data_53204 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53204 _Entry.Title ; Backbone assignment of the N-terminal domain of the human ATP Synthase OSCP subunit. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-27 _Entry.Accession_date 2025-05-27 _Entry.Last_release_date 2025-05-27 _Entry.Original_release_date 2025-05-27 _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 Simone Fabbian . . . . 53204 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53204 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 53204 '15N chemical shifts' 102 53204 '1H chemical shifts' 102 53204 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 . . 2025-11-18 2025-05-27 update author 'update assignments' 53204 1 . . 2025-11-08 2025-05-27 original author 'original release' 53204 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53202 'OSCP_CT trimer' 53204 BMRB 53208 'OSCP_CT with bCT peptide' 53204 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53204 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40482958 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The OSCP Subunit of ATP Synthase is a Dimer in Solution: Strategy to Induce the Monomeric Protein as a New Tool for Drug Discovery ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 437 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 169267 _Citation.Page_last 169267 _Citation.Year 2025 _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 Simone Fabbian . . . . 53204 1 2 Laura Gabbatore . . . . 53204 1 3 Laura Morbiato . . . . 53204 1 4 Marta 'de Zotti' . . . . 53204 1 5 Valentina Giorgio . . . . 53204 1 6 Roberto Battistutta . . . . 53204 1 7 Gabriele Giachin . . . . 53204 1 8 Alice Sosic . . . . 53204 1 9 Massimo Bellanda . . . . 53204 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ATP synthase' 53204 1 'Mitochondrial Permeability Transition' 53204 1 OSCP 53204 1 'protein NMR' 53204 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53204 _Assembly.ID 1 _Assembly.Name OSCP_NT _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 OSCP_NT 1 $entity_1 . . yes native no no . . . 53204 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53204 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RPPVQVYGIEGRYATALYSA ASKQNKLEQVEKELLRVAQI LKEPKVAASVLNPYVKRSIK VKSLNDITAKERFSPLTTNL INLLAENGRLSNTQGVVSAF STMMSVHRG ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 6 ARG . 53204 1 2 7 PRO . 53204 1 3 8 PRO . 53204 1 4 9 VAL . 53204 1 5 10 GLN . 53204 1 6 11 VAL . 53204 1 7 12 TYR . 53204 1 8 13 GLY . 53204 1 9 14 ILE . 53204 1 10 15 GLU . 53204 1 11 16 GLY . 53204 1 12 17 ARG . 53204 1 13 18 TYR . 53204 1 14 19 ALA . 53204 1 15 20 THR . 53204 1 16 21 ALA . 53204 1 17 22 LEU . 53204 1 18 23 TYR . 53204 1 19 24 SER . 53204 1 20 25 ALA . 53204 1 21 26 ALA . 53204 1 22 27 SER . 53204 1 23 28 LYS . 53204 1 24 29 GLN . 53204 1 25 30 ASN . 53204 1 26 31 LYS . 53204 1 27 32 LEU . 53204 1 28 33 GLU . 53204 1 29 34 GLN . 53204 1 30 35 VAL . 53204 1 31 36 GLU . 53204 1 32 37 LYS . 53204 1 33 38 GLU . 53204 1 34 39 LEU . 53204 1 35 40 LEU . 53204 1 36 41 ARG . 53204 1 37 42 VAL . 53204 1 38 43 ALA . 53204 1 39 44 GLN . 53204 1 40 45 ILE . 53204 1 41 46 LEU . 53204 1 42 47 LYS . 53204 1 43 48 GLU . 53204 1 44 49 PRO . 53204 1 45 50 LYS . 53204 1 46 51 VAL . 53204 1 47 52 ALA . 53204 1 48 53 ALA . 53204 1 49 54 SER . 53204 1 50 55 VAL . 53204 1 51 56 LEU . 53204 1 52 57 ASN . 53204 1 53 58 PRO . 53204 1 54 59 TYR . 53204 1 55 60 VAL . 53204 1 56 61 LYS . 53204 1 57 62 ARG . 53204 1 58 63 SER . 53204 1 59 64 ILE . 53204 1 60 65 LYS . 53204 1 61 66 VAL . 53204 1 62 67 LYS . 53204 1 63 68 SER . 53204 1 64 69 LEU . 53204 1 65 70 ASN . 53204 1 66 71 ASP . 53204 1 67 72 ILE . 53204 1 68 73 THR . 53204 1 69 74 ALA . 53204 1 70 75 LYS . 53204 1 71 76 GLU . 53204 1 72 77 ARG . 53204 1 73 78 PHE . 53204 1 74 79 SER . 53204 1 75 80 PRO . 53204 1 76 81 LEU . 53204 1 77 82 THR . 53204 1 78 83 THR . 53204 1 79 84 ASN . 53204 1 80 85 LEU . 53204 1 81 86 ILE . 53204 1 82 87 ASN . 53204 1 83 88 LEU . 53204 1 84 89 LEU . 53204 1 85 90 ALA . 53204 1 86 91 GLU . 53204 1 87 92 ASN . 53204 1 88 93 GLY . 53204 1 89 94 ARG . 53204 1 90 95 LEU . 53204 1 91 96 SER . 53204 1 92 97 ASN . 53204 1 93 98 THR . 53204 1 94 99 GLN . 53204 1 95 100 GLY . 53204 1 96 101 VAL . 53204 1 97 102 VAL . 53204 1 98 103 SER . 53204 1 99 104 ALA . 53204 1 100 105 PHE . 53204 1 101 106 SER . 53204 1 102 107 THR . 53204 1 103 108 MET . 53204 1 104 109 MET . 53204 1 105 110 SER . 53204 1 106 111 VAL . 53204 1 107 112 HIS . 53204 1 108 113 ARG . 53204 1 109 114 GLY . 