data_51647 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51647 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments of ubiquitin with a modified N-terminal twin-strep tag. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-03 _Entry.Accession_date 2022-10-03 _Entry.Last_release_date 2022-10-03 _Entry.Original_release_date 2022-10-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Spencer Nelson . . . 0000-0003-4819-4441 51647 2 Lalit Deshmukh . L. . 0000-0001-6126-1560 51647 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51647 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 180 51647 '15N chemical shifts' 91 51647 '1H chemical shifts' 91 51647 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 . . 2023-05-25 2022-10-03 update BMRB 'update entry citation' 51647 1 . . 2023-03-23 2022-10-03 original author 'original release' 51647 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51647 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37010382 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Avidity-Based Method for the Efficient Generation of Monoubiquitinated Recombinant Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 145 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-5126 _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 7748 _Citation.Page_last 7752 _Citation.Year 2023 _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 Spencer Nelson . L. . . 51647 1 2 Yunan Li . . . . 51647 1 3 Yue Chen . . . . 51647 1 4 Lalit Deshmukh . . . . 51647 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Posttranslational modifications, phase separation, amyloids, a-synuclein, ALIX, protein aggregation.' 51647 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51647 _Assembly.ID 1 _Assembly.Name 'Ubiquitin with modified N-terminal twin-strep tag' _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 'Ubiquitin with modified N-terminal twin-strep tag' 1 $entity_1 . . yes native no no . . . 51647 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1UBQ . . X-ray 1.80 . . 51647 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51647 _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 ; GSWSHPQFERGGGSGGGSGG SSAWSHPQFERGSENLYFQG SGSMQIFVKTLTGKTITLEV EPSDTIENVKAKIQDKEGIP PDQQRLIFAGKQLEDGRTLS DYNIQKESTLHLVLRLRGG ; _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 119 _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 . GLY . 51647 1 2 . SER . 51647 1 3 . TRP . 51647 1 4 . SER . 51647 1 5 . HIS . 51647 1 6 . PRO . 51647 1 7 . GLN . 51647 1 8 . PHE . 51647 1 9 . GLU . 51647 1 10 . ARG . 51647 1 11 . GLY . 51647 1 12 . GLY . 51647 1 13 . GLY . 51647 1 14 . SER . 51647 1 15 . GLY . 51647 1 16 . GLY . 51647 1 17 . GLY . 51647 1 18 . SER . 51647 1 19 . GLY . 51647 1 20 . GLY . 51647 1 21 . SER . 51647 1 22 . SER . 51647 1 23 . ALA . 51647 1 24 . TRP . 51647 1 25 . SER . 51647 1 26 . HIS . 51647 1 27 . PRO . 51647 1 28 . GLN . 51647 1 29 . PHE . 51647 1 30 . GLU . 51647 1 31 . ARG . 51647 1 32 . GLY . 51647 1 33 . SER . 51647 1 34 . GLU . 51647 1 35 . ASN . 51647 1 36 . LEU . 51647 1 37 . TYR . 51647 1 38 . PHE . 51647 1 39 . GLN . 51647 1 40 . GLY . 51647 1 41 . SER . 51647 1 42 . GLY . 51647 1 43 . SER . 51647 1 44 . MET . 51647 1 45 . GLN . 51647 1 46 . ILE . 51647 1 47 . PHE . 51647 1 48 . VAL . 51647 1 49 . LYS . 51647 1 50 . THR . 51647 1 51 . LEU . 51647 1 52 . THR . 51647 1 53 . GLY . 51647 1 54 . LYS . 51647 1 55 . THR . 51647 1 56 . ILE . 51647 1 57 . THR . 51647 1 58 . LEU . 51647 1 59 . GLU . 51647 1 60 . VAL . 51647 1 61 . GLU . 51647 1 62 . PRO . 51647 1 63 . SER . 51647 1 64 . ASP . 51647 1 65 . THR . 51647 1 66 . ILE . 51647 1 67 . GLU . 51647 1 68 . ASN . 51647 1 69 . VAL . 51647 1 70 . LYS . 51647 1 71 . ALA . 51647 1 72 . LYS . 51647 1 73 . ILE . 51647 1 74 . GLN . 51647 1 75 . ASP . 51647 1 76 . LYS . 51647 1 77 . GLU . 51647 1 78 . GLY . 51647 1 79 . ILE . 51647 1 80 . PRO . 51647 1 81 . PRO . 51647 1 82 . ASP . 51647 1 83 . GLN . 51647 1 84 . GLN . 51647 1 85 . ARG . 51647 1 86 . LEU . 51647 1 87 . ILE . 51647 1 88 . PHE . 51647 1 89 . ALA . 51647 1 90 . GLY . 51647 1 91 . LYS . 51647 1 92 . GLN . 51647 1 93 . LEU . 51647 1 94 . GLU . 51647 1 95 . ASP . 51647 1 96 . GLY . 51647 1 97 . ARG . 51647 1 98 . THR . 51647 1 99 . LEU . 51647 1 100 . SER . 51647 1 101 . ASP . 51647 1 102 . TYR . 51647 1 103 . ASN . 51647 1 104 . ILE . 51647 1 105 . GLN . 51647 1 106 . LYS . 51647 1 107 . GLU . 51647 1 108 . SER . 51647 1 109 . THR . 51647 1 110 . LEU . 51647 1 111 . HIS . 51647 1 112 . LEU . 51647 1 113 . VAL . 51647 1 114 . LEU . 51647 1 115 . ARG . 51647 1 116 . LEU . 51647 1 117 . ARG . 