data_53305 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53305 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments of KABLE2.5 bound to 6-NBT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-08-07 _Entry.Accession_date 2025-08-07 _Entry.Last_release_date 2025-08-08 _Entry.Original_release_date 2025-08-08 _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 Alexander Volkov . . . 0000-0002-0103-059X 53305 2 Wael 'El Yazidi Mouloud' . . . . 53305 3 Sagar Bhattacharya . . . 0000-0002-8020-9255 53305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 53305 '15N chemical shifts' 123 53305 '1H chemical shifts' 200 53305 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 . . 2025-08-21 . original BMRB . 53305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53304 '1H, 13C, and 15N chemical shift assignments of KABLE2.5' 53305 BMRB 53306 '1H, 13C, and 15N chemical shift assignments of KABLE2.5 reference with CD3CN' 53305 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53305 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Emergence of binding and catalysis from a designed generalist binding protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sagar Bhattacharya . . . . 53305 1 2 Alexander Volkov . . . . 53305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53305 _Assembly.ID 1 _Assembly.Name KABLE2.5 _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 KABLE2.5 1 $entity_1 . . yes native no no . . . 53305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53305 _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 ; SLKEKFEEYEKFGPRILGLW QEARDAFEAGDLARVDELLR ELKEILRKDLKLAEEMKKEA EEAGNKEAVELLEEQLEGLK KIQAMFEEAVEAFRAGDRER FGELLEKIIEEGKALLPNVE KIKEAI ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . SER . 53305 1 2 . LEU . 53305 1 3 . LYS . 53305 1 4 . GLU . 53305 1 5 . LYS . 53305 1 6 . PHE . 53305 1 7 . GLU . 53305 1 8 . GLU . 53305 1 9 . TYR . 53305 1 10 . GLU . 53305 1 11 . LYS . 53305 1 12 . PHE . 53305 1 13 . GLY . 53305 1 14 . PRO . 53305 1 15 . ARG . 53305 1 16 . ILE . 53305 1 17 . LEU . 53305 1 18 . GLY . 53305 1 19 . LEU . 53305 1 20 . TRP . 53305 1 21 . GLN . 53305 1 22 . GLU . 53305 1 23 . ALA . 53305 1 24 . ARG . 53305 1 25 . ASP . 53305 1 26 . ALA . 53305 1 27 . PHE . 53305 1 28 . GLU . 53305 1 29 . ALA . 53305 1 30 . GLY . 53305 1 31 . ASP . 53305 1 32 . LEU . 53305 1 33 . ALA . 53305 1 34 . ARG . 53305 1 35 . VAL . 53305 1 36 . ASP . 53305 1 37 . GLU . 53305 1 38 . LEU . 53305 1 39 . LEU . 53305 1 40 . ARG . 53305 1 41 . GLU . 53305 1 42 . LEU . 53305 1 43 . LYS . 53305 1 44 . GLU . 53305 1 45 . ILE . 53305 1 46 . LEU . 53305 1 47 . ARG . 53305 1 48 . LYS . 53305 1 49 . ASP . 53305 1 50 . LEU . 53305 1 51 . LYS . 53305 1 52 . LEU . 53305 1 53 . ALA . 53305 1 54 . GLU . 53305 1 55 . GLU . 53305 1 56 . MET . 53305 1 57 . LYS . 53305 1 58 . LYS . 53305 1 59 . GLU . 53305 1 60 . ALA . 53305 1 61 . GLU . 53305 1 62 . GLU . 53305 1 63 . ALA . 53305 1 64 . GLY . 53305 1 65 . ASN . 53305 1 66 . LYS . 53305 1 67 . GLU . 53305 1 68 . ALA . 53305 1 69 . VAL . 53305 1 70 . GLU . 53305 1 71 . LEU . 53305 1 72 . LEU . 53305 1 73 . GLU . 53305 1 74 . GLU . 53305 1 75 . GLN . 53305 1 76 . LEU . 53305 1 77 . GLU . 53305 1 78 . GLY . 53305 1 79 . LEU . 53305 1 80 . LYS . 53305 1 81 . LYS . 53305 1 82 . ILE . 53305 1 83 . GLN . 53305 1 84 . ALA . 53305 1 85 . MET . 53305 1 86 . PHE . 53305 1 87 . GLU . 53305 1 88 . GLU . 53305 1 89 . ALA . 53305 1 90 . VAL . 53305 1 91 . GLU . 53305 1 92 . ALA . 53305 1 93 . PHE . 53305 1 94 . ARG . 53305 1 95 . ALA . 53305 1 96 . GLY . 53305 1 97 . ASP . 53305 1 98 . ARG . 53305 1 99 . GLU . 53305 1 100 . ARG . 53305 1 101 . PHE . 53305 1 102 . GLY . 53305 1 103 . GLU . 53305 1 104 . LEU . 53305 1 105 . LEU . 53305 1 106 . GLU . 53305 1 107 . LYS . 53305 1 108 . ILE . 53305 1 109 . ILE . 53305 1 110 . GLU . 53305 1 111 . GLU . 53305 1 112 . GLY . 53305 1 113 . LYS . 53305 1 114 . ALA . 53305 1 115 . LEU . 53305 1 116 . LEU . 53305 1 117 . PRO . 53305 1 118 . ASN . 53305 1 119 . VAL . 53305 1 120 . GLU . 53305 1 121 . LYS . 53305 1 122 . ILE . 53305 1 123 . LYS . 53305 1 124 . GLU . 53305 1 125 . ALA . 53305 1 126 . ILE . 53305 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 . SER 1 1 53305 1 . LEU 2 2 53305 1 . LYS 3 3 53305 1 . GLU 4 4 53305 1 . LYS 5 5 53305 1 . PHE 6 6 53305 1 . GLU 7 7 53305 1 . GLU 8 8 53305 1 . TYR 9 9 53305 1 . GLU 10 10 53305 1 . LYS 11 11 53305 1 . PHE 12 12 53305 1 . GLY 13 13 53305 1 . PRO 14 14 53305 1 . ARG 15 15 53305 1 . ILE 16 16 53305 1 . LEU 17 17 53305 1 . GLY 18 18 53305 1 . LEU 19 19 53305 1 . TRP 20 20 53305 1 . GLN 21 21 53305 1 . GLU 22 22 53305 1 . ALA 23 23 53305 1 . ARG 24 24 53305 1 . ASP 25 25 53305 1 . ALA 26 26 53305 1 . PHE 27 27 53305 1 . GLU 28 28 53305 1 . ALA 29 29 53305 1 . GLY 30 30 53305 1 . ASP 31 31 53305 1 . LEU 32 32 53305 1 . ALA 33 33 53305 1 . ARG 34 34 53305 1 . VAL 35 35 53305 1 . ASP 36 36 53305 1 . GLU 37 37 53305 1 . LEU 38 38 53305 1 . LEU 39 39 53305 1 . ARG 40 40 53305 1 . GLU 41 41 53305 1 . LEU 42 42 53305 1 . LYS 43 43 53305 1 . GLU 44 44 53305 1 . ILE 45 45 53305 1 . LEU 46 46 53305 1 . ARG 47 47 53305 1 . LYS 48 48 53305 1 . ASP 49 49 53305 1 . LEU 50 50 53305 1 . LYS 51 51 53305 1 . LEU 52 52 53305 1 . ALA 53 53 53305 1 . GLU 54 54 53305 1 . GLU 55 55 53305 1 . MET 56 56 53305 1 . LYS 57 57 53305 1 . LYS 58 58 53305 1 . GLU 59 59 53305 1 . ALA 60 60 53305 1 . GLU 61 61 53305 1 . GLU 62 62 53305 1 . ALA 63 63 53305 1 . GLY 64 64 53305 1 . ASN 65 65 53305 1 . LYS 66 66 53305 1 . GLU 67 67 53305 1 . ALA 68 68 53305 1 . VAL 69 69 53305 1 . GLU 70 70 53305 1 . LEU 71 71 53305 1 . LEU 72 72 53305 1 . GLU 73 73 53305 1 . GLU 74 74 53305 1 . GLN 75 75 53305 1 . LEU 76 76 53305 1 . GLU 77 77 53305 1 . GLY 78 78 53305 1 . LEU 79 79 53305 1 . LYS 80 80 53305 1 . LYS 81 81 53305 1 . ILE 82 82 53305 1 . GLN 83 83 53305 1 . ALA 84 84 53305 1 . MET 85 85 53305 1 . PHE 86 86 53305 1 . GLU 87 87 53305 1 . GLU 88 88 53305 1 . ALA 89 89 53305 1 . VAL 90 90 53305 1 . GLU 91 91 53305 1 . ALA 92 92 53305 1 . PHE 93 93 53305 1 . ARG 94 94 53305 1 . ALA 95 95 53305 1 . GLY 96 96 53305 1 . ASP 97 97 53305 1 . ARG 98 98 53305 1 . GLU 99 99 53305 1 . ARG 100 100 53305 1 . PHE 101 101 53305 1 . GLY 102 102 53305 1 . GLU 103 103 53305 1 . LEU 104 104 53305 1 . LEU 105 105 53305 1 . GLU 106 106 53305 1 . LYS 107 107 53305 1 . ILE 108 108 53305 1 . ILE 109 109 53305 1 . GLU 110 110 53305 1 . GLU 111 111 53305 1 . GLY 112 112 53305 1 . LYS 113 113 53305 1 . ALA 114 114 53305 1 . LEU 115 115 53305 1 . LEU 116 116 53305 1 . PRO 117 117 53305 1 . ASN 118 118 53305 1 . VAL 119 119 53305 1 . GLU 120 120 53305 1 . LYS 121 121 53305 1 . ILE 122 122 53305 1 . LYS 123 123 53305 1 . GLU 124 124 53305 1 . ALA 125 125 53305 1 . ILE 126 126 53305 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 53305 _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 . . organism . 'engineered protein' . . . . . engineered protein . . . . . . . . . . . . . 53305 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 53305 _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 . . . plasmid . . pET11a . . . 53305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53305 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 KABLE2.5 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 53305 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 53305 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 53305 1 4 6-NBT 'natural abundance' . . . . . . 8.0 . . mM . . . . 53305 1 5 CD3CN '[U-100% 2H]' . . . . . . 7.5 . . '% v/v' . . . . 53305 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53305 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 53305 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 118 . mM 53305 1 pH 6.9 . pH 53305 1 pressure 1 . atm 53305 1 temperature 298 . K 53305 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53305 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53305 1 processing . 