data_17994 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17994 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease Bmut5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-11 _Entry.Accession_date 2011-10-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Xi Huang . . . 17994 2 Gail Fanucci . . . 17994 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Florida' . 17994 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17994 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 177 17994 '15N chemical shifts' 88 17994 '1H chemical shifts' 88 17994 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-04 2011-10-11 update author 'update system name' 17994 1 . . 2012-06-05 2011-10-11 original author 'original release' 17994 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17964 'inactive HIV-1 protease CRF01_AE' 17994 BMRB 17996 'HIV-1 Protease subtype C' 17994 stop_ save_ ############### # Citations # ############### save_Backbone_1H_13C_and_15N_Chemical_Shift_Assignment_for_HIV-1_protease_Variants _Citation.Sf_category citations _Citation.Sf_framecode Backbone_1H_13C_and_15N_Chemical_Shift_Assignment_for_HIV-1_protease_Variants _Citation.Entry_ID 17994 _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 'Backbone 1H, 13C, and 15N Chemical Shift Assignment for HIV-1 protease Variants' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _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.Entry_ID _Citation_author.Citation_ID 1 Xi Huang . . . 17994 1 2 Gail Fanucci . . . 17994 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17994 _Assembly.ID 1 _Assembly.Name 'HIV-1 PR Homodimer' _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 'HIV-1 Protease Bmut5, chain 1' 1 $HIV-1_PR_Homodimer_Bmut5 A . yes native no no . . . 17994 1 2 'HIV-1 Protease Bmut5, chain 2' 1 $HIV-1_PR_Homodimer_Bmut5 B . yes native no no . . . 17994 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-1_PR_Homodimer_Bmut5 _Entity.Sf_category entity _Entity.Sf_framecode HIV-1_PR_Homodimer_Bmut5 _Entity.Entry_ID 17994 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIV-1_PR_Homodimer_Bmut5 _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 ; PQITLWKRPLVTIKVGGQLK EALLNTGADDTVIEDMNLPG KWKPKMIGGIGGFIKVKQYD QIIIEIAGHKAIGTVLVGPT PVNIIGRNLLTQIGATLNF ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21115.04 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 19072 . HIV-1_PR_Homodimer_Bmut5 . . . . . 100.00 99 100.00 100.00 1.16e-61 . . . . 17994 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 . PRO . 17994 1 2 . GLN . 17994 1 3 . ILE . 17994 1 4 . THR . 17994 1 5 . LEU . 17994 1 6 . TRP . 17994 1 7 . LYS . 17994 1 8 . ARG . 17994 1 9 . PRO . 17994 1 10 . LEU . 17994 1 11 . VAL . 17994 1 12 . THR . 17994 1 13 . ILE . 17994 1 14 . LYS . 17994 1 15 . VAL . 17994 1 16 . GLY . 17994 1 17 . GLY . 17994 1 18 . GLN . 17994 1 19 . LEU . 17994 1 20 . LYS . 17994 1 21 . GLU . 17994 1 22 . ALA . 17994 1 23 . LEU . 17994 1 24 . LEU . 17994 1 25 . ASN . 17994 1 26 . THR . 17994 1 27 . GLY . 17994 1 28 . ALA . 17994 1 29 . ASP . 17994 1 30 . ASP . 17994 1 31 . THR . 17994 1 32 . VAL . 17994 1 33 . ILE . 17994 1 34 . GLU . 17994 1 35 . ASP . 17994 1 36 . MET . 17994 1 37 . ASN . 17994 1 38 . LEU . 17994 1 39 . PRO . 17994 1 40 . GLY . 17994 1 41 . LYS . 17994 1 42 . TRP . 17994 1 43 . LYS . 17994 1 44 . PRO . 17994 1 45 . LYS . 17994 1 46 . MET . 17994 1 47 . ILE . 17994 1 48 . GLY . 17994 1 49 . GLY . 17994 1 50 . ILE . 17994 1 51 . GLY . 17994 1 52 . GLY . 17994 1 53 . PHE . 17994 1 54 . ILE . 17994 1 55 . LYS . 17994 1 56 . VAL . 17994 1 57 . LYS . 17994 1 58 . GLN . 17994 1 59 . TYR . 17994 1 60 . ASP . 17994 1 61 . GLN . 17994 1 62 . ILE . 17994 1 63 . ILE . 17994 1 64 . ILE . 17994 1 65 . GLU . 17994 1 66 . ILE . 17994 1 67 . ALA . 17994 1 68 . GLY . 17994 1 69 . HIS . 17994 1 70 . LYS . 17994 1 71 . ALA . 17994 1 72 . ILE . 17994 1 73 . GLY . 17994 1 74 . THR . 17994 1 75 . VAL . 17994 1 76 . LEU . 17994 1 77 . VAL . 17994 1 78 . GLY . 17994 1 79 . PRO . 17994 1 80 . THR . 17994 1 81 . PRO . 17994 1 82 . VAL . 17994 1 83 . ASN . 17994 1 84 . ILE . 17994 1 85 . ILE . 17994 1 86 . GLY . 17994 1 87 . ARG . 