data_26987 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26987 _Entry.Title ; HIV1 protease folded and cold-denatured ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-03 _Entry.Accession_date 2017-01-03 _Entry.Last_release_date 2017-01-03 _Entry.Original_release_date 2017-01-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Heike Roesner . I. . . 26987 2 Birthe Kragelund . B. . . 26987 3 Andreas Prestel . . . . 26987 4 Martina Caldarini . . . . 26987 5 Guido Tiana . . . . 26987 6 Ricardo Broglia . . . . 26987 7 Maria Vanoni . . . . 26987 8 Alessandro Aliverti . . . . 26987 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 Copenhagen' . 26987 2 . 'University of Milan' . 26987 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26987 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 26987 '15N chemical shifts' 158 26987 '1H chemical shifts' 158 26987 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 . . 2021-07-22 . original BMRB . 26987 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26987 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28168877 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Cold denaturation of the HIV-1 protease monomer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 56 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 1029 _Citation.Page_last 1032 _Citation.Year 2017 _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 Heike Roesner . I. . . 26987 1 2 Martina Caldarini . I. . . 26987 1 3 Andreas Prestel . . . . 26987 1 4 Ricardo Broglia . . . . 26987 1 5 Maria Vanoni . . . . 26987 1 6 Alessandro Aliverti . . . . 26987 1 7 Guido Tiana . . . . 26987 1 8 Birthe Kragelund . B. . . 26987 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26987 _Assembly.ID 1 _Assembly.Name 'HIV1 protease' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'HIV1 protease monomer, folded' 1 $HIV1_protease_monomer A . yes native no no . . . 26987 1 2 'HIV1 protease monomer, unfolded' 1 $HIV1_protease_monomer A . yes native no no . . . 26987 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV1_protease_monomer _Entity.Sf_category entity _Entity.Sf_framecode HIV1_protease_monomer _Entity.Entry_ID 26987 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIV1_protease_monomer _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 ; PQITLWKRPLVTIRIGGQLK EALLNTGADDTVLEEMNLPG KWKPKMIGGIGGFIKVRQYD QIPVEIAGHKAIGTVLVGPT PVNIIGRNLLTQIGA ; _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 95 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . PRO . 26987 1 2 . GLN . 26987 1 3 . ILE . 26987 1 4 . THR . 26987 1 5 . LEU . 26987 1 6 . TRP . 26987 1 7 . LYS . 26987 1 8 . ARG . 26987 1 9 . PRO . 26987 1 10 . LEU . 26987 1 11 . VAL . 26987 1 12 . THR . 26987 1 13 . ILE . 26987 1 14 . ARG . 26987 1 15 . ILE . 26987 1 16 . GLY . 26987 1 17 . GLY . 26987 1 18 . GLN . 26987 1 19 . LEU . 26987 1 20 . LYS . 26987 1 21 . GLU . 26987 1 22 . ALA . 26987 1 23 . LEU . 26987 1 24 . LEU . 26987 1 25 . ASN . 26987 1 26 . THR . 26987 1 27 . GLY . 26987 1 28 . ALA . 26987 1 29 . ASP . 26987 1 30 . ASP . 26987 1 31 . THR . 26987 1 32 . VAL . 26987 1 33 . LEU . 26987 1 34 . GLU . 26987 1 35 . GLU . 26987 1 36 . MET . 26987 1 37 . ASN . 26987 1 38 . LEU . 26987 1 39 . PRO . 26987 1 40 . GLY . 26987 1 41 . LYS . 26987 1 42 . TRP . 26987 1 43 . LYS . 26987 1 44 . PRO . 26987 1 45 . LYS . 26987 1 46 . MET . 26987 1 47 . ILE . 26987 1 48 . GLY . 26987 1 49 . GLY . 26987 1 50 . ILE . 26987 1 51 . GLY . 26987 1 52 . GLY . 26987 1 53 . PHE . 26987 1 54 . ILE . 26987 1 55 . LYS . 26987 1 56 . VAL . 26987 1 57 . ARG . 26987 1 58 . GLN . 26987 1 59 . TYR . 26987 1 60 . ASP . 26987 1 61 . GLN . 26987 1 62 . ILE . 26987 1 63 . PRO . 26987 1 64 . VAL . 26987 1 65 . GLU . 26987 1 66 . ILE . 26987 1 67 . ALA . 26987 1 68 . GLY . 26987 1 69 . HIS . 26987 1 70 . LYS . 26987 1 71 . ALA . 26987 1 72 . ILE . 26987 1 73 . GLY . 26987 1 74 . THR . 26987 1 75 . VAL . 26987 1 76 . LEU . 26987 1 77 . VAL . 26987 1 78 . GLY . 26987 1 79 . PRO . 26987 1 80 . THR . 26987 1 81 . PRO . 26987 1 82 . VAL . 26987 1 83 . ASN . 26987 1 84 . ILE . 26987 1 85 . ILE . 26987 1 86 . GLY . 26987 1 87 . ARG . 26987 1 88 . ASN . 26987 1 89 . LEU . 26987 1 90 . LEU . 26987 1 91 . THR . 26987 1 92 . GLN . 26987 1 93 . ILE . 26987 1 94 . GLY . 26987 1 95 . ALA . 26987 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 26987 1 . GLN 2 2 26987 1 . ILE 3 3 26987 1 . THR 4 4 26987 1 . LEU 5 5 26987 1 . TRP 6 6 26987 1 . LYS 7 7 26987 1 . ARG 8 8 26987 1 . PRO 9 9 26987 1 . LEU 10 10 26987 1 . VAL 11 11 26987 1 . THR 12 12 26987 1 . ILE 13 13 26987 1 . ARG 14 14 26987 1 . ILE 15 15 26987 1 . GLY 16 16 26987 1 . GLY 17 17 26987 1 . GLN 18 18 26987 1 . LEU 19 19 26987 1 . LYS 20 20 26987 1 . GLU 21 21 26987 1 . ALA 22 22 26987 1 . LEU 23 23 26987 1 . LEU 24 24 26987 1 . ASN 25 25 26987 1 . THR 26 26 26987 1 . GLY 27 27 26987 1 . ALA 28 28 26987 1 . ASP 29 29 26987 1 . ASP 30 30 26987 1 . THR 31 31 26987 1 . VAL 32 32 26987 1 . LEU 33 33 26987 1 . GLU 34 34 26987 1 . GLU 35 35 26987 1 . MET 36 36 26987 1 . ASN 37 37 26987 1 . LEU 38 38 26987 1 . PRO 39 39 26987 1 . GLY 40 40 26987 1 . LYS 41 41 26987 1 . TRP 42 42 26987 1 . LYS 43 43 26987 1 . PRO 44 44 26987 1 . LYS 45 45 26987 1 . MET 46 46 26987 1 . ILE 47 47 26987 1 . GLY 48 48 26987 1 . GLY 49 49 26987 1 . ILE 50 50 26987 1 . GLY 51 51 26987 1 . GLY 52 52 26987 1 . PHE 53 53 26987 1 . ILE 54 54 26987 1 . LYS 55 55 26987 1 . VAL 56 56 26987 1 . ARG 57 57 26987 1 . GLN 58 58 26987 1 . TYR 59 59 26987 1 . ASP 60 60 26987 1 . GLN 61 61 26987 1 . ILE 62 62 26987 1 . PRO 63 63 26987 1 . VAL 64 64 26987 1 . GLU 65 65 26987 1 . ILE 66 66 26987 1 . ALA 67 67 26987 1 . GLY 68 68 26987 1 . HIS 69 69 26987 1 . LYS 70 70 26987 1 . ALA 71 71 26987 1 . ILE 72 72 26987 1 . GLY 73 73 26987 1 . THR 74 74 26987 1 . VAL 75 75 26987 1 . LEU 76 76 26987 1 . VAL 77 77 26987 1 . GLY 78 78 26987 1 . PRO 79 79 26987 1 . THR 80 80 26987 1 . PRO 81 81 26987 1 . VAL 82 82 26987 1 . ASN 83 83 26987 1 . ILE 84 84 26987 1 . ILE 85 85 26987 1 . GLY 86 86 26987 1 . ARG 87 87 26987 1 . ASN 88 88 26987 1 . LEU 89 89 26987 1 . LEU 90 90 26987 1 . THR 91 91 26987 1 . GLN 92 92 26987 1 . ILE 93 93 26987 1 . GLY 94 94 26987 1 . ALA 95 95 26987 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 26987 _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 $HIV1_protease_monomer . 11676 organism . . HIV-1 HIV-1 . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . 26987 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 26987 _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 $HIV1_protease_monomer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11a . . . 26987 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26987 _Sample.ID 1 _Sample.Name . _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 'HIV1 protease monomer' '[U-13C; U-15N]' . . 1 $HIV1_protease_monomer . . 200 . . uM . . . . 26987 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26987 1 3 DSS 'natural abundance' . . . . . . 125 . . uM . . . . 26987 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26987 _Sample.ID 2 _Sample.Name . _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 'HIV1 protease monomer' '[U-13C; U-15N]' . . 1 $HIV1_protease_monomer . . 200 . . uM . . . . 26987 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 26987 2 3 DSS 'natural abundance' . . . . . . 125 . . uM . . . . 26987 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26987 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 26987 1 pressure 1 . atm 26987 1 temperature 273 . K 26987 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 26987 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 26987 2 pressure 1 . atm 26987 2 temperature 273 . K 26987 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26987 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26987 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26987 1 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 26987 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26987 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 26987 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent Avance . 800 . . . 26987 1 2 spectrometer_2 Varian INOVA . 750 . . . 26987 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 26987 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 26987 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 26987 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 26987 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 26987 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 26987 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 26987 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 26987 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . . 26987 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . . 26987 1 10 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . . 26987 1 11 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . . 26987 1 12 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . . 26987 1 13 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . . 26987 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26987 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 26987 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 26987 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26987 1 stop_ save_ save_chemical_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_2 _Chem_shift_reference.Entry_ID 26987 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 26987 2 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 26987 2 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26987 2 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 26987 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26987 1 2 '3D CBCA(CO)NH' . . . 26987 1 3 '3D HNCO' . . . 26987 1 4 '3D HNCA' . . . 26987 1 5 '3D HNCACB' . . . 26987 1 6 '3D HN(CO)CA' . . . 26987 1 7 '3D 1H-15N NOESY' . . . 26987 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 9 9 PRO CA C 13 63.602 0.000 . 1 . . . . . 9 PRO CA . 26987 1 2 . 1 . 1 10 10 LEU H H 1 7.577 0.001 . 1 . . . . . 10 LEU H . 26987 1 3 . 1 . 1 10 10 LEU CA C 13 54.267 0.014 . 1 . . . . . 10 LEU CA . 26987 1 4 . 1 . 1 10 10 LEU N N 15 120.817 0.000 . 1 . . . . . 10 LEU N . 26987 1 5 . 1 . 1 11 11 VAL H H 1 9.121 0.001 . 1 . . . . . 11 VAL H . 26987 1 6 . 1 . 1 11 11 VAL CA C 13 59.497 0.016 . 1 . . . . . 11 VAL CA . 26987 1 7 . 1 . 1 11 11 VAL N N 15 118.875 0.000 . 1 . . . . . 11 VAL N . 26987 1 8 . 1 . 1 12 12 THR H H 1 8.202 0.001 . 1 . . . . . 12 THR H . 26987 1 9 . 1 . 1 12 12 THR CA C 13 62.297 0.021 . 1 . . . . . 12 THR CA . 26987 1 10 . 1 . 1 12 12 THR N N 15 116.946 0.000 . 1 . . . . . 12 THR N . 26987 1 11 . 1 . 1 13 13 ILE H H 1 9.244 0.001 . 1 . . . . . 13 ILE H . 26987 1 12 . 1 . 1 13 13 ILE CA C 13 58.059 0.019 . 1 . . . . . 13 ILE CA . 26987 1 13 . 1 . 1 13 13 ILE N N 15 121.442 0.000 . 1 . . . . . 13 ILE N . 26987 1 14 . 1 . 1 14 14 ARG H H 1 8.793 0.002 . 1 . . . . . 14 ARG H . 26987 1 15 . 1 . 1 14 14 ARG CA C 13 54.650 0.017 . 1 . . . . . 14 ARG CA . 26987 1 16 . 1 . 1 14 14 ARG N N 15 122.848 0.000 . 1 . . . . . 14 ARG N . 26987 1 17 . 1 . 1 15 15 ILE H H 1 8.892 0.001 . 1 . . . . . 15 ILE H . 26987 1 18 . 1 . 1 15 15 ILE CA C 13 59.424 0.038 . 1 . . . . . 15 ILE CA . 26987 1 19 . 1 . 1 15 15 ILE N N 15 124.953 0.000 . 1 . . . . . 15 ILE N . 26987 1 20 . 1 . 1 16 16 GLY H H 1 9.635 0.004 . 1 . . . . . 16 GLY H . 26987 1 21 . 1 . 1 16 16 GLY CA C 13 47.053 0.027 . 1 . . . . . 16 GLY CA . 26987 1 22 . 1 . 1 16 16 GLY N N 15 118.359 0.000 . 1 . . . . . 16 GLY N . 26987 1 23 . 1 . 1 17 17 GLY H H 1 8.747 0.004 . 1 . . . . . 17 GLY H . 26987 1 24 . 1 . 1 17 17 GLY CA C 13 45.246 0.071 . 1 . . . . . 17 GLY CA . 26987 1 25 . 1 . 1 17 17 GLY N N 15 105.873 0.000 . 1 . . . . . 17 GLY N . 26987 1 26 . 1 . 1 18 18 GLN H H 1 7.997 0.003 . 1 . . . . . 18 GLN H . 26987 1 27 . 1 . 1 18 18 GLN CA C 13 54.439 0.046 . 1 . . . . . 18 GLN CA . 26987 1 28 . 1 . 1 18 18 GLN N N 15 119.864 0.000 . 1 . . . . . 18 GLN N . 26987 1 29 . 1 . 1 19 19 LEU H H 1 8.416 0.010 . 1 . . . . . 19 LEU H . 26987 1 30 . 1 . 1 19 19 LEU CA C 13 54.341 0.005 . 1 . . . . . 19 LEU CA . 26987 1 31 . 1 . 1 19 19 LEU N N 15 123.617 0.014 . 1 . . . . . 19 LEU N . 26987 1 32 . 1 . 1 20 20 LYS H H 1 8.989 0.002 . 1 . . . . . 20 LYS H . 26987 1 33 . 1 . 1 20 20 LYS CA C 13 53.525 0.012 . 1 . . . . . 20 LYS CA . 26987 1 34 . 1 . 1 20 20 LYS N N 15 123.446 0.000 . 1 . . . . . 20 LYS N . 26987 1 35 . 1 . 1 21 21 GLU H H 1 8.552 0.001 . 1 . . . . . 21 GLU H . 26987 1 36 . 1 . 1 21 21 GLU CA C 13 55.354 0.014 . 1 . . . . . 21 GLU CA . 26987 1 37 . 1 . 1 21 21 GLU N N 15 119.919 0.000 . 1 . . . . . 21 GLU N . 26987 1 38 . 1 . 1 22 22 ALA H H 1 9.257 0.001 . 1 . . . . . 22 ALA H . 26987 1 39 . 1 . 1 22 22 ALA CA C 13 50.988 0.045 . 1 . . . . . 22 ALA CA . 