53204 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 . ARG 1 1 53204 1 . PRO 2 2 53204 1 . PRO 3 3 53204 1 . VAL 4 4 53204 1 . GLN 5 5 53204 1 . VAL 6 6 53204 1 . TYR 7 7 53204 1 . GLY 8 8 53204 1 . ILE 9 9 53204 1 . GLU 10 10 53204 1 . GLY 11 11 53204 1 . ARG 12 12 53204 1 . TYR 13 13 53204 1 . ALA 14 14 53204 1 . THR 15 15 53204 1 . ALA 16 16 53204 1 . LEU 17 17 53204 1 . TYR 18 18 53204 1 . SER 19 19 53204 1 . ALA 20 20 53204 1 . ALA 21 21 53204 1 . SER 22 22 53204 1 . LYS 23 23 53204 1 . GLN 24 24 53204 1 . ASN 25 25 53204 1 . LYS 26 26 53204 1 . LEU 27 27 53204 1 . GLU 28 28 53204 1 . GLN 29 29 53204 1 . VAL 30 30 53204 1 . GLU 31 31 53204 1 . LYS 32 32 53204 1 . GLU 33 33 53204 1 . LEU 34 34 53204 1 . LEU 35 35 53204 1 . ARG 36 36 53204 1 . VAL 37 37 53204 1 . ALA 38 38 53204 1 . GLN 39 39 53204 1 . ILE 40 40 53204 1 . LEU 41 41 53204 1 . LYS 42 42 53204 1 . GLU 43 43 53204 1 . PRO 44 44 53204 1 . LYS 45 45 53204 1 . VAL 46 46 53204 1 . ALA 47 47 53204 1 . ALA 48 48 53204 1 . SER 49 49 53204 1 . VAL 50 50 53204 1 . LEU 51 51 53204 1 . ASN 52 52 53204 1 . PRO 53 53 53204 1 . TYR 54 54 53204 1 . VAL 55 55 53204 1 . LYS 56 56 53204 1 . ARG 57 57 53204 1 . SER 58 58 53204 1 . ILE 59 59 53204 1 . LYS 60 60 53204 1 . VAL 61 61 53204 1 . LYS 62 62 53204 1 . SER 63 63 53204 1 . LEU 64 64 53204 1 . ASN 65 65 53204 1 . ASP 66 66 53204 1 . ILE 67 67 53204 1 . THR 68 68 53204 1 . ALA 69 69 53204 1 . LYS 70 70 53204 1 . GLU 71 71 53204 1 . ARG 72 72 53204 1 . PHE 73 73 53204 1 . SER 74 74 53204 1 . PRO 75 75 53204 1 . LEU 76 76 53204 1 . THR 77 77 53204 1 . THR 78 78 53204 1 . ASN 79 79 53204 1 . LEU 80 80 53204 1 . ILE 81 81 53204 1 . ASN 82 82 53204 1 . LEU 83 83 53204 1 . LEU 84 84 53204 1 . ALA 85 85 53204 1 . GLU 86 86 53204 1 . ASN 87 87 53204 1 . GLY 88 88 53204 1 . ARG 89 89 53204 1 . LEU 90 90 53204 1 . SER 91 91 53204 1 . ASN 92 92 53204 1 . THR 93 93 53204 1 . GLN 94 94 53204 1 . GLY 95 95 53204 1 . VAL 96 96 53204 1 . VAL 97 97 53204 1 . SER 98 98 53204 1 . ALA 99 99 53204 1 . PHE 100 100 53204 1 . SER 101 101 53204 1 . THR 102 102 53204 1 . MET 103 103 53204 1 . MET 104 104 53204 1 . SER 105 105 53204 1 . VAL 106 106 53204 1 . HIS 107 107 53204 1 . ARG 108 108 53204 1 . GLY 109 109 53204 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53204 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53204 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53204 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . BL21(DE3). . plasmid . . 'ChampionTM pET SUMO' . . . 53204 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53204 _Sample.ID 1 _Sample.Name 13C,15N-OSCP_NT _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '50 mM phosphate, 200 mM NaCl, 50 mM L-glutamic acid, 50 mM L-arginine' _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 OSCP_NT '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 53204 1 2 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 53204 1 3 'L-glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 53204 1 4 L-arginine 'natural abundance' . . . . . . 50 . . mM . . . . 53204 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 53204 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 53204 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'OSCP_NT 3Dexp' _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' 450 . mM 53204 1 pH 7.0 . pH 53204 1 pressure 1 . atm 53204 1 temperature 298 . K 53204 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53204 _Software.ID 1 _Software.Type . _Software.Name 'Bruker Topspin' _Software.Version 4.0.6 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53204 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53204 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53204 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53204 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53204 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53204 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53204 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53204 1 4 '3D HNCACB' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53204 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53204 1 6 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53204 1 7 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53204 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53204 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name OSCP_NT _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 na indirect . . . . . . 53204 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 53204 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 53204 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53204 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone OSCP_NT' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 53204 1 3 '3D HNCA' . . . 53204 1 4 '3D HNCACB' . . . 53204 1 5 '3D HN(CA)CO' . . . 53204 1 6 '3D HN(CO)CA' . . . 53204 1 7 '3D HN(CO)CACB' . . . 53204 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 53204 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 4 4 VAL H H 1 7.843 0 . . . . . . . 9 VAL H . 53204 1 2 . 1 . 1 4 4 VAL C C 13 172.68 0 . . . . . . . 9 VAL C . 53204 1 3 . 1 . 1 4 4 VAL CA C 13 62.204 0 . . . . . . . 9 VAL CA . 53204 1 4 . 1 . 1 4 4 VAL CB C 13 32.934 0 . . . . . . . 9 VAL CB . 53204 1 5 . 1 . 1 4 4 VAL N N 15 119.1 0 . . . . . . . 9 VAL N . 53204 1 6 . 1 . 1 5 5 GLN H H 1 8.215 0 . . . . . . . 10 GLN H . 53204 1 7 . 1 . 1 5 5 GLN C C 13 172.456 0 . . . . . . . 10 GLN C . 53204 1 8 . 1 . 1 5 5 GLN CA C 13 55.732 0 . . . . . . . 10 GLN CA . 53204 1 9 . 1 . 1 5 5 GLN CB C 13 29.776 0 . . . . . . . 10 GLN CB . 53204 1 10 . 1 . 1 5 5 GLN N N 15 124.017 0 . . . . . . . 10 GLN N . 53204 1 11 . 1 . 1 6 6 VAL H H 1 7.855 0 . . . . . . . 11 VAL H . 53204 1 12 . 1 . 1 6 6 VAL C C 13 172.605 0 . . . . . . . 11 VAL C . 53204 1 13 . 1 . 