data_51376 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51376 _Entry.Title ; Backbone chemical shifts of Spd1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-21 _Entry.Accession_date 2022-03-21 _Entry.Last_release_date 2022-03-21 _Entry.Original_release_date 2022-03-21 _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 Sebastian Broendum . S. . . 51376 2 Andreas Prestel . . . . 51376 3 Birthe Kragelund . B. . . 51376 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Copenhagen' . 51376 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51376 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 344 51376 '15N chemical shifts' 103 51376 '1H chemical shifts' 103 51376 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 . . 2022-09-13 . original BMRB . 51376 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51376 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35974206 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A context-dependent and disordered ubiquitin-binding motif ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell. Mol. Life Sci.' _Citation.Journal_name_full 'Cellular and molecular life sciences : CMLS' _Citation.Journal_volume 79 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1420-9071 _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 484 _Citation.Page_last 484 _Citation.Year 2022 _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 Jesper Dreier J. E. . . 51376 1 2 Andreas Prestel A. . . . 51376 1 3 Joao Martins J. M. . . 51376 1 4 Sebastian Brondum S. S. . . 51376 1 5 Olaf Nielsen O. . . . 51376 1 6 Anna Garbers A. E. . . 51376 1 7 Hiroaki Suga H. . . . 51376 1 8 Wouter Boomsma W. . . . 51376 1 9 Joseph Rogers J. M. . . 51376 1 10 Rasmus Hartmann-Petersen R. . . . 51376 1 11 Birthe Kragelund B. B. . . 51376 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51376 _Assembly.ID 1 _Assembly.Name 0 _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 Spd1 1 $entity_1 . . yes native no no . . . 51376 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51376 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spd1 _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 ; MHSSKRVMTTKTHVEQPESS MRPQLPESIQGSLMDVGMRV RKSISTGYKSKQTTFPAYNP PLYNTVSENIALKNTAFSYE PNGTKRPFEQAIPNYNWANP PQDFEEPEWLKPFDVVMEGT NERL ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51376 1 2 . HIS . 51376 1 3 . SER . 51376 1 4 . SER . 51376 1 5 . LYS . 51376 1 6 . ARG . 51376 1 7 . VAL . 51376 1 8 . MET . 51376 1 9 . THR . 51376 1 10 . THR . 51376 1 11 . LYS . 51376 1 12 . THR . 51376 1 13 . HIS . 51376 1 14 . VAL . 51376 1 15 . GLU . 51376 1 16 . GLN . 