17994 1 88 . ASN . 17994 1 89 . LEU . 17994 1 90 . LEU . 17994 1 91 . THR . 17994 1 92 . GLN . 17994 1 93 . ILE . 17994 1 94 . GLY . 17994 1 95 . ALA . 17994 1 96 . THR . 17994 1 97 . LEU . 17994 1 98 . ASN . 17994 1 99 . PHE . 17994 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 . PRO 1 1 17994 1 . GLN 2 2 17994 1 . ILE 3 3 17994 1 . THR 4 4 17994 1 . LEU 5 5 17994 1 . TRP 6 6 17994 1 . LYS 7 7 17994 1 . ARG 8 8 17994 1 . PRO 9 9 17994 1 . LEU 10 10 17994 1 . VAL 11 11 17994 1 . THR 12 12 17994 1 . ILE 13 13 17994 1 . LYS 14 14 17994 1 . VAL 15 15 17994 1 . GLY 16 16 17994 1 . GLY 17 17 17994 1 . GLN 18 18 17994 1 . LEU 19 19 17994 1 . LYS 20 20 17994 1 . GLU 21 21 17994 1 . ALA 22 22 17994 1 . LEU 23 23 17994 1 . LEU 24 24 17994 1 . ASN 25 25 17994 1 . THR 26 26 17994 1 . GLY 27 27 17994 1 . ALA 28 28 17994 1 . ASP 29 29 17994 1 . ASP 30 30 17994 1 . THR 31 31 17994 1 . VAL 32 32 17994 1 . ILE 33 33 17994 1 . GLU 34 34 17994 1 . ASP 35 35 17994 1 . MET 36 36 17994 1 . ASN 37 37 17994 1 . LEU 38 38 17994 1 . PRO 39 39 17994 1 . GLY 40 40 17994 1 . LYS 41 41 17994 1 . TRP 42 42 17994 1 . LYS 43 43 17994 1 . PRO 44 44 17994 1 . LYS 45 45 17994 1 . MET 46 46 17994 1 . ILE 47 47 17994 1 . GLY 48 48 17994 1 . GLY 49 49 17994 1 . ILE 50 50 17994 1 . GLY 51 51 17994 1 . GLY 52 52 17994 1 . PHE 53 53 17994 1 . ILE 54 54 17994 1 . LYS 55 55 17994 1 . VAL 56 56 17994 1 . LYS 57 57 17994 1 . GLN 58 58 17994 1 . TYR 59 59 17994 1 . ASP 60 60 17994 1 . GLN 61 61 17994 1 . ILE 62 62 17994 1 . ILE 63 63 17994 1 . ILE 64 64 17994 1 . GLU 65 65 17994 1 . ILE 66 66 17994 1 . ALA 67 67 17994 1 . GLY 68 68 17994 1 . HIS 69 69 17994 1 . LYS 70 70 17994 1 . ALA 71 71 17994 1 . ILE 72 72 17994 1 . GLY 73 73 17994 1 . THR 74 74 17994 1 . VAL 75 75 17994 1 . LEU 76 76 17994 1 . VAL 77 77 17994 1 . GLY 78 78 17994 1 . PRO 79 79 17994 1 . THR 80 80 17994 1 . PRO 81 81 17994 1 . VAL 82 82 17994 1 . ASN 83 83 17994 1 . ILE 84 84 17994 1 . ILE 85 85 17994 1 . GLY 86 86 17994 1 . ARG 87 87 17994 1 . ASN 88 88 17994 1 . LEU 89 89 17994 1 . LEU 90 90 17994 1 . THR 91 91 17994 1 . GLN 92 92 17994 1 . ILE 93 93 17994 1 . GLY 94 94 17994 1 . ALA 95 95 17994 1 . THR 96 96 17994 1 . LEU 97 97 17994 1 . ASN 98 98 17994 1 . PHE 99 99 17994 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 17994 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HIV-1_PR_Homodimer_Bmut5 . 11676 organism . HIV-1 HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . . . . . . . . . 17994 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 17994 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HIV-1_PR_Homodimer_Bmut5 . 'chemical synthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 17994 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17994 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'HIV-1 PR Homodimer Bmut5' '[U-100% 13C; U-100% 15N]' . . 1 $HIV-1_PR_Homodimer_Bmut5 . . 0.1 . . mM . . . . 17994 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 17994 _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' 2 . mM 17994 1 pH 5.0 . pH 17994 1 pressure 1 . atm 17994 1 temperature 293 . K 17994 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17994 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17994 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17994 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17994 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17994 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17994 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17994 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17994 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17994 3 processing 17994 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 17994 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17994 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17994 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 17994 _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 HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17994 1 2 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17994 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17994 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17994 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17994 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17994 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 17994 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 17994 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 17994 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 17994 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 17994 1 2 '3D HN(CO)CA' . . . 