51647 1 118 . GLY . 51647 1 119 . GLY . 51647 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 . GLY 1 1 51647 1 . SER 2 2 51647 1 . TRP 3 3 51647 1 . SER 4 4 51647 1 . HIS 5 5 51647 1 . PRO 6 6 51647 1 . GLN 7 7 51647 1 . PHE 8 8 51647 1 . GLU 9 9 51647 1 . ARG 10 10 51647 1 . GLY 11 11 51647 1 . GLY 12 12 51647 1 . GLY 13 13 51647 1 . SER 14 14 51647 1 . GLY 15 15 51647 1 . GLY 16 16 51647 1 . GLY 17 17 51647 1 . SER 18 18 51647 1 . GLY 19 19 51647 1 . GLY 20 20 51647 1 . SER 21 21 51647 1 . SER 22 22 51647 1 . ALA 23 23 51647 1 . TRP 24 24 51647 1 . SER 25 25 51647 1 . HIS 26 26 51647 1 . PRO 27 27 51647 1 . GLN 28 28 51647 1 . PHE 29 29 51647 1 . GLU 30 30 51647 1 . ARG 31 31 51647 1 . GLY 32 32 51647 1 . SER 33 33 51647 1 . GLU 34 34 51647 1 . ASN 35 35 51647 1 . LEU 36 36 51647 1 . TYR 37 37 51647 1 . PHE 38 38 51647 1 . GLN 39 39 51647 1 . GLY 40 40 51647 1 . SER 41 41 51647 1 . GLY 42 42 51647 1 . SER 43 43 51647 1 . MET 44 44 51647 1 . GLN 45 45 51647 1 . ILE 46 46 51647 1 . PHE 47 47 51647 1 . VAL 48 48 51647 1 . LYS 49 49 51647 1 . THR 50 50 51647 1 . LEU 51 51 51647 1 . THR 52 52 51647 1 . GLY 53 53 51647 1 . LYS 54 54 51647 1 . THR 55 55 51647 1 . ILE 56 56 51647 1 . THR 57 57 51647 1 . LEU 58 58 51647 1 . GLU 59 59 51647 1 . VAL 60 60 51647 1 . GLU 61 61 51647 1 . PRO 62 62 51647 1 . SER 63 63 51647 1 . ASP 64 64 51647 1 . THR 65 65 51647 1 . ILE 66 66 51647 1 . GLU 67 67 51647 1 . ASN 68 68 51647 1 . VAL 69 69 51647 1 . LYS 70 70 51647 1 . ALA 71 71 51647 1 . LYS 72 72 51647 1 . ILE 73 73 51647 1 . GLN 74 74 51647 1 . ASP 75 75 51647 1 . LYS 76 76 51647 1 . GLU 77 77 51647 1 . GLY 78 78 51647 1 . ILE 79 79 51647 1 . PRO 80 80 51647 1 . PRO 81 81 51647 1 . ASP 82 82 51647 1 . GLN 83 83 51647 1 . GLN 84 84 51647 1 . ARG 85 85 51647 1 . LEU 86 86 51647 1 . ILE 87 87 51647 1 . PHE 88 88 51647 1 . ALA 89 89 51647 1 . GLY 90 90 51647 1 . LYS 91 91 51647 1 . GLN 92 92 51647 1 . LEU 93 93 51647 1 . GLU 94 94 51647 1 . ASP 95 95 51647 1 . GLY 96 96 51647 1 . ARG 97 97 51647 1 . THR 98 98 51647 1 . LEU 99 99 51647 1 . SER 100 100 51647 1 . ASP 101 101 51647 1 . TYR 102 102 51647 1 . ASN 103 103 51647 1 . ILE 104 104 51647 1 . GLN 105 105 51647 1 . LYS 106 106 51647 1 . GLU 107 107 51647 1 . SER 108 108 51647 1 . THR 109 109 51647 1 . LEU 110 110 51647 1 . HIS 111 111 51647 1 . LEU 112 112 51647 1 . VAL 113 113 51647 1 . LEU 114 114 51647 1 . ARG 115 115 51647 1 . LEU 116 116 51647 1 . ARG 117 117 51647 1 . GLY 118 118 51647 1 . GLY 119 119 51647 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 51647 _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 . . . . . . . . . . . . . 51647 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 51647 _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 . . . 51647 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51647 _Sample.ID 1 _Sample.Name Sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Ubiquitin with modified N-terminal twin-strep tag' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51647 1 2 D2O 'natural abundance' . . . . . . 7 . . % . . . . 51647 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51647 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51647 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 51647 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Conditions 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' 0 . M 51647 1 pH 6.5 . pH 51647 1 pressure 1 . atm 51647 1 temperature 300 . K 51647 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51647 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51647 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51647 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51647 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 51647 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51647 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Bruker800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51647 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51647 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51647 1 3 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51647 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 51647 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Reference 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 water protons . . . . ppm 4.7 internal indirect . . . . . . 51647 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51647 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 51647 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 51647 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CS List 1' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51647 1 2 '3D HNCACB' . . . 