51376 1 17 . PRO . 51376 1 18 . GLU . 51376 1 19 . SER . 51376 1 20 . SER . 51376 1 21 . MET . 51376 1 22 . ARG . 51376 1 23 . PRO . 51376 1 24 . GLN . 51376 1 25 . LEU . 51376 1 26 . PRO . 51376 1 27 . GLU . 51376 1 28 . SER . 51376 1 29 . ILE . 51376 1 30 . GLN . 51376 1 31 . GLY . 51376 1 32 . SER . 51376 1 33 . LEU . 51376 1 34 . MET . 51376 1 35 . ASP . 51376 1 36 . VAL . 51376 1 37 . GLY . 51376 1 38 . MET . 51376 1 39 . ARG . 51376 1 40 . VAL . 51376 1 41 . ARG . 51376 1 42 . LYS . 51376 1 43 . SER . 51376 1 44 . ILE . 51376 1 45 . SER . 51376 1 46 . THR . 51376 1 47 . GLY . 51376 1 48 . TYR . 51376 1 49 . LYS . 51376 1 50 . SER . 51376 1 51 . LYS . 51376 1 52 . GLN . 51376 1 53 . THR . 51376 1 54 . THR . 51376 1 55 . PHE . 51376 1 56 . PRO . 51376 1 57 . ALA . 51376 1 58 . TYR . 51376 1 59 . ASN . 51376 1 60 . PRO . 51376 1 61 . PRO . 51376 1 62 . LEU . 51376 1 63 . TYR . 51376 1 64 . ASN . 51376 1 65 . THR . 51376 1 66 . VAL . 51376 1 67 . SER . 51376 1 68 . GLU . 51376 1 69 . ASN . 51376 1 70 . ILE . 51376 1 71 . ALA . 51376 1 72 . LEU . 51376 1 73 . LYS . 51376 1 74 . ASN . 51376 1 75 . THR . 51376 1 76 . ALA . 51376 1 77 . PHE . 51376 1 78 . SER . 51376 1 79 . TYR . 51376 1 80 . GLU . 51376 1 81 . PRO . 51376 1 82 . ASN . 51376 1 83 . GLY . 51376 1 84 . THR . 51376 1 85 . LYS . 51376 1 86 . ARG . 51376 1 87 . PRO . 51376 1 88 . PHE . 51376 1 89 . GLU . 51376 1 90 . GLN . 51376 1 91 . ALA . 51376 1 92 . ILE . 51376 1 93 . PRO . 51376 1 94 . ASN . 51376 1 95 . TYR . 51376 1 96 . ASN . 51376 1 97 . TRP . 51376 1 98 . ALA . 51376 1 99 . ASN . 51376 1 100 . PRO . 51376 1 101 . PRO . 51376 1 102 . GLN . 51376 1 103 . ASP . 51376 1 104 . PHE . 51376 1 105 . GLU . 51376 1 106 . GLU . 51376 1 107 . PRO . 51376 1 108 . GLU . 51376 1 109 . TRP . 51376 1 110 . LEU . 51376 1 111 . LYS . 51376 1 112 . PRO . 51376 1 113 . PHE . 51376 1 114 . ASP . 51376 1 115 . VAL . 51376 1 116 . VAL . 51376 1 117 . MET . 51376 1 118 . GLU . 51376 1 119 . GLY . 51376 1 120 . THR . 51376 1 121 . ASN . 51376 1 122 . GLU . 51376 1 123 . ARG . 51376 1 124 . LEU . 51376 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 . MET 1 1 51376 1 . HIS 2 2 51376 1 . SER 3 3 51376 1 . SER 4 4 51376 1 . LYS 5 5 51376 1 . ARG 6 6 51376 1 . VAL 7 7 51376 1 . MET 8 8 51376 1 . THR 9 9 51376 1 . THR 10 10 51376 1 . LYS 11 11 51376 1 . THR 12 12 51376 1 . HIS 13 13 51376 1 . VAL 14 14 51376 1 . GLU 15 15 51376 1 . GLN 16 16 51376 1 . PRO 17 17 51376 1 . GLU 18 18 51376 1 . SER 19 19 51376 1 . SER 20 20 51376 1 . MET 21 21 51376 1 . ARG 22 22 51376 1 . PRO 23 23 51376 1 . GLN 24 24 51376 1 . LEU 25 25 51376 1 . PRO 26 26 51376 1 . GLU 