26987 1 40 . 1 . 1 22 22 ALA N N 15 124.786 0.000 . 1 . . . . . 22 ALA N . 26987 1 41 . 1 . 1 23 23 LEU H H 1 8.611 0.003 . 1 . . . . . 23 LEU H . 26987 1 42 . 1 . 1 23 23 LEU CA C 13 53.779 0.033 . 1 . . . . . 23 LEU CA . 26987 1 43 . 1 . 1 23 23 LEU N N 15 120.201 0.000 . 1 . . . . . 23 LEU N . 26987 1 44 . 1 . 1 24 24 LEU H H 1 8.517 0.004 . 1 . . . . . 24 LEU H . 26987 1 45 . 1 . 1 24 24 LEU CA C 13 54.642 0.000 . 1 . . . . . 24 LEU CA . 26987 1 46 . 1 . 1 24 24 LEU N N 15 122.212 0.000 . 1 . . . . . 24 LEU N . 26987 1 47 . 1 . 1 26 26 THR CA C 13 63.627 0.000 . 1 . . . . . 26 THR CA . 26987 1 48 . 1 . 1 27 27 GLY H H 1 8.287 0.001 . 1 . . . . . 27 GLY H . 26987 1 49 . 1 . 1 27 27 GLY CA C 13 45.210 0.036 . 1 . . . . . 27 GLY CA . 26987 1 50 . 1 . 1 27 27 GLY N N 15 108.023 0.000 . 1 . . . . . 27 GLY N . 26987 1 51 . 1 . 1 28 28 ALA H H 1 7.348 0.002 . 1 . . . . . 28 ALA H . 26987 1 52 . 1 . 1 28 28 ALA CA C 13 50.937 0.035 . 1 . . . . . 28 ALA CA . 26987 1 53 . 1 . 1 28 28 ALA N N 15 123.103 0.000 . 1 . . . . . 28 ALA N . 26987 1 54 . 1 . 1 29 29 ASP H H 1 8.665 0.001 . 1 . . . . . 29 ASP H . 26987 1 55 . 1 . 1 29 29 ASP CA C 13 57.468 0.028 . 1 . . . . . 29 ASP CA . 26987 1 56 . 1 . 1 29 29 ASP N N 15 121.169 0.000 . 1 . . . . . 29 ASP N . 26987 1 57 . 1 . 1 30 30 ASP H H 1 7.580 0.003 . 1 . . . . . 30 ASP H . 26987 1 58 . 1 . 1 30 30 ASP CA C 13 54.121 0.031 . 1 . . . . . 30 ASP CA . 26987 1 59 . 1 . 1 30 30 ASP N N 15 116.170 0.000 . 1 . . . . . 30 ASP N . 26987 1 60 . 1 . 1 31 31 THR H H 1 8.730 0.001 . 1 . . . . . 31 THR H . 26987 1 61 . 1 . 1 31 31 THR CA C 13 63.113 0.003 . 1 . . . . . 31 THR CA . 26987 1 62 . 1 . 1 31 31 THR N N 15 119.944 0.000 . 1 . . . . . 31 THR N . 26987 1 63 . 1 . 1 32 32 VAL H H 1 8.705 0.003 . 1 . . . . . 32 VAL H . 26987 1 64 . 1 . 1 32 32 VAL CA C 13 60.215 0.037 . 1 . . . . . 32 VAL CA . 26987 1 65 . 1 . 1 32 32 VAL N N 15 128.016 0.000 . 1 . . . . . 32 VAL N . 26987 1 66 . 1 . 1 33 33 LEU H H 1 9.231 0.001 . 1 . . . . . 33 LEU H . 26987 1 67 . 1 . 1 33 33 LEU CA C 13 52.254 0.039 . 1 . . . . . 33 LEU CA . 26987 1 68 . 1 . 1 33 33 LEU N N 15 126.210 0.000 . 1 . . . . . 33 LEU N . 26987 1 69 . 1 . 1 34 34 GLU H H 1 8.039 0.001 . 1 . . . . . 34 GLU H . 26987 1 70 . 1 . 1 34 34 GLU CA C 13 55.158 0.020 . 1 . . . . . 34 GLU CA . 26987 1 71 . 1 . 1 34 34 GLU N N 15 115.954 0.000 . 1 . . . . . 34 GLU N . 26987 1 72 . 1 . 1 35 35 GLU H H 1 7.334 0.002 . 1 . . . . . 35 GLU H . 26987 1 73 . 1 . 1 35 35 GLU CA C 13 58.410 0.016 . 1 . . . . . 35 GLU CA . 26987 1 74 . 1 . 1 35 35 GLU N N 15 115.897 0.000 . 1 . . . . . 35 GLU N . 26987 1 75 . 1 . 1 36 36 MET H H 1 6.965 0.003 . 1 . . . . . 36 MET H . 26987 1 76 . 1 . 1 36 36 MET CA C 13 54.680 0.020 . 1 . . . . . 36 MET CA . 26987 1 77 . 1 . 1 36 36 MET N N 15 120.048 0.000 . 1 . . . . . 36 MET N . 26987 1 78 . 1 . 1 37 37 ASN H H 1 8.654 0.003 . 1 . . . . . 37 ASN H . 26987 1 79 . 1 . 1 37 37 ASN CA C 13 52.633 0.051 . 1 . . . . . 37 ASN CA . 26987 1 80 . 1 . 1 37 37 ASN N N 15 119.415 0.000 . 1 . . . . . 37 ASN N . 26987 1 81 . 1 . 1 38 38 LEU H H 1 7.321 0.006 . 1 . . . . . 38 LEU H . 26987 1 82 . 1 . 1 38 38 LEU CA C 13 60.001 5.664 . 1 . . . . . 38 LEU CA . 26987 1 83 . 1 . 1 38 38 LEU N N 15 124.481 0.000 . 1 . . . . . 38 LEU N . 26987 1 84 . 1 . 1 39 39 PRO CA C 13 62.750 0.011 . 1 . . . . . 39 PRO CA . 26987 1 85 . 1 . 1 40 40 GLY H H 1 8.292 0.003 . 1 . . . . . 40 GLY H . 26987 1 86 . 1 . 1 40 40 GLY CA C 13 44.404 0.016 . 1 . . . . . 40 GLY CA . 26987 1 87 . 1 . 1 40 40 GLY N N 15 106.220 0.020 . 1 . . . . . 40 GLY N . 26987 1 88 . 1 . 1 41 41 LYS H H 1 8.348 0.002 . 1 . . . . . 41 LYS H . 26987 1 89 . 1 . 1 41 41 LYS CA C 13 56.363 0.035 . 1 . . . . . 41 LYS CA . 26987 1 90 . 1 . 1 41 41 LYS N N 15 119.345 0.000 . 1 . . . . . 41 LYS N . 26987 1 91 . 1 . 1 42 42 TRP H H 1 7.347 0.001 . 1 . . . . . 42 TRP H . 26987 1 92 . 1 . 1 42 42 TRP CA C 13 53.950 0.018 . 1 . . . . . 42 TRP CA . 26987 1 93 . 1 . 1 42 42 TRP N N 15 118.263 0.000 . 1 . . . . . 42 TRP N . 26987 1 94 . 1 . 1 43 43 LYS H H 1 8.436 0.001 . 1 . . . . . 43 LYS H . 26987 1 95 . 1 . 1 43 43 LYS CA C 13 52.996 0.000 . 1 . . . . . 43 LYS CA . 26987 1 96 . 1 . 1 43 43 LYS N N 15 118.246 0.000 . 1 . . . . . 43 LYS N . 26987 1 97 . 1 . 1 44 44 PRO CA C 13 62.933 0.018 . 1 . . . . . 44 PRO CA . 26987 1 98 . 1 . 1 45 45 LYS H H 1 8.613 0.004 . 1 . . . . . 45 LYS H . 26987 1 99 . 1 . 1 45 45 LYS CA C 13 55.552 0.032 . 1 . . . . . 45 LYS CA . 26987 1 100 . 1 . 1 45 45 LYS N N 15 121.783 0.000 . 1 . . . . . 45 LYS N . 26987 1 101 . 1 . 1 46 46 MET H H 1 8.341 0.002 . 1 . . . . . 46 MET H . 26987 1 102 . 1 . 1 46 46 MET CA C 13 54.094 0.027 . 1 . . . . . 46 MET CA . 26987 1 103 . 1 . 1 46 46 MET N N 15 122.188 0.000 . 1 . . . . . 46 MET N . 26987 1 104 . 1 . 1 47 47 ILE H H 1 8.898 0.001 . 1 . . . . . 47 ILE H . 26987 1 105 . 1 . 1 47 47 ILE CA C 13 59.346 0.039 . 1 . . . . . 47 ILE CA . 26987 1 106 . 1 . 1 47 47 ILE N N 15 118.849 0.000 . 1 . . . . . 47 ILE N . 26987 1 107 . 1 . 1 48 48 GLY H H 1 8.544 0.001 . 1 . . . . . 48 GLY H . 26987 1 108 . 1 . 1 48 48 GLY CA C 13 45.409 0.014 . 1 . . . . . 48 GLY CA . 26987 1 109 . 1 . 1 48 48 GLY N N 15 110.060 0.000 . 1 . . . . . 48 GLY N . 26987 1 110 . 1 . 1 49 49 GLY H H 1 7.633 0.004 . 1 . . . . . 49 GLY H . 26987 1 111 . 1 . 1 49 49 GLY CA C 13 44.568 0.035 . 1 . . . . . 49 GLY CA . 26987 1 112 . 1 . 1 49 49 GLY N N 15 110.654 0.000 . 1 . . . . . 49 GLY N . 26987 1 113 . 1 . 1 50 50 ILE H H 1 8.450 0.002 . 1 . . . . . 50 ILE H . 26987 1 114 . 1 . 1 50 50 ILE CA C 13 62.861 0.000 . 1 . . . . . 50 ILE CA . 26987 1 115 . 1 . 1 50 50 ILE N N 15 122.013 0.000 . 1 . . . . . 50 ILE N . 26987 1 116 . 1 . 1 51 51 GLY H H 1 8.617 0.002 . 1 . . . . . 51 GLY H . 26987 1 117 . 1 . 1 51 51 GLY CA C 13 45.176 0.059 . 1 . . . . . 51 GLY CA . 26987 1 118 . 1 . 1 51 51 GLY N N 15 112.645 0.000 . 1 . . . . . 51 GLY N . 26987 1 119 . 1 . 1 52 52 GLY H H 1 7.496 0.003 . 1 . . . . . 52 GLY H . 26987 1 120 . 1 . 1 52 52 GLY CA C 13 44.586 0.016 . 1 . . . . . 52 GLY CA . 26987 1 121 . 1 . 1 52 52 GLY N N 15 108.196 0.000 . 1 . . . . . 52 GLY N . 26987 1 122 . 1 . 1 53 53 PHE H H 1 8.379 0.002 . 1 . . . . . 53 PHE H . 26987 1 123 . 1 . 1 53 53 PHE CA C 13 57.966 0.040 . 1 . . . . . 53 PHE CA . 26987 1 124 . 1 . 1 53 53 PHE N N 15 119.911 0.000 . 1 . . . . . 53 PHE N . 26987 1 125 . 1 . 1 54 54 ILE H H 1 9.141 0.005 . 1 . . . . . 54 ILE H . 26987 1 126 . 1 . 