51647 1 3 '2D 1H-15N TROSY' . . . 51647 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 . . 51647 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 22 22 SER CA C 13 58.476 0.000 . 1 . . . . . 22 SER CA . 51647 1 2 . 1 . 1 22 22 SER CB C 13 63.660 0.000 . 1 . . . . . 22 SER CB . 51647 1 3 . 1 . 1 23 23 ALA H H 1 8.013 0.000 . 1 . . . . . 23 ALA H . 51647 1 4 . 1 . 1 23 23 ALA CA C 13 52.897 0.000 . 1 . . . . . 23 ALA CA . 51647 1 5 . 1 . 1 23 23 ALA CB C 13 18.639 0.000 . 1 . . . . . 23 ALA CB . 51647 1 6 . 1 . 1 23 23 ALA N N 15 126.042 0.000 . 1 . . . . . 23 ALA N . 51647 1 7 . 1 . 1 24 24 TRP H H 1 7.698 0.000 . 1 . . . . . 24 TRP H . 51647 1 8 . 1 . 1 24 24 TRP CA C 13 57.032 0.000 . 1 . . . . . 24 TRP CA . 51647 1 9 . 1 . 1 24 24 TRP CB C 13 29.337 0.000 . 1 . . . . . 24 TRP CB . 51647 1 10 . 1 . 1 24 24 TRP N N 15 119.657 0.000 . 1 . . . . . 24 TRP N . 51647 1 11 . 1 . 1 25 25 SER H H 1 7.690 0.000 . 1 . . . . . 25 SER H . 51647 1 12 . 1 . 1 25 25 SER CA C 13 58.082 0.000 . 1 . . . . . 25 SER CA . 51647 1 13 . 1 . 1 25 25 SER CB C 13 63.857 0.000 . 1 . . . . . 25 SER CB . 51647 1 14 . 1 . 1 25 25 SER N N 15 117.634 0.000 . 1 . . . . . 25 SER N . 51647 1 15 . 1 . 1 26 26 HIS H H 1 7.906 0.000 . 1 . . . . . 26 HIS H . 51647 1 16 . 1 . 1 26 26 HIS CA C 13 54.013 0.000 . 1 . . . . . 26 HIS CA . 51647 1 17 . 1 . 1 26 26 HIS CB C 13 29.402 0.000 . 1 . . . . . 26 HIS CB . 51647 1 18 . 1 . 1 26 26 HIS N N 15 122.068 0.000 . 1 . . . . . 26 HIS N . 51647 1 19 . 1 . 1 27 27 PRO CA C 13 63.463 0.000 . 1 . . . . . 27 PRO CA . 51647 1 20 . 1 . 1 27 27 PRO CB C 13 31.896 0.000 . 1 . . . . . 27 PRO CB . 51647 1 21 . 1 . 1 28 28 GLN H H 1 8.465 0.000 . 1 . . . . . 28 GLN H . 51647 1 22 . 1 . 1 28 28 GLN CA C 13 56.047 0.000 . 1 . . . . . 28 GLN CA . 51647 1 23 . 1 . 1 28 28 GLN CB C 13 29.074 0.000 . 1 . . . . . 28 GLN CB . 51647 1 24 . 1 . 1 28 28 GLN N N 15 121.224 0.000 . 1 . . . . . 28 GLN N . 51647 1 25 . 1 . 1 29 29 PHE H H 1 7.948 0.000 . 1 . . . . . 29 PHE H . 51647 1 26 . 1 . 1 29 29 PHE CA C 13 57.426 0.000 . 1 . . . . . 29 PHE CA . 51647 1 27 . 1 . 1 29 29 PHE CB C 13 39.443 0.000 . 1 . . . . . 29 PHE CB . 51647 1 28 . 1 . 1 29 29 PHE N N 15 120.996 0.000 . 1 . . . . . 29 PHE N . 51647 1 29 . 1 . 1 30 30 GLU H H 1 8.135 0.000 . 1 . . . . . 30 GLU H . 51647 1 30 . 1 . 1 30 30 GLU CA C 13 56.441 0.000 . 1 . . . . . 30 GLU CA . 51647 1 31 . 1 . 1 30 30 GLU CB C 13 30.190 0.000 . 1 . . . . . 30 GLU CB . 51647 1 32 . 1 . 1 30 30 GLU N N 15 123.126 0.000 . 1 . . . . . 30 GLU N . 51647 1 33 . 1 . 1 31 31 ARG H H 1 8.206 0.000 . 1 . . . . . 31 ARG H . 51647 1 34 . 1 . 1 31 31 ARG CA C 13 56.310 0.000 . 1 . . . . . 31 ARG CA . 51647 1 35 . 1 . 1 31 31 ARG CB C 13 30.255 0.000 . 1 . . . . . 31 ARG CB . 51647 1 36 . 1 . 1 31 31 ARG N N 15 122.924 0.000 . 1 . . . . . 31 ARG N . 51647 1 37 . 1 . 1 32 32 GLY H H 1 8.283 0.000 . 1 . . . . . 32 GLY H . 51647 1 38 . 1 . 1 32 32 GLY CA C 13 45.219 0.000 . 1 . . . . . 32 GLY CA . 51647 1 39 . 1 . 1 32 32 GLY N N 15 110.767 0.000 . 1 . . . . . 32 GLY N . 51647 1 40 . 1 . 1 33 33 SER H H 1 8.056 0.000 . 1 . . . . . 33 SER H . 51647 1 41 . 1 . 1 33 33 SER CA C 13 58.607 0.000 . 1 . . . . . 33 SER CA . 51647 1 42 . 1 . 1 33 33 SER CB C 13 63.857 0.000 . 1 . . . . . 33 SER CB . 51647 1 43 . 1 . 1 33 33 SER N N 15 116.356 0.000 . 1 . . . . . 33 SER N . 51647 1 44 . 1 . 1 34 34 GLU H H 1 8.489 0.000 . 1 . . . . . 34 GLU H . 51647 1 45 . 1 . 1 34 34 GLU CA C 13 57.229 0.000 . 1 . . . . . 34 GLU CA . 51647 1 46 . 1 . 1 34 34 GLU CB C 13 29.534 0.000 . 1 . . . . . 34 GLU CB . 51647 1 47 . 1 . 1 34 34 GLU N N 15 123.085 0.000 . 1 . . . . . 34 GLU N . 51647 1 48 . 1 . 1 35 35 ASN H H 1 8.152 0.000 . 1 . . . . . 35 ASN H . 51647 1 49 . 1 . 1 35 35 ASN CA C 13 53.357 0.000 . 1 . . . . . 35 ASN CA . 51647 1 50 . 1 . 1 35 35 ASN CB C 13 38.525 0.000 . 1 . . . . . 35 ASN CB . 51647 1 51 . 1 . 1 35 35 ASN N N 15 119.438 0.000 . 1 . . . . . 35 ASN N . 51647 1 52 . 1 . 1 36 36 LEU H H 1 7.841 0.000 . 1 . . . . . 36 LEU H . 51647 1 53 . 1 . 1 36 36 LEU CA C 13 55.391 0.000 . 1 . . . . . 36 LEU CA . 51647 1 54 . 1 . 1 36 36 LEU CB C 13 42.134 0.000 . 1 . . . . . 36 LEU CB . 51647 1 55 . 1 . 1 36 36 LEU N N 15 122.729 0.000 . 1 . . . . . 36 LEU N . 51647 1 56 . 1 . 1 37 37 TYR H H 1 7.819 0.000 . 1 . . . . . 37 TYR H . 51647 1 57 . 1 . 1 37 37 TYR CA C 13 57.688 0.000 . 1 . . . . . 37 TYR CA . 51647 1 58 . 1 . 1 37 37 TYR CB C 13 38.459 0.000 . 1 . . . . . 37 TYR CB . 51647 1 59 . 1 . 1 37 37 TYR N N 15 120.445 0.000 . 1 . . . . . 37 TYR N . 51647 1 60 . 