17994 1 3 '3D HNCACB' . . . 17994 1 4 '3D CBCA(CO)NH' . . . 17994 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.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 PRO CA C 13 62.207 0.2 . 1 . . . . 1 PRO CA . 17994 1 2 . 1 1 1 1 PRO CB C 13 33.39 0.2 . 1 . . . . 1 PRO CB . 17994 1 3 . 1 1 2 2 GLN H H 1 8.574 0.01 . 1 . . . . 2 GLN H . 17994 1 4 . 1 1 2 2 GLN CA C 13 55.553 0.2 . 1 . . . . 2 GLN CA . 17994 1 5 . 1 1 2 2 GLN CB C 13 30.869 0.2 . 1 . . . . 2 GLN CB . 17994 1 6 . 1 1 2 2 GLN N N 15 120.399 0.2 . 1 . . . . 2 GLN N . 17994 1 7 . 1 1 3 3 ILE H H 1 9.48 0.01 . 1 . . . . 3 ILE H . 17994 1 8 . 1 1 3 3 ILE CA C 13 60.697 0.2 . 1 . . . . 3 ILE CA . 17994 1 9 . 1 1 3 3 ILE CB C 13 39.263 0.2 . 1 . . . . 3 ILE CB . 17994 1 10 . 1 1 3 3 ILE N N 15 128.503 0.2 . 1 . . . . 3 ILE N . 17994 1 11 . 1 1 4 4 THR H H 1 8.419 0.01 . 1 . . . . 4 THR H . 17994 1 12 . 1 1 4 4 THR CA C 13 60.838 0.2 . 1 . . . . 4 THR CA . 17994 1 13 . 1 1 4 4 THR CB C 13 70.463 0.2 . 1 . . . . 4 THR CB . 17994 1 14 . 1 1 4 4 THR N N 15 116.276 0.2 . 1 . . . . 4 THR N . 17994 1 15 . 1 1 6 6 TRP H H 1 7.34 0.01 . 1 . . . . 6 TRP H . 17994 1 16 . 1 1 6 6 TRP CA C 13 59.01 0.2 . 1 . . . . 6 TRP CA . 17994 1 17 . 1 1 6 6 TRP CB C 13 29.03 0.2 . 1 . . . . 6 TRP CB . 17994 1 18 . 1 1 6 6 TRP N N 15 120.8 0.2 . 1 . . . . 6 TRP N . 17994 1 19 . 1 1 7 7 LYS H H 1 7.536 0.01 . 1 . . . . 7 LYS H . 17994 1 20 . 1 1 7 7 LYS CA C 13 53.55 0.2 . 1 . . . . 7 LYS CA . 17994 1 21 . 1 1 7 7 LYS CB C 13 35.12 0.2 . 1 . . . . 7 LYS CB . 17994 1 22 . 1 1 7 7 LYS N N 15 115.4 0.2 . 1 . . . . 7 LYS N . 17994 1 23 . 1 1 9 9 PRO CA C 13 62.021 0.2 . 1 . . . . 9 PRO CA . 17994 1 24 . 1 1 9 9 PRO CB C 13 28.445 0.2 . 1 . . . . 9 PRO CB . 17994 1 25 . 1 1 10 10 LEU H H 1 7.832 0.01 . 1 . . . . 10 LEU H . 17994 1 26 . 1 1 10 10 LEU CA C 13 53.767 0.2 . 1 . . . . 10 LEU CA . 17994 1 27 . 1 1 10 10 LEU CB C 13 43.582 0.2 . 1 . . . . 10 LEU CB . 17994 1 28 . 1 1 10 10 LEU N N 15 127.82 0.2 . 1 . . . . 10 LEU N . 17994 1 29 . 1 1 11 11 VAL H H 1 9.202 0.01 . 1 . . . . 11 VAL H . 17994 1 30 . 1 1 11 11 VAL CA C 13 58.834 0.2 . 1 . . . . 11 VAL CA . 17994 1 31 . 1 1 11 11 VAL CB C 13 35.899 0.2 . 1 . . . . 11 VAL CB . 17994 1 32 . 1 1 11 11 VAL N N 15 116.079 0.2 . 1 . . . . 11 VAL N . 17994 1 33 . 1 1 12 12 THR H H 1 8.552 0.01 . 1 . . . . 12 THR H . 17994 1 34 . 1 1 12 12 THR CA C 13 63.049 0.2 . 1 . . . . 12 THR CA . 17994 1 35 . 1 1 12 12 THR CB C 13 69.579 0.2 . 1 . . . . 12 THR CB . 17994 1 36 . 1 1 12 12 THR N N 15 117.448 0.2 . 1 . . . . 12 THR N . 17994 1 37 . 1 1 13 13 ILE H H 1 9.371 0.01 . 1 . . . . 13 ILE H . 17994 1 38 . 1 1 13 13 ILE CA C 13 58.291 0.2 . 1 . . . . 13 ILE CA . 17994 1 39 . 1 1 13 13 ILE CB C 13 41.251 0.2 . 1 . . . . 13 ILE CB . 17994 1 40 . 1 1 13 13 ILE N N 15 120.869 0.2 . 1 . . . . 13 ILE N . 17994 1 41 . 1 1 14 14 LYS H H 1 8.612 0.01 . 1 . . . . 14 LYS H . 17994 1 42 . 1 1 14 14 LYS CA C 13 54.794 0.2 . 1 . . . . 14 LYS CA . 17994 1 43 . 1 1 14 14 LYS CB C 13 35.518 0.2 . 1 . . . . 14 LYS CB . 17994 1 44 . 1 1 14 14 LYS N N 15 120.996 0.2 . 1 . . . . 14 LYS N . 17994 1 45 . 1 1 15 15 VAL H H 1 8.96 0.01 . 1 . . . . 15 VAL H . 17994 1 46 . 1 1 15 15 VAL CA C 13 60.108 0.2 . 1 . . . . 15 VAL CA . 17994 1 47 . 1 1 15 15 VAL CB C 13 33.857 0.2 . 1 . . . . 15 VAL CB . 17994 1 48 . 1 1 15 15 VAL N N 15 125.905 0.2 . 1 . . . . 15 VAL N . 17994 1 49 . 1 1 16 16 GLY H H 1 9.659 0.01 . 1 . . . . 16 GLY H . 17994 1 50 . 1 1 16 16 GLY CA C 13 47.247 0.2 . 1 . . . . 16 GLY CA . 17994 1 51 . 1 1 16 16 GLY N N 15 117.831 0.2 . 1 . . . . 16 GLY N . 17994 1 52 . 1 1 17 17 GLY H H 1 8.878 0.01 . 1 . . . . 17 GLY H . 17994 1 53 . 1 1 17 17 GLY CA C 13 45.116 0.2 . 1 . . . . 17 GLY CA . 