27 27 51376 1 . SER 28 28 51376 1 . ILE 29 29 51376 1 . GLN 30 30 51376 1 . GLY 31 31 51376 1 . SER 32 32 51376 1 . LEU 33 33 51376 1 . MET 34 34 51376 1 . ASP 35 35 51376 1 . VAL 36 36 51376 1 . GLY 37 37 51376 1 . MET 38 38 51376 1 . ARG 39 39 51376 1 . VAL 40 40 51376 1 . ARG 41 41 51376 1 . LYS 42 42 51376 1 . SER 43 43 51376 1 . ILE 44 44 51376 1 . SER 45 45 51376 1 . THR 46 46 51376 1 . GLY 47 47 51376 1 . TYR 48 48 51376 1 . LYS 49 49 51376 1 . SER 50 50 51376 1 . LYS 51 51 51376 1 . GLN 52 52 51376 1 . THR 53 53 51376 1 . THR 54 54 51376 1 . PHE 55 55 51376 1 . PRO 56 56 51376 1 . ALA 57 57 51376 1 . TYR 58 58 51376 1 . ASN 59 59 51376 1 . PRO 60 60 51376 1 . PRO 61 61 51376 1 . LEU 62 62 51376 1 . TYR 63 63 51376 1 . ASN 64 64 51376 1 . THR 65 65 51376 1 . VAL 66 66 51376 1 . SER 67 67 51376 1 . GLU 68 68 51376 1 . ASN 69 69 51376 1 . ILE 70 70 51376 1 . ALA 71 71 51376 1 . LEU 72 72 51376 1 . LYS 73 73 51376 1 . ASN 74 74 51376 1 . THR 75 75 51376 1 . ALA 76 76 51376 1 . PHE 77 77 51376 1 . SER 78 78 51376 1 . TYR 79 79 51376 1 . GLU 80 80 51376 1 . PRO 81 81 51376 1 . ASN 82 82 51376 1 . GLY 83 83 51376 1 . THR 84 84 51376 1 . LYS 85 85 51376 1 . ARG 86 86 51376 1 . PRO 87 87 51376 1 . PHE 88 88 51376 1 . GLU 89 89 51376 1 . GLN 90 90 51376 1 . ALA 91 91 51376 1 . ILE 92 92 51376 1 . PRO 93 93 51376 1 . ASN 94 94 51376 1 . TYR 95 95 51376 1 . ASN 96 96 51376 1 . TRP 97 97 51376 1 . ALA 98 98 51376 1 . ASN 99 99 51376 1 . PRO 100 100 51376 1 . PRO 101 101 51376 1 . GLN 102 102 51376 1 . ASP 103 103 51376 1 . PHE 104 104 51376 1 . GLU 105 105 51376 1 . GLU 106 106 51376 1 . PRO 107 107 51376 1 . GLU 108 108 51376 1 . TRP 109 109 51376 1 . LEU 110 110 51376 1 . LYS 111 111 51376 1 . PRO 112 112 51376 1 . PHE 113 113 51376 1 . ASP 114 114 51376 1 . VAL 115 115 51376 1 . VAL 116 116 51376 1 . MET 117 117 51376 1 . GLU 118 118 51376 1 . GLY 119 119 51376 1 . THR 120 120 51376 1 . ASN 121 121 51376 1 . GLU 122 122 51376 1 . ARG 123 123 51376 1 . LEU 124 124 51376 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 51376 _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 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . 51376 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 51376 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pET24b . . . 51376 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51376 _Sample.ID 1 _Sample.Name Sample_Assignment _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 Spd1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 50 . . uM 1 . . . 51376 1 2 DSS 'natural abundance' . . . . . . 250 . . uM . . . . 