1 . 1 38 38 PHE H H 1 7.811 0.000 . 1 . . . . . 38 PHE H . 51647 1 61 . 1 . 1 38 38 PHE CA C 13 57.622 0.000 . 1 . . . . . 38 PHE CA . 51647 1 62 . 1 . 1 38 38 PHE CB C 13 39.443 0.000 . 1 . . . . . 38 PHE CB . 51647 1 63 . 1 . 1 38 38 PHE N N 15 122.428 0.000 . 1 . . . . . 38 PHE N . 51647 1 64 . 1 . 1 39 39 GLN H H 1 8.163 0.000 . 1 . . . . . 39 GLN H . 51647 1 65 . 1 . 1 39 39 GLN CA C 13 56.441 0.000 . 1 . . . . . 39 GLN CA . 51647 1 66 . 1 . 1 39 39 GLN CB C 13 30.190 0.000 . 1 . . . . . 39 GLN CB . 51647 1 67 . 1 . 1 39 39 GLN N N 15 123.222 0.000 . 1 . . . . . 39 GLN N . 51647 1 68 . 1 . 1 40 40 GLY H H 1 8.383 0.000 . 1 . . . . . 40 GLY H . 51647 1 69 . 1 . 1 40 40 GLY CA C 13 45.087 0.000 . 1 . . . . . 40 GLY CA . 51647 1 70 . 1 . 1 40 40 GLY N N 15 111.378 0.000 . 1 . . . . . 40 GLY N . 51647 1 71 . 1 . 1 41 41 SER H H 1 8.096 0.000 . 1 . . . . . 41 SER H . 51647 1 72 . 1 . 1 41 41 SER CA C 13 58.476 0.000 . 1 . . . . . 41 SER CA . 51647 1 73 . 1 . 1 41 41 SER CB C 13 64.120 0.000 . 1 . . . . . 41 SER CB . 51647 1 74 . 1 . 1 41 41 SER N N 15 116.269 0.000 . 1 . . . . . 41 SER N . 51647 1 75 . 1 . 1 42 42 GLY H H 1 8.367 0.000 . 1 . . . . . 42 GLY H . 51647 1 76 . 1 . 1 42 42 GLY CA C 13 45.022 0.000 . 1 . . . . . 42 GLY CA . 51647 1 77 . 1 . 1 42 42 GLY N N 15 111.907 0.000 . 1 . . . . . 42 GLY N . 51647 1 78 . 1 . 1 43 43 SER H H 1 7.823 0.000 . 1 . . . . . 43 SER H . 51647 1 79 . 1 . 1 43 43 SER CA C 13 58.869 0.000 . 1 . . . . . 43 SER CA . 51647 1 80 . 1 . 1 43 43 SER CB C 13 64.120 0.000 . 1 . . . . . 43 SER CB . 51647 1 81 . 1 . 1 43 43 SER N N 15 116.074 0.000 . 1 . . . . . 43 SER N . 51647 1 82 . 1 . 1 44 44 MET H H 1 8.994 0.000 . 1 . . . . . 44 MET H . 51647 1 83 . 1 . 1 44 44 MET CA C 13 54.407 0.000 . 1 . . . . . 44 MET CA . 51647 1 84 . 1 . 1 44 44 MET CB C 13 35.178 0.000 . 1 . . . . . 44 MET CB . 51647 1 85 . 1 . 1 44 44 MET N N 15 121.427 0.000 . 1 . . . . . 44 MET N . 51647 1 86 . 1 . 1 45 45 GLN H H 1 8.174 0.000 . 1 . . . . . 45 GLN H . 51647 1 87 . 1 . 1 45 45 GLN CA C 13 54.341 0.000 . 1 . . . . . 45 GLN CA . 51647 1 88 . 1 . 1 45 45 GLN CB C 13 30.452 0.000 . 1 . . . . . 45 GLN CB . 51647 1 89 . 1 . 1 45 45 GLN N N 15 121.278 0.000 . 1 . . . . . 45 GLN N . 51647 1 90 . 1 . 1 46 46 ILE H H 1 8.141 0.000 . 1 . . . . . 46 ILE H . 51647 1 91 . 1 . 1 46 46 ILE CA C 13 59.394 0.000 . 1 . . . . . 46 ILE CA . 51647 1 92 . 1 . 1 46 46 ILE CB C 13 41.806 0.000 . 1 . . . . . 46 ILE CB . 51647 1 93 . 1 . 1 46 46 ILE N N 15 115.102 0.000 . 1 . . . . . 46 ILE N . 51647 1 94 . 1 . 1 47 47 PHE H H 1 8.428 0.000 . 1 . . . . . 47 PHE H . 51647 1 95 . 1 . 1 47 47 PHE CA C 13 55.063 0.000 . 1 . . . . . 47 PHE CA . 51647 1 96 . 1 . 1 47 47 PHE CB C 13 40.953 0.000 . 1 . . . . . 47 PHE CB . 51647 1 97 . 1 . 1 47 47 PHE N N 15 119.375 0.000 . 1 . . . . . 47 PHE N . 51647 1 98 . 1 . 1 48 48 VAL H H 1 9.130 0.000 . 1 . . . . . 48 VAL H . 51647 1 99 . 1 . 1 48 48 VAL CA C 13 60.379 0.000 . 1 . . . . . 48 VAL CA . 51647 1 100 . 1 . 1 48 48 VAL CB C 13 33.996 0.000 . 1 . . . . . 48 VAL CB . 51647 1 101 . 1 . 1 48 48 VAL N N 15 122.099 0.000 . 1 . . . . . 48 VAL N . 51647 1 102 . 1 . 1 49 49 LYS H H 1 8.781 0.000 . 1 . . . . . 49 LYS H . 51647 1 103 . 1 . 1 49 49 LYS CA C 13 54.669 0.000 . 1 . . . . . 49 LYS CA . 51647 1 104 . 1 . 1 49 49 LYS CB C 13 34.062 0.000 . 1 . . . . . 49 LYS CB . 51647 1 105 . 1 . 1 49 49 LYS N N 15 128.744 0.000 . 1 . . . . . 49 LYS N . 51647 1 106 . 1 . 1 50 50 THR H H 1 8.566 0.000 . 1 . . . . . 50 THR H . 51647 1 107 . 1 . 1 50 50 THR CA C 13 60.510 0.000 . 1 . . . . . 50 THR CA . 51647 1 108 . 1 . 1 50 50 THR CB C 13 70.551 0.000 . 1 . . . . . 50 THR CB . 51647 1 109 . 1 . 1 50 50 THR N N 15 116.237 0.000 . 1 . . . . . 50 THR N . 51647 1 110 . 1 . 1 51 51 LEU H H 1 8.982 0.000 . 1 . . . . . 51 LEU H . 51647 1 111 . 1 . 1 51 51 LEU CA C 13 57.491 0.000 . 1 . . . . . 51 LEU CA . 51647 1 112 . 1 . 1 51 51 LEU CB C 13 41.806 0.000 . 1 . . . . . 51 LEU CB . 51647 1 113 . 1 . 1 51 51 LEU N N 15 122.103 0.000 . 1 . . . . . 51 LEU N . 51647 1 114 . 1 . 1 52 52 THR H H 1 7.460 0.000 . 1 . . . . . 52 THR H . 51647 1 115 . 1 . 1 52 52 THR CA C 13 61.429 0.000 . 1 . . . . . 52 THR CA . 51647 1 116 . 1 . 1 52 52 THR CB C 13 69.042 0.000 . 1 . . . . . 52 THR CB . 51647 1 117 . 1 . 1 52 52 THR N N 15 106.660 0.000 . 1 . . . . . 52 THR N . 51647 1 118 . 1 . 1 53 53 GLY H H 1 7.651 0.000 . 1 . . . . . 53 GLY H . 51647 1 119 . 1 . 1 53 53 GLY CA C 13 45.219 0.000 . 1 . . . . . 53 GLY CA . 51647 1 120 . 1 . 1 53 53 GLY N N 15 110.023 0.000 . 1 . . . . . 53 GLY N . 51647 1 121 . 1 . 1 54 54 LYS H H 1 7.092 0.000 . 1 . . . . . 