1 54 54 ILE CA C 13 59.939 0.013 . 1 . . . . . 54 ILE CA . 26987 1 127 . 1 . 1 54 54 ILE N N 15 119.277 0.000 . 1 . . . . . 54 ILE N . 26987 1 128 . 1 . 1 55 55 LYS H H 1 8.385 0.003 . 1 . . . . . 55 LYS H . 26987 1 129 . 1 . 1 55 55 LYS CA C 13 56.447 0.026 . 1 . . . . . 55 LYS CA . 26987 1 130 . 1 . 1 55 55 LYS N N 15 125.078 0.000 . 1 . . . . . 55 LYS N . 26987 1 131 . 1 . 1 56 56 VAL H H 1 8.963 0.003 . 1 . . . . . 56 VAL H . 26987 1 132 . 1 . 1 56 56 VAL CA C 13 58.353 0.025 . 1 . . . . . 56 VAL CA . 26987 1 133 . 1 . 1 56 56 VAL N N 15 117.032 0.000 . 1 . . . . . 56 VAL N . 26987 1 134 . 1 . 1 57 57 ARG H H 1 8.950 0.002 . 1 . . . . . 57 ARG H . 26987 1 135 . 1 . 1 57 57 ARG CA C 13 55.546 0.021 . 1 . . . . . 57 ARG CA . 26987 1 136 . 1 . 1 57 57 ARG N N 15 119.035 0.000 . 1 . . . . . 57 ARG N . 26987 1 137 . 1 . 1 58 58 GLN H H 1 9.633 0.002 . 1 . . . . . 58 GLN H . 26987 1 138 . 1 . 1 58 58 GLN CA C 13 55.680 0.046 . 1 . . . . . 58 GLN CA . 26987 1 139 . 1 . 1 58 58 GLN N N 15 123.685 0.000 . 1 . . . . . 58 GLN N . 26987 1 140 . 1 . 1 59 59 TYR H H 1 9.267 0.001 . 1 . . . . . 59 TYR H . 26987 1 141 . 1 . 1 59 59 TYR CA C 13 57.482 0.022 . 1 . . . . . 59 TYR CA . 26987 1 142 . 1 . 1 59 59 TYR N N 15 128.863 0.000 . 1 . . . . . 59 TYR N . 26987 1 143 . 1 . 1 60 60 ASP H H 1 8.838 0.003 . 1 . . . . . 60 ASP H . 26987 1 144 . 1 . 1 60 60 ASP CA C 13 53.967 0.016 . 1 . . . . . 60 ASP CA . 26987 1 145 . 1 . 1 60 60 ASP N N 15 120.813 0.000 . 1 . . . . . 60 ASP N . 26987 1 146 . 1 . 1 61 61 GLN H H 1 8.849 0.004 . 1 . . . . . 61 GLN H . 26987 1 147 . 1 . 1 61 61 GLN CA C 13 56.440 0.000 . 1 . . . . . 61 GLN CA . 26987 1 148 . 1 . 1 61 61 GLN N N 15 114.578 0.000 . 1 . . . . . 61 GLN N . 26987 1 149 . 1 . 1 65 65 GLU CA C 13 54.841 0.018 . 1 . . . . . 65 GLU CA . 26987 1 150 . 1 . 1 66 66 ILE H H 1 9.228 0.001 . 1 . . . . . 66 ILE H . 26987 1 151 . 1 . 1 66 66 ILE CA C 13 60.784 0.042 . 1 . . . . . 66 ILE CA . 26987 1 152 . 1 . 1 66 66 ILE N N 15 126.600 0.000 . 1 . . . . . 66 ILE N . 26987 1 153 . 1 . 1 67 67 ALA H H 1 9.075 0.002 . 1 . . . . . 67 ALA H . 26987 1 154 . 1 . 1 67 67 ALA CA C 13 53.224 0.038 . 1 . . . . . 67 ALA CA . 26987 1 155 . 1 . 1 67 67 ALA N N 15 131.235 0.000 . 1 . . . . . 67 ALA N . 26987 1 156 . 1 . 1 68 68 GLY H H 1 8.395 0.004 . 1 . . . . . 68 GLY H . 26987 1 157 . 1 . 1 68 68 GLY CA C 13 45.337 0.023 . 1 . . . . . 68 GLY CA . 26987 1 158 . 1 . 1 68 68 GLY N N 15 102.540 0.121 . 1 . . . . . 68 GLY N . 26987 1 159 . 1 . 1 69 69 HIS H H 1 8.153 0.001 . 1 . . . . . 69 HIS H . 26987 1 160 . 1 . 1 69 69 HIS CA C 13 54.794 0.023 . 1 . . . . . 69 HIS CA . 26987 1 161 . 1 . 1 69 69 HIS N N 15 119.730 0.000 . 1 . . . . . 69 HIS N . 26987 1 162 . 1 . 1 70 70 LYS H H 1 8.819 0.003 . 1 . . . . . 70 LYS H . 26987 1 163 . 1 . 1 70 70 LYS CA C 13 57.397 0.009 . 1 . . . . . 70 LYS CA . 26987 1 164 . 1 . 1 70 70 LYS N N 15 124.813 0.000 . 1 . . . . . 70 LYS N . 26987 1 165 . 1 . 1 71 71 ALA H H 1 8.773 0.003 . 1 . . . . . 71 ALA H . 26987 1 166 . 1 . 1 71 71 ALA CA C 13 50.854 0.043 . 1 . . . . . 71 ALA CA . 26987 1 167 . 1 . 1 71 71 ALA N N 15 126.517 0.000 . 1 . . . . . 71 ALA N . 26987 1 168 . 1 . 1 72 72 ILE H H 1 8.589 0.002 . 1 . . . . . 72 ILE H . 26987 1 169 . 1 . 1 72 72 ILE CA C 13 59.844 0.015 . 1 . . . . . 72 ILE CA . 26987 1 170 . 1 . 1 72 72 ILE N N 15 119.357 0.000 . 1 . . . . . 72 ILE N . 26987 1 171 . 1 . 1 73 73 GLY H H 1 8.504 0.001 . 1 . . . . . 73 GLY H . 26987 1 172 . 1 . 1 73 73 GLY CA C 13 46.292 0.064 . 1 . . . . . 73 GLY CA . 26987 1 173 . 1 . 1 73 73 GLY N N 15 113.299 0.000 . 1 . . . . . 73 GLY N . 26987 1 174 . 1 . 1 74 74 THR H H 1 8.523 0.002 . 1 . . . . . 74 THR H . 26987 1 175 . 1 . 1 74 74 THR CA C 13 63.266 0.015 . 1 . . . . . 74 THR CA . 26987 1 176 . 1 . 1 74 74 THR N N 15 118.527 0.000 . 1 . . . . . 74 THR N . 26987 1 177 . 1 . 1 75 75 VAL H H 1 9.175 0.002 . 1 . . . . . 75 VAL H . 26987 1 178 . 1 . 1 75 75 VAL CA C 13 60.438 0.014 . 1 . . . . . 75 VAL CA . 26987 1 179 . 1 . 1 75 75 VAL N N 15 123.346 0.000 . 1 . . . . . 75 VAL N . 26987 1 180 . 1 . 1 76 76 LEU H H 1 8.362 0.002 . 1 . . . . . 76 LEU H . 26987 1 181 . 1 . 1 76 76 LEU CA C 13 52.886 0.022 . 1 . . . . . 76 LEU CA . 26987 1 182 . 1 . 1 76 76 LEU N N 15 124.096 0.004 . 1 . . . . . 76 LEU N . 26987 1 183 . 1 . 1 77 77 VAL H H 1 9.067 0.001 . 1 . . . . . 77 VAL H . 26987 1 184 . 1 . 1 77 77 VAL CA C 13 59.825 0.034 . 1 . . . . . 77 VAL CA . 26987 1 185 . 1 . 1 77 77 VAL N N 15 120.444 0.000 . 1 . . . . . 77 VAL N . 26987 1 186 . 1 . 1 78 78 GLY H H 1 9.219 0.003 . 1 . . . . . 78 GLY H . 26987 1 187 . 1 . 1 78 78 GLY CA C 13 45.960 0.000 . 1 . . . . . 78 GLY CA . 26987 1 188 . 1 . 1 78 78 GLY N N 15 114.158 0.000 . 1 . . . . . 78 GLY N . 26987 1 189 . 1 . 1 86 86 GLY CA C 13 43.420 0.000 . 1 . . . . . 86 GLY CA . 26987 1 190 . 1 . 1 87 87 ARG H H 1 8.980 0.002 . 1 . . . . . 87 ARG H . 26987 1 191 . 1 . 1 87 87 ARG CA C 13 59.692 0.020 . 1 . . . . . 87 ARG CA . 26987 1 192 . 1 . 1 87 87 ARG N N 15 116.514 0.000 . 1 . . . . . 87 ARG N . 26987 1 193 . 1 . 1 88 88 ASN H H 1 8.222 0.005 . 1 . . . . . 88 ASN H . 26987 1 194 . 1 . 1 88 88 ASN CA C 13 56.891 0.018 . 1 . . . . . 88 ASN CA . 26987 1 195 . 1 . 1 88 88 ASN N N 15 116.191 0.000 . 1 . . . . . 88 ASN N . 26987 1 196 . 1 . 1 89 89 LEU H H 1 7.329 0.004 . 1 . . . . . 89 LEU H . 26987 1 197 . 1 . 1 89 89 LEU CA C 13 56.290 0.018 . 1 . . . . . 89 LEU CA . 26987 1 198 . 1 . 1 89 89 LEU N N 15 118.121 0.000 . 1 . . . . . 89 LEU N . 26987 1 199 . 1 . 1 90 90 LEU H H 1 7.803 0.001 . 1 . . . . . 90 LEU H . 26987 1 200 . 1 . 1 90 90 LEU CA C 13 57.793 0.022 . 1 . . . . . 90 LEU CA . 26987 1 201 . 1 . 1 90 90 LEU N N 15 117.804 0.000 . 1 . . . . . 90 LEU N . 26987 1 202 . 1 . 1 91 91 THR H H 1 8.271 0.001 . 1 . . . . . 91 THR H . 26987 1 203 . 1 . 1 91 91 THR CA C 13 64.616 0.019 . 1 . . . . . 91 THR CA . 26987 1 204 . 1 . 1 91 91 THR N N 15 110.887 0.000 . 1 . . . . . 91 THR N . 26987 1 205 . 1 . 1 92 92 GLN H H 1 7.427 0.003 . 1 . . . . . 92 GLN H . 26987 1 206 . 1 . 1 92 92 GLN CA C 13 57.168 0.020 . 1 . . . . . 92 GLN CA . 26987 1 207 . 1 . 1 92 92 GLN N N 15 118.191 0.000 . 1 . . . . . 92 GLN N . 26987 1 208 . 1 . 1 93 93 ILE H H 1 7.290 0.003 . 1 . . . . . 93 ILE H . 26987 1 209 . 1 . 1 93 93 ILE CA C 13 61.251 0.043 . 1 . . . . . 93 ILE CA . 26987 1 210 . 1 . 1 93 93 ILE N N 15 113.816 0.000 . 1 . . . . . 93 ILE N . 26987 1 211 . 1 . 1 94 94 GLY H H 1 7.807 0.002 . 1 . . . . . 94 GLY H . 