51376 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51376 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51376 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 51376 _Sample_condition_list.ID 1 _Sample_condition_list.Name buffer_comp _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' 120 5 mM 51376 1 pH 7.4 0.1 pH 51376 1 pressure 1 0.01 atm 51376 1 temperature 277.15 0.5 K 51376 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51376 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51376 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51376 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version 9.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51376 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 51376 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name v800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 51376 _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 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51376 1 2 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51376 1 3 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51376 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51376 1 5 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51376 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 51376 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref _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 . . . . . 51376 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51376 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51376 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 51376 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Spd1_ass _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 '3D HNCACB' . . . 51376 1 2 '3D HN(CO)CACB' . . . 51376 1 3 '3D HNCO' . . . 51376 1 4 '3D HN(CA)CO' . . . 51376 1 5 '2D 1H-15N HSQC' . . . 51376 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 . . 51376 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 5 5 LYS C C 13 176.460 0.000 . 1 . . . . . 5 LYS C . 51376 1 2 . 1 . 1 5 5 LYS CA C 13 56.251 0.000 . 1 . . . . . 5 LYS CA . 51376 1 3 . 1 . 1 5 5 LYS CB C 13 32.912 0.000 . 1 . . . . . 5 LYS CB . 51376 1 4 . 1 . 1 6 6 ARG H H 1 8.383 0.006 . 1 . . . . . 6 ARG H . 51376 1 5 . 1 . 1 6 6 ARG C C 13 176.146 0.000 . 1 . . . . . 6 ARG C . 51376 1 6 . 1 . 1 6 6 ARG CA C 13 56.153 0.000 . 1 . . . . . 6 ARG CA . 51376 1 7 . 1 . 1 6 6 ARG CB C 13 30.891 0.000 . 1 . . . . . 6 ARG CB . 51376 1 8 . 1 . 1 6 6 ARG N N 15 123.222 0.039 . 1 . . . . . 6 ARG N . 51376 1 9 . 1 . 1 7 7 VAL H H 1 8.434 0.003 . 1 . . . . . 7 VAL H . 51376 1 10 . 1 . 1 7 7 VAL C C 13 176.240 0.000 . 