53305 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53305 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53305 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53305 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53305 3 'data analysis' . 53305 3 'peak picking' . 53305 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53305 _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 . . . . . . . . . . . . . . . . . 53305 1 2 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 4 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 7 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 8 '3D (H)CCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 9 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 1 10 '2D CB-CG' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53305 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 53305 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'shifts 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53305 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53305 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53305 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 53305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name bound _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53305 1 2 '2D 1H-13C HSQC aliphatic' . . . 53305 1 3 '3D HNCACB' . . . 53305 1 4 '3D HN(CO)CACB' . . . 53305 1 5 '3D HNCO' . . . 53305 1 6 '3D HN(CA)CO' . . . 53305 1 7 '3D HBHA(CO)NH' . . . 53305 1 8 '3D (H)CCH-TOCSY' . . . 53305 1 9 '2D 1H-13C HSQC aromatic' . . . 53305 1 10 '2D CB-CG' . . . 53305 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 1 $software_1 . . 53305 1 2 $software_2 . . 53305 1 3 $software_3 . . 53305 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 SER C C 13 175.16028 0.4 . 1 . . . . . 1 SER C . 53305 1 2 . 1 . 1 1 1 SER CA C 13 58.07966 0.4 . 1 . . . . . 1 SER CA . 53305 1 3 . 1 . 1 1 1 SER CB C 13 64.84771 0.4 . 1 . . . . . 1 SER CB . 53305 1 4 . 1 . 1 2 2 LEU H H 1 8.6517 0.04 . 1 . . . . . 2 LEU H . 53305 1 5 . 1 . 1 2 2 LEU C C 13 178.11368 0.4 . 1 . . . . . 2 LEU C . 53305 1 6 . 1 . 1 2 2 LEU CA C 13 58.65145 0.4 . 1 . . . . . 2 LEU CA . 53305 1 7 . 1 . 1 2 2 LEU CB C 13 41.77931 0.4 . 1 . . . . . 2 LEU CB . 53305 1 8 . 1 . 1 2 2 LEU N N 15 123.32118 0.2 . 1 . . . . . 2 LEU N . 53305 1 9 . 1 . 1 3 3 LYS H H 1 8.16117 0.04 . 1 . . . . . 3 LYS H . 53305 1 10 . 1 . 1 3 3 LYS C C 13 178.83414 0.4 . 1 . . . . . 3 LYS C . 53305 1 11 . 1 . 1 3 3 LYS CA C 13 60.15217 0.4 . 1 . . . . . 3 LYS CA . 53305 1 12 . 1 . 1 3 3 LYS CB C 13 32.41347 0.4 . 1 . . . . . 3 LYS CB . 53305 1 13 . 1 . 1 3 3 LYS N N 15 117.98267 0.2 . 1 . . . . . 3 LYS N . 53305 1 14 . 1 . 1 4 4 GLU H H 1 7.85505 0.04 . 1 . . . . . 4 GLU H . 53305 1 15 . 1 . 1 4 4 GLU C C 13 180.39837 0.4 . 1 . . . . . 4 GLU C . 53305 1 16 . 1 . 1 4 4 GLU CA C 13 59.57739 0.4 . 1 . . . . . 4 GLU CA . 53305 1 17 . 1 . 1 4 4 GLU CB C 13 29.7618 0.4 . 1 . . . . . 4 GLU CB . 53305 1 18 . 1 . 1 4 4 GLU N N 15 119.27028 0.2 . 1 . . . . . 4 GLU N . 53305 1 19 . 1 . 1 5 5 LYS H H 1 8.29671 0.04 . 1 . . . . . 5 LYS H . 53305 1 20 . 1 . 1 5 5 LYS C C 13 178.68927 0.4 . 1 . . . . . 5 LYS C . 53305 1 21 . 1 . 1 5 5 LYS CA C 13 60.00737 0.4 . 1 . . . . . 5 LYS CA . 53305 1 22 . 1 . 1 5 5 LYS CB C 13 33.39091 0.4 . 1 . . . . . 5 LYS CB . 53305 1 23 . 1 . 1 5 5 LYS N N 15 120.27159 0.2 . 1 . . . . . 5 LYS N . 53305 1 24 . 1 . 1 6 6 PHE H H 1 8.79462 0.04 . 1 . . . . . 6 PHE H . 53305 1 25 . 1 . 1 6 6 PHE C C 13 175.85896 0.4 . 1 . . . . . 6 PHE C . 53305 1 26 . 1 . 1 6 6 PHE CA C 13 62.89936 0.4 . 1 . . . . . 6 PHE CA . 53305 1 27 . 1 . 1 6 6 PHE CB C 13 39.23976 0.4 . 1 . . . . . 6 PHE CB . 53305 1 28 . 1 . 1 6 6 PHE N N 15 120.67205 0.2 . 1 . . . . . 6 PHE N . 53305 1 29 . 1 . 1 7 7 GLU H H 1 7.99597 0.04 . 1 . . . . . 7 GLU H . 53305 1 30 . 1 . 1 7 7 GLU C C 13 178.98747 0.4 . 1 . . . . . 7 GLU C . 53305 1 31 . 1 . 1 7 7 GLU CA C 13 59.39946 0.4 . 1 . . . . . 7 GLU CA . 53305 1 32 . 1 . 1 7 7 GLU CB C 13 29.30803 0.4 . 1 . . . . . 7 GLU CB . 53305 1 33 . 1 . 1 7 7 GLU N N 15 118.019 0.2 . 1 . . . . . 7 GLU N . 53305 1 34 . 1 . 1 8 8 GLU H H 1 7.01972 0.04 . 1 . . . . . 8 GLU H . 53305 1 35 . 1 . 1 8 8 GLU C C 13 178.11574 0.4 . 1 . . . . . 8 GLU C . 53305 1 36 . 1 . 1 8 8 GLU CA C 13 58.36907 0.4 . 1 . . . . . 8 GLU CA . 53305 1 37 . 1 . 1 8 8 GLU CB C 13 29.52858 0.4 . 1 . . . . . 8 GLU CB . 53305 1 38 . 1 . 1 8 8 GLU N N 15 116.79457 0.2 . 1 . . . . . 8 GLU N . 53305 1 39 . 1 . 1 9 9 TYR H H 1 8.63989 0.04 . 1 . . . . . 9 TYR H . 53305 1 40 . 1 . 1 9 9 TYR HE1 H 1 7.242 0.04 . 3 . . . . . 9 TYR HE# . 53305 1 41 . 1 . 1 9 9 TYR HE2 H 1 7.242 0.04 . 3 . . . . . 9 TYR HE# . 53305 1 42 . 1 . 1 9 9 TYR C C 13 179.0293 0.4 . 1 . . . . . 9 TYR C . 53305 1 43 . 1 . 1 9 9 TYR CA C 13 62.33641 0.4 . 1 . . . . . 9 TYR CA . 53305 1 44 . 1 . 1 9 9 TYR CB C 13 39.96661 0.4 . 1 . . . . . 9 TYR CB . 53305 1 45 . 1 . 1 9 9 TYR CE1 C 13 119.641 0.4 . 3 . . . . . 9 TYR CE# . 53305 1 46 . 1 . 1 9 9 TYR CE2 C 13 119.641 0.4 . 3 . . . . . 9 TYR CE# . 53305 1 47 . 1 . 1 9 9 TYR N N 15 121.98805 0.2 . 1 . . . . . 9 TYR N . 53305 1 48 . 1 . 1 10 10 GLU H H 1 8.52652 0.04 . 1 . . . . . 10 GLU H . 53305 1 49 . 1 . 1 10 10 GLU C C 13 176.14095 0.4 . 1 . . . . . 10 GLU C . 53305 1 50 . 1 . 1 10 10 GLU CA C 13 57.90931 0.4 . 1 . . . . . 10 GLU CA . 53305 1 51 . 1 . 1 10 10 GLU CB C 13 29.02456 0.4 . 1 . . . . . 10 GLU CB . 53305 1 52 . 1 . 1 10 10 GLU N N 15 117.27994 0.2 . 1 . . . . . 10 GLU N . 53305 1 53 . 1 . 1 11 11 LYS H H 1 6.87905 0.04 . 1 . . . . . 11 LYS H . 53305 1 54 . 1 . 1 11 11 LYS C C 13 179.1996 0.4 . 1 . . . . . 11 LYS C . 53305 1 55 . 1 . 1 11 11 LYS CA C 13 57.07871 0.4 . 1 . . . . . 11 LYS CA . 53305 1 56 . 1 . 1 11 11 LYS CB C 13 32.59195 0.4 . 1 . . . . . 11 LYS CB . 53305 1 57 . 1 . 1 11 11 LYS N N 15 114.75099 0.2 . 1 . . . . . 11 LYS N . 53305 1 58 . 1 . 1 12 12 PHE H H 1 7.63476 0.04 . 1 . . . . . 12 PHE H . 53305 1 59 . 1 . 1 12 12 PHE C C 13 177.47111 0.4 . 1 . . . . . 12 PHE C . 53305 1 60 . 1 . 1 12 12 PHE CA C 13 61.54608 0.4 . 1 . . . . . 12 PHE CA . 53305 1 61 . 1 . 1 12 12 PHE CB C 13 38.3389 0.4 . 1 . . . . . 12 PHE CB . 53305 1 62 . 1 . 1 12 12 PHE N N 15 117.31734 0.2 . 1 . . . . . 12 PHE N . 53305 1 63 . 1 . 1 13 13 GLY H H 1 8.1737 0.04 . 1 . . . . . 13 GLY H . 53305 1 64 . 1 . 1 13 13 GLY CA C 13 47.78911 0.4 . 1 . . . . . 13 GLY CA . 53305 1 65 . 1 . 1 13 13 GLY N N 15 105.98956 0.2 . 1 . . . . . 13 GLY N . 53305 1 66 . 1 . 1 14 14 PRO C C 13 179.70745 0.4 . 1 . . . . . 14 PRO C . 53305 1 67 . 1 . 1 14 14 PRO CA C 13 64.86021 0.4 . 1 . . . . . 14 PRO CA . 53305 1 68 . 1 . 1 14 14 PRO CB C 13 31.73912 0.4 . 1 . . . . . 14 PRO CB . 53305 1 69 . 1 . 1 15 15 ARG H H 1 6.48613 0.04 . 1 . . . . . 15 ARG H . 53305 1 70 . 1 . 1 15 15 ARG C C 13 178.67828 0.4 . 1 . . . . . 15 ARG C . 53305 1 71 . 1 . 1 15 15 ARG CA C 13 58.33515 0.4 . 1 . . . . . 15 ARG CA . 53305 1 72 . 1 . 1 15 15 ARG CB C 13 30.00931 0.4 . 1 . . . . . 15 ARG CB . 53305 1 73 . 1 . 1 15 15 ARG N N 15 117.11651 0.2 . 1 . . . . . 15 ARG N . 53305 1 74 . 1 . 1 16 16 ILE H H 1 8.54302 0.04 . 1 . . . . . 16 ILE H . 53305 1 75 . 1 . 1 16 16 ILE HA H 1 3.14023 0.04 . 1 . . . . . 16 ILE HA . 53305 1 76 . 1 . 1 16 16 ILE HB H 1 1.06099 0.04 . 1 . . . . . 16 ILE HB . 53305 1 77 . 1 . 1 16 16 ILE HG12 H 1 0.47905 0.04 . 1 . . . . . 16 ILE HG12 . 53305 1 78 . 1 . 1 16 16 ILE HG13 H 1 0.47905 0.04 . 1 . . . . . 16 ILE HG13 . 53305 1 79 . 1 . 1 16 16 ILE HG21 H 1 0.50229 0.04 . 1 . . . . . 16 ILE HG2# . 53305 1 80 . 1 . 1 16 16 ILE HG22 H 1 0.50229 0.04 . 1 . . . . . 16 ILE HG2# . 53305 1 81 . 1 . 1 16 16 ILE HG23 H 1 0.50229 0.04 . 1 . . . . . 16 ILE HG2# . 53305 1 82 . 1 . 1 16 16 ILE HD11 H 1 0.82056 0.04 . 1 . . . . . 16 ILE HD1# . 53305 1 83 . 1 . 1 16 16 ILE HD12 H 1 0.82056 0.04 . 1 . . . . . 16 ILE HD1# . 53305 1 84 . 1 . 1 16 16 ILE HD13 H 1 0.82056 0.04 . 1 . . . . . 16 ILE HD1# . 53305 1 85 . 1 . 1 16 16 ILE C C 13 176.92817 0.4 . 1 . . . . . 16 ILE C . 53305 1 86 . 1 . 1 16 16 ILE CA C 13 65.92479 0.4 . 1 . . . . . 16 ILE CA . 53305 1 87 . 1 . 1 16 16 ILE CB C 13 37.74352 0.4 . 1 . . . . . 