26987 1 212 . 1 . 1 94 94 GLY CA C 13 45.708 0.030 . 1 . . . . . 94 GLY CA . 26987 1 213 . 1 . 1 94 94 GLY N N 15 110.710 0.000 . 1 . . . . . 94 GLY N . 26987 1 214 . 1 . 1 95 95 ALA H H 1 7.591 0.001 . 1 . . . . . 95 ALA H . 26987 1 215 . 1 . 1 95 95 ALA CA C 13 53.451 0.000 . 1 . . . . . 95 ALA CA . 26987 1 216 . 1 . 1 95 95 ALA N N 15 128.940 0.000 . 1 . . . . . 95 ALA N . 26987 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26987 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 8 '2D 1H-15N HSQC' . . . 26987 2 9 '3D CBCA(CO)NH' . . . 26987 2 10 '3D HNCO' . . . 26987 2 11 '3D HNCA' . . . 26987 2 12 '3D HNCACB' . . . 26987 2 13 '3D HN(CO)CA' . . . 26987 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 1 1 1 PRO C C 13 178.42 . . 1 . . . . . 1 PRO C . 26987 2 2 . 2 . 1 1 1 PRO CA C 13 62.21 . . 1 . . . . . 1 PRO CA . 26987 2 3 . 2 . 1 2 2 GLN H H 1 8.91 . . 1 . . . . . 2 GLN H . 26987 2 4 . 2 . 1 2 2 GLN C C 13 176.02 . . 1 . . . . . 2 GLN C . 26987 2 5 . 2 . 1 2 2 GLN CA C 13 55.66 . . 1 . . . . . 2 GLN CA . 26987 2 6 . 2 . 1 2 2 GLN N N 15 120.36 . . 1 . . . . . 2 GLN N . 26987 2 7 . 2 . 1 3 3 ILE H H 1 8.55 . . 1 . . . . . 3 ILE H . 26987 2 8 . 2 . 1 3 3 ILE C C 13 176.29 . . 1 . . . . . 3 ILE C . 26987 2 9 . 2 . 1 3 3 ILE CA C 13 61.1 . . 1 . . . . . 3 ILE CA . 26987 2 10 . 2 . 1 3 3 ILE N N 15 124.43 . . 1 . . . . . 3 ILE N . 26987 2 11 . 2 . 1 4 4 THR H H 1 8.49 . . 1 . . . . . 4 THR H . 26987 2 12 . 2 . 1 4 4 THR C C 13 174.04 . . 1 . . . . . 4 THR C . 26987 2 13 . 2 . 1 4 4 THR CA C 13 61.83 . . 1 . . . . . 4 THR CA . 26987 2 14 . 2 . 1 4 4 THR N N 15 120.84 . . 1 . . . . . 4 THR N . 26987 2 15 . 2 . 1 5 5 LEU H H 1 8.45 . . 1 . . . . . 5 LEU H . 26987 2 16 . 2 . 1 5 5 LEU C C 13 176.72 . . 1 . . . . . 5 LEU C . 26987 2 17 . 2 . 1 5 5 LEU CA C 13 55.03 . . 1 . . . . . 5 LEU CA . 26987 2 18 . 2 . 1 5 5 LEU N N 15 126.14 . . 1 . . . . . 5 LEU N . 26987 2 19 . 2 . 1 6 6 TRP H H 1 8.3 . . 1 . . . . . 6 TRP H . 26987 2 20 . 2 . 1 6 6 TRP C C 13 175.67 . . 1 . . . . . 6 TRP C . 26987 2 21 . 2 . 1 6 6 TRP CA C 13 57.47 . . 1 . . . . . 6 TRP CA . 26987 2 22 . 2 . 1 6 6 TRP N N 15 122.75 . . 1 . . . . . 6 TRP N . 26987 2 23 . 2 . 1 7 7 LYS H H 1 8.05 . . 1 . . . . . 7 LYS H . 26987 2 24 . 2 . 1 7 7 LYS C C 13 175.16 . . 1 . . . . . 7 LYS C . 26987 2 25 . 2 . 1 7 7 LYS CA C 13 55.43 . . 1 . . . . . 7 LYS CA . 26987 2 26 . 2 . 1 7 7 LYS N N 15 124.64 . . 1 . . . . . 7 LYS N . 26987 2 27 . 2 . 1 8 8 ARG H H 1 8.24 . . 1 . . . . . 8 ARG H . 26987 2 28 . 2 . 1 8 8 ARG CA C 13 54.17 . . 1 . . . . . 8 ARG CA . 26987 2 29 . 2 . 1 8 8 ARG N N 15 124.32 . . 1 . . . . . 8 ARG N . 26987 2 30 . 2 . 1 9 9 PRO C C 13 176.58 . . 1 . . . . . 9 PRO C . 26987 2 31 . 2 . 1 9 9 PRO CA C 13 62.84 . . 1 . . . . . 9 PRO CA . 26987 2 32 . 2 . 1 10 10 LEU H H 1 8.48 . . 1 . . . . . 10 LEU H . 26987 2 33 . 2 . 1 10 10 LEU C C 13 177.39 . . 1 . . . . . 10 LEU C . 26987 2 34 . 2 . 1 10 10 LEU CA C 13 55.27 . . 1 . . . . . 10 LEU CA . 26987 2 35 . 2 . 1 10 10 LEU N N 15 123.21 . . 1 . . . . . 10 LEU N . 26987 2 36 . 2 . 1 11 11 VAL H H 1 8.34 . . 1 . . . . . 11 VAL H . 26987 2 37 . 2 . 1 11 11 VAL C C 13 176.02 . . 1 . . . . . 11 VAL C . 26987 2 38 . 2 . 1 11 11 VAL CA C 13 62 . . 1 . . . . . 11 VAL CA . 26987 2 39 . 2 . 1 11 11 VAL N N 15 122.45 . . 1 . . . . . 11 VAL N . 26987 2 40 . 2 . 1 12 12 THR H H 1 8.48 . . 1 . . . . . 12 THR H . 26987 2 41 . 2 . 1 12 12 THR C C 13 174.19 . . 1 . . . . . 12 THR C . 26987 2 42 . 2 . 1 12 12 THR CA C 13 61.79 . . 1 . . . . . 12 THR CA . 26987 2 43 . 2 . 1 12 12 THR N N 15 120.21 . . 1 . . . . . 12 THR N . 26987 2 44 . 2 . 1 13 13 ILE H H 1 8.43 . . 1 . . . . . 13 ILE H . 26987 2 45 . 2 . 1 13 13 ILE C C 13 175.65 . . 1 . . . . . 13 ILE C . 26987 2 46 . 2 . 1 13 13 ILE CA C 13 60.81 . . 1 . . . . . 13 ILE CA . 26987 2 47 . 2 . 1 13 13 ILE N N 15 124.87 . . 1 . . . . . 13 ILE N . 26987 2 48 . 2 . 1 14 14 ARG H H 1 8.6 . . 1 . . . . . 14 ARG H . 26987 2 49 . 2 . 1 14 14 ARG C C 13 175.79 . . 1 . . . . . 14 ARG C . 26987 2 50 . 2 . 1 14 14 ARG CA C 13 55.91 . . 1 . . . . . 14 ARG CA . 26987 2 51 . 2 . 1 14 14 ARG N N 15 126.53 . . 1 . . . . . 14 ARG N . 26987 2 52 . 2 . 1 15 15 ILE H H 1 8.61 . . 1 . . . . . 15 ILE H . 26987 2 53 . 2 . 1 15 15 ILE C C 13 176.94 . . 1 . . . . . 15 ILE C . 26987 2 54 . 2 . 1 15 15 ILE CA C 13 61.1 . . 1 . . . . . 15 ILE CA . 26987 2 55 . 2 . 1 15 15 ILE N N 15 124.28 . . 1 . . . . . 15 ILE N . 26987 2 56 . 2 . 1 16 16 GLY H H 1 8.82 . . 1 . . . . . 16 GLY H . 26987 2 57 . 2 . 1 16 16 GLY C C 13 174.86 . . 1 . . . . . 16 GLY C . 26987 2 58 . 2 . 1 16 16 GLY CA C 13 45.42 . . 1 . . . . . 16 GLY CA . 26987 2 59 . 2 . 1 16 16 GLY N N 15 114.55 . . 1 . . . . . 16 GLY N . 26987 2 60 . 2 . 1 17 17 GLY H H 1 8.5 . . 1 . . . . . 17 GLY H . 26987 2 61 . 2 . 1 17 17 GLY C C 13 174.15 . . 1 . . . . . 17 GLY C . 26987 2 62 . 2 . 1 17 17 GLY CA C 13 45.19 . . 1 . . . . . 17 GLY CA . 26987 2 63 . 2 . 1 17 17 GLY N N 15 108.84 . . 1 . . . . . 17 GLY N . 26987 2 64 . 2 . 1 18 18 GLN H H 1 8.39 . . 1 . . . . . 18 GLN H . 26987 2 65 . 2 . 1 18 18 GLN C C 13 176.08 . . 1 . . . . . 18 GLN C . 26987 2 66 . 2 . 1 18 18 GLN CA C 13 55.72 . . 1 . . . . . 18 GLN CA . 26987 2 67 . 2 . 1 18 18 GLN N N 15 119.84 . . 1 . . . . . 18 GLN N . 26987 2 68 . 2 . 1 19 19 LEU H H 1 8.51 . . 1 . . . . . 19 LEU H . 26987 2 69 . 2 . 1 19 19 LEU C C 13 177.46 . . 1 . . . . . 19 LEU C . 26987 2 70 . 2 . 1 19 19 LEU CA C 13 55.34 . . 1 . . . . . 19 LEU CA . 26987 2 71 . 2 . 1 19 19 LEU N N 15 123.94 . . 1 . . . . . 19 LEU N . 26987 2 72 . 2 . 1 20 20 LYS H H 1 8.51 . . 1 . . . . . 20 LYS H . 26987 2 73 . 2 . 1 20 20 LYS C C 13 176.56 . . 1 . . . . . 20 LYS C . 26987 2 74 . 2 . 1 20 20 LYS CA C 13 56.47 . . 1 . . . . . 20 LYS CA . 26987 2 75 . 2 . 1 20 20 LYS N N 15 122.69 . . 1 . . . . . 20 LYS N . 26987 2 76 . 2 . 1 21 21 GLU H H 1 8.53 . . 1 . . . . . 21 GLU H . 26987 2 77 . 2 . 1 21 21 GLU C C 13 176.25 . . 1 . . . . . 21 GLU C . 26987 2 78 . 2 . 1 21 21 GLU CA C 13 56.73 . . 1 . . . . . 21 GLU CA . 26987 2 79 . 2 . 1 21 21 GLU N N 15 122.07 . . 1 . . . . . 21 GLU N . 26987 2 80 . 2 . 1 22 22 ALA H H 1 8.43 . . 1 . . . . . 22 ALA H . 26987 2 81 . 2 . 1 22 22 ALA C C 13 177.64 . . 1 . . . . . 22 ALA C . 26987 2 82 . 2 . 1 22 22 ALA CA C 13 52.56 . . 1 . . . . . 22 ALA CA . 26987 2 83 . 2 . 1 22 22 ALA N N 15 125.31 . . 1 . . . . . 22 ALA N . 26987 2 84 . 2 . 1 23 23 LEU H H 1 8.29 . . 1 . . . . . 23 LEU H . 26987 2 85 . 