1 . . . . . 7 VAL C . 51376 1 11 . 1 . 1 7 7 VAL CA C 13 62.364 0.000 . 1 . . . . . 7 VAL CA . 51376 1 12 . 1 . 1 7 7 VAL CB C 13 32.721 0.000 . 1 . . . . . 7 VAL CB . 51376 1 13 . 1 . 1 7 7 VAL N N 15 123.345 0.026 . 1 . . . . . 7 VAL N . 51376 1 14 . 1 . 1 8 8 MET H H 1 8.721 0.002 . 1 . . . . . 8 MET H . 51376 1 15 . 1 . 1 8 8 MET C C 13 176.380 0.000 . 1 . . . . . 8 MET C . 51376 1 16 . 1 . 1 8 8 MET CA C 13 55.112 0.000 . 1 . . . . . 8 MET CA . 51376 1 17 . 1 . 1 8 8 MET CB C 13 32.745 0.000 . 1 . . . . . 8 MET CB . 51376 1 18 . 1 . 1 8 8 MET N N 15 125.678 0.022 . 1 . . . . . 8 MET N . 51376 1 19 . 1 . 1 9 9 THR H H 1 8.373 0.003 . 1 . . . . . 9 THR H . 51376 1 20 . 1 . 1 9 9 THR C C 13 174.565 0.000 . 1 . . . . . 9 THR C . 51376 1 21 . 1 . 1 9 9 THR CA C 13 61.735 0.000 . 1 . . . . . 9 THR CA . 51376 1 22 . 1 . 1 9 9 THR CB C 13 69.816 0.000 . 1 . . . . . 9 THR CB . 51376 1 23 . 1 . 1 9 9 THR N N 15 116.451 0.063 . 1 . . . . . 9 THR N . 51376 1 24 . 1 . 1 10 10 THR H H 1 8.336 0.001 . 1 . . . . . 10 THR H . 51376 1 25 . 1 . 1 10 10 THR C C 13 174.435 0.000 . 1 . . . . . 10 THR C . 51376 1 26 . 1 . 1 10 10 THR CA C 13 61.892 0.000 . 1 . . . . . 10 THR CA . 51376 1 27 . 1 . 1 10 10 THR CB C 13 69.878 0.000 . 1 . . . . . 10 THR CB . 51376 1 28 . 1 . 1 10 10 THR N N 15 117.349 0.008 . 1 . . . . . 10 THR N . 51376 1 29 . 1 . 1 11 11 LYS H H 1 8.565 0.006 . 1 . . . . . 11 LYS H . 51376 1 30 . 1 . 1 11 11 LYS C C 13 176.641 0.000 . 1 . . . . . 11 LYS C . 51376 1 31 . 1 . 1 11 11 LYS CA C 13 56.321 0.000 . 1 . . . . . 11 LYS CA . 51376 1 32 . 1 . 1 11 11 LYS CB C 13 33.115 0.000 . 1 . . . . . 11 LYS CB . 51376 1 33 . 1 . 1 11 11 LYS N N 15 124.555 0.021 . 1 . . . . . 11 LYS N . 51376 1 34 . 1 . 1 12 12 THR H H 1 8.340 0.003 . 1 . . . . . 12 THR H . 51376 1 35 . 1 . 1 12 12 THR C C 13 174.125 0.000 . 1 . . . . . 12 THR C . 51376 1 36 . 1 . 1 12 12 THR CA C 13 61.963 0.000 . 1 . . . . . 12 THR CA . 51376 1 37 . 1 . 1 12 12 THR CB C 13 69.729 0.000 . 1 . . . . . 12 THR CB . 51376 1 38 . 1 . 1 12 12 THR N N 15 116.433 0.031 . 1 . . . . . 12 THR N . 51376 1 39 . 1 . 1 13 13 HIS H H 1 8.512 0.003 . 1 . . . . . 13 HIS H . 51376 1 40 . 1 . 1 13 13 HIS C C 13 174.966 0.000 . 1 . . . . . 13 HIS C . 51376 1 41 . 1 . 1 13 13 HIS CA C 13 56.475 0.000 . 1 . . . . . 13 HIS CA . 51376 1 42 . 1 . 1 13 13 HIS CB C 13 31.027 0.000 . 1 . . . . . 13 HIS CB . 51376 1 43 . 1 . 1 13 13 HIS N N 15 123.016 0.020 . 1 . . . . . 13 HIS N . 51376 1 44 . 1 . 1 14 14 VAL H H 1 8.162 0.003 . 1 . . . . . 14 VAL H . 51376 1 45 . 1 . 1 14 14 VAL C C 13 175.757 0.000 . 1 . . . . . 14 VAL C . 51376 1 46 . 1 . 1 14 14 VAL CA C 13 62.002 0.000 . 