16 ILE CB . 53305 1 88 . 1 . 1 16 16 ILE CG1 C 13 30.82104 0.4 . 1 . . . . . 16 ILE CG1 . 53305 1 89 . 1 . 1 16 16 ILE CG2 C 13 16.2148 0.4 . 1 . . . . . 16 ILE CG2 . 53305 1 90 . 1 . 1 16 16 ILE CD1 C 13 15.66021 0.4 . 1 . . . . . 16 ILE CD1 . 53305 1 91 . 1 . 1 16 16 ILE N N 15 120.61865 0.2 . 1 . . . . . 16 ILE N . 53305 1 92 . 1 . 1 17 17 LEU H H 1 8.20501 0.04 . 1 . . . . . 17 LEU H . 53305 1 93 . 1 . 1 17 17 LEU HA H 1 4.21091 0.04 . 1 . . . . . 17 LEU HA . 53305 1 94 . 1 . 1 17 17 LEU HB2 H 1 1.50308 0.04 . 2 . . . . . 17 LEU HB2 . 53305 1 95 . 1 . 1 17 17 LEU HB3 H 1 1.68517 0.04 . 2 . . . . . 17 LEU HB3 . 53305 1 96 . 1 . 1 17 17 LEU HD11 H 1 0.99005 0.04 . 2 . . . . . 17 LEU HD1# . 53305 1 97 . 1 . 1 17 17 LEU HD12 H 1 0.99005 0.04 . 2 . . . . . 17 LEU HD1# . 53305 1 98 . 1 . 1 17 17 LEU HD13 H 1 0.99005 0.04 . 2 . . . . . 17 LEU HD1# . 53305 1 99 . 1 . 1 17 17 LEU HD21 H 1 1.11298 0.04 . 2 . . . . . 17 LEU HD2# . 53305 1 100 . 1 . 1 17 17 LEU HD22 H 1 1.11298 0.04 . 2 . . . . . 17 LEU HD2# . 53305 1 101 . 1 . 1 17 17 LEU HD23 H 1 1.11298 0.04 . 2 . . . . . 17 LEU HD2# . 53305 1 102 . 1 . 1 17 17 LEU C C 13 180.04716 0.4 . 1 . . . . . 17 LEU C . 53305 1 103 . 1 . 1 17 17 LEU CA C 13 58.55215 0.4 . 1 . . . . . 17 LEU CA . 53305 1 104 . 1 . 1 17 17 LEU CB C 13 40.99109 0.4 . 1 . . . . . 17 LEU CB . 53305 1 105 . 1 . 1 17 17 LEU CD1 C 13 26.11638 0.4 . 2 . . . . . 17 LEU CD1 . 53305 1 106 . 1 . 1 17 17 LEU CD2 C 13 24.25565 0.4 . 2 . . . . . 17 LEU CD2 . 53305 1 107 . 1 . 1 17 17 LEU N N 15 118.78077 0.2 . 1 . . . . . 17 LEU N . 53305 1 108 . 1 . 1 18 18 GLY H H 1 7.7046 0.04 . 1 . . . . . 18 GLY H . 53305 1 109 . 1 . 1 18 18 GLY C C 13 176.46349 0.4 . 1 . . . . . 18 GLY C . 53305 1 110 . 1 . 1 18 18 GLY CA C 13 47.14967 0.4 . 1 . . . . . 18 GLY CA . 53305 1 111 . 1 . 1 18 18 GLY N N 15 105.97101 0.2 . 1 . . . . . 18 GLY N . 53305 1 112 . 1 . 1 19 19 LEU H H 1 7.69843 0.04 . 1 . . . . . 19 LEU H . 53305 1 113 . 1 . 1 19 19 LEU C C 13 179.5977 0.4 . 1 . . . . . 19 LEU C . 53305 1 114 . 1 . 1 19 19 LEU CA C 13 58.08017 0.4 . 1 . . . . . 19 LEU CA . 53305 1 115 . 1 . 1 19 19 LEU CB C 13 41.8584 0.4 . 1 . . . . . 19 LEU CB . 53305 1 116 . 1 . 1 19 19 LEU N N 15 124.21274 0.2 . 1 . . . . . 19 LEU N . 53305 1 117 . 1 . 1 20 20 TRP H H 1 8.6233 0.04 . 1 . . . . . 20 TRP H . 53305 1 118 . 1 . 1 20 20 TRP C C 13 179.29396 0.4 . 1 . . . . . 20 TRP C . 53305 1 119 . 1 . 1 20 20 TRP CA C 13 60.26033 0.4 . 1 . . . . . 20 TRP CA . 53305 1 120 . 1 . 1 20 20 TRP CB C 13 31.16005 0.4 . 1 . . . . . 20 TRP CB . 53305 1 121 . 1 . 1 20 20 TRP N N 15 118.77439 0.2 . 1 . . . . . 20 TRP N . 53305 1 122 . 1 . 1 21 21 GLN H H 1 7.93243 0.04 . 1 . . . . . 21 GLN H . 53305 1 123 . 1 . 1 21 21 GLN C C 13 177.97682 0.4 . 1 . . . . . 21 GLN C . 53305 1 124 . 1 . 1 21 21 GLN CA C 13 59.05979 0.4 . 1 . . . . . 21 GLN CA . 53305 1 125 . 1 . 1 21 21 GLN CB C 13 28.2663 0.4 . 1 . . . . . 21 GLN CB . 53305 1 126 . 1 . 1 21 21 GLN N N 15 116.7756 0.2 . 1 . . . . . 21 GLN N . 53305 1 127 . 1 . 1 22 22 GLU H H 1 8.36018 0.04 . 1 . . . . . 22 GLU H . 53305 1 128 . 1 . 1 22 22 GLU C C 13 179.65528 0.4 . 1 . . . . . 22 GLU C . 53305 1 129 . 1 . 1 22 22 GLU CA C 13 59.94755 0.4 . 1 . . . . . 22 GLU CA . 53305 1 130 . 1 . 1 22 22 GLU CB C 13 29.63007 0.4 . 1 . . . . . 22 GLU CB . 53305 1 131 . 1 . 1 22 22 GLU N N 15 120.93162 0.2 . 1 . . . . . 22 GLU N . 53305 1 132 . 1 . 1 23 23 ALA H H 1 8.75078 0.04 . 1 . . . . . 23 ALA H . 53305 1 133 . 1 . 1 23 23 ALA C C 13 178.59503 0.4 . 1 . . . . . 23 ALA C . 53305 1 134 . 1 . 1 23 23 ALA CA C 13 55.68853 0.4 . 1 . . . . . 23 ALA CA . 53305 1 135 . 1 . 1 23 23 ALA CB C 13 16.35621 0.4 . 1 . . . . . 23 ALA CB . 53305 1 136 . 1 . 1 23 23 ALA N N 15 123.37171 0.2 . 1 . . . . . 23 ALA N . 53305 1 137 . 1 . 1 24 24 ARG H H 1 8.37707 0.04 . 1 . . . . . 24 ARG H . 53305 1 138 . 1 . 1 24 24 ARG C C 13 178.26847 0.4 . 1 . . . . . 24 ARG C . 53305 1 139 . 1 . 1 24 24 ARG CA C 13 60.20084 0.4 . 1 . . . . . 24 ARG CA . 53305 1 140 . 1 . 1 24 24 ARG CB C 13 29.50316 0.4 . 1 . . . . . 24 ARG CB . 53305 1 141 . 1 . 1 24 24 ARG N N 15 119.97452 0.2 . 1 . . . . . 24 ARG N . 53305 1 142 . 1 . 1 25 25 ASP H H 1 8.63466 0.04 . 1 . . . . . 25 ASP H . 53305 1 143 . 1 . 1 25 25 ASP HA H 1 4.39899 0.04 . 1 . . . . . 25 ASP HA . 53305 1 144 . 1 . 1 25 25 ASP HB2 H 1 2.67662 0.04 . 2 . . . . . 25 ASP HB2 . 53305 1 145 . 1 . 1 25 25 ASP HB3 H 1 2.80732 0.04 . 2 . . . . . 25 ASP HB3 . 53305 1 146 . 1 . 1 25 25 ASP C C 13 179.44474 0.4 . 1 . . . . . 25 ASP C . 53305 1 147 . 1 . 1 25 25 ASP CA C 13 57.67747 0.4 . 1 . . . . . 25 ASP CA . 53305 1 148 . 1 . 1 25 25 ASP CB C 13 40.02167 0.4 . 1 . . . . . 25 ASP CB . 53305 1 149 . 1 . 1 25 25 ASP CG C 13 178.8175 0.4 . 1 . . . . . 25 ASP CG . 53305 1 150 . 1 . 1 25 25 ASP N N 15 120.83555 0.2 . 1 . . . . . 25 ASP N . 53305 1 151 . 1 . 1 26 26 ALA H H 1 8.59507 0.04 . 1 . . . . . 26 ALA H . 53305 1 152 . 1 . 1 26 26 ALA C C 13 178.89518 0.4 . 1 . . . . . 26 ALA C . 53305 1 153 . 1 . 1 26 26 ALA CA C 13 55.11938 0.4 . 1 . . . . . 26 ALA CA . 53305 1 154 . 1 . 1 26 26 ALA CB C 13 17.46779 0.4 . 1 . . . . . 26 ALA CB . 53305 1 155 . 1 . 1 26 26 ALA N N 15 123.67288 0.2 . 1 . . . . . 26 ALA N . 53305 1 156 . 1 . 1 27 27 PHE H H 1 8.697 0.04 . 1 . . . . . 27 PHE H . 53305 1 157 . 1 . 1 27 27 PHE C C 13 179.21453 0.4 . 1 . . . . . 27 PHE C . 53305 1 158 . 1 . 1 27 27 PHE CA C 13 61.6951 0.4 . 1 . . . . . 27 PHE CA . 53305 1 159 . 1 . 1 27 27 PHE CB C 13 39.25894 0.4 . 1 . . . . . 27 PHE CB . 53305 1 160 . 1 . 1 27 27 PHE N N 15 120.39206 0.2 . 1 . . . . . 27 PHE N . 53305 1 161 . 1 . 1 28 28 GLU H H 1 8.74602 0.04 . 1 . . . . . 28 GLU H . 53305 1 162 . 1 . 1 28 28 GLU C C 13 178.05578 0.4 . 1 . . . . . 28 GLU C . 53305 1 163 . 1 . 1 28 28 GLU CA C 13 59.28501 0.4 . 1 . . . . . 28 GLU CA . 53305 1 164 . 1 . 1 28 28 GLU CB C 13 29.15994 0.4 . 1 . . . . . 28 GLU CB . 53305 1 165 . 1 . 1 28 28 GLU N N 15 121.2884 0.2 . 1 . . . . . 28 GLU N . 53305 1 166 . 1 . 1 29 29 ALA H H 1 7.61921 0.04 . 1 . . . . . 29 ALA H . 53305 1 167 . 1 . 1 29 29 ALA C C 13 177.95518 0.4 . 1 . . . . . 29 ALA C . 53305 1 168 . 1 . 1 29 29 ALA CA C 13 52.45435 0.4 . 1 . . . . . 29 ALA CA . 53305 1 169 . 1 . 1 29 29 ALA CB C 13 18.95882 0.4 . 1 . . . . . 29 ALA CB . 53305 1 170 . 1 . 1 29 29 ALA N N 15 118.62965 0.2 . 1 . . . . . 29 ALA N . 53305 1 171 . 1 . 1 30 30 GLY H H 1 7.78819 0.04 . 1 . . . . . 30 GLY H . 53305 1 172 . 1 . 1 30 30 GLY C C 13 174.21937 0.4 . 1 . . . . . 30 GLY C . 53305 1 173 . 1 . 1 30 30 GLY CA C 13 45.39699 0.4 . 1 . . . . . 30 GLY CA . 53305 1 174 . 1 . 1 30 30 GLY N N 15 107.04622 0.2 . 1 . . . . . 30 GLY N . 53305 1 175 . 1 . 1 31 31 ASP H H 1 8.44478 0.04 . 1 . . . . . 31 ASP H . 53305 1 176 . 1 . 1 31 31 ASP HA H 1 4.86803 0.04 . 1 . . . . . 31 ASP HA . 53305 1 177 . 1 . 1 31 31 ASP HB2 H 1 2.41024 0.04 . 2 . . . . . 31 ASP HB2 . 53305 1 178 . 1 . 1 31 31 ASP HB3 H 1 3.01147 0.04 . 2 . . . . . 31 ASP HB3 . 53305 1 179 . 1 . 1 31 31 ASP C C 13 175.99629 0.4 . 1 . . . . . 31 ASP C . 53305 1 180 . 1 . 1 31 31 ASP CA C 13 51.74478 0.4 . 1 . . . . . 31 ASP CA . 53305 1 181 . 1 . 1 31 31 ASP CB C 13 38.87726 0.4 . 1 . . . . . 31 ASP CB . 53305 1 182 . 1 . 1 31 31 ASP CG C 13 180.3304 0.4 . 1 . . . . . 31 ASP CG . 53305 1 183 . 1 . 1 31 31 ASP N N 15 122.15012 0.2 . 1 . . . . . 31 ASP N . 53305 1 184 . 1 . 1 32 32 LEU H H 1 7.7972 0.04 . 1 . . . . . 32 LEU H . 53305 1 185 . 1 . 1 32 32 LEU C C 13 179.3041 0.4 . 1 . . . . . 32 LEU C . 53305 1 186 . 1 . 1 32 32 LEU CA C 13 57.93566 0.4 . 1 . . . . . 32 LEU CA . 53305 1 187 . 1 . 1 32 32 LEU CB C 13 40.28092 0.4 . 1 . . . . . 32 LEU CB . 53305 1 188 . 1 . 1 32 32 LEU N N 15 121.61324 0.2 . 1 . . . . . 32 LEU N . 53305 1 189 . 1 . 1 33 33 ALA H H 1 8.52727 0.04 . 1 . . . . . 33 ALA H . 53305 1 190 . 1 . 1 33 33 ALA C C 13 180.44817 0.4 . 1 . . . . . 33 ALA C . 53305 1 191 . 1 . 1 33 33 ALA CA C 13 55.18876 0.4 . 1 . . . . . 33 ALA CA . 53305 1 192 . 1 . 1 33 33 ALA CB C 13 17.95076 0.4 . 1 . . . . . 33 ALA CB . 53305 1 193 . 1 . 1 33 33 ALA N N 15 122.63828 0.2 . 