1 6 6 VAL CA C 13 61.645 0 . . . . . . . 11 VAL CA . 53204 1 14 . 1 . 1 6 6 VAL CB C 13 33.398 0 . . . . . . . 11 VAL CB . 53204 1 15 . 1 . 1 6 6 VAL N N 15 120.121 0 . . . . . . . 11 VAL N . 53204 1 16 . 1 . 1 7 7 TYR H H 1 8.28 0 . . . . . . . 12 TYR H . 53204 1 17 . 1 . 1 7 7 TYR C C 13 173.966 0 . . . . . . . 12 TYR C . 53204 1 18 . 1 . 1 7 7 TYR CA C 13 58.089 0 . . . . . . . 12 TYR CA . 53204 1 19 . 1 . 1 7 7 TYR CB C 13 40.217 0 . . . . . . . 12 TYR CB . 53204 1 20 . 1 . 1 7 7 TYR N N 15 122.32 0 . . . . . . . 12 TYR N . 53204 1 21 . 1 . 1 8 8 GLY H H 1 8.314 0 . . . . . . . 13 GLY H . 53204 1 22 . 1 . 1 8 8 GLY CA C 13 45.344 0 . . . . . . . 13 GLY CA . 53204 1 23 . 1 . 1 8 8 GLY N N 15 109.596 0 . . . . . . . 13 GLY N . 53204 1 24 . 1 . 1 9 9 ILE H H 1 8.435 0 . . . . . . . 14 ILE H . 53204 1 25 . 1 . 1 9 9 ILE CA C 13 64.002 0 . . . . . . . 14 ILE CA . 53204 1 26 . 1 . 1 9 9 ILE N N 15 121.786 0 . . . . . . . 14 ILE N . 53204 1 27 . 1 . 1 10 10 GLU H H 1 9.293 0 . . . . . . . 15 GLU H . 53204 1 28 . 1 . 1 10 10 GLU C C 13 175.987 0 . . . . . . . 15 GLU C . 53204 1 29 . 1 . 1 10 10 GLU CA C 13 61.165 0 . . . . . . . 15 GLU CA . 53204 1 30 . 1 . 1 10 10 GLU CB C 13 28.018 0 . . . . . . . 15 GLU CB . 53204 1 31 . 1 . 1 10 10 GLU N N 15 120.225 0 . . . . . . . 15 GLU N . 53204 1 32 . 1 . 1 11 11 GLY H H 1 7.729 0 . . . . . . . 16 GLY H . 53204 1 33 . 1 . 1 11 11 GLY CA C 13 47.221 0 . . . . . . . 16 GLY CA . 53204 1 34 . 1 . 1 11 11 GLY N N 15 105.609 0 . . . . . . . 16 GLY N . 53204 1 35 . 1 . 1 12 12 ARG H H 1 7.933 0 . . . . . . . 17 ARG H . 53204 1 36 . 1 . 1 12 12 ARG C C 13 174.582 0 . . . . . . . 17 ARG C . 53204 1 37 . 1 . 1 12 12 ARG CA C 13 59.927 0 . . . . . . . 17 ARG CA . 53204 1 38 . 1 . 1 12 12 ARG CB C 13 29.563 0 . . . . . . . 17 ARG CB . 53204 1 39 . 1 . 1 12 12 ARG N N 15 123.884 0 . . . . . . . 17 ARG N . 53204 1 40 . 1 . 1 13 13 TYR H H 1 8.046 0 . . . . . . . 18 TYR H . 53204 1 41 . 1 . 1 13 13 TYR CA C 13 62.484 0 . . . . . . . 18 TYR CA . 53204 1 42 . 1 . 1 13 13 TYR CB C 13 32.759 0 . . . . . . . 18 TYR CB . 53204 1 43 . 1 . 1 13 13 TYR N N 15 119.982 0 . . . . . . . 18 TYR N . 53204 1 44 . 1 . 1 14 14 ALA H H 1 8.321 0 . . . . . . . 19 ALA H . 53204 1 45 . 1 . 1 14 14 ALA C C 13 175.999 0 . . . . . . . 19 ALA C . 53204 1 46 . 1 . 1 14 14 ALA CA C 13 56.251 0 . . . . . . . 19 ALA CA . 53204 1 47 . 1 . 1 14 14 ALA CB C 13 19.441 0 . . . . . . . 19 ALA CB . 53204 1 48 . 1 . 1 14 14 ALA N N 15 120.426 0 . . . . . . . 19 ALA N . 53204 1 49 . 1 . 1 15 15 THR H H 1 8.465 0 . . . . . . . 20 THR H . 53204 1 50 . 1 . 1 15 15 THR CA C 13 67.478 0 . . . . . . . 20 THR CA . 53204 1 51 . 1 . 1 15 15 THR CB C 13 68.879 0 . . . . . . . 20 THR CB . 53204 1 52 . 1 . 1 15 15 THR N N 15 114.523 0 . . . . . . . 20 THR N . 53204 1 53 . 1 . 1 16 16 ALA H H 1 7.522 0 . . . . . . . 21 ALA H . 53204 1 54 . 1 . 1 16 16 ALA C C 13 177.845 0 . . . . . . . 21 ALA C . 53204 1 55 . 1 . 1 16 16 ALA CA C 13 55.412 0 . . . . . . . 21 ALA CA . 53204 1 56 . 1 . 1 16 16 ALA CB C 13 18.162 0 . . . . . . . 21 ALA CB . 53204 1 57 . 1 . 1 16 16 ALA N N 15 124.663 0 . . . . . . . 21 ALA N . 53204 1 58 . 1 . 1 17 17 LEU H H 1 7.82 0 . . . . . . . 22 LEU H . 53204 1 59 . 1 . 1 17 17 LEU CA C 13 57.849 0 . . . . . . . 22 LEU CA . 53204 1 60 . 1 . 1 17 17 LEU CB C 13 42.338 0 . . . . . . . 22 LEU CB . 53204 1 61 . 1 . 1 17 17 LEU N N 15 120.567 0 . . . . . . . 22 LEU N . 53204 1 62 . 1 . 1 18 18 TYR H H 1 9.046 0 . . . . . . . 23 TYR H . 53204 1 63 . 1 . 1 18 18 TYR CA C 13 62.604 0 . . . . . . . 23 TYR CA . 53204 1 64 . 1 . 1 18 18 TYR CB C 13 39.132 0 . . . . . . . 23 TYR CB . 53204 1 65 . 1 . 1 18 18 TYR N N 15 120.724 0 . . . . . . . 23 TYR N . 53204 1 66 . 1 . 1 19 19 SER H H 1 8.523 0 . . . . . . . 24 SER H . 53204 1 67 . 1 . 1 19 19 SER CA C 13 62.244 0 . . . . . . . 24 SER CA . 53204 1 68 . 1 . 1 19 19 SER N N 15 114.803 0 . . . . . . . 24 SER N . 53204 1 69 . 1 . 1 20 20 ALA H H 1 7.734 0 . . . . . . . 25 ALA H . 53204 1 70 . 1 . 1 20 20 ALA C C 13 177.341 0 . . . . . . . 25 ALA C . 53204 1 71 . 1 . 1 20 20 ALA CA C 13 55.332 0 . . . . . . . 25 ALA CA . 53204 1 72 . 1 . 1 20 20 ALA CB C 13 19.149 0 . . . . . . . 25 ALA CB . 53204 1 73 . 1 . 1 20 20 ALA N N 15 122.67 0 . . . . . . . 25 ALA N . 53204 1 74 . 1 . 1 21 21 ALA H H 1 9.105 0 . . . . . . . 26 ALA H . 53204 1 75 . 1 . 1 21 21 ALA C C 13 177.36 0 . . . . . . . 26 ALA C . 53204 1 76 . 1 . 1 21 21 ALA CA C 13 54.972 0 . . . . . . . 26 ALA CA . 53204 1 77 . 1 . 1 21 21 ALA CB C 13 18.508 0 . . . . . . . 26 ALA CB . 53204 1 78 . 1 . 1 21 21 ALA N N 15 119.188 0 . . . . . . . 26 ALA N . 53204 1 79 . 1 . 1 22 22 SER H H 1 8.669 0 . . . . . . . 27 SER H . 53204 1 80 . 1 . 1 22 22 SER CA C 13 61.804 0 . . . . . . . 27 SER CA . 53204 1 81 . 1 . 1 22 22 SER CB C 13 63.125 0 . . . . . . . 27 SER CB . 53204 1 82 . 1 . 1 22 22 SER N N 15 115.054 0 . . . . . . . 27 SER N . 53204 1 83 . 1 . 1 23 23 LYS H H 1 7.412 0 . . . . . . . 28 LYS H . 53204 1 84 . 1 . 1 23 23 LYS C C 13 174.992 0 . . . . . . . 28 LYS C . 53204 1 85 . 1 . 1 23 23 LYS CA C 13 59.287 0 . . . . . . . 28 LYS CA . 53204 1 86 . 1 . 1 23 23 LYS CB C 13 32.759 0 . . . . . . . 28 LYS CB . 53204 1 87 . 1 . 1 23 23 LYS N N 15 121.48 0 . . . . . . . 