17994 1 54 . 1 1 17 17 GLY N N 15 105.597 0.2 . 1 . . . . 17 GLY N . 17994 1 55 . 1 1 18 18 GLN H H 1 8.011 0.01 . 1 . . . . 18 GLN H . 17994 1 56 . 1 1 18 18 GLN CA C 13 54.601 0.2 . 1 . . . . 18 GLN CA . 17994 1 57 . 1 1 18 18 GLN CB C 13 31.532 0.2 . 1 . . . . 18 GLN CB . 17994 1 58 . 1 1 18 18 GLN N N 15 119.886 0.2 . 1 . . . . 18 GLN N . 17994 1 59 . 1 1 19 19 LEU H H 1 8.489 0.01 . 1 . . . . 19 LEU H . 17994 1 60 . 1 1 19 19 LEU CA C 13 54.081 0.2 . 1 . . . . 19 LEU CA . 17994 1 61 . 1 1 19 19 LEU CB C 13 42.796 0.2 . 1 . . . . 19 LEU CB . 17994 1 62 . 1 1 19 19 LEU N N 15 122.949 0.2 . 1 . . . . 19 LEU N . 17994 1 63 . 1 1 20 20 LYS H H 1 9.008 0.01 . 1 . . . . 20 LYS H . 17994 1 64 . 1 1 20 20 LYS CA C 13 53.767 0.2 . 1 . . . . 20 LYS CA . 17994 1 65 . 1 1 20 20 LYS CB C 13 37.599 0.2 . 1 . . . . 20 LYS CB . 17994 1 66 . 1 1 20 20 LYS N N 15 122.906 0.2 . 1 . . . . 20 LYS N . 17994 1 67 . 1 1 21 21 GLU H H 1 8.728 0.01 . 1 . . . . 21 GLU H . 17994 1 68 . 1 1 21 21 GLU CA C 13 55.319 0.2 . 1 . . . . 21 GLU CA . 17994 1 69 . 1 1 21 21 GLU CB C 13 32.452 0.2 . 1 . . . . 21 GLU CB . 17994 1 70 . 1 1 21 21 GLU N N 15 120.483 0.2 . 1 . . . . 21 GLU N . 17994 1 71 . 1 1 22 22 ALA H H 1 9.422 0.01 . 1 . . . . 22 ALA H . 17994 1 72 . 1 1 22 22 ALA CA C 13 51.098 0.2 . 1 . . . . 22 ALA CA . 17994 1 73 . 1 1 22 22 ALA CB C 13 24.911 0.2 . 1 . . . . 22 ALA CB . 17994 1 74 . 1 1 22 22 ALA N N 15 125.371 0.2 . 1 . . . . 22 ALA N . 17994 1 75 . 1 1 23 23 LEU H H 1 8.941 0.01 . 1 . . . . 23 LEU H . 17994 1 76 . 1 1 23 23 LEU CA C 13 53.674 0.2 . 1 . . . . 23 LEU CA . 17994 1 77 . 1 1 23 23 LEU CB C 13 45.415 0.2 . 1 . . . . 23 LEU CB . 17994 1 78 . 1 1 23 23 LEU N N 15 122.108 0.2 . 1 . . . . 23 LEU N . 17994 1 79 . 1 1 24 24 LEU CA C 13 55.138 0.2 . 1 . . . . 24 LEU CA . 17994 1 80 . 1 1 25 25 ASN H H 1 8.91 0.01 . 1 . . . . 25 ASN H . 17994 1 81 . 1 1 25 25 ASN CA C 13 51.703 0.2 . 1 . . . . 25 ASN CA . 17994 1 82 . 1 1 25 25 ASN CB C 13 40.917 0.2 . 1 . . . . 25 ASN CB . 17994 1 83 . 1 1 25 25 ASN N N 15 125.79 0.2 . 1 . . . . 25 ASN N . 17994 1 84 . 1 1 26 26 THR H H 1 8.312 0.01 . 1 . . . . 26 THR H . 17994 1 85 . 1 1 26 26 THR CA C 13 64.889 0.2 . 1 . . . . 26 THR CA . 17994 1 86 . 1 1 26 26 THR CB C 13 69.089 0.2 . 1 . . . . 26 THR CB . 17994 1 87 . 1 1 26 26 THR N N 15 111.287 0.2 . 1 . . . . 26 THR N . 17994 1 88 . 1 1 27 27 GLY H H 1 8.32 0.01 . 1 . . . . 27 GLY H . 17994 1 89 . 1 1 27 27 GLY CA C 13 45.278 0.2 . 1 . . . . 27 GLY CA . 17994 1 90 . 1 1 27 27 GLY N N 15 106.704 0.2 . 1 . . . . 27 GLY N . 17994 1 91 . 1 1 28 28 ALA H H 1 7.18 0.01 . 1 . . . . 28 ALA H . 17994 1 92 . 1 1 28 28 ALA CA C 13 49.968 0.2 . 1 . . . . 28 ALA CA . 17994 1 93 . 1 1 28 28 ALA CB C 13 20.59 0.2 . 1 . . . . 28 ALA CB . 17994 1 94 . 1 1 28 28 ALA N N 15 124.946 0.2 . 1 . . . . 28 ALA N . 17994 1 95 . 1 1 29 29 ASP H H 1 8.911 0.01 . 1 . . . . 29 ASP H . 17994 1 96 . 1 1 29 29 ASP CA C 13 57.261 0.2 . 1 . . . . 29 ASP CA . 17994 1 97 . 1 1 29 29 ASP CB C 13 41.357 0.2 . 1 . . . . 29 ASP CB . 17994 1 98 . 1 1 29 29 ASP N N 15 123.477 0.2 . 1 . . . . 29 ASP N . 17994 1 99 . 1 1 30 30 ASP H H 1 7.532 0.01 . 1 . . . . 30 ASP H . 17994 1 100 . 1 1 30 30 ASP CA C 13 53.547 0.2 . 1 . . . . 30 ASP CA . 17994 1 101 . 1 1 30 30 ASP CB C 13 44.295 0.2 . 1 . . . . 30 ASP CB . 17994 1 102 . 1 1 30 30 ASP N N 15 115.474 0.2 . 1 . . . . 30 ASP N . 17994 1 103 . 1 1 31 31 THR H H 1 8.535 0.01 . 1 . . . . 31 THR H . 17994 1 104 . 1 1 31 31 THR CA C 13 63.348 0.2 . 1 . . . . 31 THR CA . 17994 1 105 . 1 1 31 31 THR CB C 13 71.572 0.2 . 1 . . . . 31 THR CB . 17994 1 106 . 1 1 31 31 THR N N 15 119.422 0.2 . 1 . . . . 31 THR N . 17994 1 107 . 1 1 32 32 VAL H H 1 8.687 0.01 . 1 . . . . 32 VAL H . 17994 1 108 . 1 1 32 32 VAL CA C 13 59.594 0.2 . 1 . . . . 32 VAL CA . 17994 1 109 . 1 1 32 32 VAL CB C 13 34.59 0.2 . 1 . . . . 32 VAL CB . 17994 1 110 . 1 1 32 32 VAL N N 15 128.195 0.2 . 1 . . . . 32 VAL N . 17994 1 111 . 1 1 33 33 ILE H H 1 9.185 0.01 . 1 . . . . 33 ILE H . 17994 1 112 . 1 1 33 33 ILE CA C 13 58.065 0.2 . 1 . . . . 33 ILE CA . 17994 1 113 . 1 1 33 33 ILE CB C 13 41.64 0.2 . 1 . . . . 33 ILE CB . 17994 1 114 . 1 1 33 33 ILE N N 15 123.874 0.2 . 