54 LYS H . 51647 1 122 . 1 . 1 54 54 LYS CA C 13 56.244 0.000 . 1 . . . . . 54 LYS CA . 51647 1 123 . 1 . 1 54 54 LYS CB C 13 33.209 0.000 . 1 . . . . . 54 LYS CB . 51647 1 124 . 1 . 1 54 54 LYS N N 15 122.756 0.000 . 1 . . . . . 54 LYS N . 51647 1 125 . 1 . 1 55 55 THR H H 1 8.479 0.000 . 1 . . . . . 55 THR H . 51647 1 126 . 1 . 1 55 55 THR CA C 13 62.413 0.000 . 1 . . . . . 55 THR CA . 51647 1 127 . 1 . 1 55 55 THR CB C 13 69.764 0.000 . 1 . . . . . 55 THR CB . 51647 1 128 . 1 . 1 55 55 THR N N 15 121.487 0.000 . 1 . . . . . 55 THR N . 51647 1 129 . 1 . 1 56 56 ILE H H 1 9.382 0.000 . 1 . . . . . 56 ILE H . 51647 1 130 . 1 . 1 56 56 ILE CA C 13 60.051 0.000 . 1 . . . . . 56 ILE CA . 51647 1 131 . 1 . 1 56 56 ILE CB C 13 40.559 0.000 . 1 . . . . . 56 ILE CB . 51647 1 132 . 1 . 1 56 56 ILE N N 15 128.666 0.000 . 1 . . . . . 56 ILE N . 51647 1 133 . 1 . 1 57 57 THR H H 1 8.599 0.000 . 1 . . . . . 57 THR H . 51647 1 134 . 1 . 1 57 57 THR CA C 13 62.216 0.000 . 1 . . . . . 57 THR CA . 51647 1 135 . 1 . 1 57 57 THR CB C 13 69.567 0.000 . 1 . . . . . 57 THR CB . 51647 1 136 . 1 . 1 57 57 THR N N 15 122.808 0.000 . 1 . . . . . 57 THR N . 51647 1 137 . 1 . 1 58 58 LEU H H 1 8.635 0.000 . 1 . . . . . 58 LEU H . 51647 1 138 . 1 . 1 58 58 LEU CA C 13 52.700 0.000 . 1 . . . . . 58 LEU CA . 51647 1 139 . 1 . 1 58 58 LEU CB C 13 46.466 0.000 . 1 . . . . . 58 LEU CB . 51647 1 140 . 1 . 1 58 58 LEU N N 15 126.159 0.000 . 1 . . . . . 58 LEU N . 51647 1 141 . 1 . 1 59 59 GLU H H 1 7.965 0.000 . 1 . . . . . 59 GLU H . 51647 1 142 . 1 . 1 59 59 GLU CA C 13 55.588 0.000 . 1 . . . . . 59 GLU CA . 51647 1 143 . 1 . 1 59 59 GLU CB C 13 29.796 0.000 . 1 . . . . . 59 GLU CB . 51647 1 144 . 1 . 1 59 59 GLU N N 15 122.652 0.000 . 1 . . . . . 59 GLU N . 51647 1 145 . 1 . 1 60 60 VAL H H 1 8.696 0.000 . 1 . . . . . 60 VAL H . 51647 1 146 . 1 . 1 60 60 VAL CA C 13 58.673 0.000 . 1 . . . . . 60 VAL CA . 51647 1 147 . 1 . 1 60 60 VAL CB C 13 36.228 0.000 . 1 . . . . . 60 VAL CB . 51647 1 148 . 1 . 1 60 60 VAL N N 15 117.472 0.000 . 1 . . . . . 60 VAL N . 51647 1 149 . 1 . 1 61 61 GLU H H 1 8.368 0.000 . 1 . . . . . 61 GLU H . 51647 1 150 . 1 . 1 61 61 GLU CA C 13 53.160 0.000 . 1 . . . . . 61 GLU CA . 51647 1 151 . 1 . 1 61 61 GLU CB C 13 30.912 0.000 . 1 . . . . . 61 GLU CB . 51647 1 152 . 1 . 1 61 61 GLU N N 15 118.806 0.000 . 1 . . . . . 61 GLU N . 51647 1 153 . 1 . 1 63 63 SER H H 1 6.910 0.000 . 1 . . . . . 63 SER H . 51647 1 154 . 1 . 1 63 63 SER CA C 13 57.426 0.000 . 1 . . . . . 63 SER CA . 51647 1 155 . 1 . 1 63 63 SER CB C 13 63.398 0.000 . 1 . . . . . 63 SER CB . 51647 1 156 . 1 . 1 63 63 SER N N 15 104.486 0.000 . 1 . . . . . 63 SER N . 51647 1 157 . 1 . 1 64 64 ASP H H 1 7.857 0.000 . 1 . . . . . 64 ASP H . 51647 1 158 . 1 . 1 64 64 ASP CA C 13 55.982 0.000 . 1 . . . . . 64 ASP CA . 51647 1 159 . 1 . 1 64 64 ASP CB C 13 40.690 0.000 . 1 . . . . . 64 ASP CB . 51647 1 160 . 1 . 1 64 64 ASP N N 15 124.585 0.000 . 1 . . . . . 64 ASP N . 51647 1 161 . 1 . 1 65 65 THR H H 1 7.659 0.000 . 1 . . . . . 65 THR H . 51647 1 162 . 1 . 1 65 65 THR CA C 13 59.657 0.000 . 1 . . . . . 65 THR CA . 51647 1 163 . 1 . 1 65 65 THR CB C 13 71.142 0.000 . 1 . . . . . 65 THR CB . 51647 1 164 . 1 . 1 65 65 THR N N 15 109.968 0.000 . 1 . . . . . 65 THR N . 51647 1 165 . 1 . 1 66 66 ILE H H 1 8.333 0.000 . 1 . . . . . 66 ILE H . 51647 1 166 . 1 . 1 66 66 ILE CA C 13 62.282 0.000 . 1 . . . . . 66 ILE CA . 51647 1 167 . 1 . 1 66 66 ILE CB C 13 34.324 0.000 . 1 . . . . . 66 ILE CB . 51647 1 168 . 1 . 1 66 66 ILE N N 15 122.041 0.000 . 1 . . . . . 66 ILE N . 51647 1 169 . 1 . 1 68 68 ASN H H 1 7.760 0.000 . 1 . . . . . 68 ASN H . 51647 1 170 . 1 . 1 68 68 ASN CA C 13 55.916 0.000 . 1 . . . . . 68 ASN CA . 51647 1 171 . 1 . 1 68 68 ASN CB C 13 38.131 0.000 . 1 . . . . . 68 ASN CB . 51647 1 172 . 1 . 1 68 68 ASN N N 15 122.333 0.000 . 1 . . . . . 68 ASN N . 51647 1 173 . 1 . 1 69 69 VAL H H 1 7.936 0.000 . 1 . . . . . 69 VAL H . 51647 1 174 . 1 . 1 69 69 VAL CA C 13 67.664 0.000 . 1 . . . . . 69 VAL CA . 51647 1 175 . 1 . 1 69 69 VAL CB C 13 30.518 0.000 . 1 . . . . . 69 VAL CB . 51647 1 176 . 1 . 1 69 69 VAL N N 15 123.005 0.000 . 1 . . . . . 69 VAL N . 51647 1 177 . 1 . 1 70 70 LYS H H 1 8.380 0.000 . 1 . . . . . 70 LYS H . 51647 1 178 . 1 . 1 70 70 LYS CA C 13 59.263 0.000 . 1 . . . . . 70 LYS CA . 51647 1 179 . 1 . 1 70 70 LYS CB C 13 33.471 0.000 . 1 . . . . . 70 LYS CB . 51647 1 180 . 1 . 1 70 70 LYS N N 15 119.838 0.000 . 1 . . . . . 70 LYS N . 51647 1 181 . 1 . 1 71 71 ALA H H 1 7.799 0.000 . 1 . . . . . 71 ALA H . 51647 1 182 . 1 . 1 71 71 ALA CA C 13 55.325 0.000 . 1 . . . . . 71 ALA CA . 