28 LYS N . 53204 1 88 . 1 . 1 24 24 GLN H H 1 7.062 0 . . . . . . . 29 GLN H . 53204 1 89 . 1 . 1 24 24 GLN CA C 13 55.652 0 . . . . . . . 29 GLN CA . 53204 1 90 . 1 . 1 24 24 GLN CB C 13 29.728 0 . . . . . . . 29 GLN CB . 53204 1 91 . 1 . 1 24 24 GLN N N 15 113.51 0 . . . . . . . 29 GLN N . 53204 1 92 . 1 . 1 25 25 ASN H H 1 7.828 0 . . . . . . . 30 ASN H . 53204 1 93 . 1 . 1 25 25 ASN C C 13 172.81 0 . . . . . . . 30 ASN C . 53204 1 94 . 1 . 1 25 25 ASN CA C 13 54.613 0 . . . . . . . 30 ASN CA . 53204 1 95 . 1 . 1 25 25 ASN CB C 13 37.102 0 . . . . . . . 30 ASN CB . 53204 1 96 . 1 . 1 25 25 ASN N N 15 116.573 0 . . . . . . . 30 ASN N . 53204 1 97 . 1 . 1 26 26 LYS H H 1 8.158 0 . . . . . . . 31 LYS H . 53204 1 98 . 1 . 1 26 26 LYS C C 13 173.761 0 . . . . . . . 31 LYS C . 53204 1 99 . 1 . 1 26 26 LYS CA C 13 54.813 0 . . . . . . . 31 LYS CA . 53204 1 100 . 1 . 1 26 26 LYS CB C 13 34.858 0 . . . . . . . 31 LYS CB . 53204 1 101 . 1 . 1 26 26 LYS N N 15 115.761 0 . . . . . . . 31 LYS N . 53204 1 102 . 1 . 1 27 27 LEU H H 1 8.075 0 . . . . . . . 32 LEU H . 53204 1 103 . 1 . 1 27 27 LEU C C 13 175.29 0 . . . . . . . 32 LEU C . 53204 1 104 . 1 . 1 27 27 LEU CA C 13 59.967 0 . . . . . . . 32 LEU CA . 53204 1 105 . 1 . 1 27 27 LEU N N 15 120.576 0 . . . . . . . 32 LEU N . 53204 1 106 . 1 . 1 28 28 GLU H H 1 8.481 0 . . . . . . . 33 GLU H . 53204 1 107 . 1 . 1 28 28 GLU C C 13 176.633 0 . . . . . . . 33 GLU C . 53204 1 108 . 1 . 1 28 28 GLU CA C 13 60.366 0 . . . . . . . 33 GLU CA . 53204 1 109 . 1 . 1 28 28 GLU CB C 13 29.03 0 . . . . . . . 33 GLU CB . 53204 1 110 . 1 . 1 28 28 GLU N N 15 115.27 0 . . . . . . . 33 GLU N . 53204 1 111 . 1 . 1 29 29 GLN H H 1 7.881 0 . . . . . . . 34 GLN H . 53204 1 112 . 1 . 1 29 29 GLN C C 13 175.458 0 . . . . . . . 34 GLN C . 53204 1 113 . 1 . 1 29 29 GLN CA C 13 59.287 0 . . . . . . . 34 GLN CA . 53204 1 114 . 1 . 1 29 29 GLN CB C 13 28.339 0 . . . . . . . 34 GLN CB . 53204 1 115 . 1 . 1 29 29 GLN N N 15 120.143 0 . . . . . . . 34 GLN N . 53204 1 116 . 1 . 1 30 30 VAL H H 1 8.273 0 . . . . . . . 35 VAL H . 53204 1 117 . 1 . 1 30 30 VAL C C 13 174.582 0 . . . . . . . 35 VAL C . 53204 1 118 . 1 . 1 30 30 VAL CA C 13 66.639 0 . . . . . . . 35 VAL CA . 53204 1 119 . 1 . 1 30 30 VAL CB C 13 31.224 0 . . . . . . . 35 VAL CB . 53204 1 120 . 1 . 1 30 30 VAL N N 15 118.916 0 . . . . . . . 35 VAL N . 53204 1 121 . 1 . 1 31 31 GLU H H 1 8.467 0 . . . . . . . 36 GLU H . 53204 1 122 . 1 . 1 31 31 GLU C C 13 175.029 0 . . . . . . . 36 GLU C . 53204 1 123 . 1 . 1 31 31 GLU CA C 13 60.766 0 . . . . . . . 36 GLU CA . 53204 1 124 . 1 . 1 31 31 GLU CB C 13 30.202 0 . . . . . . . 36 GLU CB . 53204 1 125 . 1 . 1 31 31 GLU N N 15 119.931 0 . . . . . . . 36 GLU N . 53204 1 126 . 1 . 1 32 32 LYS H H 1 7.367 0 . . . . . . . 37 LYS H . 53204 1 127 . 1 . 1 32 32 LYS C C 13 177.472 0 . . . . . . . 37 LYS C . 53204 1 128 . 1 . 1 32 32 LYS CA C 13 60.046 0 . . . . . . . 37 LYS CA . 53204 1 129 . 1 . 1 32 32 LYS CB C 13 32.507 0 . . . . . . . 37 LYS CB . 53204 1 130 . 1 . 1 32 32 LYS N N 15 115.591 0 . . . . . . . 37 LYS N . 53204 1 131 . 1 . 1 33 33 GLU H H 1 8.057 0 . . . . . . . 38 GLU H . 53204 1 132 . 1 . 1 33 33 GLU C C 13 175.52 0 . . . . . . . 38 GLU C . 53204 1 133 . 1 . 1 33 33 GLU CA C 13 59.687 0 . . . . . . . 38 GLU CA . 53204 1 134 . 1 . 1 33 33 GLU CB C 13 29.989 0 . . . . . . . 38 GLU CB . 53204 1 135 . 1 . 1 33 33 GLU N N 15 120.17 0 . . . . . . . 38 GLU N . 53204 1 136 . 1 . 1 34 34 LEU H H 1 8.659 0 . . . . . . . 39 LEU H . 53204 1 137 . 1 . 1 34 34 LEU CA C 13 57.689 0 . . . . . . . 39 LEU CA . 53204 1 138 . 1 . 1 34 34 LEU CB C 13 41.176 0 . . . . . . . 39 LEU CB . 53204 1 139 . 1 . 1 34 34 LEU N N 15 119.476 0 . . . . . . . 39 LEU N . 53204 1 140 . 1 . 1 35 35 LEU H H 1 7.997 0 . . . . . . . 40 LEU H . 53204 1 141 . 1 . 1 35 35 LEU C C 13 177.807 0 . . . . . . . 40 LEU C . 53204 1 142 . 1 . 1 35 35 LEU CA C 13 58.209 0 . . . . . . . 40 LEU CA . 53204 1 143 . 1 . 1 35 35 LEU CB C 13 41.59 0 . . . . . . . 40 LEU CB . 53204 1 144 . 1 . 1 35 35 LEU N N 15 118.109 0 . . . . . . . 40 LEU N . 53204 1 145 . 1 . 1 36 36 ARG H H 1 7.578 0 . . . . . . . 41 ARG H . 53204 1 146 . 1 . 1 36 36 ARG C C 13 175.831 0 . . . . . . . 41 ARG C . 53204 1 147 . 1 . 1 36 36 ARG CA C 13 58.448 0 . . . . . . . 41 ARG CA . 53204 1 148 . 1 . 1 36 36 ARG CB C 13 29.137 0 . . . . . . . 41 ARG CB . 53204 1 149 . 1 . 1 36 36 ARG N N 15 120.398 0 . . . . . . . 41 ARG N . 53204 1 150 . 1 . 1 37 37 VAL H H 1 8.646 0 . . . . . . . 42 VAL H . 53204 1 151 . 1 . 1 37 37 VAL C C 13 174.003 0 . . . . . . . 42 VAL C . 53204 1 152 . 1 . 1 37 37 VAL CA C 13 67.078 0 . . . . . . . 42 VAL CA . 53204 1 153 . 1 . 1 37 37 VAL CB C 13 31.011 0 . . . . . . . 42 VAL CB . 53204 1 154 . 1 . 1 37 37 VAL N N 15 121.331 0 . . . . . . . 42 VAL N . 53204 1 155 . 1 . 1 38 38 ALA H H 1 8.091 0 . . . . . . . 43 ALA H . 53204 1 156 . 1 . 1 38 38 ALA CA C 13 55.332 0 . . . . . . . 43 ALA CA . 53204 1 157 . 1 . 1 38 38 ALA CB C 13 18.294 0 . . . . . . . 43 ALA CB . 53204 1 158 . 1 . 1 38 38 ALA N N 15 120.002 0 . . . . . . . 43 ALA N . 53204 1 159 . 1 . 1 39 39 GLN H H 1 7.356 0 . . . . . . . 44 GLN H . 53204 1 160 . 1 . 1 39 39 GLN C C 13 176.782 0 . . . . . . . 44 GLN C . 