2 . 1 23 23 LEU C C 13 177.43 . . 1 . . . . . 23 LEU C . 26987 2 86 . 2 . 1 23 23 LEU CA C 13 54.98 . . 1 . . . . . 23 LEU CA . 26987 2 87 . 2 . 1 23 23 LEU N N 15 121.29 . . 1 . . . . . 23 LEU N . 26987 2 88 . 2 . 1 24 24 LEU H H 1 8.3 . . 1 . . . . . 24 LEU H . 26987 2 89 . 2 . 1 24 24 LEU C C 13 177.05 . . 1 . . . . . 24 LEU C . 26987 2 90 . 2 . 1 24 24 LEU CA C 13 55.09 . . 1 . . . . . 24 LEU CA . 26987 2 91 . 2 . 1 24 24 LEU N N 15 123.05 . . 1 . . . . . 24 LEU N . 26987 2 92 . 2 . 1 25 25 ASN H H 1 8.59 . . 1 . . . . . 25 ASN H . 26987 2 93 . 2 . 1 25 25 ASN C C 13 175.58 . . 1 . . . . . 25 ASN C . 26987 2 94 . 2 . 1 25 25 ASN CA C 13 53.18 . . 1 . . . . . 25 ASN CA . 26987 2 95 . 2 . 1 25 25 ASN N N 15 119.94 . . 1 . . . . . 25 ASN N . 26987 2 96 . 2 . 1 26 26 THR H H 1 8.33 . . 1 . . . . . 26 THR H . 26987 2 97 . 2 . 1 26 26 THR C C 13 175.39 . . 1 . . . . . 26 THR C . 26987 2 98 . 2 . 1 26 26 THR CA C 13 62.07 . . 1 . . . . . 26 THR CA . 26987 2 99 . 2 . 1 26 26 THR N N 15 114.07 . . 1 . . . . . 26 THR N . 26987 2 100 . 2 . 1 27 27 GLY H H 1 8.59 . . 1 . . . . . 27 GLY H . 26987 2 101 . 2 . 1 27 27 GLY C C 13 173.99 . . 1 . . . . . 27 GLY C . 26987 2 102 . 2 . 1 27 27 GLY CA C 13 45.26 . . 1 . . . . . 27 GLY CA . 26987 2 103 . 2 . 1 27 27 GLY N N 15 111.44 . . 1 . . . . . 27 GLY N . 26987 2 104 . 2 . 1 28 28 ALA H H 1 8.25 . . 1 . . . . . 28 ALA H . 26987 2 105 . 2 . 1 28 28 ALA C C 13 177.6 . . 1 . . . . . 28 ALA C . 26987 2 106 . 2 . 1 28 28 ALA CA C 13 52.58 . . 1 . . . . . 28 ALA CA . 26987 2 107 . 2 . 1 28 28 ALA N N 15 123.82 . . 1 . . . . . 28 ALA N . 26987 2 108 . 2 . 1 29 29 ASP H H 1 8.45 . . 1 . . . . . 29 ASP H . 26987 2 109 . 2 . 1 29 29 ASP C C 13 176.21 . . 1 . . . . . 29 ASP C . 26987 2 110 . 2 . 1 29 29 ASP CA C 13 54.3 . . 1 . . . . . 29 ASP CA . 26987 2 111 . 2 . 1 29 29 ASP N N 15 119.47 . . 1 . . . . . 29 ASP N . 26987 2 112 . 2 . 1 30 30 ASP H H 1 8.39 . . 1 . . . . . 30 ASP H . 26987 2 113 . 2 . 1 30 30 ASP C C 13 176.72 . . 1 . . . . . 30 ASP C . 26987 2 114 . 2 . 1 30 30 ASP CA C 13 54.6 . . 1 . . . . . 30 ASP CA . 26987 2 115 . 2 . 1 30 30 ASP N N 15 121.38 . . 1 . . . . . 30 ASP N . 26987 2 116 . 2 . 1 31 31 THR H H 1 8.26 . . 1 . . . . . 31 THR H . 26987 2 117 . 2 . 1 31 31 THR C C 13 174.85 . . 1 . . . . . 31 THR C . 26987 2 118 . 2 . 1 31 31 THR CA C 13 63 . . 1 . . . . . 31 THR CA . 26987 2 119 . 2 . 1 31 31 THR N N 15 115.1 . . 1 . . . . . 31 THR N . 26987 2 120 . 2 . 1 32 32 VAL H H 1 8.2 . . 1 . . . . . 32 VAL H . 26987 2 121 . 2 . 1 32 32 VAL C C 13 176.35 . . 1 . . . . . 32 VAL C . 26987 2 122 . 2 . 1 32 32 VAL CA C 13 62.8 . . 1 . . . . . 32 VAL CA . 26987 2 123 . 2 . 1 32 32 VAL N N 15 123.61 . . 1 . . . . . 32 VAL N . 26987 2 124 . 2 . 1 33 33 LEU H H 1 8.37 . . 1 . . . . . 33 LEU H . 26987 2 125 . 2 . 1 33 33 LEU C C 13 177.68 . . 1 . . . . . 33 LEU C . 26987 2 126 . 2 . 1 33 33 LEU CA C 13 55.45 . . 1 . . . . . 33 LEU CA . 26987 2 127 . 2 . 1 33 33 LEU N N 15 126.08 . . 1 . . . . . 33 LEU N . 26987 2 128 . 2 . 1 34 34 GLU H H 1 8.47 . . 1 . . . . . 34 GLU H . 26987 2 129 . 2 . 1 34 34 GLU C C 13 176.88 . . 1 . . . . . 34 GLU C . 26987 2 130 . 2 . 1 34 34 GLU CA C 13 57.02 . . 1 . . . . . 34 GLU CA . 26987 2 131 . 2 . 1 34 34 GLU N N 15 121.86 . . 1 . . . . . 34 GLU N . 26987 2 132 . 2 . 1 35 35 GLU H H 1 8.49 . . 1 . . . . . 35 GLU H . 26987 2 133 . 2 . 1 35 35 GLU C C 13 176.85 . . 1 . . . . . 35 GLU C . 26987 2 134 . 2 . 1 35 35 GLU CA C 13 57.12 . . 1 . . . . . 35 GLU CA . 26987 2 135 . 2 . 1 35 35 GLU N N 15 121.7 . . 1 . . . . . 35 GLU N . 26987 2 136 . 2 . 1 36 36 MET H H 1 8.36 . . 1 . . . . . 36 MET H . 26987 2 137 . 2 . 1 36 36 MET C C 13 176.06 . . 1 . . . . . 36 MET C . 26987 2 138 . 2 . 1 36 36 MET CA C 13 55.93 . . 1 . . . . . 36 MET CA . 26987 2 139 . 2 . 1 36 36 MET N N 15 120.26 . . 1 . . . . . 36 MET N . 26987 2 140 . 2 . 1 37 37 ASN H H 1 8.46 . . 1 . . . . . 37 ASN H . 26987 2 141 . 2 . 1 37 37 ASN C C 13 174.75 . . 1 . . . . . 37 ASN C . 26987 2 142 . 2 . 1 37 37 ASN CA C 13 53.13 . . 1 . . . . . 37 ASN CA . 26987 2 143 . 2 . 1 37 37 ASN N N 15 118.71 . . 1 . . . . . 37 ASN N . 26987 2 144 . 2 . 1 38 38 LEU H H 1 8.07 . . 1 . . . . . 38 LEU H . 26987 2 145 . 2 . 1 38 38 LEU CA C 13 53.37 . . 1 . . . . . 38 LEU CA . 26987 2 146 . 2 . 1 38 38 LEU N N 15 123.22 . . 1 . . . . . 38 LEU N . 26987 2 147 . 2 . 1 39 39 PRO C C 13 177.82 . . 1 . . . . . 39 PRO C . 26987 2 148 . 2 . 1 39 39 PRO CA C 13 63.67 . . 1 . . . . . 39 PRO CA . 26987 2 149 . 2 . 1 40 40 GLY H H 1 8.58 . . 1 . . . . . 40 GLY H . 26987 2 150 . 2 . 1 40 40 GLY C C 13 174.3 . . 1 . . . . . 40 GLY C . 26987 2 151 . 2 . 1 40 40 GLY CA C 13 45.39 . . 1 . . . . . 40 GLY CA . 26987 2 152 . 2 . 1 40 40 GLY N N 15 109.35 . . 1 . . . . . 40 GLY N . 26987 2 153 . 2 . 1 41 41 LYS H H 1 8.05 . . 1 . . . . . 41 LYS H . 26987 2 154 . 2 . 1 41 41 LYS C C 13 176.22 . . 1 . . . . . 41 LYS C . 26987 2 155 . 2 . 1 41 41 LYS CA C 13 56.22 . . 1 . . . . . 41 LYS CA . 26987 2 156 . 2 . 1 41 41 LYS N N 15 120.48 . . 1 . . . . . 41 LYS N . 26987 2 157 . 2 . 1 42 42 TRP H H 1 8.28 . . 1 . . . . . 42 TRP H . 26987 2 158 . 2 . 1 42 42 TRP C C 13 175.68 . . 1 . . . . . 42 TRP C . 26987 2 159 . 2 . 1 42 42 TRP CA C 13 57.51 . . 1 . . . . . 42 TRP CA . 26987 2 160 . 2 . 1 42 42 TRP N N 15 122.17 . . 1 . . . . . 42 TRP N . 26987 2 161 . 2 . 1 43 43 LYS H H 1 7.97 . . 1 . . . . . 43 LYS H . 26987 2 162 . 2 . 1 43 43 LYS CA C 13 53.73 . . 1 . . . . . 43 LYS CA . 26987 2 163 . 2 . 1 43 43 LYS N N 15 125.25 . . 1 . . . . . 43 LYS N . 26987 2 164 . 2 . 1 44 44 PRO C C 13 176.73 . . 1 . . . . . 44 PRO C . 26987 2 165 . 2 . 1 44 44 PRO CA C 13 62.72 . . 1 . . . . . 44 PRO CA . 26987 2 166 . 2 . 1 45 45 LYS H H 1 8.5 . . 1 . . . . . 45 LYS H . 26987 2 167 . 2 . 1 45 45 LYS C C 13 176.52 . . 1 . . . . . 45 LYS C . 26987 2 168 . 2 . 1 45 45 LYS CA C 13 56.3 . . 1 . . . . . 45 LYS CA . 26987 2 169 . 2 . 1 45 45 LYS N N 15 121.66 . . 1 . . . . . 45 LYS N . 26987 2 170 . 2 . 1 46 46 MET H H 1 8.53 . . 1 . . . . . 46 MET H . 26987 2 171 . 2 . 1 46 46 MET C C 13 176.06 . . 1 . . . . . 46 MET C . 26987 2 172 . 2 . 1 46 46 MET CA C 13 55.14 . . 1 . . . . . 46 MET CA . 26987 2 173 . 2 . 1 46 46 MET N N 15 122.51 . . 1 . . . . . 46 MET N . 26987 2 174 . 2 . 1 47 47 ILE H H 1 8.46 . . 1 . . . . . 47 ILE H . 26987 2 175 . 2 . 1 47 47 ILE C C 13 176.72 . . 1 . . . . . 47 ILE C . 26987 2 176 . 2 . 1 47 47 ILE CA C 13 61.19 . . 1 . . . . . 47 ILE CA . 