51647 1 183 . 1 . 1 71 71 ALA CB C 13 17.458 0.000 . 1 . . . . . 71 ALA CB . 51647 1 184 . 1 . 1 71 71 ALA N N 15 124.320 0.000 . 1 . . . . . 71 ALA N . 51647 1 185 . 1 . 1 72 72 LYS H H 1 7.711 0.000 . 1 . . . . . 72 LYS H . 51647 1 186 . 1 . 1 72 72 LYS CA C 13 59.919 0.000 . 1 . . . . . 72 LYS CA . 51647 1 187 . 1 . 1 72 72 LYS CB C 13 33.143 0.000 . 1 . . . . . 72 LYS CB . 51647 1 188 . 1 . 1 72 72 LYS N N 15 121.189 0.000 . 1 . . . . . 72 LYS N . 51647 1 189 . 1 . 1 73 73 ILE H H 1 8.117 0.000 . 1 . . . . . 73 ILE H . 51647 1 190 . 1 . 1 73 73 ILE CA C 13 66.154 0.000 . 1 . . . . . 73 ILE CA . 51647 1 191 . 1 . 1 73 73 ILE CB C 13 36.621 0.000 . 1 . . . . . 73 ILE CB . 51647 1 192 . 1 . 1 73 73 ILE N N 15 122.084 0.000 . 1 . . . . . 73 ILE N . 51647 1 193 . 1 . 1 74 74 GLN H H 1 8.374 0.000 . 1 . . . . . 74 GLN H . 51647 1 194 . 1 . 1 74 74 GLN CA C 13 60.051 0.000 . 1 . . . . . 74 GLN CA . 51647 1 195 . 1 . 1 74 74 GLN CB C 13 27.499 0.000 . 1 . . . . . 74 GLN CB . 51647 1 196 . 1 . 1 74 74 GLN N N 15 124.328 0.000 . 1 . . . . . 74 GLN N . 51647 1 197 . 1 . 1 75 75 ASP H H 1 7.855 0.000 . 1 . . . . . 75 ASP H . 51647 1 198 . 1 . 1 75 75 ASP CA C 13 57.491 0.000 . 1 . . . . . 75 ASP CA . 51647 1 199 . 1 . 1 75 75 ASP CB C 13 40.887 0.000 . 1 . . . . . 75 ASP CB . 51647 1 200 . 1 . 1 75 75 ASP N N 15 120.638 0.000 . 1 . . . . . 75 ASP N . 51647 1 201 . 1 . 1 76 76 LYS H H 1 7.275 0.000 . 1 . . . . . 76 LYS H . 51647 1 202 . 1 . 1 76 76 LYS CA C 13 58.279 0.000 . 1 . . . . . 76 LYS CA . 51647 1 203 . 1 . 1 76 76 LYS CB C 13 33.799 0.000 . 1 . . . . . 76 LYS CB . 51647 1 204 . 1 . 1 76 76 LYS N N 15 116.244 0.000 . 1 . . . . . 76 LYS N . 51647 1 205 . 1 . 1 77 77 GLU H H 1 8.552 0.000 . 1 . . . . . 77 GLU H . 51647 1 206 . 1 . 1 77 77 GLU CA C 13 55.325 0.000 . 1 . . . . . 77 GLU CA . 51647 1 207 . 1 . 1 77 77 GLU CB C 13 33.209 0.000 . 1 . . . . . 77 GLU CB . 51647 1 208 . 1 . 1 77 77 GLU N N 15 115.131 0.000 . 1 . . . . . 77 GLU N . 51647 1 209 . 1 . 1 78 78 GLY H H 1 8.325 0.000 . 1 . . . . . 78 GLY H . 51647 1 210 . 1 . 1 78 78 GLY CA C 13 45.941 0.000 . 1 . . . . . 78 GLY CA . 51647 1 211 . 1 . 1 78 78 GLY N N 15 109.753 0.000 . 1 . . . . . 78 GLY N . 51647 1 212 . 1 . 1 79 79 ILE H H 1 5.966 0.000 . 1 . . . . . 79 ILE H . 51647 1 213 . 1 . 1 79 79 ILE CA C 13 57.819 0.000 . 1 . . . . . 79 ILE CA . 51647 1 214 . 1 . 1 79 79 ILE CB C 13 40.297 0.000 . 1 . . . . . 79 ILE CB . 51647 1 215 . 1 . 1 79 79 ILE N N 15 121.148 0.000 . 1 . . . . . 79 ILE N . 51647 1 216 . 1 . 1 81 81 PRO CA C 13 66.154 0.000 . 1 . . . . . 81 PRO CA . 51647 1 217 . 1 . 1 82 82 ASP H H 1 8.359 0.000 . 1 . . . . . 82 ASP H . 51647 1 218 . 1 . 1 82 82 ASP CA C 13 55.785 0.000 . 1 . . . . . 82 ASP CA . 51647 1 219 . 1 . 1 82 82 ASP CB C 13 39.509 0.000 . 1 . . . . . 82 ASP CB . 51647 1 220 . 1 . 1 82 82 ASP N N 15 114.488 0.000 . 1 . . . . . 82 ASP N . 51647 1 221 . 1 . 1 83 83 GLN H H 1 7.642 0.000 . 1 . . . . . 83 GLN H . 51647 1 222 . 1 . 1 83 83 GLN CA C 13 55.654 0.000 . 1 . . . . . 83 GLN CA . 51647 1 223 . 1 . 1 83 83 GLN CB C 13 29.862 0.000 . 1 . . . . . 83 GLN CB . 51647 1 224 . 1 . 1 83 83 GLN N N 15 117.662 0.000 . 1 . . . . . 83 GLN N . 51647 1 225 . 1 . 1 84 84 GLN H H 1 7.316 0.000 . 1 . . . . . 84 GLN H . 51647 1 226 . 1 . 1 84 84 GLN CA C 13 56.704 0.000 . 1 . . . . . 84 GLN CA . 51647 1 227 . 1 . 1 84 84 GLN CB C 13 31.240 0.000 . 1 . . . . . 84 GLN CB . 51647 1 228 . 1 . 1 84 84 GLN N N 15 118.907 0.000 . 1 . . . . . 84 GLN N . 51647 1 229 . 1 . 1 85 85 ARG H H 1 8.317 0.000 . 1 . . . . . 85 ARG H . 51647 1 230 . 1 . 1 85 85 ARG CA C 13 55.207 0.000 . 1 . . . . . 85 ARG CA . 51647 1 231 . 1 . 1 85 85 ARG CB C 13 31.437 0.000 . 1 . . . . . 85 ARG CB . 51647 1 232 . 1 . 1 85 85 ARG N N 15 123.931 0.000 . 1 . . . . . 85 ARG N . 51647 1 233 . 1 . 1 86 86 LEU H H 1 8.657 0.000 . 1 . . . . . 86 LEU H . 51647 1 234 . 1 . 1 86 86 LEU CA C 13 53.028 0.000 . 1 . . . . . 86 LEU CA . 51647 1 235 . 1 . 1 86 86 LEU CB C 13 45.613 0.000 . 1 . . . . . 86 LEU CB . 51647 1 236 . 1 . 1 86 86 LEU N N 15 125.278 0.000 . 1 . . . . . 86 LEU N . 51647 1 237 . 1 . 1 87 87 ILE H H 1 8.943 0.000 . 1 . . . . . 87 ILE H . 51647 1 238 . 1 . 1 87 87 ILE CA C 13 58.869 0.000 . 1 . . . . . 87 ILE CA . 51647 1 239 . 1 . 1 87 87 ILE CB C 13 40.887 0.000 . 1 . . . . . 87 ILE CB . 51647 1 240 . 1 . 1 87 87 ILE N N 15 123.097 0.000 . 1 . . . . . 87 ILE N . 51647 1 241 . 1 . 1 88 88 PHE H H 1 8.675 0.000 . 1 . . . . . 88 PHE H . 51647 1 242 . 1 . 1 88 88 PHE CA C 13 56.376 0.000 . 1 . . . . . 88 PHE CA . 51647 1 243 . 1 . 1 88 88 PHE CB C 13 43.512 0.000 . 1 . . . . . 88 PHE CB . 