53204 1 161 . 1 . 1 39 39 GLN CA C 13 58.808 0 . . . . . . . 44 GLN CA . 53204 1 162 . 1 . 1 39 39 GLN CB C 13 28.924 0 . . . . . . . 44 GLN CB . 53204 1 163 . 1 . 1 39 39 GLN N N 15 115.481 0 . . . . . . . 44 GLN N . 53204 1 164 . 1 . 1 40 40 ILE H H 1 8.275 0 . . . . . . . 45 ILE H . 53204 1 165 . 1 . 1 40 40 ILE C C 13 175.271 0 . . . . . . . 45 ILE C . 53204 1 166 . 1 . 1 40 40 ILE CA C 13 65.64 0 . . . . . . . 45 ILE CA . 53204 1 167 . 1 . 1 40 40 ILE CB C 13 38.918 0 . . . . . . . 45 ILE CB . 53204 1 168 . 1 . 1 40 40 ILE N N 15 122.526 0 . . . . . . . 45 ILE N . 53204 1 169 . 1 . 1 41 41 LEU H H 1 7.76 0 . . . . . . . 46 LEU H . 53204 1 170 . 1 . 1 41 41 LEU C C 13 173.892 0 . . . . . . . 46 LEU C . 53204 1 171 . 1 . 1 41 41 LEU CA C 13 56.61 0 . . . . . . . 46 LEU CA . 53204 1 172 . 1 . 1 41 41 LEU CB C 13 41.603 0 . . . . . . . 46 LEU CB . 53204 1 173 . 1 . 1 41 41 LEU N N 15 114.993 0 . . . . . . . 46 LEU N . 53204 1 174 . 1 . 1 42 42 LYS H H 1 7.07 0 . . . . . . . 47 LYS H . 53204 1 175 . 1 . 1 42 42 LYS C C 13 175.29 0 . . . . . . . 47 LYS C . 53204 1 176 . 1 . 1 42 42 LYS CA C 13 56.411 0 . . . . . . . 47 LYS CA . 53204 1 177 . 1 . 1 42 42 LYS CB C 13 33.255 0 . . . . . . . 47 LYS CB . 53204 1 178 . 1 . 1 42 42 LYS N N 15 114.26 0 . . . . . . . 47 LYS N . 53204 1 179 . 1 . 1 43 43 GLU H H 1 7.735 0 . . . . . . . 48 GLU H . 53204 1 180 . 1 . 1 43 43 GLU C C 13 173.668 0 . . . . . . . 48 GLU C . 53204 1 181 . 1 . 1 43 43 GLU CA C 13 55.172 0 . . . . . . . 48 GLU CA . 53204 1 182 . 1 . 1 43 43 GLU CB C 13 29.301 0 . . . . . . . 48 GLU CB . 53204 1 183 . 1 . 1 43 43 GLU N N 15 124.816 0 . . . . . . . 48 GLU N . 53204 1 184 . 1 . 1 45 45 LYS H H 1 8.874 0 . . . . . . . 50 LYS H . 53204 1 185 . 1 . 1 45 45 LYS CA C 13 59.407 0 . . . . . . . 50 LYS CA . 53204 1 186 . 1 . 1 45 45 LYS CB C 13 32.4 0 . . . . . . . 50 LYS CB . 53204 1 187 . 1 . 1 45 45 LYS N N 15 116.162 0 . . . . . . . 50 LYS N . 53204 1 188 . 1 . 1 46 46 VAL H H 1 7.318 0 . . . . . . . 51 VAL H . 53204 1 189 . 1 . 1 46 46 VAL C C 13 175.719 0 . . . . . . . 51 VAL C . 53204 1 190 . 1 . 1 46 46 VAL CA C 13 65.48 0 . . . . . . . 51 VAL CA . 53204 1 191 . 1 . 1 46 46 VAL N N 15 120.85 0 . . . . . . . 51 VAL N . 53204 1 192 . 1 . 1 47 47 ALA H H 1 8.588 0 . . . . . . . 52 ALA H . 53204 1 193 . 1 . 1 47 47 ALA C C 13 177.117 0 . . . . . . . 52 ALA C . 53204 1 194 . 1 . 1 47 47 ALA CA C 13 56.011 0 . . . . . . . 52 ALA CA . 53204 1 195 . 1 . 1 47 47 ALA CB C 13 18.269 0 . . . . . . . 52 ALA CB . 53204 1 196 . 1 . 1 47 47 ALA N N 15 124.083 0 . . . . . . . 52 ALA N . 53204 1 197 . 1 . 1 48 48 ALA H H 1 7.807 0 . . . . . . . 53 ALA H . 53204 1 198 . 1 . 1 48 48 ALA C C 13 175.421 0 . . . . . . . 53 ALA C . 53204 1 199 . 1 . 1 48 48 ALA CA C 13 54.533 0 . . . . . . . 53 ALA CA . 53204 1 200 . 1 . 1 48 48 ALA CB C 13 18.829 0 . . . . . . . 53 ALA CB . 53204 1 201 . 1 . 1 48 48 ALA N N 15 116.196 0 . . . . . . . 53 ALA N . 53204 1 202 . 1 . 1 49 49 SER H H 1 7.399 0 . . . . . . . 54 SER H . 53204 1 203 . 1 . 1 49 49 SER CA C 13 59.807 0 . . . . . . . 54 SER CA . 53204 1 204 . 1 . 1 49 49 SER CB C 13 64.51 0 . . . . . . . 54 SER CB . 53204 1 205 . 1 . 1 49 49 SER N N 15 110.66 0 . . . . . . . 54 SER N . 53204 1 206 . 1 . 1 50 50 VAL H H 1 8.091 0 . . . . . . . 55 VAL H . 53204 1 207 . 1 . 1 50 50 VAL C C 13 173.164 0 . . . . . . . 55 VAL C . 53204 1 208 . 1 . 1 50 50 VAL CA C 13 64.561 0 . . . . . . . 55 VAL CA . 53204 1 209 . 1 . 1 50 50 VAL CB C 13 32.507 0 . . . . . . . 55 VAL CB . 53204 1 210 . 1 . 1 50 50 VAL N N 15 113.821 0 . . . . . . . 55 VAL N . 53204 1 211 . 1 . 1 51 51 LEU H H 1 7.57 0 . . . . . . . 56 LEU H . 53204 1 212 . 1 . 1 51 51 LEU C C 13 173.537 0 . . . . . . . 56 LEU C . 53204 1 213 . 1 . 1 51 51 LEU CA C 13 54.133 0 . . . . . . . 56 LEU CA . 53204 1 214 . 1 . 1 51 51 LEU CB C 13 41.162 0 . . . . . . . 56 LEU CB . 53204 1 215 . 1 . 1 51 51 LEU N N 15 116.924 0 . . . . . . . 56 LEU N . 53204 1 216 . 1 . 1 52 52 ASN H H 1 6.839 0 . . . . . . . 57 ASN H . 53204 1 217 . 1 . 1 52 52 ASN CA C 13 51.017 0 . . . . . . . 57 ASN CA . 53204 1 218 . 1 . 1 52 52 ASN N N 15 119.729 0 . . . . . . . 57 ASN N . 53204 1 219 . 1 . 1 54 54 TYR H H 1 8.108 0 . . . . . . . 59 TYR H . 53204 1 220 . 1 . 1 54 54 TYR C C 13 173.239 0 . . . . . . . 59 TYR C . 53204 1 221 . 1 . 1 54 54 TYR CA C 13 57.889 0 . . . . . . . 59 TYR CA . 53204 1 222 . 1 . 1 54 54 TYR CB C 13 37.873 0 . . . . . . . 59 TYR CB . 53204 1 223 . 1 . 1 54 54 TYR N N 15 116.495 0 . . . . . . . 59 TYR N . 53204 1 224 . 1 . 1 55 55 VAL H H 1 6.96 0 . . . . . . . 60 VAL H . 53204 1 225 . 1 . 1 55 55 VAL C C 13 172.885 0 . . . . . . . 60 VAL C . 53204 1 226 . 1 . 1 55 55 VAL CA C 13 62.084 0 . . . . . . . 60 VAL CA . 53204 1 227 . 1 . 1 55 55 VAL CB C 13 33.398 0 . . . . . . . 60 VAL CB . 53204 1 228 . 1 . 1 55 55 VAL N N 15 121.372 0 . . . . . . . 60 VAL N . 53204 1 229 . 1 . 1 56 56 LYS H H 1 8.337 0 . . . . . . . 61 LYS H . 53204 1 230 . 1 . 1 56 56 LYS C C 13 174.936 0 . . . . . . . 61 LYS C . 53204 1 231 . 1 . 1 56 56 LYS CA C 13 57.37 0 . . . . . . . 61 LYS CA . 53204 1 232 . 1 . 1 56 56 LYS N N 15 126.55 0 . . . . . . . 61 LYS N . 53204 1 233 . 1 . 1 57 57 ARG H H 1 8.745 0 . . . . . . . 62 ARG H . 53204 1 234 . 