1 . . . . . 33 ALA N . 53305 1 194 . 1 . 1 34 34 ARG H H 1 7.42942 0.04 . 1 . . . . . 34 ARG H . 53305 1 195 . 1 . 1 34 34 ARG C C 13 178.35858 0.4 . 1 . . . . . 34 ARG C . 53305 1 196 . 1 . 1 34 34 ARG CA C 13 57.37232 0.4 . 1 . . . . . 34 ARG CA . 53305 1 197 . 1 . 1 34 34 ARG CB C 13 29.98354 0.4 . 1 . . . . . 34 ARG CB . 53305 1 198 . 1 . 1 34 34 ARG N N 15 119.66932 0.2 . 1 . . . . . 34 ARG N . 53305 1 199 . 1 . 1 35 35 VAL H H 1 7.77277 0.04 . 1 . . . . . 35 VAL H . 53305 1 200 . 1 . 1 35 35 VAL C C 13 176.64112 0.4 . 1 . . . . . 35 VAL C . 53305 1 201 . 1 . 1 35 35 VAL CA C 13 67.94937 0.4 . 1 . . . . . 35 VAL CA . 53305 1 202 . 1 . 1 35 35 VAL CB C 13 30.91358 0.4 . 1 . . . . . 35 VAL CB . 53305 1 203 . 1 . 1 35 35 VAL N N 15 118.12701 0.2 . 1 . . . . . 35 VAL N . 53305 1 204 . 1 . 1 36 36 ASP H H 1 7.95642 0.04 . 1 . . . . . 36 ASP H . 53305 1 205 . 1 . 1 36 36 ASP HA H 1 3.99177 0.04 . 1 . . . . . 36 ASP HA . 53305 1 206 . 1 . 1 36 36 ASP HB2 H 1 2.88659 0.04 . 1 . . . . . 36 ASP HB2 . 53305 1 207 . 1 . 1 36 36 ASP HB3 H 1 2.88659 0.04 . 1 . . . . . 36 ASP HB3 . 53305 1 208 . 1 . 1 36 36 ASP C C 13 177.85973 0.4 . 1 . . . . . 36 ASP C . 53305 1 209 . 1 . 1 36 36 ASP CA C 13 58.16564 0.4 . 1 . . . . . 36 ASP CA . 53305 1 210 . 1 . 1 36 36 ASP CB C 13 42.60135 0.4 . 1 . . . . . 36 ASP CB . 53305 1 211 . 1 . 1 36 36 ASP CG C 13 179.1663 0.4 . 1 . . . . . 36 ASP CG . 53305 1 212 . 1 . 1 36 36 ASP N N 15 118.0453 0.2 . 1 . . . . . 36 ASP N . 53305 1 213 . 1 . 1 37 37 GLU H H 1 7.55001 0.04 . 1 . . . . . 37 GLU H . 53305 1 214 . 1 . 1 37 37 GLU C C 13 179.79794 0.4 . 1 . . . . . 37 GLU C . 53305 1 215 . 1 . 1 37 37 GLU CA C 13 59.58287 0.4 . 1 . . . . . 37 GLU CA . 53305 1 216 . 1 . 1 37 37 GLU CB C 13 30.0703 0.4 . 1 . . . . . 37 GLU CB . 53305 1 217 . 1 . 1 37 37 GLU N N 15 116.9623 0.2 . 1 . . . . . 37 GLU N . 53305 1 218 . 1 . 1 38 38 LEU H H 1 8.39751 0.04 . 1 . . . . . 38 LEU H . 53305 1 219 . 1 . 1 38 38 LEU C C 13 179.05192 0.4 . 1 . . . . . 38 LEU C . 53305 1 220 . 1 . 1 38 38 LEU CA C 13 58.0502 0.4 . 1 . . . . . 38 LEU CA . 53305 1 221 . 1 . 1 38 38 LEU CB C 13 42.39953 0.4 . 1 . . . . . 38 LEU CB . 53305 1 222 . 1 . 1 38 38 LEU N N 15 121.26015 0.2 . 1 . . . . . 38 LEU N . 53305 1 223 . 1 . 1 39 39 LEU H H 1 8.82489 0.04 . 1 . . . . . 39 LEU H . 53305 1 224 . 1 . 1 39 39 LEU C C 13 179.51864 0.4 . 1 . . . . . 39 LEU C . 53305 1 225 . 1 . 1 39 39 LEU CA C 13 58.47278 0.4 . 1 . . . . . 39 LEU CA . 53305 1 226 . 1 . 1 39 39 LEU CB C 13 40.91217 0.4 . 1 . . . . . 39 LEU CB . 53305 1 227 . 1 . 1 39 39 LEU N N 15 118.67595 0.2 . 1 . . . . . 39 LEU N . 53305 1 228 . 1 . 1 40 40 ARG H H 1 7.69003 0.04 . 1 . . . . . 40 ARG H . 53305 1 229 . 1 . 1 40 40 ARG C C 13 179.26132 0.4 . 1 . . . . . 40 ARG C . 53305 1 230 . 1 . 1 40 40 ARG CA C 13 60.20353 0.4 . 1 . . . . . 40 ARG CA . 53305 1 231 . 1 . 1 40 40 ARG CB C 13 30.00382 0.4 . 1 . . . . . 40 ARG CB . 53305 1 232 . 1 . 1 40 40 ARG N N 15 118.42562 0.2 . 1 . . . . . 40 ARG N . 53305 1 233 . 1 . 1 41 41 GLU H H 1 7.77673 0.04 . 1 . . . . . 41 GLU H . 53305 1 234 . 1 . 1 41 41 GLU C C 13 179.65786 0.4 . 1 . . . . . 41 GLU C . 53305 1 235 . 1 . 1 41 41 GLU CA C 13 59.52279 0.4 . 1 . . . . . 41 GLU CA . 53305 1 236 . 1 . 1 41 41 GLU CB C 13 29.51817 0.4 . 1 . . . . . 41 GLU CB . 53305 1 237 . 1 . 1 41 41 GLU N N 15 121.45406 0.2 . 1 . . . . . 41 GLU N . 53305 1 238 . 1 . 1 42 42 LEU H H 1 8.9037 0.04 . 1 . . . . . 42 LEU H . 53305 1 239 . 1 . 1 42 42 LEU C C 13 177.57729 0.4 . 1 . . . . . 42 LEU C . 53305 1 240 . 1 . 1 42 42 LEU CA C 13 58.30907 0.4 . 1 . . . . . 42 LEU CA . 53305 1 241 . 1 . 1 42 42 LEU CB C 13 42.40583 0.4 . 1 . . . . . 42 LEU CB . 53305 1 242 . 1 . 1 42 42 LEU N N 15 121.13962 0.2 . 1 . . . . . 42 LEU N . 53305 1 243 . 1 . 1 43 43 LYS H H 1 7.86515 0.04 . 1 . . . . . 43 LYS H . 53305 1 244 . 1 . 1 43 43 LYS C C 13 178.75444 0.4 . 1 . . . . . 43 LYS C . 53305 1 245 . 1 . 1 43 43 LYS CA C 13 60.13254 0.4 . 1 . . . . . 43 LYS CA . 53305 1 246 . 1 . 1 43 43 LYS CB C 13 32.82833 0.4 . 1 . . . . . 43 LYS CB . 53305 1 247 . 1 . 1 43 43 LYS N N 15 118.11085 0.2 . 1 . . . . . 43 LYS N . 53305 1 248 . 1 . 1 44 44 GLU H H 1 6.96486 0.04 . 1 . . . . . 44 GLU H . 53305 1 249 . 1 . 1 44 44 GLU C C 13 178.77515 0.4 . 1 . . . . . 44 GLU C . 53305 1 250 . 1 . 1 44 44 GLU CA C 13 58.16102 0.4 . 1 . . . . . 44 GLU CA . 53305 1 251 . 1 . 1 44 44 GLU CB C 13 29.55994 0.4 . 1 . . . . . 44 GLU CB . 53305 1 252 . 1 . 1 44 44 GLU N N 15 115.59827 0.2 . 1 . . . . . 44 GLU N . 53305 1 253 . 1 . 1 45 45 ILE H H 1 8.11629 0.04 . 1 . . . . . 45 ILE H . 53305 1 254 . 1 . 1 45 45 ILE C C 13 177.63959 0.4 . 1 . . . . . 45 ILE C . 53305 1 255 . 1 . 1 45 45 ILE CA C 13 65.02782 0.4 . 1 . . . . . 45 ILE CA . 53305 1 256 . 1 . 1 45 45 ILE CB C 13 37.79586 0.4 . 1 . . . . . 45 ILE CB . 53305 1 257 . 1 . 1 45 45 ILE N N 15 120.13469 0.2 . 1 . . . . . 45 ILE N . 53305 1 258 . 1 . 1 46 46 LEU H H 1 8.62779 0.04 . 1 . . . . . 46 LEU H . 53305 1 259 . 1 . 1 46 46 LEU C C 13 178.64984 0.4 . 1 . . . . . 46 LEU C . 53305 1 260 . 1 . 1 46 46 LEU CA C 13 58.41089 0.4 . 1 . . . . . 46 LEU CA . 53305 1 261 . 1 . 1 46 46 LEU CB C 13 41.77647 0.4 . 1 . . . . . 46 LEU CB . 53305 1 262 . 1 . 1 46 46 LEU N N 15 122.04039 0.2 . 1 . . . . . 46 LEU N . 53305 1 263 . 1 . 1 47 47 ARG H H 1 7.24887 0.04 . 1 . . . . . 47 ARG H . 53305 1 264 . 1 . 1 47 47 ARG C C 13 178.99147 0.4 . 1 . . . . . 47 ARG C . 53305 1 265 . 1 . 1 47 47 ARG CA C 13 59.79377 0.4 . 1 . . . . . 47 ARG CA . 53305 1 266 . 1 . 1 47 47 ARG CB C 13 29.84151 0.4 . 1 . . . . . 47 ARG CB . 53305 1 267 . 1 . 1 47 47 ARG N N 15 117.41587 0.2 . 1 . . . . . 47 ARG N . 53305 1 268 . 1 . 1 48 48 LYS H H 1 7.58392 0.04 . 1 . . . . . 48 LYS H . 53305 1 269 . 1 . 1 48 48 LYS C C 13 178.04461 0.4 . 1 . . . . . 48 LYS C . 53305 1 270 . 1 . 1 48 48 LYS CA C 13 59.92413 0.4 . 1 . . . . . 48 LYS CA . 53305 1 271 . 1 . 1 48 48 LYS CB C 13 32.78792 0.4 . 1 . . . . . 48 LYS CB . 53305 1 272 . 1 . 1 48 48 LYS N N 15 119.41732 0.2 . 1 . . . . . 48 LYS N . 53305 1 273 . 1 . 1 49 49 ASP H H 1 8.02095 0.04 . 1 . . . . . 49 ASP H . 53305 1 274 . 1 . 1 49 49 ASP HA H 1 3.65994 0.04 . 1 . . . . . 49 ASP HA . 53305 1 275 . 1 . 1 49 49 ASP HB2 H 1 2.11893 0.04 . 2 . . . . . 49 ASP HB2 . 53305 1 276 . 1 . 1 49 49 ASP HB3 H 1 3.13432 0.04 . 2 . . . . . 49 ASP HB3 . 53305 1 277 . 1 . 1 49 49 ASP C C 13 176.2608 0.4 . 1 . . . . . 49 ASP C . 53305 1 278 . 1 . 1 49 49 ASP CA C 13 56.94518 0.4 . 1 . . . . . 49 ASP CA . 53305 1 279 . 1 . 1 49 49 ASP CB C 13 39.83056 0.4 . 1 . . . . . 49 ASP CB . 53305 1 280 . 1 . 1 49 49 ASP CG C 13 176.0438 0.4 . 1 . . . . . 49 ASP CG . 53305 1 281 . 1 . 1 49 49 ASP N N 15 121.38732 0.2 . 1 . . . . . 49 ASP N . 53305 1 282 . 1 . 1 50 50 LEU H H 1 8.14948 0.04 . 1 . . . . . 50 LEU H . 53305 1 283 . 1 . 1 50 50 LEU C C 13 178.85207 0.4 . 1 . . . . . 50 LEU C . 53305 1 284 . 1 . 1 50 50 LEU CA C 13 59.35791 0.4 . 1 . . . . . 50 LEU CA . 53305 1 285 . 1 . 1 50 50 LEU CB C 13 42.58284 0.4 . 1 . . . . . 50 LEU CB . 53305 1 286 . 1 . 1 50 50 LEU N N 15 117.57742 0.2 . 1 . . . . . 50 LEU N . 53305 1 287 . 1 . 1 51 51 LYS H H 1 7.84614 0.04 . 1 . . . . . 51 LYS H . 53305 1 288 . 1 . 1 51 51 LYS C C 13 179.12288 0.4 . 1 . . . . . 51 LYS C . 53305 1 289 . 1 . 1 51 51 LYS CA C 13 59.25323 0.4 . 1 . . . . . 51 LYS CA . 53305 1 290 . 1 . 1 51 51 LYS CB C 13 32.67307 0.4 . 1 . . . . . 51 LYS CB . 53305 1 291 . 1 . 1 51 51 LYS N N 15 116.52707 0.2 . 1 . . . . . 51 LYS N . 53305 1 292 . 1 . 1 52 52 LEU H H 1 8.12524 0.04 . 1 . . . . . 52 LEU H . 53305 1 293 . 1 . 1 52 52 LEU C C 13 178.94035 0.4 . 1 . . . . . 52 LEU C . 53305 1 294 . 1 . 1 52 52 LEU CA C 13 57.48765 0.4 . 1 . . . . . 52 LEU CA . 53305 1 295 . 1 . 1 52 52 LEU CB C 13 41.61977 0.4 . 1 . . . . . 52 LEU CB . 53305 1 296 . 1 . 1 52 52 LEU N N 15 120.97011 0.2 . 1 . . . . . 52 LEU N . 53305 1 297 . 1 . 1 53 53 ALA H H 1 9.00226 0.04 . 1 . . . . . 53 ALA H . 53305 1 298 . 1 . 1 53 53 ALA C C 13 179.79378 0.4 . 1 . . . . . 53 ALA C . 53305 1 299 . 1 . 1 53 53 ALA CA C 13 56.07967 0.4 . 