1 . . . . . 14 VAL CA . 51376 1 47 . 1 . 1 14 14 VAL CB C 13 32.968 0.000 . 1 . . . . . 14 VAL CB . 51376 1 48 . 1 . 1 14 14 VAL N N 15 123.424 0.023 . 1 . . . . . 14 VAL N . 51376 1 49 . 1 . 1 15 15 GLU H H 1 8.642 0.002 . 1 . . . . . 15 GLU H . 51376 1 50 . 1 . 1 15 15 GLU C C 13 176.171 0.000 . 1 . . . . . 15 GLU C . 51376 1 51 . 1 . 1 15 15 GLU CA C 13 56.333 0.000 . 1 . . . . . 15 GLU CA . 51376 1 52 . 1 . 1 15 15 GLU CB C 13 30.274 0.000 . 1 . . . . . 15 GLU CB . 51376 1 53 . 1 . 1 15 15 GLU N N 15 125.645 0.010 . 1 . . . . . 15 GLU N . 51376 1 54 . 1 . 1 16 16 GLN H H 1 8.643 0.002 . 1 . . . . . 16 GLN H . 51376 1 55 . 1 . 1 16 16 GLN C C 13 173.950 0.000 . 1 . . . . . 16 GLN C . 51376 1 56 . 1 . 1 16 16 GLN CA C 13 53.451 0.000 . 1 . . . . . 16 GLN CA . 51376 1 57 . 1 . 1 16 16 GLN CB C 13 28.912 0.000 . 1 . . . . . 16 GLN CB . 51376 1 58 . 1 . 1 16 16 GLN N N 15 123.206 0.004 . 1 . . . . . 16 GLN N . 51376 1 59 . 1 . 1 17 17 PRO C C 13 177.235 0.000 . 1 . . . . . 17 PRO C . 51376 1 60 . 1 . 1 17 17 PRO CA C 13 63.159 0.000 . 1 . . . . . 17 PRO CA . 51376 1 61 . 1 . 1 17 17 PRO CB C 13 32.126 0.000 . 1 . . . . . 17 PRO CB . 51376 1 62 . 1 . 1 18 18 GLU H H 1 8.832 0.001 . 1 . . . . . 18 GLU H . 51376 1 63 . 1 . 1 18 18 GLU C C 13 177.077 0.000 . 1 . . . . . 18 GLU C . 51376 1 64 . 1 . 1 18 18 GLU CA C 13 57.123 0.000 . 1 . . . . . 18 GLU CA . 51376 1 65 . 1 . 1 18 18 GLU CB C 13 30.008 0.000 . 1 . . . . . 18 GLU CB . 51376 1 66 . 1 . 1 18 18 GLU N N 15 121.927 0.009 . 1 . . . . . 18 GLU N . 51376 1 67 . 1 . 1 19 19 SER H H 1 8.534 0.002 . 1 . . . . . 19 SER H . 51376 1 68 . 1 . 1 19 19 SER C C 13 174.964 0.000 . 1 . . . . . 19 SER C . 51376 1 69 . 1 . 1 19 19 SER CA C 13 58.731 0.000 . 1 . . . . . 19 SER CA . 51376 1 70 . 1 . 1 19 19 SER CB C 13 63.643 0.000 . 1 . . . . . 19 SER CB . 51376 1 71 . 1 . 1 19 19 SER N N 15 116.883 0.012 . 1 . . . . . 19 SER N . 51376 1 72 . 1 . 1 20 20 SER H H 1 8.426 0.001 . 1 . . . . . 20 SER H . 51376 1 73 . 1 . 1 20 20 SER C C 13 174.507 0.000 . 1 . . . . . 20 SER C . 51376 1 74 . 1 . 1 20 20 SER CA C 13 58.710 0.000 . 1 . . . . . 20 SER CA . 51376 1 75 . 1 . 1 20 20 SER CB C 13 63.693 0.000 . 1 . . . . . 20 SER CB . 51376 1 76 . 1 . 1 20 20 SER N N 15 118.029 0.006 . 1 . . . . . 20 SER N . 51376 1 77 . 1 . 1 21 21 MET H H 1 8.330 0.000 . 1 . . . . . 21 MET H . 51376 1 78 . 1 . 1 21 21 MET C C 13 176.027 0.000 . 1 . . . . . 21 MET C . 51376 1 79 . 1 . 1 21 21 MET CA C 13 55.365 0.000 . 1 . . . . . 21 MET CA . 51376 1 80 . 1 . 1 21 21 MET CB C 13 32.548 0.000 . 1 . . . . . 21 MET CB . 51376 1 81 . 1 . 1 21 21 MET N N 15 121.972 0.000 . 