1 . 1 57 57 ARG N N 15 124.183 0 . . . . . . . 62 ARG N . 53204 1 235 . 1 . 1 58 58 SER H H 1 8.535 0 . . . . . . . 63 SER H . 53204 1 236 . 1 . 1 58 58 SER N N 15 111.802 0 . . . . . . . 63 SER N . 53204 1 237 . 1 . 1 59 59 ILE H H 1 7.033 0 . . . . . . . 64 ILE H . 53204 1 238 . 1 . 1 59 59 ILE CA C 13 63.522 0 . . . . . . . 64 ILE CA . 53204 1 239 . 1 . 1 59 59 ILE CB C 13 37.128 0 . . . . . . . 64 ILE CB . 53204 1 240 . 1 . 1 59 59 ILE N N 15 123.448 0 . . . . . . . 64 ILE N . 53204 1 241 . 1 . 1 60 60 LYS H H 1 7.671 0 . . . . . . . 65 LYS H . 53204 1 242 . 1 . 1 60 60 LYS CA C 13 60.646 0 . . . . . . . 65 LYS CA . 53204 1 243 . 1 . 1 60 60 LYS CB C 13 32.4 0 . . . . . . . 65 LYS CB . 53204 1 244 . 1 . 1 60 60 LYS N N 15 122.46 0 . . . . . . . 65 LYS N . 53204 1 245 . 1 . 1 61 61 VAL H H 1 8.332 0 . . . . . . . 66 VAL H . 53204 1 246 . 1 . 1 61 61 VAL CA C 13 66.559 0 . . . . . . . 66 VAL CA . 53204 1 247 . 1 . 1 61 61 VAL N N 15 117.594 0 . . . . . . . 66 VAL N . 53204 1 248 . 1 . 1 62 62 LYS H H 1 7.439 0 . . . . . . . 67 LYS H . 53204 1 249 . 1 . 1 62 62 LYS CA C 13 59.767 0 . . . . . . . 67 LYS CA . 53204 1 250 . 1 . 1 62 62 LYS CB C 13 32.546 0 . . . . . . . 67 LYS CB . 53204 1 251 . 1 . 1 62 62 LYS N N 15 120.701 0 . . . . . . . 67 LYS N . 53204 1 252 . 1 . 1 63 63 SER H H 1 8.175 0 . . . . . . . 68 SER H . 53204 1 253 . 1 . 1 63 63 SER CA C 13 62.044 0 . . . . . . . 68 SER CA . 53204 1 254 . 1 . 1 63 63 SER CB C 13 63.496 0 . . . . . . . 68 SER CB . 53204 1 255 . 1 . 1 63 63 SER N N 15 114.414 0 . . . . . . . 68 SER N . 53204 1 256 . 1 . 1 64 64 LEU H H 1 8.237 0 . . . . . . . 69 LEU H . 53204 1 257 . 1 . 1 64 64 LEU C C 13 175.98 0 . . . . . . . 69 LEU C . 53204 1 258 . 1 . 1 64 64 LEU CA C 13 57.809 0 . . . . . . . 69 LEU CA . 53204 1 259 . 1 . 1 64 64 LEU CB C 13 41.496 0 . . . . . . . 69 LEU CB . 53204 1 260 . 1 . 1 64 64 LEU N N 15 121.617 0 . . . . . . . 69 LEU N . 53204 1 261 . 1 . 1 65 65 ASN H H 1 8.389 0 . . . . . . . 70 ASN H . 53204 1 262 . 1 . 1 65 65 ASN C C 13 174.824 0 . . . . . . . 70 ASN C . 53204 1 263 . 1 . 1 65 65 ASN CA C 13 56.171 0 . . . . . . . 70 ASN CA . 53204 1 264 . 1 . 1 65 65 ASN CB C 13 38.17 0 . . . . . . . 70 ASN CB . 53204 1 265 . 1 . 1 65 65 ASN N N 15 119.356 0 . . . . . . . 70 ASN N . 53204 1 266 . 1 . 1 66 66 ASP H H 1 8.094 0 . . . . . . . 71 ASP H . 53204 1 267 . 1 . 1 66 66 ASP C C 13 176.185 0 . . . . . . . 71 ASP C . 53204 1 268 . 1 . 1 66 66 ASP CA C 13 57.512 0 . . . . . . . 71 ASP CA . 53204 1 269 . 1 . 1 66 66 ASP CB C 13 40.537 0 . . . . . . . 71 ASP CB . 53204 1 270 . 1 . 1 66 66 ASP N N 15 120.42 0 . . . . . . . 71 ASP N . 53204 1 271 . 1 . 1 67 67 ILE H H 1 7.807 0 . . . . . . . 72 ILE H . 53204 1 272 . 1 . 1 67 67 ILE C C 13 175.127 0 . . . . . . . 72 ILE C . 53204 1 273 . 1 . 1 67 67 ILE CA C 13 65.28 0 . . . . . . . 72 ILE CA . 53204 1 274 . 1 . 1 67 67 ILE CB C 13 39.152 0 . . . . . . . 72 ILE CB . 53204 1 275 . 1 . 1 67 67 ILE N N 15 120.069 0 . . . . . . . 72 ILE N . 53204 1 276 . 1 . 1 68 68 THR H H 1 8.52 0 . . . . . . . 73 THR H . 53204 1 277 . 1 . 1 68 68 THR CB C 13 68.412 0 . . . . . . . 73 THR CB . 53204 1 278 . 1 . 1 68 68 THR N N 15 110.221 0 . . . . . . . 73 THR N . 53204 1 279 . 1 . 1 69 69 ALA H H 1 7.809 0 . . . . . . . 74 ALA H . 53204 1 280 . 1 . 1 69 69 ALA C C 13 177.658 0 . . . . . . . 74 ALA C . 53204 1 281 . 1 . 1 69 69 ALA CA C 13 55.252 0 . . . . . . . 74 ALA CA . 53204 1 282 . 1 . 1 69 69 ALA CB C 13 18.615 0 . . . . . . . 74 ALA CB . 53204 1 283 . 1 . 1 69 69 ALA N N 15 125.035 0 . . . . . . . 74 ALA N . 53204 1 284 . 1 . 1 70 70 LYS H H 1 7.733 0 . . . . . . . 75 LYS H . 53204 1 285 . 1 . 1 70 70 LYS C C 13 175.383 0 . . . . . . . 75 LYS C . 53204 1 286 . 1 . 1 70 70 LYS CA C 13 58.488 0 . . . . . . . 75 LYS CA . 53204 1 287 . 1 . 1 70 70 LYS CB C 13 32.546 0 . . . . . . . 75 LYS CB . 53204 1 288 . 1 . 1 70 70 LYS N N 15 117.731 0 . . . . . . . 75 LYS N . 53204 1 289 . 1 . 1 71 71 GLU H H 1 7.576 0 . . . . . . . 76 GLU H . 53204 1 290 . 1 . 1 71 71 GLU C C 13 172.81 0 . . . . . . . 76 GLU C . 53204 1 291 . 1 . 1 71 71 GLU CA C 13 56.011 0 . . . . . . . 76 GLU CA . 53204 1 292 . 1 . 1 71 71 GLU CB C 13 28.497 0 . . . . . . . 76 GLU CB . 53204 1 293 . 1 . 1 71 71 GLU N N 15 115.992 0 . . . . . . . 76 GLU N . 53204 1 294 . 1 . 1 72 72 ARG H H 1 7.464 0 . . . . . . . 77 ARG H . 53204 1 295 . 1 . 1 72 72 ARG C C 13 173.463 0 . . . . . . . 77 ARG C . 53204 1 296 . 1 . 1 72 72 ARG CA C 13 56.331 0 . . . . . . . 77 ARG CA . 53204 1 297 . 1 . 1 72 72 ARG CB C 13 26.95 0 . . . . . . . 77 ARG CB . 53204 1 298 . 1 . 1 72 72 ARG N N 15 114.582 0 . . . . . . . 77 ARG N . 53204 1 299 . 1 . 1 73 73 PHE H H 1 7.453 0 . . . . . . . 78 PHE H . 53204 1 300 . 1 . 1 73 73 PHE C C 13 174.267 0 . . . . . . . 78 PHE C . 53204 1 301 . 1 . 1 73 73 PHE CA C 13 55.732 0 . . . . . . . 78 PHE CA . 53204 1 302 . 1 . 1 73 73 PHE CB C 13 39.88 0 . . . . . . . 78 PHE CB . 53204 1 303 . 1 . 1 73 73 PHE N N 15 116.958 0 . . . . . . . 78 PHE N . 53204 1 304 . 1 . 1 74 74 SER H H 1 9.98 0 . . . . . . . 79 SER H . 53204 1 305 . 1 . 1 74 74 SER CA C 13 58.049 0 . . . . . . . 79 SER CA . 53204 1 306 . 1 . 1 74 74 SER CB C 13 62.855 0 . . . . . . . 79 SER CB . 53204 1 307 . 1 . 