1 . . . . . 53 ALA CA . 53305 1 300 . 1 . 1 53 53 ALA CB C 13 16.5988 0.4 . 1 . . . . . 53 ALA CB . 53305 1 301 . 1 . 1 53 53 ALA N N 15 122.96011 0.2 . 1 . . . . . 53 ALA N . 53305 1 302 . 1 . 1 54 54 GLU H H 1 8.36352 0.04 . 1 . . . . . 54 GLU H . 53305 1 303 . 1 . 1 54 54 GLU C C 13 179.83725 0.4 . 1 . . . . . 54 GLU C . 53305 1 304 . 1 . 1 54 54 GLU CA C 13 60.02 0.4 . 1 . . . . . 54 GLU CA . 53305 1 305 . 1 . 1 54 54 GLU CB C 13 29.65477 0.4 . 1 . . . . . 54 GLU CB . 53305 1 306 . 1 . 1 54 54 GLU N N 15 117.54193 0.2 . 1 . . . . . 54 GLU N . 53305 1 307 . 1 . 1 55 55 GLU H H 1 8.19088 0.04 . 1 . . . . . 55 GLU H . 53305 1 308 . 1 . 1 55 55 GLU C C 13 180.2372 0.4 . 1 . . . . . 55 GLU C . 53305 1 309 . 1 . 1 55 55 GLU CA C 13 59.69215 0.4 . 1 . . . . . 55 GLU CA . 53305 1 310 . 1 . 1 55 55 GLU CB C 13 29.75215 0.4 . 1 . . . . . 55 GLU CB . 53305 1 311 . 1 . 1 55 55 GLU N N 15 121.20415 0.2 . 1 . . . . . 55 GLU N . 53305 1 312 . 1 . 1 56 56 MET H H 1 8.75251 0.04 . 1 . . . . . 56 MET H . 53305 1 313 . 1 . 1 56 56 MET C C 13 177.09473 0.4 . 1 . . . . . 56 MET C . 53305 1 314 . 1 . 1 56 56 MET CA C 13 60.02852 0.4 . 1 . . . . . 56 MET CA . 53305 1 315 . 1 . 1 56 56 MET CB C 13 34.09292 0.4 . 1 . . . . . 56 MET CB . 53305 1 316 . 1 . 1 56 56 MET N N 15 118.72142 0.2 . 1 . . . . . 56 MET N . 53305 1 317 . 1 . 1 57 57 LYS H H 1 8.36457 0.04 . 1 . . . . . 57 LYS H . 53305 1 318 . 1 . 1 57 57 LYS C C 13 177.65629 0.4 . 1 . . . . . 57 LYS C . 53305 1 319 . 1 . 1 57 57 LYS CA C 13 61.08297 0.4 . 1 . . . . . 57 LYS CA . 53305 1 320 . 1 . 1 57 57 LYS CB C 13 31.54289 0.4 . 1 . . . . . 57 LYS CB . 53305 1 321 . 1 . 1 57 57 LYS N N 15 120.75889 0.2 . 1 . . . . . 57 LYS N . 53305 1 322 . 1 . 1 58 58 LYS H H 1 7.77665 0.04 . 1 . . . . . 58 LYS H . 53305 1 323 . 1 . 1 58 58 LYS C C 13 178.97774 0.4 . 1 . . . . . 58 LYS C . 53305 1 324 . 1 . 1 58 58 LYS CA C 13 59.24966 0.4 . 1 . . . . . 58 LYS CA . 53305 1 325 . 1 . 1 58 58 LYS CB C 13 32.21753 0.4 . 1 . . . . . 58 LYS CB . 53305 1 326 . 1 . 1 58 58 LYS N N 15 118.82733 0.2 . 1 . . . . . 58 LYS N . 53305 1 327 . 1 . 1 59 59 GLU H H 1 7.85888 0.04 . 1 . . . . . 59 GLU H . 53305 1 328 . 1 . 1 59 59 GLU C C 13 179.53075 0.4 . 1 . . . . . 59 GLU C . 53305 1 329 . 1 . 1 59 59 GLU CA C 13 59.52694 0.4 . 1 . . . . . 59 GLU CA . 53305 1 330 . 1 . 1 59 59 GLU CB C 13 29.50649 0.4 . 1 . . . . . 59 GLU CB . 53305 1 331 . 1 . 1 59 59 GLU N N 15 119.2547 0.2 . 1 . . . . . 59 GLU N . 53305 1 332 . 1 . 1 60 60 ALA H H 1 8.85647 0.04 . 1 . . . . . 60 ALA H . 53305 1 333 . 1 . 1 60 60 ALA C C 13 178.70641 0.4 . 1 . . . . . 60 ALA C . 53305 1 334 . 1 . 1 60 60 ALA CA C 13 55.44096 0.4 . 1 . . . . . 60 ALA CA . 53305 1 335 . 1 . 1 60 60 ALA CB C 13 17.86092 0.4 . 1 . . . . . 60 ALA CB . 53305 1 336 . 1 . 1 60 60 ALA N N 15 123.1685 0.2 . 1 . . . . . 60 ALA N . 53305 1 337 . 1 . 1 61 61 GLU H H 1 8.43225 0.04 . 1 . . . . . 61 GLU H . 53305 1 338 . 1 . 1 61 61 GLU C C 13 180.9776 0.4 . 1 . . . . . 61 GLU C . 53305 1 339 . 1 . 1 61 61 GLU CA C 13 59.56421 0.4 . 1 . . . . . 61 GLU CA . 53305 1 340 . 1 . 1 61 61 GLU CB C 13 29.63518 0.4 . 1 . . . . . 61 GLU CB . 53305 1 341 . 1 . 1 61 61 GLU N N 15 120.14991 0.2 . 1 . . . . . 61 GLU N . 53305 1 342 . 1 . 1 62 62 GLU H H 1 8.19647 0.04 . 1 . . . . . 62 GLU H . 53305 1 343 . 1 . 1 62 62 GLU C C 13 178.00921 0.4 . 1 . . . . . 62 GLU C . 53305 1 344 . 1 . 1 62 62 GLU CA C 13 59.2558 0.4 . 1 . . . . . 62 GLU CA . 53305 1 345 . 1 . 1 62 62 GLU CB C 13 29.27346 0.4 . 1 . . . . . 62 GLU CB . 53305 1 346 . 1 . 1 62 62 GLU N N 15 121.52951 0.2 . 1 . . . . . 62 GLU N . 53305 1 347 . 1 . 1 63 63 ALA H H 1 7.73061 0.04 . 1 . . . . . 63 ALA H . 53305 1 348 . 1 . 1 63 63 ALA C C 13 178.03363 0.4 . 1 . . . . . 63 ALA C . 53305 1 349 . 1 . 1 63 63 ALA CA C 13 52.27201 0.4 . 1 . . . . . 63 ALA CA . 53305 1 350 . 1 . 1 63 63 ALA CB C 13 18.94308 0.4 . 1 . . . . . 63 ALA CB . 53305 1 351 . 1 . 1 63 63 ALA N N 15 118.48671 0.2 . 1 . . . . . 63 ALA N . 53305 1 352 . 1 . 1 64 64 GLY H H 1 7.80841 0.04 . 1 . . . . . 64 GLY H . 53305 1 353 . 1 . 1 64 64 GLY C C 13 174.4349 0.4 . 1 . . . . . 64 GLY C . 53305 1 354 . 1 . 1 64 64 GLY CA C 13 45.90842 0.4 . 1 . . . . . 64 GLY CA . 53305 1 355 . 1 . 1 64 64 GLY N N 15 107.72272 0.2 . 1 . . . . . 64 GLY N . 53305 1 356 . 1 . 1 65 65 ASN H H 1 8.02798 0.04 . 1 . . . . . 65 ASN H . 53305 1 357 . 1 . 1 65 65 ASN C C 13 174.13974 0.4 . 1 . . . . . 65 ASN C . 53305 1 358 . 1 . 1 65 65 ASN CA C 13 51.126 0.4 . 1 . . . . . 65 ASN CA . 53305 1 359 . 1 . 1 65 65 ASN CB C 13 36.73814 0.4 . 1 . . . . . 65 ASN CB . 53305 1 360 . 1 . 1 65 65 ASN N N 15 118.27341 0.2 . 1 . . . . . 65 ASN N . 53305 1 361 . 1 . 1 66 66 LYS H H 1 7.90048 0.04 . 1 . . . . . 66 LYS H . 53305 1 362 . 1 . 1 66 66 LYS C C 13 178.46769 0.4 . 1 . . . . . 66 LYS C . 53305 1 363 . 1 . 1 66 66 LYS CA C 13 59.53576 0.4 . 1 . . . . . 66 LYS CA . 53305 1 364 . 1 . 1 66 66 LYS CB C 13 32.56459 0.4 . 1 . . . . . 66 LYS CB . 53305 1 365 . 1 . 1 66 66 LYS N N 15 124.21032 0.2 . 1 . . . . . 66 LYS N . 53305 1 366 . 1 . 1 67 67 GLU H H 1 8.77893 0.04 . 1 . . . . . 67 GLU H . 53305 1 367 . 1 . 1 67 67 GLU C C 13 178.90435 0.4 . 1 . . . . . 67 GLU C . 53305 1 368 . 1 . 1 67 67 GLU CA C 13 60.07325 0.4 . 1 . . . . . 67 GLU CA . 53305 1 369 . 1 . 1 67 67 GLU CB C 13 29.00953 0.4 . 1 . . . . . 67 GLU CB . 53305 1 370 . 1 . 1 67 67 GLU N N 15 119.4279 0.2 . 1 . . . . . 67 GLU N . 53305 1 371 . 1 . 1 68 68 ALA H H 1 7.59865 0.04 . 1 . . . . . 68 ALA H . 53305 1 372 . 1 . 1 68 68 ALA C C 13 179.06444 0.4 . 1 . . . . . 68 ALA C . 53305 1 373 . 1 . 1 68 68 ALA CA C 13 54.90582 0.4 . 1 . . . . . 68 ALA CA . 53305 1 374 . 1 . 1 68 68 ALA CB C 13 17.81375 0.4 . 1 . . . . . 68 ALA CB . 53305 1 375 . 1 . 1 68 68 ALA N N 15 118.76187 0.2 . 1 . . . . . 68 ALA N . 53305 1 376 . 1 . 1 69 69 VAL H H 1 8.03148 0.04 . 1 . . . . . 69 VAL H . 53305 1 377 . 1 . 1 69 69 VAL C C 13 177.34626 0.4 . 1 . . . . . 69 VAL C . 53305 1 378 . 1 . 1 69 69 VAL CA C 13 68.40244 0.4 . 1 . . . . . 69 VAL CA . 53305 1 379 . 1 . 1 69 69 VAL CB C 13 31.60218 0.4 . 1 . . . . . 69 VAL CB . 53305 1 380 . 1 . 1 69 69 VAL N N 15 117.34099 0.2 . 1 . . . . . 69 VAL N . 53305 1 381 . 1 . 1 70 70 GLU H H 1 7.85629 0.04 . 1 . . . . . 70 GLU H . 53305 1 382 . 1 . 1 70 70 GLU C C 13 179.95779 0.4 . 1 . . . . . 70 GLU C . 53305 1 383 . 1 . 1 70 70 GLU CA C 13 59.73856 0.4 . 1 . . . . . 70 GLU CA . 53305 1 384 . 1 . 1 70 70 GLU CB C 13 29.28019 0.4 . 1 . . . . . 70 GLU CB . 53305 1 385 . 1 . 1 70 70 GLU N N 15 117.97968 0.2 . 1 . . . . . 70 GLU N . 53305 1 386 . 1 . 1 71 71 LEU H H 1 7.66886 0.04 . 1 . . . . . 71 LEU H . 53305 1 387 . 1 . 1 71 71 LEU C C 13 180.81964 0.4 . 1 . . . . . 71 LEU C . 53305 1 388 . 1 . 1 71 71 LEU CA C 13 57.62351 0.4 . 1 . . . . . 71 LEU CA . 53305 1 389 . 1 . 1 71 71 LEU CB C 13 43.60085 0.4 . 1 . . . . . 71 LEU CB . 53305 1 390 . 1 . 1 71 71 LEU N N 15 119.14814 0.2 . 1 . . . . . 71 LEU N . 53305 1 391 . 1 . 1 72 72 LEU H H 1 8.73976 0.04 . 1 . . . . . 72 LEU H . 53305 1 392 . 1 . 1 72 72 LEU C C 13 178.71144 0.4 . 1 . . . . . 72 LEU C . 53305 1 393 . 1 . 1 72 72 LEU CA C 13 58.09835 0.4 . 1 . . . . . 72 LEU CA . 53305 1 394 . 1 . 1 72 72 LEU CB C 13 41.08719 0.4 . 1 . . . . . 72 LEU CB . 53305 1 395 . 1 . 1 72 72 LEU N N 15 122.63963 0.2 . 1 . . . . . 72 LEU N . 53305 1 396 . 1 . 1 73 73 GLU H H 1 8.85559 0.04 . 1 . . . . . 73 GLU H . 53305 1 397 . 1 . 1 73 73 GLU C C 13 179.55091 0.4 . 1 . . . . . 73 GLU C . 53305 1 398 . 1 . 1 73 73 GLU CA C 13 59.77489 0.4 . 1 . . . . . 73 GLU CA . 53305 1 399 . 1 . 1 73 73 GLU CB C 13 28.70481 0.4 . 1 . . . . . 73 GLU CB . 53305 1 400 . 1 . 1 73 73 GLU N N 15 121.82648 0.2 . 1 . . . . . 73 GLU N . 53305 1 401 . 1 . 1 74 74 GLU H H 1 7.55029 0.04 . 1 . . . . . 74 GLU H . 53305 1 402 . 1 . 1 74 74 GLU C C 13 179.24324 0.4 . 1 . . . . . 74 GLU C . 53305 1 403 . 1 . 1 74 74 GLU CA C 13 59.5754 0.4 . 1 . . . . . 74 GLU CA . 53305 1 404 . 1 . 1 74 74 GLU CB C 13 28.74957 0.4 . 1 . . . . . 74 GLU CB . 53305 1 405 . 1 . 1 74 74 GLU N N 15 119.85501 0.2 . 1 . . . . . 