1 . . . . 33 ILE N . 17994 1 115 . 1 1 34 34 GLU H H 1 8.046 0.01 . 1 . . . . 34 GLU H . 17994 1 116 . 1 1 34 34 GLU CA C 13 55.25 0.2 . 1 . . . . 34 GLU CA . 17994 1 117 . 1 1 34 34 GLU CB C 13 30.717 0.2 . 1 . . . . 34 GLU CB . 17994 1 118 . 1 1 34 34 GLU N N 15 119.389 0.2 . 1 . . . . 34 GLU N . 17994 1 119 . 1 1 35 35 ASP H H 1 7.313 0.01 . 1 . . . . 35 ASP H . 17994 1 120 . 1 1 35 35 ASP CA C 13 56.657 0.2 . 1 . . . . 35 ASP CA . 17994 1 121 . 1 1 35 35 ASP CB C 13 41.696 0.2 . 1 . . . . 35 ASP CB . 17994 1 122 . 1 1 35 35 ASP N N 15 115.36 0.2 . 1 . . . . 35 ASP N . 17994 1 123 . 1 1 36 36 MET H H 1 7.088 0.01 . 1 . . . . 36 MET H . 17994 1 124 . 1 1 36 36 MET CA C 13 54.698 0.2 . 1 . . . . 36 MET CA . 17994 1 125 . 1 1 36 36 MET CB C 13 34.486 0.2 . 1 . . . . 36 MET CB . 17994 1 126 . 1 1 36 36 MET N N 15 119.245 0.2 . 1 . . . . 36 MET N . 17994 1 127 . 1 1 37 37 ASN H H 1 8.814 0.01 . 1 . . . . 37 ASN H . 17994 1 128 . 1 1 37 37 ASN CA C 13 53.477 0.2 . 1 . . . . 37 ASN CA . 17994 1 129 . 1 1 37 37 ASN CB C 13 37.899 0.2 . 1 . . . . 37 ASN CB . 17994 1 130 . 1 1 37 37 ASN N N 15 120.225 0.2 . 1 . . . . 37 ASN N . 17994 1 131 . 1 1 38 38 LEU H H 1 7.625 0.01 . 1 . . . . 38 LEU H . 17994 1 132 . 1 1 38 38 LEU CA C 13 52.087 0.2 . 1 . . . . 38 LEU CA . 17994 1 133 . 1 1 38 38 LEU CB C 13 42.826 0.2 . 1 . . . . 38 LEU CB . 17994 1 134 . 1 1 38 38 LEU N N 15 124.84 0.2 . 1 . . . . 38 LEU N . 17994 1 135 . 1 1 39 39 PRO CA C 13 62.845 0.2 . 1 . . . . 39 PRO CA . 17994 1 136 . 1 1 39 39 PRO CB C 13 32.437 0.2 . 1 . . . . 39 PRO CB . 17994 1 137 . 1 1 40 40 GLY H H 1 8.47 0.01 . 1 . . . . 40 GLY H . 17994 1 138 . 1 1 40 40 GLY CA C 13 44.352 0.2 . 1 . . . . 40 GLY CA . 17994 1 139 . 1 1 40 40 GLY N N 15 106.38 0.2 . 1 . . . . 40 GLY N . 17994 1 140 . 1 1 41 41 LYS H H 1 8.452 0.01 . 1 . . . . 41 LYS H . 17994 1 141 . 1 1 41 41 LYS CA C 13 56.254 0.2 . 1 . . . . 41 LYS CA . 17994 1 142 . 1 1 41 41 LYS CB C 13 33.497 0.2 . 1 . . . . 41 LYS CB . 17994 1 143 . 1 1 41 41 LYS N N 15 119.313 0.2 . 1 . . . . 41 LYS N . 17994 1 144 . 1 1 42 42 TRP H H 1 7.423 0.01 . 1 . . . . 42 TRP H . 17994 1 145 . 1 1 42 42 TRP CA C 13 53.974 0.2 . 1 . . . . 42 TRP CA . 17994 1 146 . 1 1 42 42 TRP CB C 13 31.085 0.2 . 1 . . . . 42 TRP CB . 17994 1 147 . 1 1 42 42 TRP N N 15 118.28 0.2 . 1 . . . . 42 TRP N . 17994 1 148 . 1 1 43 43 LYS H H 1 8.422 0.01 . 1 . . . . 43 LYS H . 17994 1 149 . 1 1 43 43 LYS CA C 13 53.166 0.2 . 1 . . . . 43 LYS CA . 17994 1 150 . 1 1 43 43 LYS CB C 13 34.856 0.2 . 1 . . . . 43 LYS CB . 17994 1 151 . 1 1 43 43 LYS N N 15 118.413 0.2 . 1 . . . . 43 LYS N . 17994 1 152 . 1 1 45 45 LYS CA C 13 55.387 0.2 . 1 . . . . 45 LYS CA . 17994 1 153 . 1 1 45 45 LYS CB C 13 36.868 0.2 . 1 . . . . 45 LYS CB . 17994 1 154 . 1 1 46 46 MET H H 1 8.448 0.01 . 1 . . . . 46 MET H . 17994 1 155 . 1 1 46 46 MET CA C 13 53.932 0.2 . 1 . . . . 46 MET CA . 17994 1 156 . 1 1 46 46 MET CB C 13 33.939 0.2 . 1 . . . . 46 MET CB . 17994 1 157 . 1 1 46 46 MET N N 15 122.278 0.2 . 1 . . . . 46 MET N . 17994 1 158 . 1 1 47 47 ILE H H 1 8.995 0.01 . 1 . . . . 47 ILE H . 17994 1 159 . 1 1 47 47 ILE CA C 13 59.32 0.2 . 1 . . . . 47 ILE CA . 17994 1 160 . 1 1 47 47 ILE CB C 13 42.175 0.2 . 1 . . . . 47 ILE CB . 17994 1 161 . 1 1 47 47 ILE N N 15 118.382 0.2 . 1 . . . . 47 ILE N . 17994 1 162 . 1 1 48 48 GLY H H 1 8.693 0.01 . 1 . . . . 48 GLY H . 17994 1 163 . 1 1 48 48 GLY CA C 13 45.555 0.2 . 1 . . . . 48 GLY CA . 17994 1 164 . 1 1 48 48 GLY N N 15 109.887 0.2 . 1 . . . . 48 GLY N . 17994 1 165 . 1 1 49 49 GLY H H 1 7.735 0.01 . 1 . . . . 49 GLY H . 17994 1 166 . 1 1 49 49 GLY CA C 13 44.331 0.2 . 1 . . . . 49 GLY CA . 17994 1 167 . 1 1 49 49 GLY N N 15 111.445 0.2 . 1 . . . . 49 GLY N . 17994 1 168 . 1 1 50 50 ILE H H 1 8.555 0.01 . 1 . . . . 50 ILE H . 17994 1 169 . 1 1 50 50 ILE CA C 13 62.67 0.2 . 1 . . . . 50 ILE CA . 17994 1 170 . 1 1 50 50 ILE CB C 13 36.981 0.2 . 1 . . . . 50 ILE CB . 17994 1 171 . 1 1 50 50 ILE N N 15 122.201 0.2 . 1 . . . . 50 ILE N . 17994 1 172 . 1 1 51 51 GLY H H 1 8.58 0.01 . 1 . . . . 51 GLY H . 17994 1 173 . 1 1 51 51 GLY CA C 13 45.14 0.2 . 1 . . . . 51 GLY CA . 17994 1 174 . 1 1 51 51 GLY N N 15 112.967 0.2 . 