1 74 74 SER N N 15 118.839 0 . . . . . . . 79 SER N . 53204 1 308 . 1 . 1 77 77 THR H H 1 7.13 0 . . . . . . . 82 THR H . 53204 1 309 . 1 . 1 77 77 THR CA C 13 66.599 0 . . . . . . . 82 THR CA . 53204 1 310 . 1 . 1 77 77 THR CB C 13 67.813 0 . . . . . . . 82 THR CB . 53204 1 311 . 1 . 1 77 77 THR N N 15 118.384 0 . . . . . . . 82 THR N . 53204 1 312 . 1 . 1 78 78 THR H H 1 8.411 0 . . . . . . . 83 THR H . 53204 1 313 . 1 . 1 78 78 THR CA C 13 67.917 0 . . . . . . . 83 THR CA . 53204 1 314 . 1 . 1 78 78 THR N N 15 118.124 0 . . . . . . . 83 THR N . 53204 1 315 . 1 . 1 79 79 ASN H H 1 8.533 0 . . . . . . . 84 ASN H . 53204 1 316 . 1 . 1 79 79 ASN C C 13 174.716 0 . . . . . . . 84 ASN C . 53204 1 317 . 1 . 1 79 79 ASN CA C 13 56.411 0 . . . . . . . 84 ASN CA . 53204 1 318 . 1 . 1 79 79 ASN CB C 13 37.98 0 . . . . . . . 84 ASN CB . 53204 1 319 . 1 . 1 79 79 ASN N N 15 118.956 0 . . . . . . . 84 ASN N . 53204 1 320 . 1 . 1 80 80 LEU H H 1 7.139 0 . . . . . . . 85 LEU H . 53204 1 321 . 1 . 1 80 80 LEU C C 13 175.141 0 . . . . . . . 85 LEU C . 53204 1 322 . 1 . 1 80 80 LEU CA C 13 58.209 0 . . . . . . . 85 LEU CA . 53204 1 323 . 1 . 1 80 80 LEU N N 15 121.219 0 . . . . . . . 85 LEU N . 53204 1 324 . 1 . 1 81 81 ILE H H 1 7.99 0 . . . . . . . 86 ILE H . 53204 1 325 . 1 . 1 81 81 ILE C C 13 174.656 0 . . . . . . . 86 ILE C . 53204 1 326 . 1 . 1 81 81 ILE CA C 13 64.961 0 . . . . . . . 86 ILE CA . 53204 1 327 . 1 . 1 81 81 ILE CB C 13 37.102 0 . . . . . . . 86 ILE CB . 53204 1 328 . 1 . 1 81 81 ILE N N 15 117.65 0 . . . . . . . 86 ILE N . 53204 1 329 . 1 . 1 82 82 ASN H H 1 8.036 0 . . . . . . . 87 ASN H . 53204 1 330 . 1 . 1 82 82 ASN C C 13 174.712 0 . . . . . . . 87 ASN C . 53204 1 331 . 1 . 1 82 82 ASN CA C 13 56.85 0 . . . . . . . 87 ASN CA . 53204 1 332 . 1 . 1 82 82 ASN CB C 13 38.3 0 . . . . . . . 87 ASN CB . 53204 1 333 . 1 . 1 82 82 ASN N N 15 117.444 0 . . . . . . . 87 ASN N . 53204 1 334 . 1 . 1 83 83 LEU H H 1 8.026 0 . . . . . . . 88 LEU H . 53204 1 335 . 1 . 1 83 83 LEU C C 13 177.136 0 . . . . . . . 88 LEU C . 53204 1 336 . 1 . 1 83 83 LEU CA C 13 58.368 0 . . . . . . . 88 LEU CA . 53204 1 337 . 1 . 1 83 83 LEU CB C 13 42.455 0 . . . . . . . 88 LEU CB . 53204 1 338 . 1 . 1 83 83 LEU N N 15 122.892 0 . . . . . . . 88 LEU N . 53204 1 339 . 1 . 1 84 84 LEU H H 1 8.354 0 . . . . . . . 89 LEU H . 53204 1 340 . 1 . 1 84 84 LEU CA C 13 58.408 0 . . . . . . . 89 LEU CA . 53204 1 341 . 1 . 1 84 84 LEU CB C 13 41.269 0 . . . . . . . 89 LEU CB . 53204 1 342 . 1 . 1 84 84 LEU N N 15 118.859 0 . . . . . . . 89 LEU N . 53204 1 343 . 1 . 1 85 85 ALA H H 1 8.311 0 . . . . . . . 90 ALA H . 53204 1 344 . 1 . 1 85 85 ALA C C 13 178.385 0 . . . . . . . 90 ALA C . 53204 1 345 . 1 . 1 85 85 ALA CA C 13 55.412 0 . . . . . . . 90 ALA CA . 53204 1 346 . 1 . 1 85 85 ALA CB C 13 18.722 0 . . . . . . . 90 ALA CB . 53204 1 347 . 1 . 1 85 85 ALA N N 15 120.749 0 . . . . . . . 90 ALA N . 53204 1 348 . 1 . 1 86 86 GLU H H 1 8.601 0 . . . . . . . 91 GLU H . 53204 1 349 . 1 . 1 86 86 GLU C C 13 175.048 0 . . . . . . . 91 GLU C . 53204 1 350 . 1 . 1 86 86 GLU CA C 13 59.287 0 . . . . . . . 91 GLU CA . 53204 1 351 . 1 . 1 86 86 GLU CB C 13 29.776 0 . . . . . . . 91 GLU CB . 53204 1 352 . 1 . 1 86 86 GLU N N 15 119.298 0 . . . . . . . 91 GLU N . 53204 1 353 . 1 . 1 87 87 ASN H H 1 7.616 0 . . . . . . . 92 ASN H . 53204 1 354 . 1 . 1 87 87 ASN C C 13 172.307 0 . . . . . . . 92 ASN C . 53204 1 355 . 1 . 1 87 87 ASN CA C 13 53.374 0 . . . . . . . 92 ASN CA . 53204 1 356 . 1 . 1 87 87 ASN CB C 13 39.791 0 . . . . . . . 92 ASN CB . 53204 1 357 . 1 . 1 87 87 ASN N N 15 113.288 0 . . . . . . . 92 ASN N . 53204 1 358 . 1 . 1 88 88 GLY H H 1 7.674 0 . . . . . . . 93 GLY H . 53204 1 359 . 1 . 1 88 88 GLY C C 13 173.706 0 . . . . . . . 93 GLY C . 53204 1 360 . 1 . 1 88 88 GLY CA C 13 47.621 0 . . . . . . . 93 GLY CA . 53204 1 361 . 1 . 1 88 88 GLY N N 15 108.663 0 . . . . . . . 93 GLY N . 53204 1 362 . 1 . 1 89 89 ARG H H 1 8.568 0 . . . . . . . 94 ARG H . 53204 1 363 . 1 . 1 89 89 ARG C C 13 174.283 0 . . . . . . . 94 ARG C . 53204 1 364 . 1 . 1 89 89 ARG CA C 13 54.573 0 . . . . . . . 94 ARG CA . 53204 1 365 . 1 . 1 89 89 ARG CB C 13 31.374 0 . . . . . . . 94 ARG CB . 53204 1 366 . 1 . 1 89 89 ARG N N 15 117.086 0 . . . . . . . 94 ARG N . 53204 1 367 . 1 . 1 90 90 LEU H H 1 8.488 0 . . . . . . . 95 LEU H . 53204 1 368 . 1 . 1 90 90 LEU CA C 13 58.328 0 . . . . . . . 95 LEU CA . 53204 1 369 . 1 . 1 90 90 LEU CB C 13 41.697 0 . . . . . . . 95 LEU CB . 53204 1 370 . 1 . 1 90 90 LEU N N 15 122.201 0 . . . . . . . 95 LEU N . 53204 1 371 . 1 . 1 91 91 SER H H 1 7.144 0 . . . . . . . 96 SER H . 53204 1 372 . 1 . 1 91 91 SER N N 15 114.91 0 . . . . . . . 96 SER N . 53204 1 373 . 1 . 1 92 92 ASN H H 1 7.949 0 . . . . . . . 97 ASN H . 53204 1 374 . 1 . 1 92 92 ASN C C 13 172.512 0 . . . . . . . 97 ASN C . 53204 1 375 . 1 . 1 92 92 ASN CA C 13 54.653 0 . . . . . . . 97 ASN CA . 53204 1 376 . 1 . 1 92 92 ASN CB C 13 39.045 0 . . . . . . . 97 ASN CB . 53204 1 377 . 1 . 1 92 92 ASN N N 15 119.128 0 . . . . . . . 97 ASN N . 53204 1 378 . 1 . 1 93 93 THR H H 1 7.614 0 . . . . . . . 98 THR H . 53204 1 379 . 1 . 1 93 93 THR CA C 13 69.356 0 . . . . . . . 98 THR CA . 53204 1 380 . 1 . 