74 GLU N . 53305 1 406 . 1 . 1 75 75 GLN H H 1 8.07268 0.04 . 1 . . . . . 75 GLN H . 53305 1 407 . 1 . 1 75 75 GLN C C 13 177.86772 0.4 . 1 . . . . . 75 GLN C . 53305 1 408 . 1 . 1 75 75 GLN CA C 13 58.53512 0.4 . 1 . . . . . 75 GLN CA . 53305 1 409 . 1 . 1 75 75 GLN CB C 13 27.79038 0.4 . 1 . . . . . 75 GLN CB . 53305 1 410 . 1 . 1 75 75 GLN N N 15 122.39068 0.2 . 1 . . . . . 75 GLN N . 53305 1 411 . 1 . 1 76 76 LEU H H 1 8.51904 0.04 . 1 . . . . . 76 LEU H . 53305 1 412 . 1 . 1 76 76 LEU C C 13 178.81091 0.4 . 1 . . . . . 76 LEU C . 53305 1 413 . 1 . 1 76 76 LEU CA C 13 58.52366 0.4 . 1 . . . . . 76 LEU CA . 53305 1 414 . 1 . 1 76 76 LEU CB C 13 42.19068 0.4 . 1 . . . . . 76 LEU CB . 53305 1 415 . 1 . 1 76 76 LEU N N 15 118.87236 0.2 . 1 . . . . . 76 LEU N . 53305 1 416 . 1 . 1 77 77 GLU H H 1 8.18066 0.04 . 1 . . . . . 77 GLU H . 53305 1 417 . 1 . 1 77 77 GLU C C 13 180.01603 0.4 . 1 . . . . . 77 GLU C . 53305 1 418 . 1 . 1 77 77 GLU CA C 13 59.4717 0.4 . 1 . . . . . 77 GLU CA . 53305 1 419 . 1 . 1 77 77 GLU CB C 13 29.13364 0.4 . 1 . . . . . 77 GLU CB . 53305 1 420 . 1 . 1 77 77 GLU N N 15 118.85675 0.2 . 1 . . . . . 77 GLU N . 53305 1 421 . 1 . 1 78 78 GLY H H 1 7.93231 0.04 . 1 . . . . . 78 GLY H . 53305 1 422 . 1 . 1 78 78 GLY C C 13 175.69068 0.4 . 1 . . . . . 78 GLY C . 53305 1 423 . 1 . 1 78 78 GLY CA C 13 47.51432 0.4 . 1 . . . . . 78 GLY CA . 53305 1 424 . 1 . 1 78 78 GLY N N 15 107.73429 0.2 . 1 . . . . . 78 GLY N . 53305 1 425 . 1 . 1 79 79 LEU H H 1 8.52216 0.04 . 1 . . . . . 79 LEU H . 53305 1 426 . 1 . 1 79 79 LEU HA H 1 3.72343 0.04 . 1 . . . . . 79 LEU HA . 53305 1 427 . 1 . 1 79 79 LEU HB2 H 1 1.24478 0.04 . 2 . . . . . 79 LEU HB2 . 53305 1 428 . 1 . 1 79 79 LEU HB3 H 1 1.90931 0.04 . 2 . . . . . 79 LEU HB3 . 53305 1 429 . 1 . 1 79 79 LEU HD11 H 1 0.42853 0.04 . 2 . . . . . 79 LEU HD1# . 53305 1 430 . 1 . 1 79 79 LEU HD12 H 1 0.42853 0.04 . 2 . . . . . 79 LEU HD1# . 53305 1 431 . 1 . 1 79 79 LEU HD13 H 1 0.42853 0.04 . 2 . . . . . 79 LEU HD1# . 53305 1 432 . 1 . 1 79 79 LEU HD21 H 1 0.83592 0.04 . 2 . . . . . 79 LEU HD2# . 53305 1 433 . 1 . 1 79 79 LEU HD22 H 1 0.83592 0.04 . 2 . . . . . 79 LEU HD2# . 53305 1 434 . 1 . 1 79 79 LEU HD23 H 1 0.83592 0.04 . 2 . . . . . 79 LEU HD2# . 53305 1 435 . 1 . 1 79 79 LEU C C 13 179.44383 0.4 . 1 . . . . . 79 LEU C . 53305 1 436 . 1 . 1 79 79 LEU CA C 13 57.55555 0.4 . 1 . . . . . 79 LEU CA . 53305 1 437 . 1 . 1 79 79 LEU CB C 13 42.92956 0.4 . 1 . . . . . 79 LEU CB . 53305 1 438 . 1 . 1 79 79 LEU CD1 C 13 21.99063 0.4 . 2 . . . . . 79 LEU CD1 . 53305 1 439 . 1 . 1 79 79 LEU CD2 C 13 26.33826 0.4 . 2 . . . . . 79 LEU CD2 . 53305 1 440 . 1 . 1 79 79 LEU N N 15 122.63349 0.2 . 1 . . . . . 79 LEU N . 53305 1 441 . 1 . 1 80 80 LYS H H 1 8.52227 0.04 . 1 . . . . . 80 LYS H . 53305 1 442 . 1 . 1 80 80 LYS C C 13 180.05822 0.4 . 1 . . . . . 80 LYS C . 53305 1 443 . 1 . 1 80 80 LYS CA C 13 60.07317 0.4 . 1 . . . . . 80 LYS CA . 53305 1 444 . 1 . 1 80 80 LYS CB C 13 32.12559 0.4 . 1 . . . . . 80 LYS CB . 53305 1 445 . 1 . 1 80 80 LYS N N 15 119.01799 0.2 . 1 . . . . . 80 LYS N . 53305 1 446 . 1 . 1 81 81 LYS H H 1 7.65838 0.04 . 1 . . . . . 81 LYS H . 53305 1 447 . 1 . 1 81 81 LYS C C 13 179.32866 0.4 . 1 . . . . . 81 LYS C . 53305 1 448 . 1 . 1 81 81 LYS CA C 13 59.87617 0.4 . 1 . . . . . 81 LYS CA . 53305 1 449 . 1 . 1 81 81 LYS CB C 13 32.22953 0.4 . 1 . . . . . 81 LYS CB . 53305 1 450 . 1 . 1 81 81 LYS N N 15 122.02124 0.2 . 1 . . . . . 81 LYS N . 53305 1 451 . 1 . 1 82 82 ILE H H 1 7.91942 0.04 . 1 . . . . . 82 ILE H . 53305 1 452 . 1 . 1 82 82 ILE HA H 1 3.4958 0.04 . 1 . . . . . 82 ILE HA . 53305 1 453 . 1 . 1 82 82 ILE HB H 1 1.92581 0.04 . 1 . . . . . 82 ILE HB . 53305 1 454 . 1 . 1 82 82 ILE HG12 H 1 0.75288 0.04 . 1 . . . . . 82 ILE HG12 . 53305 1 455 . 1 . 1 82 82 ILE HG13 H 1 0.75288 0.04 . 1 . . . . . 82 ILE HG13 . 53305 1 456 . 1 . 1 82 82 ILE HG21 H 1 1.02218 0.04 . 1 . . . . . 82 ILE HG2# . 53305 1 457 . 1 . 1 82 82 ILE HG22 H 1 1.02218 0.04 . 1 . . . . . 82 ILE HG2# . 53305 1 458 . 1 . 1 82 82 ILE HG23 H 1 1.02218 0.04 . 1 . . . . . 82 ILE HG2# . 53305 1 459 . 1 . 1 82 82 ILE HD11 H 1 0.3748 0.04 . 1 . . . . . 82 ILE HD1# . 53305 1 460 . 1 . 1 82 82 ILE HD12 H 1 0.3748 0.04 . 1 . . . . . 82 ILE HD1# . 53305 1 461 . 1 . 1 82 82 ILE HD13 H 1 0.3748 0.04 . 1 . . . . . 82 ILE HD1# . 53305 1 462 . 1 . 1 82 82 ILE C C 13 177.51465 0.4 . 1 . . . . . 82 ILE C . 53305 1 463 . 1 . 1 82 82 ILE CA C 13 66.19769 0.4 . 1 . . . . . 82 ILE CA . 53305 1 464 . 1 . 1 82 82 ILE CB C 13 37.85031 0.4 . 1 . . . . . 82 ILE CB . 53305 1 465 . 1 . 1 82 82 ILE CG1 C 13 30.16656 0.4 . 1 . . . . . 82 ILE CG1 . 53305 1 466 . 1 . 1 82 82 ILE CG2 C 13 16.93226 0.4 . 1 . . . . . 82 ILE CG2 . 53305 1 467 . 1 . 1 82 82 ILE CD1 C 13 12.63681 0.4 . 1 . . . . . 82 ILE CD1 . 53305 1 468 . 1 . 1 82 82 ILE N N 15 120.85729 0.2 . 1 . . . . . 82 ILE N . 53305 1 469 . 1 . 1 83 83 GLN H H 1 9.08768 0.04 . 1 . . . . . 83 GLN H . 53305 1 470 . 1 . 1 83 83 GLN C C 13 177.57922 0.4 . 1 . . . . . 83 GLN C . 53305 1 471 . 1 . 1 83 83 GLN CA C 13 59.82725 0.4 . 1 . . . . . 83 GLN CA . 53305 1 472 . 1 . 1 83 83 GLN CB C 13 28.81178 0.4 . 1 . . . . . 83 GLN CB . 53305 1 473 . 1 . 1 83 83 GLN N N 15 120.54321 0.2 . 1 . . . . . 83 GLN N . 53305 1 474 . 1 . 1 84 84 ALA H H 1 7.91202 0.04 . 1 . . . . . 84 ALA H . 53305 1 475 . 1 . 1 84 84 ALA C C 13 181.49218 0.4 . 1 . . . . . 84 ALA C . 53305 1 476 . 1 . 1 84 84 ALA CA C 13 55.43611 0.4 . 1 . . . . . 84 ALA CA . 53305 1 477 . 1 . 1 84 84 ALA CB C 13 17.94847 0.4 . 1 . . . . . 84 ALA CB . 53305 1 478 . 1 . 1 84 84 ALA N N 15 121.23915 0.2 . 1 . . . . . 84 ALA N . 53305 1 479 . 1 . 1 85 85 MET H H 1 7.95183 0.04 . 1 . . . . . 85 MET H . 53305 1 480 . 1 . 1 85 85 MET C C 13 177.95425 0.4 . 1 . . . . . 85 MET C . 53305 1 481 . 1 . 1 85 85 MET CA C 13 59.81316 0.4 . 1 . . . . . 85 MET CA . 53305 1 482 . 1 . 1 85 85 MET CB C 13 34.69142 0.4 . 1 . . . . . 85 MET CB . 53305 1 483 . 1 . 1 85 85 MET N N 15 118.97736 0.2 . 1 . . . . . 85 MET N . 53305 1 484 . 1 . 1 86 86 PHE H H 1 9.29062 0.04 . 1 . . . . . 86 PHE H . 53305 1 485 . 1 . 1 86 86 PHE C C 13 176.83036 0.4 . 1 . . . . . 86 PHE C . 53305 1 486 . 1 . 1 86 86 PHE CA C 13 60.10067 0.4 . 1 . . . . . 86 PHE CA . 53305 1 487 . 1 . 1 86 86 PHE CB C 13 38.59089 0.4 . 1 . . . . . 86 PHE CB . 53305 1 488 . 1 . 1 86 86 PHE N N 15 121.843 0.2 . 1 . . . . . 86 PHE N . 53305 1 489 . 1 . 1 87 87 GLU H H 1 8.40353 0.04 . 1 . . . . . 87 GLU H . 53305 1 490 . 1 . 1 87 87 GLU C C 13 180.05887 0.4 . 1 . . . . . 87 GLU C . 53305 1 491 . 1 . 1 87 87 GLU CA C 13 59.94287 0.4 . 1 . . . . . 87 GLU CA . 53305 1 492 . 1 . 1 87 87 GLU CB C 13 28.92716 0.4 . 1 . . . . . 87 GLU CB . 53305 1 493 . 1 . 1 87 87 GLU N N 15 119.11379 0.2 . 1 . . . . . 87 GLU N . 53305 1 494 . 1 . 1 88 88 GLU H H 1 7.5464 0.04 . 1 . . . . . 88 GLU H . 53305 1 495 . 1 . 1 88 88 GLU C C 13 178.76302 0.4 . 1 . . . . . 88 GLU C . 53305 1 496 . 1 . 1 88 88 GLU CA C 13 59.51944 0.4 . 1 . . . . . 88 GLU CA . 53305 1 497 . 1 . 1 88 88 GLU CB C 13 29.39163 0.4 . 1 . . . . . 88 GLU CB . 53305 1 498 . 1 . 1 88 88 GLU N N 15 119.71598 0.2 . 1 . . . . . 88 GLU N . 53305 1 499 . 1 . 1 89 89 ALA H H 1 8.98713 0.04 . 1 . . . . . 89 ALA H . 53305 1 500 . 1 . 1 89 89 ALA C C 13 179.53873 0.4 . 1 . . . . . 89 ALA C . 53305 1 501 . 1 . 1 89 89 ALA CA C 13 55.63949 0.4 . 1 . . . . . 89 ALA CA . 53305 1 502 . 1 . 1 89 89 ALA CB C 13 16.57441 0.4 . 1 . . . . . 89 ALA CB . 53305 1 503 . 1 . 1 89 89 ALA N N 15 125.12488 0.2 . 1 . . . . . 89 ALA N . 53305 1 504 . 1 . 1 90 90 VAL H H 1 8.70906 0.04 . 1 . . . . . 90 VAL H . 53305 1 505 . 1 . 1 90 90 VAL C C 13 178.07796 0.4 . 1 . . . . . 90 VAL C . 53305 1 506 . 1 . 1 90 90 VAL CA C 13 67.51587 0.4 . 1 . . . . . 90 VAL CA . 53305 1 507 . 1 . 1 90 90 VAL CB C 13 31.49201 0.4 . 1 . . . . . 90 VAL CB . 53305 1 508 . 1 . 1 90 90 VAL N N 15 119.17832 0.2 . 1 . . . . . 90 VAL N . 53305 1 509 . 1 . 1 91 91 GLU H H 1 7.47661 0.04 . 1 . . . . . 91 GLU H . 53305 1 510 . 1 . 1 91 91 GLU C C 13 179.27551 0.4 . 1 . . . . . 91 GLU C . 