1 . . . . 51 GLY N . 17994 1 175 . 1 1 52 52 GLY H H 1 7.391 0.01 . 1 . . . . 52 GLY H . 17994 1 176 . 1 1 52 52 GLY CA C 13 44.743 0.2 . 1 . . . . 52 GLY CA . 17994 1 177 . 1 1 52 52 GLY N N 15 107.578 0.2 . 1 . . . . 52 GLY N . 17994 1 178 . 1 1 53 53 PHE H H 1 8.585 0.01 . 1 . . . . 53 PHE H . 17994 1 179 . 1 1 53 53 PHE CA C 13 58.108 0.2 . 1 . . . . 53 PHE CA . 17994 1 180 . 1 1 53 53 PHE CB C 13 41.28 0.2 . 1 . . . . 53 PHE CB . 17994 1 181 . 1 1 53 53 PHE N N 15 119.918 0.2 . 1 . . . . 53 PHE N . 17994 1 182 . 1 1 54 54 ILE H H 1 9.282 0.01 . 1 . . . . 54 ILE H . 17994 1 183 . 1 1 54 54 ILE CA C 13 59.904 0.2 . 1 . . . . 54 ILE CA . 17994 1 184 . 1 1 54 54 ILE CB C 13 41.645 0.2 . 1 . . . . 54 ILE CB . 17994 1 185 . 1 1 54 54 ILE N N 15 119.769 0.2 . 1 . . . . 54 ILE N . 17994 1 186 . 1 1 55 55 LYS H H 1 8.484 0.01 . 1 . . . . 55 LYS H . 17994 1 187 . 1 1 55 55 LYS CA C 13 56.732 0.2 . 1 . . . . 55 LYS CA . 17994 1 188 . 1 1 55 55 LYS CB C 13 32.849 0.2 . 1 . . . . 55 LYS CB . 17994 1 189 . 1 1 55 55 LYS N N 15 125.374 0.2 . 1 . . . . 55 LYS N . 17994 1 190 . 1 1 56 56 VAL H H 1 9.034 0.01 . 1 . . . . 56 VAL H . 17994 1 191 . 1 1 56 56 VAL CA C 13 58.605 0.2 . 1 . . . . 56 VAL CA . 17994 1 192 . 1 1 56 56 VAL CB C 13 35.323 0.2 . 1 . . . . 56 VAL CB . 17994 1 193 . 1 1 56 56 VAL N N 15 117.238 0.2 . 1 . . . . 56 VAL N . 17994 1 194 . 1 1 57 57 LYS H H 1 8.856 0.01 . 1 . . . . 57 LYS H . 17994 1 195 . 1 1 57 57 LYS CA C 13 55.468 0.2 . 1 . . . . 57 LYS CA . 17994 1 196 . 1 1 57 57 LYS CB C 13 35.449 0.2 . 1 . . . . 57 LYS CB . 17994 1 197 . 1 1 57 57 LYS N N 15 120.267 0.2 . 1 . . . . 57 LYS N . 17994 1 198 . 1 1 58 58 GLN H H 1 9.75 0.01 . 1 . . . . 58 GLN H . 17994 1 199 . 1 1 58 58 GLN CA C 13 55.769 0.2 . 1 . . . . 58 GLN CA . 17994 1 200 . 1 1 58 58 GLN CB C 13 29.839 0.2 . 1 . . . . 58 GLN CB . 17994 1 201 . 1 1 58 58 GLN N N 15 123.56 0.2 . 1 . . . . 58 GLN N . 17994 1 202 . 1 1 59 59 TYR H H 1 9.177 0.01 . 1 . . . . 59 TYR H . 17994 1 203 . 1 1 59 59 TYR CA C 13 57.644 0.2 . 1 . . . . 59 TYR CA . 17994 1 204 . 1 1 59 59 TYR CB C 13 40.759 0.2 . 1 . . . . 59 TYR CB . 17994 1 205 . 1 1 59 59 TYR N N 15 129.868 0.2 . 1 . . . . 59 TYR N . 17994 1 206 . 1 1 60 60 ASP H H 1 8.892 0.01 . 1 . . . . 60 ASP H . 17994 1 207 . 1 1 60 60 ASP CA C 13 54.03 0.2 . 1 . . . . 60 ASP CA . 17994 1 208 . 1 1 60 60 ASP CB C 13 43.297 0.2 . 1 . . . . 60 ASP CB . 17994 1 209 . 1 1 60 60 ASP N N 15 120.882 0.2 . 1 . . . . 60 ASP N . 17994 1 210 . 1 1 61 61 GLN H H 1 8.918 0.01 . 1 . . . . 61 GLN H . 17994 1 211 . 1 1 61 61 GLN CA C 13 56.669 0.2 . 1 . . . . 61 GLN CA . 17994 1 212 . 1 1 61 61 GLN CB C 13 27.059 0.2 . 1 . . . . 61 GLN CB . 17994 1 213 . 1 1 61 61 GLN N N 15 114.869 0.2 . 1 . . . . 61 GLN N . 17994 1 214 . 1 1 62 62 ILE H H 1 8.645 0.01 . 1 . . . . 62 ILE H . 17994 1 215 . 1 1 62 62 ILE CA C 13 57.635 0.2 . 1 . . . . 62 ILE CA . 17994 1 216 . 1 1 62 62 ILE CB C 13 37.13 0.2 . 1 . . . . 62 ILE CB . 17994 1 217 . 1 1 62 62 ILE N N 15 121.424 0.2 . 1 . . . . 62 ILE N . 17994 1 218 . 1 1 63 63 ILE H H 1 8.14 0.01 . 1 . . . . 63 ILE H . 17994 1 219 . 1 1 63 63 ILE CA C 13 61.206 0.2 . 1 . . . . 63 ILE CA . 17994 1 220 . 1 1 63 63 ILE CB C 13 38.354 0.2 . 1 . . . . 63 ILE CB . 17994 1 221 . 1 1 63 63 ILE N N 15 124.637 0.2 . 1 . . . . 63 ILE N . 17994 1 222 . 1 1 64 64 ILE H H 1 9.095 0.01 . 1 . . . . 64 ILE H . 17994 1 223 . 1 1 64 64 ILE CA C 13 59.238 0.2 . 1 . . . . 64 ILE CA . 17994 1 224 . 1 1 64 64 ILE CB C 13 41.242 0.2 . 1 . . . . 64 ILE CB . 17994 1 225 . 1 1 64 64 ILE N N 15 128.172 0.2 . 1 . . . . 64 ILE N . 17994 1 226 . 1 1 65 65 GLU H H 1 8.501 0.01 . 1 . . . . 65 GLU H . 17994 1 227 . 1 1 65 65 GLU CA C 13 54.709 0.2 . 1 . . . . 65 GLU CA . 17994 1 228 . 1 1 65 65 GLU CB C 13 31.896 0.2 . 1 . . . . 65 GLU CB . 17994 1 229 . 1 1 65 65 GLU N N 15 124.53 0.2 . 1 . . . . 65 GLU N . 17994 1 230 . 1 1 66 66 ILE H H 1 9.189 0.01 . 1 . . . . 66 ILE H . 17994 1 231 . 1 1 66 66 ILE CA C 13 61.076 0.2 . 1 . . . . 66 ILE CA . 17994 1 232 . 1 1 66 66 ILE CB C 13 39.391 0.2 . 1 . . . . 66 ILE CB . 17994 1 233 . 1 1 66 66 ILE N N 15 126.187 0.2 . 1 . . . . 66 ILE N . 17994 1 234 . 