26987 2 177 . 2 . 1 47 47 ILE N N 15 123.57 . . 1 . . . . . 47 ILE N . 26987 2 178 . 2 . 1 48 48 GLY H H 1 8.7 . . 1 . . . . . 48 GLY H . 26987 2 179 . 2 . 1 48 48 GLY C C 13 174.5 . . 1 . . . . . 48 GLY C . 26987 2 180 . 2 . 1 48 48 GLY CA C 13 45.18 . . 1 . . . . . 48 GLY CA . 26987 2 181 . 2 . 1 48 48 GLY N N 15 113.71 . . 1 . . . . . 48 GLY N . 26987 2 182 . 2 . 1 49 49 GLY H H 1 8.35 . . 1 . . . . . 49 GLY H . 26987 2 183 . 2 . 1 49 49 GLY C C 13 174.36 . . 1 . . . . . 49 GLY C . 26987 2 184 . 2 . 1 49 49 GLY CA C 13 45.07 . . 1 . . . . . 49 GLY CA . 26987 2 185 . 2 . 1 49 49 GLY N N 15 108.66 . . 1 . . . . . 49 GLY N . 26987 2 186 . 2 . 1 50 50 ILE H H 1 8.28 . . 1 . . . . . 50 ILE H . 26987 2 187 . 2 . 1 50 50 ILE C C 13 177.17 . . 1 . . . . . 50 ILE C . 26987 2 188 . 2 . 1 50 50 ILE CA C 13 61.52 . . 1 . . . . . 50 ILE CA . 26987 2 189 . 2 . 1 50 50 ILE N N 15 120.15 . . 1 . . . . . 50 ILE N . 26987 2 190 . 2 . 1 51 51 GLY H H 1 8.72 . . 1 . . . . . 51 GLY H . 26987 2 191 . 2 . 1 51 51 GLY C C 13 174.55 . . 1 . . . . . 51 GLY C . 26987 2 192 . 2 . 1 51 51 GLY CA C 13 45.3 . . 1 . . . . . 51 GLY CA . 26987 2 193 . 2 . 1 51 51 GLY N N 15 113.2 . . 1 . . . . . 51 GLY N . 26987 2 194 . 2 . 1 52 52 GLY H H 1 8.23 . . 1 . . . . . 52 GLY H . 26987 2 195 . 2 . 1 52 52 GLY C C 13 173.69 . . 1 . . . . . 52 GLY C . 26987 2 196 . 2 . 1 52 52 GLY CA C 13 45.02 . . 1 . . . . . 52 GLY CA . 26987 2 197 . 2 . 1 52 52 GLY N N 15 108.63 . . 1 . . . . . 52 GLY N . 26987 2 198 . 2 . 1 53 53 PHE H H 1 8.21 . . 1 . . . . . 53 PHE H . 26987 2 199 . 2 . 1 53 53 PHE C C 13 175.61 . . 1 . . . . . 53 PHE C . 26987 2 200 . 2 . 1 53 53 PHE CA C 13 57.84 . . 1 . . . . . 53 PHE CA . 26987 2 201 . 2 . 1 53 53 PHE N N 15 120.05 . . 1 . . . . . 53 PHE N . 26987 2 202 . 2 . 1 54 54 ILE H H 1 8.23 . . 1 . . . . . 54 ILE H . 26987 2 203 . 2 . 1 54 54 ILE C C 13 175.52 . . 1 . . . . . 54 ILE C . 26987 2 204 . 2 . 1 54 54 ILE CA C 13 60.67 . . 1 . . . . . 54 ILE CA . 26987 2 205 . 2 . 1 54 54 ILE N N 15 123.89 . . 1 . . . . . 54 ILE N . 26987 2 206 . 2 . 1 55 55 LYS H H 1 8.47 . . 1 . . . . . 55 LYS H . 26987 2 207 . 2 . 1 55 55 LYS C C 13 176.35 . . 1 . . . . . 55 LYS C . 26987 2 208 . 2 . 1 55 55 LYS CA C 13 56.25 . . 1 . . . . . 55 LYS CA . 26987 2 209 . 2 . 1 55 55 LYS N N 15 126.64 . . 1 . . . . . 55 LYS N . 26987 2 210 . 2 . 1 56 56 VAL H H 1 8.36 . . 1 . . . . . 56 VAL H . 26987 2 211 . 2 . 1 56 56 VAL C C 13 175.99 . . 1 . . . . . 56 VAL C . 26987 2 212 . 2 . 1 56 56 VAL CA C 13 62.22 . . 1 . . . . . 56 VAL CA . 26987 2 213 . 2 . 1 56 56 VAL N N 15 123.01 . . 1 . . . . . 56 VAL N . 26987 2 214 . 2 . 1 57 57 ARG H H 1 8.56 . . 1 . . . . . 57 ARG H . 26987 2 215 . 2 . 1 57 57 ARG C C 13 175.78 . . 1 . . . . . 57 ARG C . 26987 2 216 . 2 . 1 57 57 ARG CA C 13 56.04 . . 1 . . . . . 57 ARG CA . 26987 2 217 . 2 . 1 57 57 ARG N N 15 125.76 . . 1 . . . . . 57 ARG N . 26987 2 218 . 2 . 1 58 58 GLN H H 1 8.52 . . 1 . . . . . 58 GLN H . 26987 2 219 . 2 . 1 58 58 GLN C C 13 175.67 . . 1 . . . . . 58 GLN C . 26987 2 220 . 2 . 1 58 58 GLN CA C 13 55.75 . . 1 . . . . . 58 GLN CA . 26987 2 221 . 2 . 1 58 58 GLN N N 15 122.52 . . 1 . . . . . 58 GLN N . 26987 2 222 . 2 . 1 59 59 TYR H H 1 8.43 . . 1 . . . . . 59 TYR H . 26987 2 223 . 2 . 1 59 59 TYR C C 13 175.55 . . 1 . . . . . 59 TYR C . 26987 2 224 . 2 . 1 59 59 TYR CA C 13 57.82 . . 1 . . . . . 59 TYR CA . 26987 2 225 . 2 . 1 59 59 TYR N N 15 121.27 . . 1 . . . . . 59 TYR N . 26987 2 226 . 2 . 1 60 60 ASP H H 1 8.4 . . 1 . . . . . 60 ASP H . 26987 2 227 . 2 . 1 60 60 ASP C C 13 175.89 . . 1 . . . . . 60 ASP C . 26987 2 228 . 2 . 1 60 60 ASP CA C 13 54.39 . . 1 . . . . . 60 ASP CA . 26987 2 229 . 2 . 1 60 60 ASP N N 15 121.62 . . 1 . . . . . 60 ASP N . 26987 2 230 . 2 . 1 61 61 GLN H H 1 8.31 . . 1 . . . . . 61 GLN H . 26987 2 231 . 2 . 1 61 61 GLN C C 13 175.74 . . 1 . . . . . 61 GLN C . 26987 2 232 . 2 . 1 61 61 GLN CA C 13 55.48 . . 1 . . . . . 61 GLN CA . 26987 2 233 . 2 . 1 61 61 GLN N N 15 120.07 . . 1 . . . . . 61 GLN N . 26987 2 234 . 2 . 1 62 62 ILE H H 1 8.37 . . 1 . . . . . 62 ILE H . 26987 2 235 . 2 . 1 62 62 ILE CA C 13 58.97 . . 1 . . . . . 62 ILE CA . 26987 2 236 . 2 . 1 62 62 ILE N N 15 124.77 . . 1 . . . . . 62 ILE N . 26987 2 237 . 2 . 1 63 63 PRO C C 13 176.87 . . 1 . . . . . 63 PRO C . 26987 2 238 . 2 . 1 63 63 PRO CA C 13 63.18 . . 1 . . . . . 63 PRO CA . 26987 2 239 . 2 . 1 64 64 VAL H H 1 8.38 . . 1 . . . . . 64 VAL H . 26987 2 240 . 2 . 1 64 64 VAL C C 13 176.35 . . 1 . . . . . 64 VAL C . 26987 2 241 . 2 . 1 64 64 VAL CA C 13 62.56 . . 1 . . . . . 64 VAL CA . 26987 2 242 . 2 . 1 64 64 VAL N N 15 121.38 . . 1 . . . . . 64 VAL N . 26987 2 243 . 2 . 1 65 65 GLU H H 1 8.65 . . 1 . . . . . 65 GLU H . 26987 2 244 . 2 . 1 65 65 GLU C C 13 176.39 . . 1 . . . . . 65 GLU C . 26987 2 245 . 2 . 1 65 65 GLU CA C 13 56.35 . . 1 . . . . . 65 GLU CA . 26987 2 246 . 2 . 1 65 65 GLU N N 15 125.27 . . 1 . . . . . 65 GLU N . 26987 2 247 . 2 . 1 66 66 ILE H H 1 8.43 . . 1 . . . . . 66 ILE H . 26987 2 248 . 2 . 1 66 66 ILE C C 13 176.25 . . 1 . . . . . 66 ILE C . 26987 2 249 . 2 . 1 66 66 ILE CA C 13 61.04 . . 1 . . . . . 66 ILE CA . 26987 2 250 . 2 . 1 66 66 ILE N N 15 123.53 . . 1 . . . . . 66 ILE N . 26987 2 251 . 2 . 1 67 67 ALA H H 1 8.59 . . 1 . . . . . 67 ALA H . 26987 2 252 . 2 . 1 67 67 ALA C C 13 178.36 . . 1 . . . . . 67 ALA C . 26987 2 253 . 2 . 1 67 67 ALA CA C 13 52.97 . . 1 . . . . . 67 ALA CA . 26987 2 254 . 2 . 1 67 67 ALA N N 15 128.63 . . 1 . . . . . 67 ALA N . 26987 2 255 . 2 . 1 68 68 GLY H H 1 8.54 . . 1 . . . . . 68 GLY H . 26987 2 256 . 2 . 1 68 68 GLY C C 13 174.07 . . 1 . . . . . 68 GLY C . 26987 2 257 . 2 . 1 68 68 GLY CA C 13 45.16 . . 1 . . . . . 68 GLY CA . 26987 2 258 . 2 . 1 68 68 GLY N N 15 112.35 . . 1 . . . . . 68 GLY N . 26987 2 259 . 2 . 1 69 69 HIS H H 1 8.36 . . 1 . . . . . 69 HIS H . 26987 2 260 . 2 . 1 69 69 HIS C C 13 174.62 . . 1 . . . . . 69 HIS C . 26987 2 261 . 2 . 1 69 69 HIS CA C 13 55.54 . . 1 . . . . . 69 HIS CA . 26987 2 262 . 2 . 1 69 69 HIS N N 15 118.55 . . 1 . . . . . 69 HIS N . 26987 2 263 . 2 . 1 70 70 LYS H H 1 8.49 . . 1 . . . . . 70 LYS H . 26987 2 264 . 2 . 1 70 70 LYS C C 13 176.09 . . 1 . . . . . 70 LYS C . 26987 2 265 . 2 . 1 70 70 LYS CA C 13 56.13 . . 1 . . . . . 70 LYS CA . 26987 2 266 . 2 . 1 70 70 LYS N N 15 123.56 . . 1 . . . . . 70 LYS N . 26987 2 267 . 2 . 1 71 71 ALA H H 1 8.57 . . 1 . . . . . 71 ALA H . 26987 2 268 . 2 . 1 71 71 ALA C C 13 177.79 . . 