1 . . . . . 21 MET N . 51376 1 82 . 1 . 1 22 22 ARG H H 1 8.373 0.003 . 1 . . . . . 22 ARG H . 51376 1 83 . 1 . 1 22 22 ARG C C 13 174.083 0.000 . 1 . . . . . 22 ARG C . 51376 1 84 . 1 . 1 22 22 ARG CA C 13 53.985 0.000 . 1 . . . . . 22 ARG CA . 51376 1 85 . 1 . 1 22 22 ARG CB C 13 30.078 0.000 . 1 . . . . . 22 ARG CB . 51376 1 86 . 1 . 1 22 22 ARG N N 15 123.873 0.023 . 1 . . . . . 22 ARG N . 51376 1 87 . 1 . 1 23 23 PRO C C 13 176.719 0.000 . 1 . . . . . 23 PRO C . 51376 1 88 . 1 . 1 23 23 PRO CA C 13 63.036 0.000 . 1 . . . . . 23 PRO CA . 51376 1 89 . 1 . 1 23 23 PRO CB C 13 32.121 0.000 . 1 . . . . . 23 PRO CB . 51376 1 90 . 1 . 1 24 24 GLN H H 1 8.664 0.003 . 1 . . . . . 24 GLN H . 51376 1 91 . 1 . 1 24 24 GLN C C 13 175.850 0.000 . 1 . . . . . 24 GLN C . 51376 1 92 . 1 . 1 24 24 GLN CA C 13 55.382 0.000 . 1 . . . . . 24 GLN CA . 51376 1 93 . 1 . 1 24 24 GLN CB C 13 29.647 0.000 . 1 . . . . . 24 GLN CB . 51376 1 94 . 1 . 1 24 24 GLN N N 15 121.523 0.017 . 1 . . . . . 24 GLN N . 51376 1 95 . 1 . 1 25 25 LEU H H 1 8.553 0.003 . 1 . . . . . 25 LEU H . 51376 1 96 . 1 . 1 25 25 LEU C C 13 175.369 0.000 . 1 . . . . . 25 LEU C . 51376 1 97 . 1 . 1 25 25 LEU CA C 13 53.018 0.000 . 1 . . . . . 25 LEU CA . 51376 1 98 . 1 . 1 25 25 LEU CB C 13 41.555 0.000 . 1 . . . . . 25 LEU CB . 51376 1 99 . 1 . 1 25 25 LEU N N 15 125.853 0.033 . 1 . . . . . 25 LEU N . 51376 1 100 . 1 . 1 26 26 PRO C C 13 177.103 0.000 . 1 . . . . . 26 PRO C . 51376 1 101 . 1 . 1 26 26 PRO CA C 13 63.220 0.000 . 1 . . . . . 26 PRO CA . 51376 1 102 . 1 . 1 26 26 PRO CB C 13 32.053 0.000 . 1 . . . . . 26 PRO CB . 51376 1 103 . 1 . 1 27 27 GLU H H 1 8.751 0.002 . 1 . . . . . 27 GLU H . 51376 1 104 . 1 . 1 27 27 GLU C C 13 176.792 0.000 . 1 . . . . . 27 GLU C . 51376 1 105 . 1 . 1 27 27 GLU CA C 13 56.943 0.000 . 1 . . . . . 27 GLU CA . 51376 1 106 . 1 . 1 27 27 GLU CB C 13 30.128 0.000 . 1 . . . . . 27 GLU CB . 51376 1 107 . 1 . 1 27 27 GLU N N 15 121.110 0.012 . 1 . . . . . 27 GLU N . 51376 1 108 . 1 . 1 28 28 SER H H 1 8.460 0.003 . 1 . . . . . 28 SER H . 51376 1 109 . 1 . 1 28 28 SER C C 13 174.689 0.000 . 1 . . . . . 28 SER C . 51376 1 110 . 1 . 1 28 28 SER CA C 13 58.324 0.000 . 1 . . . . . 28 SER CA . 51376 1 111 . 1 . 1 28 28 SER CB C 13 63.750 0.000 . 1 . . . . . 28 SER CB . 51376 1 112 . 1 . 1 28 28 SER N N 15 117.185 0.040 . 1 . . . . . 28 SER N . 51376 1 113 . 1 . 1 29 29 ILE H H 1 8.297 0.006 . 1 . . . . . 29 ILE H . 51376 1 114 . 1 . 1 29 29 ILE C C 13 176.606 0.000 . 1 . . . . . 29 ILE C . 51376 1 115 . 1 . 1 29 29 ILE CA C 13 61.352 0.000 . 1 . . . . . 29 ILE CA . 51376 1 116 . 1 . 1 29 29 ILE CB C 13 38.637 0.000 . 