1 1 67 67 ALA H H 1 9.166 0.01 . 1 . . . . 67 ALA H . 17994 1 235 . 1 1 67 67 ALA CA C 13 53.299 0.2 . 1 . . . . 67 ALA CA . 17994 1 236 . 1 1 67 67 ALA CB C 13 17.394 0.2 . 1 . . . . 67 ALA CB . 17994 1 237 . 1 1 67 67 ALA N N 15 131.687 0.2 . 1 . . . . 67 ALA N . 17994 1 238 . 1 1 68 68 GLY H H 1 8.705 0.01 . 1 . . . . 68 GLY H . 17994 1 239 . 1 1 68 68 GLY CA C 13 45.45 0.2 . 1 . . . . 68 GLY CA . 17994 1 240 . 1 1 68 68 GLY N N 15 102.924 0.2 . 1 . . . . 68 GLY N . 17994 1 241 . 1 1 69 69 HIS CA C 13 54.571 0.2 . 1 . . . . 69 HIS CA . 17994 1 242 . 1 1 69 69 HIS CB C 13 29.458 0.2 . 1 . . . . 69 HIS CB . 17994 1 243 . 1 1 70 70 LYS H H 1 9.03 0.01 . 1 . . . . 70 LYS H . 17994 1 244 . 1 1 70 70 LYS CA C 13 58.069 0.2 . 1 . . . . 70 LYS CA . 17994 1 245 . 1 1 70 70 LYS CB C 13 33.306 0.2 . 1 . . . . 70 LYS CB . 17994 1 246 . 1 1 70 70 LYS N N 15 126.588 0.2 . 1 . . . . 70 LYS N . 17994 1 247 . 1 1 71 71 ALA H H 1 8.949 0.01 . 1 . . . . 71 ALA H . 17994 1 248 . 1 1 71 71 ALA CA C 13 50.829 0.2 . 1 . . . . 71 ALA CA . 17994 1 249 . 1 1 71 71 ALA CB C 13 23.224 0.2 . 1 . . . . 71 ALA CB . 17994 1 250 . 1 1 71 71 ALA N N 15 128.56 0.2 . 1 . . . . 71 ALA N . 17994 1 251 . 1 1 72 72 ILE H H 1 8.428 0.01 . 1 . . . . 72 ILE H . 17994 1 252 . 1 1 72 72 ILE CA C 13 59.257 0.2 . 1 . . . . 72 ILE CA . 17994 1 253 . 1 1 72 72 ILE CB C 13 40.719 0.2 . 1 . . . . 72 ILE CB . 17994 1 254 . 1 1 72 72 ILE N N 15 119.121 0.2 . 1 . . . . 72 ILE N . 17994 1 255 . 1 1 73 73 GLY H H 1 8.787 0.01 . 1 . . . . 73 GLY H . 17994 1 256 . 1 1 73 73 GLY CA C 13 46.083 0.2 . 1 . . . . 73 GLY CA . 17994 1 257 . 1 1 73 73 GLY N N 15 112.538 0.2 . 1 . . . . 73 GLY N . 17994 1 258 . 1 1 74 74 THR H H 1 8.699 0.01 . 1 . . . . 74 THR H . 17994 1 259 . 1 1 74 74 THR CA C 13 63.347 0.2 . 1 . . . . 74 THR CA . 17994 1 260 . 1 1 74 74 THR CB C 13 70.223 0.2 . 1 . . . . 74 THR CB . 17994 1 261 . 1 1 74 74 THR N N 15 118.403 0.2 . 1 . . . . 74 THR N . 17994 1 262 . 1 1 75 75 VAL H H 1 9.197 0.01 . 1 . . . . 75 VAL H . 17994 1 263 . 1 1 75 75 VAL CA C 13 61.154 0.2 . 1 . . . . 75 VAL CA . 17994 1 264 . 1 1 75 75 VAL CB C 13 36.061 0.2 . 1 . . . . 75 VAL CB . 17994 1 265 . 1 1 75 75 VAL N N 15 126.699 0.2 . 1 . . . . 75 VAL N . 17994 1 266 . 1 1 76 76 LEU H H 1 8.339 0.01 . 1 . . . . 76 LEU H . 17994 1 267 . 1 1 76 76 LEU CA C 13 55.187 0.2 . 1 . . . . 76 LEU CA . 17994 1 268 . 1 1 76 76 LEU CB C 13 41.14 0.2 . 1 . . . . 76 LEU CB . 17994 1 269 . 1 1 76 76 LEU N N 15 125.6 0.2 . 1 . . . . 76 LEU N . 17994 1 270 . 1 1 77 77 VAL H H 1 9.273 0.01 . 1 . . . . 77 VAL H . 17994 1 271 . 1 1 77 77 VAL CA C 13 60.02 0.2 . 1 . . . . 77 VAL CA . 17994 1 272 . 1 1 77 77 VAL CB C 13 34.98 0.2 . 1 . . . . 77 VAL CB . 17994 1 273 . 1 1 77 77 VAL N N 15 122.1 0.2 . 1 . . . . 77 VAL N . 17994 1 274 . 1 1 78 78 GLY H H 1 9.204 0.01 . 1 . . . . 78 GLY H . 17994 1 275 . 1 1 78 78 GLY CA C 13 45.86 0.2 . 1 . . . . 78 GLY CA . 17994 1 276 . 1 1 78 78 GLY N N 15 116.1 0.2 . 1 . . . . 78 GLY N . 17994 1 277 . 1 1 79 79 PRO CA C 13 63.331 0.2 . 1 . . . . 79 PRO CA . 17994 1 278 . 1 1 79 79 PRO CB C 13 29.388 0.2 . 1 . . . . 79 PRO CB . 17994 1 279 . 1 1 80 80 THR H H 1 8.329 0.01 . 1 . . . . 80 THR H . 17994 1 280 . 1 1 80 80 THR CB C 13 70.291 0.2 . 1 . . . . 80 THR CB . 17994 1 281 . 1 1 80 80 THR N N 15 119.517 0.2 . 1 . . . . 80 THR N . 17994 1 282 . 1 1 81 81 PRO CA C 13 63.967 0.2 . 1 . . . . 81 PRO CA . 17994 1 283 . 1 1 81 81 PRO CB C 13 31.725 0.2 . 1 . . . . 81 PRO CB . 17994 1 284 . 1 1 82 82 VAL H H 1 7.103 0.01 . 1 . . . . 82 VAL H . 17994 1 285 . 1 1 82 82 VAL CA C 13 59.986 0.2 . 1 . . . . 82 VAL CA . 17994 1 286 . 1 1 82 82 VAL CB C 13 35.716 0.2 . 1 . . . . 82 VAL CB . 17994 1 287 . 1 1 82 82 VAL N N 15 115.407 0.2 . 1 . . . . 82 VAL N . 17994 1 288 . 1 1 83 83 ASN H H 1 8.95 0.01 . 1 . . . . 83 ASN H . 17994 1 289 . 1 1 83 83 ASN CA C 13 53.845 0.2 . 1 . . . . 83 ASN CA . 17994 1 290 . 1 1 83 83 ASN CB C 13 37.924 0.2 . 1 . . . . 83 ASN CB . 17994 1 291 . 1 1 83 83 ASN N N 15 126.692 0.2 . 1 . . . . 83 ASN N . 17994 1 292 . 1 1 84 84 ILE H H 1 9.742 0.01 . 1 . . . . 84 ILE H . 17994 1 293 . 1 1 84 84 ILE CA C 13 60.622 0.2 . 1 . . . . 84 ILE CA . 17994 1 294 . 