 . 1 1 85 85 LYS CA C 13 58.015 . . . . . . . A 85 LYS CA . 36112 1 413 . 1 1 85 85 LYS CB C 13 32.568 . . . . . . . A 85 LYS CB . 36112 1 414 . 1 1 85 85 LYS N N 15 120.172 . . . . . . . A 85 LYS N . 36112 1 415 . 1 1 86 86 ASN H H 1 8.135 . . . . . . . A 86 ASN H . 36112 1 416 . 1 1 86 86 ASN HA H 1 4.611 . . . . . . . A 86 ASN HA . 36112 1 417 . 1 1 86 86 ASN CA C 13 53.706 . . . . . . . A 86 ASN CA . 36112 1 418 . 1 1 86 86 ASN CB C 13 38.916 . . . . . . . A 86 ASN CB . 36112 1 419 . 1 1 86 86 ASN N N 15 117.466 . . . . . . . A 86 ASN N . 36112 1 420 . 1 1 87 87 ALA H H 1 7.948 . . . . . . . A 87 ALA H . 36112 1 421 . 1 1 87 87 ALA HA H 1 4.219 . . . . . . . A 87 ALA HA . 36112 1 422 . 1 1 87 87 ALA CA C 13 52.932 . . . . . . . A 87 ALA CA . 36112 1 423 . 1 1 87 87 ALA CB C 13 19.155 . . . . . . . A 87 ALA CB . 36112 1 424 . 1 1 87 87 ALA N N 15 123.063 . . . . . . . A 87 ALA N . 36112 1 425 . 1 1 88 88 GLN H H 1 8.187 . . . . . . . A 88 GLN H . 36112 1 426 . 1 1 88 88 GLN HA H 1 4.276 . . . . . . . A 88 GLN HA . 36112 1 427 . 1 1 88 88 GLN CA C 13 55.738 . . . . . . . A 88 GLN CA . 36112 1 428 . 1 1 88 88 GLN CB C 13 29.498 . . . . . . . A 88 GLN CB . 36112 1 429 . 1 1 88 88 GLN N N 15 118.133 . . . . . . . A 88 GLN N . 36112 1 430 . 1 1 89 89 PHE H H 1 8.174 . . . . . . . A 89 PHE H . 36112 1 431 . 1 1 89 89 PHE HA H 1 4.861 . . . . . . . A 89 PHE HA . 36112 1 432 . 1 1 89 89 PHE CA C 13 55.452 . . . . . . . A 89 PHE CA . 36112 1 433 . 1 1 89 89 PHE CB C 13 39.203 . . . . . . . A 89 PHE CB . 36112 1 434 . 1 1 89 89 PHE N N 15 121.116 . . . . . . . A 89 PHE N . 36112 1 435 . 1 1 91 91 GLY H H 1 8.190 . . . . . . . A 91 GLY H . 36112 1 436 . 1 1 91 91 GLY HA2 H 1 3.901 . . . . . . . A 91 GLY HA2 . 36112 1 437 . 1 1 91 91 GLY HA3 H 1 3.901 . . . . . . . A 91 GLY HA3 . 36112 1 438 . 1 1 91 91 GLY CA C 13 45.373 . . . . . . . A 91 GLY CA . 36112 1 439 . 1 1 91 91 GLY N N 15 109.133 . . . . . . . A 91 GLY N . 36112 1 440 . 1 1 92 92 LYS H H 1 7.764 . . . . . . . A 92 LYS H . 36112 1 441 . 1 1 92 92 LYS HA H 1 4.147 . . . . . . . A 92 LYS HA . 36112 1 442 . 1 1 92 92 LYS CA C 13 57.536 . . . . . . . A 92 LYS CA . 36112 1 443 . 1 1 92 92 LYS CB C 13 33.689 . . . . . . . A 92 LYS CB . 36112 1 444 . 1 1 92 92 LYS N N 15 125.689 . . . . . . . A 92 LYS N . 36112 1 stop_ save_