1 . . . . . 71 ALA C . 26987 2 269 . 2 . 1 71 71 ALA CA C 13 52.33 . . 1 . . . . . 71 ALA CA . 26987 2 270 . 2 . 1 71 71 ALA N N 15 126.5 . . 1 . . . . . 71 ALA N . 26987 2 271 . 2 . 1 72 72 ILE H H 1 8.41 . . 1 . . . . . 72 ILE H . 26987 2 272 . 2 . 1 72 72 ILE C C 13 176.91 . . 1 . . . . . 72 ILE C . 26987 2 273 . 2 . 1 72 72 ILE CA C 13 61.33 . . 1 . . . . . 72 ILE CA . 26987 2 274 . 2 . 1 72 72 ILE N N 15 121.41 . . 1 . . . . . 72 ILE N . 26987 2 275 . 2 . 1 73 73 GLY H H 1 8.63 . . 1 . . . . . 73 GLY H . 26987 2 276 . 2 . 1 73 73 GLY C C 13 174.08 . . 1 . . . . . 73 GLY C . 26987 2 277 . 2 . 1 73 73 GLY CA C 13 45.12 . . 1 . . . . . 73 GLY CA . 26987 2 278 . 2 . 1 73 73 GLY N N 15 113.24 . . 1 . . . . . 73 GLY N . 26987 2 279 . 2 . 1 74 74 THR H H 1 8.21 . . 1 . . . . . 74 THR H . 26987 2 280 . 2 . 1 74 74 THR C C 13 174.43 . . 1 . . . . . 74 THR C . 26987 2 281 . 2 . 1 74 74 THR CA C 13 62.08 . . 1 . . . . . 74 THR CA . 26987 2 282 . 2 . 1 74 74 THR N N 15 115.2 . . 1 . . . . . 74 THR N . 26987 2 283 . 2 . 1 75 75 VAL H H 1 8.39 . . 1 . . . . . 75 VAL H . 26987 2 284 . 2 . 1 75 75 VAL C C 13 175.84 . . 1 . . . . . 75 VAL C . 26987 2 285 . 2 . 1 75 75 VAL CA C 13 62.31 . . 1 . . . . . 75 VAL CA . 26987 2 286 . 2 . 1 75 75 VAL N N 15 124.4 . . 1 . . . . . 75 VAL N . 26987 2 287 . 2 . 1 76 76 LEU H H 1 8.57 . . 1 . . . . . 76 LEU H . 26987 2 288 . 2 . 1 76 76 LEU C C 13 177.03 . . 1 . . . . . 76 LEU C . 26987 2 289 . 2 . 1 76 76 LEU CA C 13 54.95 . . 1 . . . . . 76 LEU CA . 26987 2 290 . 2 . 1 76 76 LEU N N 15 127.76 . . 1 . . . . . 76 LEU N . 26987 2 291 . 2 . 1 77 77 VAL H H 1 8.37 . . 1 . . . . . 77 VAL H . 26987 2 292 . 2 . 1 77 77 VAL C C 13 176.21 . . 1 . . . . . 77 VAL C . 26987 2 293 . 2 . 1 77 77 VAL CA C 13 62.17 . . 1 . . . . . 77 VAL CA . 26987 2 294 . 2 . 1 77 77 VAL N N 15 123 . . 1 . . . . . 77 VAL N . 26987 2 295 . 2 . 1 78 78 GLY H H 1 8.49 . . 1 . . . . . 78 GLY H . 26987 2 296 . 2 . 1 78 78 GLY CA C 13 44.42 . . 1 . . . . . 78 GLY CA . 26987 2 297 . 2 . 1 78 78 GLY N N 15 113.65 . . 1 . . . . . 78 GLY N . 26987 2 298 . 2 . 1 79 79 PRO C C 13 177.18 . . 1 . . . . . 79 PRO C . 26987 2 299 . 2 . 1 79 79 PRO CA C 13 62.83 . . 1 . . . . . 79 PRO CA . 26987 2 300 . 2 . 1 80 80 THR H H 1 8.52 . . 1 . . . . . 80 THR H . 26987 2 301 . 2 . 1 80 80 THR CA C 13 60.26 . . 1 . . . . . 80 THR CA . 26987 2 302 . 2 . 1 80 80 THR N N 15 118.6 . . 1 . . . . . 80 THR N . 26987 2 303 . 2 . 1 81 81 PRO C C 13 176.87 . . 1 . . . . . 81 PRO C . 26987 2 304 . 2 . 1 81 81 PRO CA C 13 63.18 . . 1 . . . . . 81 PRO CA . 26987 2 305 . 2 . 1 82 82 VAL H H 1 8.4 . . 1 . . . . . 82 VAL H . 26987 2 306 . 2 . 1 82 82 VAL C C 13 175.92 . . 1 . . . . . 82 VAL C . 26987 2 307 . 2 . 1 82 82 VAL CA C 13 62.38 . . 1 . . . . . 82 VAL CA . 26987 2 308 . 2 . 1 82 82 VAL N N 15 120.83 . . 1 . . . . . 82 VAL N . 26987 2 309 . 2 . 1 83 83 ASN H H 1 8.62 . . 1 . . . . . 83 ASN H . 26987 2 310 . 2 . 1 83 83 ASN C C 13 174.94 . . 1 . . . . . 83 ASN C . 26987 2 311 . 2 . 1 83 83 ASN CA C 13 53.06 . . 1 . . . . . 83 ASN CA . 26987 2 312 . 2 . 1 83 83 ASN N N 15 122.9 . . 1 . . . . . 83 ASN N . 26987 2 313 . 2 . 1 84 84 ILE H H 1 8.33 . . 1 . . . . . 84 ILE H . 26987 2 314 . 2 . 1 84 84 ILE C C 13 176.35 . . 1 . . . . . 84 ILE C . 26987 2 315 . 2 . 1 84 84 ILE CA C 13 61.18 . . 1 . . . . . 84 ILE CA . 26987 2 316 . 2 . 1 84 84 ILE N N 15 122.41 . . 1 . . . . . 84 ILE N . 26987 2 317 . 2 . 1 85 85 ILE H H 1 8.36 . . 1 . . . . . 85 ILE H . 26987 2 318 . 2 . 1 85 85 ILE C C 13 176.97 . . 1 . . . . . 85 ILE C . 26987 2 319 . 2 . 1 85 85 ILE CA C 13 61.48 . . 1 . . . . . 85 ILE CA . 26987 2 320 . 2 . 1 85 85 ILE N N 15 125.89 . . 1 . . . . . 85 ILE N . 26987 2 321 . 2 . 1 86 86 GLY H H 1 8.63 . . 1 . . . . . 86 GLY H . 26987 2 322 . 2 . 1 86 86 GLY C C 13 174.17 . . 1 . . . . . 86 GLY C . 26987 2 323 . 2 . 1 86 86 GLY CA C 13 45.32 . . 1 . . . . . 86 GLY CA . 26987 2 324 . 2 . 1 86 86 GLY N N 15 113.42 . . 1 . . . . . 86 GLY N . 26987 2 325 . 2 . 1 87 87 ARG H H 1 8.25 . . 1 . . . . . 87 ARG H . 26987 2 326 . 2 . 1 87 87 ARG C C 13 176.09 . . 1 . . . . . 87 ARG C . 26987 2 327 . 2 . 1 87 87 ARG CA C 13 56.22 . . 1 . . . . . 87 ARG CA . 26987 2 328 . 2 . 1 87 87 ARG N N 15 120.74 . . 1 . . . . . 87 ARG N . 26987 2 329 . 2 . 1 88 88 ASN H H 1 8.66 . . 1 . . . . . 88 ASN H . 26987 2 330 . 2 . 1 88 88 ASN C C 13 175.31 . . 1 . . . . . 88 ASN C . 26987 2 331 . 2 . 1 88 88 ASN CA C 13 53.32 . . 1 . . . . . 88 ASN CA . 26987 2 332 . 2 . 1 88 88 ASN N N 15 119.98 . . 1 . . . . . 88 ASN N . 26987 2 333 . 2 . 1 89 89 LEU H H 1 8.4 . . 1 . . . . . 89 LEU H . 26987 2 334 . 2 . 1 89 89 LEU C C 13 177.65 . . 1 . . . . . 89 LEU C . 26987 2 335 . 2 . 1 89 89 LEU CA C 13 55.51 . . 1 . . . . . 89 LEU CA . 26987 2 336 . 2 . 1 89 89 LEU N N 15 122.78 . . 1 . . . . . 89 LEU N . 26987 2 337 . 2 . 1 90 90 LEU H H 1 8.32 . . 1 . . . . . 90 LEU H . 26987 2 338 . 2 . 1 90 90 LEU C C 13 177.72 . . 1 . . . . . 90 LEU C . 26987 2 339 . 2 . 1 90 90 LEU CA C 13 55.37 . . 1 . . . . . 90 LEU CA . 26987 2 340 . 2 . 1 90 90 LEU N N 15 121.79 . . 1 . . . . . 90 LEU N . 26987 2 341 . 2 . 1 91 91 THR H H 1 8.05 . . 1 . . . . . 91 THR H . 26987 2 342 . 2 . 1 91 91 THR C C 13 174.34 . . 1 . . . . . 91 THR C . 26987 2 343 . 2 . 1 91 91 THR CA C 13 61.93 . . 1 . . . . . 91 THR CA . 26987 2 344 . 2 . 1 91 91 THR N N 15 114.47 . . 1 . . . . . 91 THR N . 26987 2 345 . 2 . 1 92 92 GLN H H 1 8.45 . . 1 . . . . . 92 GLN H . 26987 2 346 . 2 . 1 92 92 GLN C C 13 175.78 . . 1 . . . . . 92 GLN C . 26987 2 347 . 2 . 1 92 92 GLN CA C 13 55.61 . . 1 . . . . . 92 GLN CA . 26987 2 348 . 2 . 1 92 92 GLN N N 15 123.23 . . 1 . . . . . 92 GLN N . 26987 2 349 . 2 . 1 93 93 ILE H H 1 8.42 . . 1 . . . . . 93 ILE H . 26987 2 350 . 2 . 1 93 93 ILE C C 13 176.89 . . 1 . . . . . 93 ILE C . 26987 2 351 . 2 . 1 93 93 ILE CA C 13 61.51 . . 1 . . . . . 93 ILE CA . 26987 2 352 . 2 . 1 93 93 ILE N N 15 123.33 . . 1 . . . . . 93 ILE N . 26987 2 353 . 2 . 1 94 94 GLY H H 1 8.68 . . 1 . . . . . 94 GLY H . 26987 2 354 . 2 . 1 94 94 GLY C C 13 172.9 . . 1 . . . . . 94 GLY C . 26987 2 355 . 2 . 1 94 94 GLY CA C 13 45.19 . . 1 . . . . . 94 GLY CA . 26987 2 356 . 2 . 1 94 94 GLY N N 15 114.5 . . 1 . . . . . 94 GLY N . 26987 2 357 . 2 . 1 95 95 ALA H H 1 7.96 . . 1 . . . . . 95 ALA H . 26987 2 358 . 2 . 1 95 95 ALA CA C 13 53.78 . . 1 . . . . . 95 ALA CA . 26987 2 359 . 2 . 1 95 95 ALA N N 15 129.51 . . 1 . . . . . 95 ALA N . 26987 2 stop_ save_