1 1 84 84 ILE CB C 13 41.902 0.2 . 1 . . . . 84 ILE CB . 17994 1 295 . 1 1 84 84 ILE N N 15 125.903 0.2 . 1 . . . . 84 ILE N . 17994 1 296 . 1 1 85 85 ILE H H 1 8.868 0.01 . 1 . . . . 85 ILE H . 17994 1 297 . 1 1 85 85 ILE CA C 13 58.378 0.2 . 1 . . . . 85 ILE CA . 17994 1 298 . 1 1 85 85 ILE CB C 13 35.282 0.2 . 1 . . . . 85 ILE CB . 17994 1 299 . 1 1 85 85 ILE N N 15 125.146 0.2 . 1 . . . . 85 ILE N . 17994 1 300 . 1 1 86 86 GLY H H 1 8.114 0.01 . 1 . . . . 86 GLY H . 17994 1 301 . 1 1 86 86 GLY CA C 13 43.171 0.2 . 1 . . . . 86 GLY CA . 17994 1 302 . 1 1 86 86 GLY N N 15 114.613 0.2 . 1 . . . . 86 GLY N . 17994 1 303 . 1 1 87 87 ARG H H 1 9.156 0.01 . 1 . . . . 87 ARG H . 17994 1 304 . 1 1 87 87 ARG CA C 13 61.269 0.2 . 1 . . . . 87 ARG CA . 17994 1 305 . 1 1 87 87 ARG CB C 13 29.97 0.2 . 1 . . . . 87 ARG CB . 17994 1 306 . 1 1 87 87 ARG N N 15 115.965 0.2 . 1 . . . . 87 ARG N . 17994 1 307 . 1 1 88 88 ASN H H 1 7.957 0.01 . 1 . . . . 88 ASN H . 17994 1 308 . 1 1 88 88 ASN CA C 13 57.129 0.2 . 1 . . . . 88 ASN CA . 17994 1 309 . 1 1 88 88 ASN CB C 13 36.555 0.2 . 1 . . . . 88 ASN CB . 17994 1 310 . 1 1 88 88 ASN N N 15 114.883 0.2 . 1 . . . . 88 ASN N . 17994 1 311 . 1 1 89 89 LEU H H 1 6.893 0.01 . 1 . . . . 89 LEU H . 17994 1 312 . 1 1 89 89 LEU CA C 13 55.352 0.2 . 1 . . . . 89 LEU CA . 17994 1 313 . 1 1 89 89 LEU CB C 13 42.284 0.2 . 1 . . . . 89 LEU CB . 17994 1 314 . 1 1 89 89 LEU N N 15 116.114 0.2 . 1 . . . . 89 LEU N . 17994 1 315 . 1 1 90 90 LEU H H 1 7.982 0.01 . 1 . . . . 90 LEU H . 17994 1 316 . 1 1 90 90 LEU CA C 13 57.849 0.2 . 1 . . . . 90 LEU CA . 17994 1 317 . 1 1 90 90 LEU CB C 13 41.409 0.2 . 1 . . . . 90 LEU CB . 17994 1 318 . 1 1 90 90 LEU N N 15 119.672 0.2 . 1 . . . . 90 LEU N . 17994 1 319 . 1 1 91 91 THR H H 1 7.944 0.01 . 1 . . . . 91 THR H . 17994 1 320 . 1 1 91 91 THR CA C 13 63.83 0.2 . 1 . . . . 91 THR CA . 17994 1 321 . 1 1 91 91 THR CB C 13 67.897 0.2 . 1 . . . . 91 THR CB . 17994 1 322 . 1 1 91 91 THR N N 15 106.956 0.2 . 1 . . . . 91 THR N . 17994 1 323 . 1 1 92 92 GLN H H 1 6.701 0.01 . 1 . . . . 92 GLN H . 17994 1 324 . 1 1 92 92 GLN CA C 13 57.649 0.2 . 1 . . . . 92 GLN CA . 17994 1 325 . 1 1 92 92 GLN CB C 13 29.239 0.2 . 1 . . . . 92 GLN CB . 17994 1 326 . 1 1 92 92 GLN N N 15 119.905 0.2 . 1 . . . . 92 GLN N . 17994 1 327 . 1 1 93 93 ILE H H 1 6.924 0.01 . 1 . . . . 93 ILE H . 17994 1 328 . 1 1 93 93 ILE CA C 13 60.753 0.2 . 1 . . . . 93 ILE CA . 17994 1 329 . 1 1 93 93 ILE CB C 13 37.536 0.2 . 1 . . . . 93 ILE CB . 17994 1 330 . 1 1 93 93 ILE N N 15 108.301 0.2 . 1 . . . . 93 ILE N . 17994 1 331 . 1 1 94 94 GLY H H 1 7.308 0.01 . 1 . . . . 94 GLY H . 17994 1 332 . 1 1 94 94 GLY CA C 13 46.012 0.2 . 1 . . . . 94 GLY CA . 17994 1 333 . 1 1 94 94 GLY N N 15 108.462 0.2 . 1 . . . . 94 GLY N . 17994 1 334 . 1 1 95 95 ALA H H 1 7.511 0.01 . 1 . . . . 95 ALA H . 17994 1 335 . 1 1 95 95 ALA CA C 13 51.649 0.2 . 1 . . . . 95 ALA CA . 17994 1 336 . 1 1 95 95 ALA CB C 13 19.468 0.2 . 1 . . . . 95 ALA CB . 17994 1 337 . 1 1 95 95 ALA N N 15 119.923 0.2 . 1 . . . . 95 ALA N . 17994 1 338 . 1 1 96 96 THR H H 1 8.996 0.01 . 1 . . . . 96 THR H . 17994 1 339 . 1 1 96 96 THR CA C 13 59.328 0.2 . 1 . . . . 96 THR CA . 17994 1 340 . 1 1 96 96 THR CB C 13 72.333 0.2 . 1 . . . . 96 THR CB . 17994 1 341 . 1 1 96 96 THR N N 15 109.253 0.2 . 1 . . . . 96 THR N . 17994 1 342 . 1 1 97 97 LEU H H 1 8.639 0.01 . 1 . . . . 97 LEU H . 17994 1 343 . 1 1 97 97 LEU CA C 13 53.51 0.2 . 1 . . . . 97 LEU CA . 17994 1 344 . 1 1 97 97 LEU CB C 13 45.909 0.2 . 1 . . . . 97 LEU CB . 17994 1 345 . 1 1 97 97 LEU N N 15 121.39 0.2 . 1 . . . . 97 LEU N . 17994 1 346 . 1 1 98 98 ASN H H 1 9.025 0.01 . 1 . . . . 98 ASN H . 17994 1 347 . 1 1 98 98 ASN CA C 13 52.843 0.2 . 1 . . . . 98 ASN CA . 17994 1 348 . 1 1 98 98 ASN CB C 13 41.742 0.2 . 1 . . . . 98 ASN CB . 17994 1 349 . 1 1 98 98 ASN N N 15 122.346 0.2 . 1 . . . . 98 ASN N . 17994 1 350 . 1 1 99 99 PHE H H 1 8.002 0.01 . 1 . . . . 99 PHE H . 17994 1 351 . 1 1 99 99 PHE CA C 13 59.042 0.2 . 1 . . . . 99 PHE CA . 17994 1 352 . 1 1 99 99 PHE CB C 13 38.097 0.2 . 1 . . . . 99 PHE CB . 17994 1 353 . 1 1 99 99 PHE N N 15 121.208 0.2 . 1 . . . . 99 PHE N . 17994 1 stop_ save_