51647 1 244 . 1 . 1 88 88 PHE N N 15 125.773 0.000 . 1 . . . . . 88 PHE N . 51647 1 245 . 1 . 1 89 89 ALA H H 1 8.845 0.000 . 1 . . . . . 89 ALA H . 51647 1 246 . 1 . 1 89 89 ALA CA C 13 52.503 0.000 . 1 . . . . . 89 ALA CA . 51647 1 247 . 1 . 1 89 89 ALA CB C 13 16.211 0.000 . 1 . . . . . 89 ALA CB . 51647 1 248 . 1 . 1 89 89 ALA N N 15 133.83 0.000 . 1 . . . . . 89 ALA N . 51647 1 249 . 1 . 1 90 90 GLY H H 1 7.937 0.000 . 1 . . . . . 90 GLY H . 51647 1 250 . 1 . 1 90 90 GLY CA C 13 45.219 0.000 . 1 . . . . . 90 GLY CA . 51647 1 251 . 1 . 1 90 90 GLY N N 15 103.239 0.000 . 1 . . . . . 90 GLY N . 51647 1 252 . 1 . 1 91 91 LYS H H 1 7.793 0.000 . 1 . . . . . 91 LYS H . 51647 1 253 . 1 . 1 91 91 LYS CA C 13 54.538 0.000 . 1 . . . . . 91 LYS CA . 51647 1 254 . 1 . 1 91 91 LYS CB C 13 34.193 0.000 . 1 . . . . . 91 LYS CB . 51647 1 255 . 1 . 1 91 91 LYS N N 15 122.829 0.000 . 1 . . . . . 91 LYS N . 51647 1 256 . 1 . 1 92 92 GLN H H 1 8.492 0.000 . 1 . . . . . 92 GLN H . 51647 1 257 . 1 . 1 92 92 GLN CA C 13 55.916 0.000 . 1 . . . . . 92 GLN CA . 51647 1 258 . 1 . 1 92 92 GLN CB C 13 28.812 0.000 . 1 . . . . . 92 GLN CB . 51647 1 259 . 1 . 1 92 92 GLN N N 15 123.978 0.000 . 1 . . . . . 92 GLN N . 51647 1 260 . 1 . 1 93 93 LEU H H 1 8.389 0.000 . 1 . . . . . 93 LEU H . 51647 1 261 . 1 . 1 93 93 LEU CA C 13 54.210 0.000 . 1 . . . . . 93 LEU CA . 51647 1 262 . 1 . 1 93 93 LEU CB C 13 41.215 0.000 . 1 . . . . . 93 LEU CB . 51647 1 263 . 1 . 1 93 93 LEU N N 15 126.572 0.000 . 1 . . . . . 93 LEU N . 51647 1 264 . 1 . 1 94 94 GLU H H 1 8.236 0.000 . 1 . . . . . 94 GLU H . 51647 1 265 . 1 . 1 94 94 GLU CA C 13 55.851 0.000 . 1 . . . . . 94 GLU CA . 51647 1 266 . 1 . 1 94 94 GLU CB C 13 31.765 0.000 . 1 . . . . . 94 GLU CB . 51647 1 267 . 1 . 1 94 94 GLU N N 15 123.915 0.000 . 1 . . . . . 94 GLU N . 51647 1 268 . 1 . 1 95 95 ASP H H 1 7.999 0.000 . 1 . . . . . 95 ASP H . 51647 1 269 . 1 . 1 95 95 ASP CA C 13 56.244 0.000 . 1 . . . . . 95 ASP CA . 51647 1 270 . 1 . 1 95 95 ASP CB C 13 40.517 0.000 . 1 . . . . . 95 ASP CB . 51647 1 271 . 1 . 1 95 95 ASP N N 15 121.171 0.000 . 1 . . . . . 95 ASP N . 51647 1 272 . 1 . 1 96 96 GLY CA C 13 45.022 0.000 . 1 . . . . . 96 GLY CA . 51647 1 273 . 1 . 1 97 97 ARG H H 1 7.277 0.000 . 1 . . . . . 97 ARG H . 51647 1 274 . 1 . 1 97 97 ARG CA C 13 54.210 0.000 . 1 . . . . . 97 ARG CA . 51647 1 275 . 1 . 1 97 97 ARG CB C 13 32.552 0.000 . 1 . . . . . 97 ARG CB . 51647 1 276 . 1 . 1 97 97 ARG N N 15 120.134 0.000 . 1 . . . . . 97 ARG N . 51647 1 277 . 1 . 1 98 98 THR H H 1 8.667 0.000 . 1 . . . . . 98 THR H . 51647 1 278 . 1 . 1 98 98 THR CA C 13 59.723 0.000 . 1 . . . . . 98 THR CA . 51647 1 279 . 1 . 1 98 98 THR CB C 13 72.258 0.000 . 1 . . . . . 98 THR CB . 51647 1 280 . 1 . 1 98 98 THR N N 15 109.675 0.000 . 1 . . . . . 98 THR N . 51647 1 281 . 1 . 1 99 99 LEU H H 1 8.005 0.000 . 1 . . . . . 99 LEU H . 51647 1 282 . 1 . 1 99 99 LEU CA C 13 58.541 0.000 . 1 . . . . . 99 LEU CA . 51647 1 283 . 1 . 1 99 99 LEU CB C 13 40.168 0.000 . 1 . . . . . 99 LEU CB . 51647 1 284 . 1 . 1 99 99 LEU N N 15 118.591 0.000 . 1 . . . . . 99 LEU N . 51647 1 285 . 1 . 1 100 100 SER H H 1 8.209 0.000 . 1 . . . . . 100 SER H . 51647 1 286 . 1 . 1 100 100 SER CA C 13 61.166 0.000 . 1 . . . . . 100 SER CA . 51647 1 287 . 1 . 1 100 100 SER CB C 13 62.545 0.000 . 1 . . . . . 100 SER CB . 51647 1 288 . 1 . 1 100 100 SER N N 15 114.171 0.000 . 1 . . . . . 100 SER N . 51647 1 289 . 1 . 1 101 101 ASP H H 1 7.770 0.000 . 1 . . . . . 101 ASP H . 51647 1 290 . 1 . 1 101 101 ASP CA C 13 57.426 0.000 . 1 . . . . . 101 ASP CA . 51647 1 291 . 1 . 1 101 101 ASP CB C 13 40.165 0.000 . 1 . . . . . 101 ASP CB . 51647 1 292 . 1 . 1 101 101 ASP N N 15 125.421 0.000 . 1 . . . . . 101 ASP N . 51647 1 293 . 1 . 1 102 102 TYR H H 1 7.072 0.000 . 1 . . . . . 102 TYR H . 51647 1 294 . 1 . 1 102 102 TYR CA C 13 58.279 0.000 . 1 . . . . . 102 TYR CA . 51647 1 295 . 1 . 1 102 102 TYR CB C 13 39.903 0.000 . 1 . . . . . 102 TYR CB . 51647 1 296 . 1 . 1 102 102 TYR N N 15 116.508 0.000 . 1 . . . . . 102 TYR N . 51647 1 297 . 1 . 1 103 103 ASN H H 1 7.978 0.000 . 1 . . . . . 103 ASN H . 51647 1 298 . 1 . 1 103 103 ASN CA C 13 54.144 0.000 . 1 . . . . . 103 ASN CA . 51647 1 299 . 1 . 1 103 103 ASN CB C 13 37.212 0.000 . 1 . . . . . 103 ASN CB . 51647 1 300 . 1 . 1 103 103 ASN N N 15 116.828 0.000 . 1 . . . . . 103 ASN N . 51647 1 301 . 1 . 1 104 104 ILE H H 1 7.097 0.000 . 1 . . . . . 104 ILE H . 51647 1 302 . 1 . 1 104 104 ILE CA C 13 62.479 0.000 . 1 . . . . . 104 ILE CA . 51647 1 303 . 1 . 1 104 104 ILE CB C 13 36.556 0.000 . 1 . . . . . 104 ILE CB . 51647 1 304 . 1 . 