53305 1 511 . 1 . 1 91 91 GLU CA C 13 59.533 0.4 . 1 . . . . . 91 GLU CA . 53305 1 512 . 1 . 1 91 91 GLU CB C 13 28.96547 0.4 . 1 . . . . . 91 GLU CB . 53305 1 513 . 1 . 1 91 91 GLU N N 15 119.11634 0.2 . 1 . . . . . 91 GLU N . 53305 1 514 . 1 . 1 92 92 ALA H H 1 8.36224 0.04 . 1 . . . . . 92 ALA H . 53305 1 515 . 1 . 1 92 92 ALA C C 13 179.00584 0.4 . 1 . . . . . 92 ALA C . 53305 1 516 . 1 . 1 92 92 ALA CA C 13 55.38322 0.4 . 1 . . . . . 92 ALA CA . 53305 1 517 . 1 . 1 92 92 ALA CB C 13 17.50108 0.4 . 1 . . . . . 92 ALA CB . 53305 1 518 . 1 . 1 92 92 ALA N N 15 122.71064 0.2 . 1 . . . . . 92 ALA N . 53305 1 519 . 1 . 1 93 93 PHE H H 1 8.85767 0.04 . 1 . . . . . 93 PHE H . 53305 1 520 . 1 . 1 93 93 PHE C C 13 179.52706 0.4 . 1 . . . . . 93 PHE C . 53305 1 521 . 1 . 1 93 93 PHE CA C 13 61.38213 0.4 . 1 . . . . . 93 PHE CA . 53305 1 522 . 1 . 1 93 93 PHE CB C 13 39.18979 0.4 . 1 . . . . . 93 PHE CB . 53305 1 523 . 1 . 1 93 93 PHE N N 15 119.61744 0.2 . 1 . . . . . 93 PHE N . 53305 1 524 . 1 . 1 94 94 ARG H H 1 8.61937 0.04 . 1 . . . . . 94 ARG H . 53305 1 525 . 1 . 1 94 94 ARG C C 13 177.86992 0.4 . 1 . . . . . 94 ARG C . 53305 1 526 . 1 . 1 94 94 ARG CA C 13 58.98344 0.4 . 1 . . . . . 94 ARG CA . 53305 1 527 . 1 . 1 94 94 ARG CB C 13 29.98389 0.4 . 1 . . . . . 94 ARG CB . 53305 1 528 . 1 . 1 94 94 ARG N N 15 119.55155 0.2 . 1 . . . . . 94 ARG N . 53305 1 529 . 1 . 1 95 95 ALA H H 1 7.77743 0.04 . 1 . . . . . 95 ALA H . 53305 1 530 . 1 . 1 95 95 ALA C C 13 177.93819 0.4 . 1 . . . . . 95 ALA C . 53305 1 531 . 1 . 1 95 95 ALA CA C 13 52.36083 0.4 . 1 . . . . . 95 ALA CA . 53305 1 532 . 1 . 1 95 95 ALA CB C 13 19.01342 0.4 . 1 . . . . . 95 ALA CB . 53305 1 533 . 1 . 1 95 95 ALA N N 15 118.74074 0.2 . 1 . . . . . 95 ALA N . 53305 1 534 . 1 . 1 96 96 GLY H H 1 7.67687 0.04 . 1 . . . . . 96 GLY H . 53305 1 535 . 1 . 1 96 96 GLY C C 13 174.34897 0.4 . 1 . . . . . 96 GLY C . 53305 1 536 . 1 . 1 96 96 GLY CA C 13 45.66145 0.4 . 1 . . . . . 96 GLY CA . 53305 1 537 . 1 . 1 96 96 GLY N N 15 107.20152 0.2 . 1 . . . . . 96 GLY N . 53305 1 538 . 1 . 1 97 97 ASP H H 1 8.29316 0.04 . 1 . . . . . 97 ASP H . 53305 1 539 . 1 . 1 97 97 ASP HA H 1 4.78557 0.04 . 1 . . . . . 97 ASP HA . 53305 1 540 . 1 . 1 97 97 ASP HB2 H 1 2.40719 0.04 . 2 . . . . . 97 ASP HB2 . 53305 1 541 . 1 . 1 97 97 ASP HB3 H 1 3.00711 0.04 . 2 . . . . . 97 ASP HB3 . 53305 1 542 . 1 . 1 97 97 ASP C C 13 175.14939 0.4 . 1 . . . . . 97 ASP C . 53305 1 543 . 1 . 1 97 97 ASP CA C 13 52.2516 0.4 . 1 . . . . . 97 ASP CA . 53305 1 544 . 1 . 1 97 97 ASP CB C 13 39.39297 0.4 . 1 . . . . . 97 ASP CB . 53305 1 545 . 1 . 1 97 97 ASP CG C 13 180.1873 0.4 . 1 . . . . . 97 ASP CG . 53305 1 546 . 1 . 1 97 97 ASP N N 15 121.2813 0.2 . 1 . . . . . 97 ASP N . 53305 1 547 . 1 . 1 98 98 ARG H H 1 7.90532 0.04 . 1 . . . . . 98 ARG H . 53305 1 548 . 1 . 1 98 98 ARG C C 13 178.82755 0.4 . 1 . . . . . 98 ARG C . 53305 1 549 . 1 . 1 98 98 ARG CA C 13 59.86412 0.4 . 1 . . . . . 98 ARG CA . 53305 1 550 . 1 . 1 98 98 ARG CB C 13 30.89054 0.4 . 1 . . . . . 98 ARG CB . 53305 1 551 . 1 . 1 98 98 ARG N N 15 124.05723 0.2 . 1 . . . . . 98 ARG N . 53305 1 552 . 1 . 1 99 99 GLU H H 1 8.71186 0.04 . 1 . . . . . 99 GLU H . 53305 1 553 . 1 . 1 99 99 GLU C C 13 179.07718 0.4 . 1 . . . . . 99 GLU C . 53305 1 554 . 1 . 1 99 99 GLU CA C 13 59.78813 0.4 . 1 . . . . . 99 GLU CA . 53305 1 555 . 1 . 1 99 99 GLU CB C 13 29.21747 0.4 . 1 . . . . . 99 GLU CB . 53305 1 556 . 1 . 1 99 99 GLU N N 15 119.3552 0.2 . 1 . . . . . 99 GLU N . 53305 1 557 . 1 . 1 100 100 ARG H H 1 7.7078 0.04 . 1 . . . . . 100 ARG H . 53305 1 558 . 1 . 1 100 100 ARG C C 13 178.00074 0.4 . 1 . . . . . 100 ARG C . 53305 1 559 . 1 . 1 100 100 ARG CA C 13 58.05 0.4 . 1 . . . . . 100 ARG CA . 53305 1 560 . 1 . 1 100 100 ARG CB C 13 30.85398 0.4 . 1 . . . . . 100 ARG CB . 53305 1 561 . 1 . 1 100 100 ARG N N 15 120.43014 0.2 . 1 . . . . . 100 ARG N . 53305 1 562 . 1 . 1 101 101 PHE H H 1 8.44349 0.04 . 1 . . . . . 101 PHE H . 53305 1 563 . 1 . 1 101 101 PHE C C 13 176.2405 0.4 . 1 . . . . . 101 PHE C . 53305 1 564 . 1 . 1 101 101 PHE CA C 13 62.87513 0.4 . 1 . . . . . 101 PHE CA . 53305 1 565 . 1 . 1 101 101 PHE CB C 13 39.13397 0.4 . 1 . . . . . 101 PHE CB . 53305 1 566 . 1 . 1 101 101 PHE N N 15 118.29003 0.2 . 1 . . . . . 101 PHE N . 53305 1 567 . 1 . 1 102 102 GLY H H 1 8.26432 0.04 . 1 . . . . . 102 GLY H . 53305 1 568 . 1 . 1 102 102 GLY C C 13 176.14965 0.4 . 1 . . . . . 102 GLY C . 53305 1 569 . 1 . 1 102 102 GLY CA C 13 47.51869 0.4 . 1 . . . . . 102 GLY CA . 53305 1 570 . 1 . 1 102 102 GLY N N 15 103.19071 0.2 . 1 . . . . . 102 GLY N . 53305 1 571 . 1 . 1 103 103 GLU H H 1 7.68838 0.04 . 1 . . . . . 103 GLU H . 53305 1 572 . 1 . 1 103 103 GLU C C 13 179.4407 0.4 . 1 . . . . . 103 GLU C . 53305 1 573 . 1 . 1 103 103 GLU CA C 13 59.10864 0.4 . 1 . . . . . 103 GLU CA . 53305 1 574 . 1 . 1 103 103 GLU CB C 13 29.77846 0.4 . 1 . . . . . 103 GLU CB . 53305 1 575 . 1 . 1 103 103 GLU N N 15 121.29887 0.2 . 1 . . . . . 103 GLU N . 53305 1 576 . 1 . 1 104 104 LEU H H 1 8.12786 0.04 . 1 . . . . . 104 LEU H . 53305 1 577 . 1 . 1 104 104 LEU C C 13 178.32147 0.4 . 1 . . . . . 104 LEU C . 53305 1 578 . 1 . 1 104 104 LEU CA C 13 57.94348 0.4 . 1 . . . . . 104 LEU CA . 53305 1 579 . 1 . 1 104 104 LEU CB C 13 42.37259 0.4 . 1 . . . . . 104 LEU CB . 53305 1 580 . 1 . 1 104 104 LEU N N 15 120.21198 0.2 . 1 . . . . . 104 LEU N . 53305 1 581 . 1 . 1 105 105 LEU H H 1 8.06271 0.04 . 1 . . . . . 105 LEU H . 53305 1 582 . 1 . 1 105 105 LEU C C 13 178.12956 0.4 . 1 . . . . . 105 LEU C . 53305 1 583 . 1 . 1 105 105 LEU CA C 13 58.19285 0.4 . 1 . . . . . 105 LEU CA . 53305 1 584 . 1 . 1 105 105 LEU CB C 13 41.44725 0.4 . 1 . . . . . 105 LEU CB . 53305 1 585 . 1 . 1 105 105 LEU N N 15 118.56753 0.2 . 1 . . . . . 105 LEU N . 53305 1 586 . 1 . 1 106 106 GLU H H 1 7.26905 0.04 . 1 . . . . . 106 GLU H . 53305 1 587 . 1 . 1 106 106 GLU C C 13 179.11495 0.4 . 1 . . . . . 106 GLU C . 53305 1 588 . 1 . 1 106 106 GLU CA C 13 59.54864 0.4 . 1 . . . . . 106 GLU CA . 53305 1 589 . 1 . 1 106 106 GLU CB C 13 29.22225 0.4 . 1 . . . . . 106 GLU CB . 53305 1 590 . 1 . 1 106 106 GLU N N 15 115.47463 0.2 . 1 . . . . . 106 GLU N . 53305 1 591 . 1 . 1 107 107 LYS H H 1 7.62823 0.04 . 1 . . . . . 107 LYS H . 53305 1 592 . 1 . 1 107 107 LYS C C 13 179.06546 0.4 . 1 . . . . . 107 LYS C . 53305 1 593 . 1 . 1 107 107 LYS CA C 13 59.16688 0.4 . 1 . . . . . 107 LYS CA . 53305 1 594 . 1 . 1 107 107 LYS CB C 13 32.7391 0.4 . 1 . . . . . 107 LYS CB . 53305 1 595 . 1 . 1 107 107 LYS N N 15 119.53861 0.2 . 1 . . . . . 107 LYS N . 53305 1 596 . 1 . 1 108 108 ILE H H 1 8.66384 0.04 . 1 . . . . . 108 ILE H . 53305 1 597 . 1 . 1 108 108 ILE C C 13 177.15709 0.4 . 1 . . . . . 108 ILE C . 53305 1 598 . 1 . 1 108 108 ILE CA C 13 66.24823 0.4 . 1 . . . . . 108 ILE CA . 53305 1 599 . 1 . 1 108 108 ILE CB C 13 37.59281 0.4 . 1 . . . . . 108 ILE CB . 53305 1 600 . 1 . 1 108 108 ILE N N 15 122.32348 0.2 . 1 . . . . . 108 ILE N . 53305 1 601 . 1 . 1 109 109 ILE H H 1 7.68893 0.04 . 1 . . . . . 109 ILE H . 53305 1 602 . 1 . 1 109 109 ILE C C 13 177.65549 0.4 . 1 . . . . . 109 ILE C . 53305 1 603 . 1 . 1 109 109 ILE CA C 13 66.5172 0.4 . 1 . . . . . 109 ILE CA . 53305 1 604 . 1 . 1 109 109 ILE CB C 13 37.87935 0.4 . 1 . . . . . 109 ILE CB . 53305 1 605 . 1 . 1 109 109 ILE N N 15 119.12576 0.2 . 1 . . . . . 109 ILE N . 53305 1 606 . 1 . 1 110 110 GLU H H 1 7.69312 0.04 . 1 . . . . . 110 GLU H . 53305 1 607 . 1 . 1 110 110 GLU C C 13 180.01344 0.4 . 1 . . . . . 110 GLU C . 53305 1 608 . 1 . 1 110 110 GLU CA C 13 59.82008 0.4 . 1 . . . . . 110 GLU CA . 53305 1 609 . 1 . 1 110 110 GLU CB C 13 29.50585 0.4 . 1 . . . . . 110 GLU CB . 53305 1 610 . 1 . 1 110 110 GLU N N 15 118.26692 0.2 . 1 . . . . . 110 GLU N . 53305 1 611 . 1 . 1 111 111 GLU H H 1 8.35479 0.04 . 1 . . . . . 111 GLU H . 53305 1 612 . 1 . 1 111 111 GLU C C 13 179.69374 0.4 . 1 . . . . . 111 GLU C . 53305 1 613 . 1 . 1 111 111 GLU CA C 13 58.72189 0.4 . 1 . . . . . 111 GLU CA . 53305 1 614 . 1 . 1 111 111 GLU CB C 13 28.80889 0.4 . 1 . . . . . 111 GLU CB . 