1 93 93 THR CB C 13 67.77 0 . . . . . . . 98 THR CB . 53204 1 381 . 1 . 1 93 93 THR N N 15 117.52 0 . . . . . . . 98 THR N . 53204 1 382 . 1 . 1 94 94 GLN H H 1 8.841 0 . . . . . . . 99 GLN H . 53204 1 383 . 1 . 1 94 94 GLN CA C 13 59.607 0 . . . . . . . 99 GLN CA . 53204 1 384 . 1 . 1 94 94 GLN N N 15 119.188 0 . . . . . . . 99 GLN N . 53204 1 385 . 1 . 1 95 95 GLY H H 1 8.064 0 . . . . . . . 100 GLY H . 53204 1 386 . 1 . 1 95 95 GLY C C 13 174.358 0 . . . . . . . 100 GLY C . 53204 1 387 . 1 . 1 95 95 GLY CA C 13 47.102 0 . . . . . . . 100 GLY CA . 53204 1 388 . 1 . 1 95 95 GLY N N 15 107.768 0 . . . . . . . 100 GLY N . 53204 1 389 . 1 . 1 96 96 VAL H H 1 7.962 0 . . . . . . . 101 VAL H . 53204 1 390 . 1 . 1 96 96 VAL C C 13 174.563 0 . . . . . . . 101 VAL C . 53204 1 391 . 1 . 1 96 96 VAL CA C 13 66.998 0 . . . . . . . 101 VAL CA . 53204 1 392 . 1 . 1 96 96 VAL CB C 13 31.587 0 . . . . . . . 101 VAL CB . 53204 1 393 . 1 . 1 96 96 VAL N N 15 123.968 0 . . . . . . . 101 VAL N . 53204 1 394 . 1 . 1 97 97 VAL H H 1 8.163 0 . . . . . . . 102 VAL H . 53204 1 395 . 1 . 1 97 97 VAL C C 13 175.421 0 . . . . . . . 102 VAL C . 53204 1 396 . 1 . 1 97 97 VAL CA C 13 67.678 0 . . . . . . . 102 VAL CA . 53204 1 397 . 1 . 1 97 97 VAL N N 15 119.721 0 . . . . . . . 102 VAL N . 53204 1 398 . 1 . 1 98 98 SER H H 1 8.537 0 . . . . . . . 103 SER H . 53204 1 399 . 1 . 1 98 98 SER CA C 13 62.244 0 . . . . . . . 103 SER CA . 53204 1 400 . 1 . 1 98 98 SER N N 15 114.559 0 . . . . . . . 103 SER N . 53204 1 401 . 1 . 1 99 99 ALA H H 1 7.957 0 . . . . . . . 104 ALA H . 53204 1 402 . 1 . 1 99 99 ALA C C 13 176.745 0 . . . . . . . 104 ALA C . 53204 1 403 . 1 . 1 99 99 ALA CA C 13 55.454 0 . . . . . . . 104 ALA CA . 53204 1 404 . 1 . 1 99 99 ALA CB C 13 18.081 0 . . . . . . . 104 ALA CB . 53204 1 405 . 1 . 1 99 99 ALA N N 15 124.29 0 . . . . . . . 104 ALA N . 53204 1 406 . 1 . 1 100 100 PHE H H 1 8.715 0 . . . . . . . 105 PHE H . 53204 1 407 . 1 . 1 100 100 PHE C C 13 174.973 0 . . . . . . . 105 PHE C . 53204 1 408 . 1 . 1 100 100 PHE CA C 13 62.803 0 . . . . . . . 105 PHE CA . 53204 1 409 . 1 . 1 100 100 PHE CB C 13 40.094 0 . . . . . . . 105 PHE CB . 53204 1 410 . 1 . 1 100 100 PHE N N 15 121.269 0 . . . . . . . 105 PHE N . 53204 1 411 . 1 . 1 101 101 SER H H 1 8.99 0 . . . . . . . 106 SER H . 53204 1 412 . 1 . 1 101 101 SER CA C 13 63.123 0 . . . . . . . 106 SER CA . 53204 1 413 . 1 . 1 101 101 SER N N 15 115.468 0 . . . . . . . 106 SER N . 53204 1 414 . 1 . 1 102 102 THR H H 1 8.141 0 . . . . . . . 107 THR H . 53204 1 415 . 1 . 1 102 102 THR CA C 13 67.238 0 . . . . . . . 107 THR CA . 53204 1 416 . 1 . 1 102 102 THR CB C 13 68.772 0 . . . . . . . 107 THR CB . 53204 1 417 . 1 . 1 102 102 THR N N 15 119.964 0 . . . . . . . 107 THR N . 53204 1 418 . 1 . 1 103 103 MET H H 1 7.646 0 . . . . . . . 108 MET H . 53204 1 419 . 1 . 1 103 103 MET C C 13 175.588 0 . . . . . . . 108 MET C . 53204 1 420 . 1 . 1 103 103 MET CA C 13 59.727 0 . . . . . . . 108 MET CA . 53204 1 421 . 1 . 1 103 103 MET CB C 13 32.186 0 . . . . . . . 108 MET CB . 53204 1 422 . 1 . 1 103 103 MET N N 15 121.788 0 . . . . . . . 108 MET N . 53204 1 423 . 1 . 1 104 104 MET H H 1 7.889 0 . . . . . . . 109 MET H . 53204 1 424 . 1 . 1 104 104 MET C C 13 175.775 0 . . . . . . . 109 MET C . 53204 1 425 . 1 . 1 104 104 MET CA C 13 55.891 0 . . . . . . . 109 MET CA . 53204 1 426 . 1 . 1 104 104 MET CB C 13 31.054 0 . . . . . . . 109 MET CB . 53204 1 427 . 1 . 1 104 104 MET N N 15 116.637 0 . . . . . . . 109 MET N . 53204 1 428 . 1 . 1 105 105 SER H H 1 7.834 0 . . . . . . . 110 SER H . 53204 1 429 . 1 . 1 105 105 SER CA C 13 61.365 0 . . . . . . . 110 SER CA . 53204 1 430 . 1 . 1 105 105 SER CB C 13 63.389 0 . . . . . . . 110 SER CB . 53204 1 431 . 1 . 1 105 105 SER N N 15 115.407 0 . . . . . . . 110 SER N . 53204 1 432 . 1 . 1 106 106 VAL H H 1 7.36 0 . . . . . . . 111 VAL H . 53204 1 433 . 1 . 1 106 106 VAL C C 13 174.358 0 . . . . . . . 111 VAL C . 53204 1 434 . 1 . 1 106 106 VAL CA C 13 64.361 0 . . . . . . . 111 VAL CA . 53204 1 435 . 1 . 1 106 106 VAL CB C 13 31.865 0 . . . . . . . 111 VAL CB . 53204 1 436 . 1 . 1 106 106 VAL N N 15 119.527 0 . . . . . . . 111 VAL N . 53204 1 437 . 1 . 1 107 107 HIS H H 1 7.847 0 . . . . . . . 112 HIS H . 53204 1 438 . 1 . 1 107 107 HIS C C 13 172.605 0 . . . . . . . 112 HIS C . 53204 1 439 . 1 . 1 107 107 HIS CA C 13 64.441 0 . . . . . . . 112 HIS CA . 53204 1 440 . 1 . 1 107 107 HIS CB C 13 30.476 0 . . . . . . . 112 HIS CB . 53204 1 441 . 1 . 1 107 107 HIS N N 15 119.941 0 . . . . . . . 112 HIS N . 53204 1 442 . 1 . 1 108 108 ARG H H 1 7.837 0 . . . . . . . 113 ARG H . 53204 1 443 . 1 . 1 108 108 ARG C C 13 173.239 0 . . . . . . . 113 ARG C . 53204 1 444 . 1 . 1 108 108 ARG CA C 13 57.371 0 . . . . . . . 113 ARG CA . 53204 1 445 . 1 . 1 108 108 ARG CB C 13 30.948 0 . . . . . . . 113 ARG CB . 53204 1 446 . 1 . 1 108 108 ARG N N 15 119.859 0 . . . . . . . 113 ARG N . 53204 1 447 . 1 . 1 109 109 GLY H H 1 7.665 0 . . . . . . . 114 GLY H . 53204 1 448 . 1 . 1 109 109 GLY C C 13 176.334 0 . . . . . . . 114 GLY C . 53204 1 449 . 1 . 1 109 109 GLY CA C 13 46.502 0 . . . . . . . 114 GLY CA . 53204 1 450 . 1 . 1 109 109 GLY N N 15 114.694 0 . . . . . . . 114 GLY N . 53204 1 stop_ save_