1 104 104 ILE N N 15 119.779 0.000 . 1 . . . . . 104 ILE N . 51647 1 305 . 1 . 1 105 105 GLN H H 1 7.435 0.000 . 1 . . . . . 105 GLN H . 51647 1 306 . 1 . 1 105 105 GLN CA C 13 53.554 0.000 . 1 . . . . . 105 GLN CA . 51647 1 307 . 1 . 1 105 105 GLN CB C 13 31.437 0.000 . 1 . . . . . 105 GLN CB . 51647 1 308 . 1 . 1 105 105 GLN N N 15 125.646 0.000 . 1 . . . . . 105 GLN N . 51647 1 309 . 1 . 1 106 106 LYS H H 1 8.304 0.000 . 1 . . . . . 106 LYS H . 51647 1 310 . 1 . 1 106 106 LYS CA C 13 58.016 0.000 . 1 . . . . . 106 LYS CA . 51647 1 311 . 1 . 1 106 106 LYS CB C 13 32.356 0.000 . 1 . . . . . 106 LYS CB . 51647 1 312 . 1 . 1 106 106 LYS N N 15 121.204 0.000 . 1 . . . . . 106 LYS N . 51647 1 313 . 1 . 1 107 107 GLU H H 1 9.120 0.000 . 1 . . . . . 107 GLU H . 51647 1 314 . 1 . 1 107 107 GLU CA C 13 58.279 0.000 . 1 . . . . . 107 GLU CA . 51647 1 315 . 1 . 1 107 107 GLU CB C 13 25.793 0.000 . 1 . . . . . 107 GLU CB . 51647 1 316 . 1 . 1 107 107 GLU N N 15 115.594 0.000 . 1 . . . . . 107 GLU N . 51647 1 317 . 1 . 1 108 108 SER H H 1 7.520 0.000 . 1 . . . . . 108 SER H . 51647 1 318 . 1 . 1 108 108 SER CA C 13 61.035 0.000 . 1 . . . . . 108 SER CA . 51647 1 319 . 1 . 1 108 108 SER CB C 13 64.842 0.000 . 1 . . . . . 108 SER CB . 51647 1 320 . 1 . 1 108 108 SER N N 15 115.844 0.000 . 1 . . . . . 108 SER N . 51647 1 321 . 1 . 1 109 109 THR H H 1 8.544 0.000 . 1 . . . . . 109 THR H . 51647 1 322 . 1 . 1 109 109 THR CA C 13 62.610 0.000 . 1 . . . . . 109 THR CA . 51647 1 323 . 1 . 1 109 109 THR CB C 13 70.289 0.000 . 1 . . . . . 109 THR CB . 51647 1 324 . 1 . 1 109 109 THR N N 15 118.197 0.000 . 1 . . . . . 109 THR N . 51647 1 325 . 1 . 1 110 110 LEU H H 1 9.262 0.000 . 1 . . . . . 110 LEU H . 51647 1 326 . 1 . 1 110 110 LEU CA C 13 53.816 0.000 . 1 . . . . . 110 LEU CA . 51647 1 327 . 1 . 1 110 110 LEU CB C 13 44.300 0.000 . 1 . . . . . 110 LEU CB . 51647 1 328 . 1 . 1 110 110 LEU N N 15 128.715 0.000 . 1 . . . . . 110 LEU N . 51647 1 329 . 1 . 1 111 111 HIS H H 1 9.045 0.000 . 1 . . . . . 111 HIS H . 51647 1 330 . 1 . 1 111 111 HIS CA C 13 56.310 0.000 . 1 . . . . . 111 HIS CA . 51647 1 331 . 1 . 1 111 111 HIS CB C 13 32.224 0.000 . 1 . . . . . 111 HIS CB . 51647 1 332 . 1 . 1 111 111 HIS N N 15 120.269 0.000 . 1 . . . . . 111 HIS N . 51647 1 333 . 1 . 1 112 112 LEU H H 1 8.102 0.000 . 1 . . . . . 112 LEU H . 51647 1 334 . 1 . 1 112 112 LEU CA C 13 53.721 0.000 . 1 . . . . . 112 LEU CA . 51647 1 335 . 1 . 1 112 112 LEU CB C 13 43.972 0.000 . 1 . . . . . 112 LEU CB . 51647 1 336 . 1 . 1 112 112 LEU N N 15 124.580 0.000 . 1 . . . . . 112 LEU N . 51647 1 337 . 1 . 1 113 113 VAL H H 1 9.006 0.000 . 1 . . . . . 113 VAL H . 51647 1 338 . 1 . 1 113 113 VAL CA C 13 60.510 0.000 . 1 . . . . . 113 VAL CA . 51647 1 339 . 1 . 1 113 113 VAL CB C 13 34.587 0.000 . 1 . . . . . 113 VAL CB . 51647 1 340 . 1 . 1 113 113 VAL N N 15 127.396 0.000 . 1 . . . . . 113 VAL N . 51647 1 341 . 1 . 1 114 114 LEU H H 1 7.952 0.000 . 1 . . . . . 114 LEU H . 51647 1 342 . 1 . 1 114 114 LEU CA C 13 54.013 0.000 . 1 . . . . . 114 LEU CA . 51647 1 343 . 1 . 1 114 114 LEU CB C 13 42.594 0.000 . 1 . . . . . 114 LEU CB . 51647 1 344 . 1 . 1 114 114 LEU N N 15 123.864 0.000 . 1 . . . . . 114 LEU N . 51647 1 345 . 1 . 1 115 115 ARG H H 1 8.426 0.000 . 1 . . . . . 115 ARG H . 51647 1 346 . 1 . 1 115 115 ARG CA C 13 55.654 0.000 . 1 . . . . . 115 ARG CA . 51647 1 347 . 1 . 1 115 115 ARG CB C 13 31.109 0.000 . 1 . . . . . 115 ARG CB . 51647 1 348 . 1 . 1 115 115 ARG N N 15 124.591 0.000 . 1 . . . . . 115 ARG N . 51647 1 349 . 1 . 1 116 116 LEU H H 1 8.204 0.000 . 1 . . . . . 116 LEU H . 51647 1 350 . 1 . 1 116 116 LEU CA C 13 54.735 0.000 . 1 . . . . . 116 LEU CA . 51647 1 351 . 1 . 1 116 116 LEU CB C 13 42.265 0.000 . 1 . . . . . 116 LEU CB . 51647 1 352 . 1 . 1 116 116 LEU N N 15 125.428 0.000 . 1 . . . . . 116 LEU N . 51647 1 353 . 1 . 1 117 117 ARG H H 1 8.295 0.000 . 1 . . . . . 117 ARG H . 51647 1 354 . 1 . 1 117 117 ARG CA C 13 56.507 0.000 . 1 . . . . . 117 ARG CA . 51647 1 355 . 1 . 1 117 117 ARG CB C 13 30.387 0.000 . 1 . . . . . 117 ARG CB . 51647 1 356 . 1 . 1 117 117 ARG N N 15 122.900 0.000 . 1 . . . . . 117 ARG N . 51647 1 357 . 1 . 1 118 118 GLY H H 1 8.338 0.000 . 1 . . . . . 118 GLY H . 51647 1 358 . 1 . 1 118 118 GLY CA C 13 45.080 0.000 . 1 . . . . . 118 GLY CA . 51647 1 359 . 1 . 1 118 118 GLY N N 15 111.974 0.000 . 1 . . . . . 118 GLY N . 51647 1 360 . 1 . 1 119 119 GLY H H 1 7.783 0.000 . 1 . . . . . 119 GLY H . 51647 1 361 . 1 . 1 119 119 GLY CA C 13 45.875 0.000 . 1 . . . . . 119 GLY CA . 51647 1 362 . 1 . 1 119 119 GLY N N 15 115.896 0.000 . 1 . . . . . 119 GLY N . 51647 1 stop_ save_