53305 1 615 . 1 . 1 111 111 GLU N N 15 120.6237 0.2 . 1 . . . . . 111 GLU N . 53305 1 616 . 1 . 1 112 112 GLY H H 1 9.36948 0.04 . 1 . . . . . 112 GLY H . 53305 1 617 . 1 . 1 112 112 GLY HA2 H 1 3.76443 0.04 . 2 . . . . . 112 GLY HA2 . 53305 1 618 . 1 . 1 112 112 GLY HA3 H 1 3.99586 0.04 . 2 . . . . . 112 GLY HA3 . 53305 1 619 . 1 . 1 112 112 GLY C C 13 176.60632 0.4 . 1 . . . . . 112 GLY C . 53305 1 620 . 1 . 1 112 112 GLY CA C 13 48.17414 0.4 . 1 . . . . . 112 GLY CA . 53305 1 621 . 1 . 1 112 112 GLY N N 15 109.35308 0.2 . 1 . . . . . 112 GLY N . 53305 1 622 . 1 . 1 113 113 LYS H H 1 8.8367 0.04 . 1 . . . . . 113 LYS H . 53305 1 623 . 1 . 1 113 113 LYS C C 13 179.44007 0.4 . 1 . . . . . 113 LYS C . 53305 1 624 . 1 . 1 113 113 LYS CA C 13 60.4635 0.4 . 1 . . . . . 113 LYS CA . 53305 1 625 . 1 . 1 113 113 LYS CB C 13 32.72166 0.4 . 1 . . . . . 113 LYS CB . 53305 1 626 . 1 . 1 113 113 LYS N N 15 121.93922 0.2 . 1 . . . . . 113 LYS N . 53305 1 627 . 1 . 1 114 114 ALA H H 1 7.4829 0.04 . 1 . . . . . 114 ALA H . 53305 1 628 . 1 . 1 114 114 ALA C C 13 178.76026 0.4 . 1 . . . . . 114 ALA C . 53305 1 629 . 1 . 1 114 114 ALA CA C 13 53.78844 0.4 . 1 . . . . . 114 ALA CA . 53305 1 630 . 1 . 1 114 114 ALA CB C 13 18.11814 0.4 . 1 . . . . . 114 ALA CB . 53305 1 631 . 1 . 1 114 114 ALA N N 15 119.59936 0.2 . 1 . . . . . 114 ALA N . 53305 1 632 . 1 . 1 115 115 LEU H H 1 7.66164 0.04 . 1 . . . . . 115 LEU H . 53305 1 633 . 1 . 1 115 115 LEU HA H 1 4.34078 0.04 . 1 . . . . . 115 LEU HA . 53305 1 634 . 1 . 1 115 115 LEU HB2 H 1 1.49777 0.04 . 2 . . . . . 115 LEU HB2 . 53305 1 635 . 1 . 1 115 115 LEU HB3 H 1 1.67068 0.04 . 2 . . . . . 115 LEU HB3 . 53305 1 636 . 1 . 1 115 115 LEU HG H 1 1.46585 0.04 . 1 . . . . . 115 LEU HG . 53305 1 637 . 1 . 1 115 115 LEU HD11 H 1 -0.01336 0.04 . 2 . . . . . 115 LEU HD1# . 53305 1 638 . 1 . 1 115 115 LEU HD12 H 1 -0.01336 0.04 . 2 . . . . . 115 LEU HD1# . 53305 1 639 . 1 . 1 115 115 LEU HD13 H 1 -0.01336 0.04 . 2 . . . . . 115 LEU HD1# . 53305 1 640 . 1 . 1 115 115 LEU HD21 H 1 0.4177 0.04 . 2 . . . . . 115 LEU HD2# . 53305 1 641 . 1 . 1 115 115 LEU HD22 H 1 0.4177 0.04 . 2 . . . . . 115 LEU HD2# . 53305 1 642 . 1 . 1 115 115 LEU HD23 H 1 0.4177 0.04 . 2 . . . . . 115 LEU HD2# . 53305 1 643 . 1 . 1 115 115 LEU C C 13 178.02032 0.4 . 1 . . . . . 115 LEU C . 53305 1 644 . 1 . 1 115 115 LEU CA C 13 55.9161 0.4 . 1 . . . . . 115 LEU CA . 53305 1 645 . 1 . 1 115 115 LEU CB C 13 42.57639 0.4 . 1 . . . . . 115 LEU CB . 53305 1 646 . 1 . 1 115 115 LEU CG C 13 26.20587 0.4 . 1 . . . . . 115 LEU CG . 53305 1 647 . 1 . 1 115 115 LEU CD1 C 13 23.9425 0.4 . 2 . . . . . 115 LEU CD1 . 53305 1 648 . 1 . 1 115 115 LEU CD2 C 13 23.85415 0.4 . 2 . . . . . 115 LEU CD2 . 53305 1 649 . 1 . 1 115 115 LEU N N 15 119.09016 0.2 . 1 . . . . . 115 LEU N . 53305 1 650 . 1 . 1 116 116 LEU H H 1 7.54037 0.04 . 1 . . . . . 116 LEU H . 53305 1 651 . 1 . 1 116 116 LEU HA H 1 4.77234 0.04 . 1 . . . . . 116 LEU HA . 53305 1 652 . 1 . 1 116 116 LEU HB2 H 1 1.98156 0.04 . 2 . . . . . 116 LEU HB2 . 53305 1 653 . 1 . 1 116 116 LEU HB3 H 1 2.02628 0.04 . 2 . . . . . 116 LEU HB3 . 53305 1 654 . 1 . 1 116 116 LEU HG H 1 2.0428 0.04 . 1 . . . . . 116 LEU HG . 53305 1 655 . 1 . 1 116 116 LEU HD11 H 1 0.97687 0.04 . 2 . . . . . 116 LEU HD1# . 53305 1 656 . 1 . 1 116 116 LEU HD12 H 1 0.97687 0.04 . 2 . . . . . 116 LEU HD1# . 53305 1 657 . 1 . 1 116 116 LEU HD13 H 1 0.97687 0.04 . 2 . . . . . 116 LEU HD1# . 53305 1 658 . 1 . 1 116 116 LEU HD21 H 1 1.05031 0.04 . 2 . . . . . 116 LEU HD2# . 53305 1 659 . 1 . 1 116 116 LEU HD22 H 1 1.05031 0.04 . 2 . . . . . 116 LEU HD2# . 53305 1 660 . 1 . 1 116 116 LEU HD23 H 1 1.05031 0.04 . 2 . . . . . 116 LEU HD2# . 53305 1 661 . 1 . 1 116 116 LEU C C 13 176.51409 0.4 . 1 . . . . . 116 LEU C . 53305 1 662 . 1 . 1 116 116 LEU CA C 13 59.8918 0.4 . 1 . . . . . 116 LEU CA . 53305 1 663 . 1 . 1 116 116 LEU CB C 13 39.63166 0.4 . 1 . . . . . 116 LEU CB . 53305 1 664 . 1 . 1 116 116 LEU CG C 13 26.76498 0.4 . 1 . . . . . 116 LEU CG . 53305 1 665 . 1 . 1 116 116 LEU CD1 C 13 24.15095 0.4 . 2 . . . . . 116 LEU CD1 . 53305 1 666 . 1 . 1 116 116 LEU CD2 C 13 24.73449 0.4 . 2 . . . . . 116 LEU CD2 . 53305 1 667 . 1 . 1 116 116 LEU N N 15 117.68638 0.2 . 1 . . . . . 116 LEU N . 53305 1 668 . 1 . 1 117 117 PRO C C 13 178.51783 0.4 . 1 . . . . . 117 PRO C . 53305 1 669 . 1 . 1 117 117 PRO CA C 13 65.75677 0.4 . 1 . . . . . 117 PRO CA . 53305 1 670 . 1 . 1 117 117 PRO CB C 13 31.28737 0.4 . 1 . . . . . 117 PRO CB . 53305 1 671 . 1 . 1 118 118 ASN H H 1 8.15645 0.04 . 1 . . . . . 118 ASN H . 53305 1 672 . 1 . 1 118 118 ASN C C 13 177.7554 0.4 . 1 . . . . . 118 ASN C . 53305 1 673 . 1 . 1 118 118 ASN CA C 13 56.66664 0.4 . 1 . . . . . 118 ASN CA . 53305 1 674 . 1 . 1 118 118 ASN CB C 13 38.90953 0.4 . 1 . . . . . 118 ASN CB . 53305 1 675 . 1 . 1 118 118 ASN N N 15 116.99616 0.2 . 1 . . . . . 118 ASN N . 53305 1 676 . 1 . 1 119 119 VAL H H 1 8.24661 0.04 . 1 . . . . . 119 VAL H . 53305 1 677 . 1 . 1 119 119 VAL C C 13 178.02968 0.4 . 1 . . . . . 119 VAL C . 53305 1 678 . 1 . 1 119 119 VAL CA C 13 67.97874 0.4 . 1 . . . . . 119 VAL CA . 53305 1 679 . 1 . 1 119 119 VAL CB C 13 31.8006 0.4 . 1 . . . . . 119 VAL CB . 53305 1 680 . 1 . 1 119 119 VAL N N 15 119.29649 0.2 . 1 . . . . . 119 VAL N . 53305 1 681 . 1 . 1 120 120 GLU H H 1 7.37804 0.04 . 1 . . . . . 120 GLU H . 53305 1 682 . 1 . 1 120 120 GLU C C 13 178.63048 0.4 . 1 . . . . . 120 GLU C . 53305 1 683 . 1 . 1 120 120 GLU CA C 13 58.9303 0.4 . 1 . . . . . 120 GLU CA . 53305 1 684 . 1 . 1 120 120 GLU CB C 13 29.3616 0.4 . 1 . . . . . 120 GLU CB . 53305 1 685 . 1 . 1 120 120 GLU N N 15 118.34768 0.2 . 1 . . . . . 120 GLU N . 53305 1 686 . 1 . 1 121 121 LYS H H 1 7.24437 0.04 . 1 . . . . . 121 LYS H . 53305 1 687 . 1 . 1 121 121 LYS C C 13 179.95718 0.4 . 1 . . . . . 121 LYS C . 53305 1 688 . 1 . 1 121 121 LYS CA C 13 59.39966 0.4 . 1 . . . . . 121 LYS CA . 53305 1 689 . 1 . 1 121 121 LYS CB C 13 32.03391 0.4 . 1 . . . . . 121 LYS CB . 53305 1 690 . 1 . 1 121 121 LYS N N 15 117.78328 0.2 . 1 . . . . . 121 LYS N . 53305 1 691 . 1 . 1 122 122 ILE H H 1 8.26171 0.04 . 1 . . . . . 122 ILE H . 53305 1 692 . 1 . 1 122 122 ILE C C 13 176.90722 0.4 . 1 . . . . . 122 ILE C . 53305 1 693 . 1 . 1 122 122 ILE CA C 13 66.36913 0.4 . 1 . . . . . 122 ILE CA . 53305 1 694 . 1 . 1 122 122 ILE CB C 13 37.76939 0.4 . 1 . . . . . 122 ILE CB . 53305 1 695 . 1 . 1 122 122 ILE N N 15 121.4252 0.2 . 1 . . . . . 122 ILE N . 53305 1 696 . 1 . 1 123 123 LYS H H 1 7.71604 0.04 . 1 . . . . . 123 LYS H . 53305 1 697 . 1 . 1 123 123 LYS C C 13 178.03657 0.4 . 1 . . . . . 123 LYS C . 53305 1 698 . 1 . 1 123 123 LYS CA C 13 59.644 0.4 . 1 . . . . . 123 LYS CA . 53305 1 699 . 1 . 1 123 123 LYS CB C 13 32.89838 0.4 . 1 . . . . . 123 LYS CB . 53305 1 700 . 1 . 1 123 123 LYS N N 15 118.58479 0.2 . 1 . . . . . 123 LYS N . 53305 1 701 . 1 . 1 124 124 GLU H H 1 6.97007 0.04 . 1 . . . . . 124 GLU H . 53305 1 702 . 1 . 1 124 124 GLU C C 13 176.43912 0.4 . 1 . . . . . 124 GLU C . 53305 1 703 . 1 . 1 124 124 GLU CA C 13 57.18661 0.4 . 1 . . . . . 124 GLU CA . 53305 1 704 . 1 . 1 124 124 GLU CB C 13 29.8422 0.4 . 1 . . . . . 124 GLU CB . 53305 1 705 . 1 . 1 124 124 GLU N N 15 113.05057 0.2 . 1 . . . . . 124 GLU N . 53305 1 706 . 1 . 1 125 125 ALA H H 1 7.59407 0.04 . 1 . . . . . 125 ALA H . 53305 1 707 . 1 . 1 125 125 ALA C C 13 177.22105 0.4 . 1 . . . . . 125 ALA C . 53305 1 708 . 1 . 1 125 125 ALA CA C 13 52.32519 0.4 . 1 . . . . . 125 ALA CA . 53305 1 709 . 1 . 1 125 125 ALA CB C 13 20.33811 0.4 . 1 . . . . . 125 ALA CB . 53305 1 710 . 1 . 1 125 125 ALA N N 15 120.90904 0.2 . 1 . . . . . 125 ALA N . 53305 1 711 . 1 . 1 126 126 ILE H H 1 6.90092 0.04 . 1 . . . . . 126 ILE H . 53305 1 712 . 1 . 1 126 126 ILE C C 13 179.95245 0.4 . 1 . . . . . 126 ILE C . 53305 1 713 . 1 . 1 126 126 ILE CA C 13 64.04842 0.4 . 1 . . . . . 126 ILE CA . 53305 1 714 . 1 . 1 126 126 ILE CB C 13 38.96837 0.4 . 1 . . . . . 126 ILE CB . 53305 1 715 . 1 . 1 126 126 ILE N N 15 120.02683 0.2 . 1 . . . . . 126 ILE N . 53305 1 stop_ save_