1 . . . . . 29 ILE CB . 51376 1 117 . 1 . 1 29 29 ILE N N 15 123.132 0.037 . 1 . . . . . 29 ILE N . 51376 1 118 . 1 . 1 30 30 GLN H H 1 8.596 0.003 . 1 . . . . . 30 GLN H . 51376 1 119 . 1 . 1 30 30 GLN C C 13 176.697 0.000 . 1 . . . . . 30 GLN C . 51376 1 120 . 1 . 1 30 30 GLN CA C 13 56.385 0.000 . 1 . . . . . 30 GLN CA . 51376 1 121 . 1 . 1 30 30 GLN CB C 13 29.272 0.000 . 1 . . . . . 30 GLN CB . 51376 1 122 . 1 . 1 30 30 GLN N N 15 124.710 0.026 . 1 . . . . . 30 GLN N . 51376 1 123 . 1 . 1 31 31 GLY H H 1 8.615 0.005 . 1 . . . . . 31 GLY H . 51376 1 124 . 1 . 1 31 31 GLY C C 13 174.245 0.000 . 1 . . . . . 31 GLY C . 51376 1 125 . 1 . 1 31 31 GLY CA C 13 45.359 0.000 . 1 . . . . . 31 GLY CA . 51376 1 126 . 1 . 1 31 31 GLY N N 15 110.875 0.051 . 1 . . . . . 31 GLY N . 51376 1 127 . 1 . 1 32 32 SER H H 1 8.342 0.005 . 1 . . . . . 32 SER H . 51376 1 128 . 1 . 1 32 32 SER C C 13 174.951 0.000 . 1 . . . . . 32 SER C . 51376 1 129 . 1 . 1 32 32 SER CA C 13 58.469 0.000 . 1 . . . . . 32 SER CA . 51376 1 130 . 1 . 1 32 32 SER CB C 13 63.938 0.000 . 1 . . . . . 32 SER CB . 51376 1 131 . 1 . 1 32 32 SER N N 15 115.869 0.019 . 1 . . . . . 32 SER N . 51376 1 132 . 1 . 1 33 33 LEU H H 1 8.471 0.005 . 1 . . . . . 33 LEU H . 51376 1 133 . 1 . 1 33 33 LEU C C 13 177.717 0.000 . 1 . . . . . 33 LEU C . 51376 1 134 . 1 . 1 33 33 LEU CA C 13 55.564 0.000 . 1 . . . . . 33 LEU CA . 51376 1 135 . 1 . 1 33 33 LEU CB C 13 42.009 0.000 . 1 . . . . . 33 LEU CB . 51376 1 136 . 1 . 1 33 33 LEU N N 15 123.964 0.047 . 1 . . . . . 33 LEU N . 51376 1 137 . 1 . 1 34 34 MET H H 1 8.317 0.004 . 1 . . . . . 34 MET H . 51376 1 138 . 1 . 1 34 34 MET C C 13 176.073 0.000 . 1 . . . . . 34 MET C . 51376 1 139 . 1 . 1 34 34 MET CA C 13 55.629 0.000 . 1 . . . . . 34 MET CA . 51376 1 140 . 1 . 1 34 34 MET CB C 13 32.663 0.000 . 1 . . . . . 34 MET CB . 51376 1 141 . 1 . 1 34 34 MET N N 15 120.182 0.035 . 1 . . . . . 34 MET N . 51376 1 142 . 1 . 1 35 35 ASP H H 1 8.304 0.003 . 1 . . . . . 35 ASP H . 51376 1 143 . 1 . 1 35 35 ASP C C 13 176.745 0.000 . 1 . . . . . 35 ASP C . 51376 1 144 . 1 . 1 35 35 ASP CA C 13 54.370 0.000 . 1 . . . . . 35 ASP CA . 51376 1 145 . 1 . 1 35 35 ASP CB C 13 41.201 0.000 . 1 . . . . . 35 ASP CB . 51376 1 146 . 1 . 1 35 35 ASP N N 15 121.922 0.019 . 1 . . . . . 35 ASP N . 51376 1 147 . 1 . 1 36 36 VAL H H 1 8.251 0.003 . 1 . . . . . 36 VAL H . 51376 1 148 . 1 . 1 36 36 VAL C C 13 177.217 0.000 . 1 . . . . . 36 VAL C . 51376 1 149 . 1 . 1 36 36 VAL CA C 13 63.264 0.000 . 1 . . . . . 36 VAL CA . 51376 1 150 . 1 . 1 36 36 VAL CB C 13 32.116 0.000 . 1 . . . . . 36 VAL CB . 51376 1 151 . 1 . 1 36 36 VAL N N 15 120.573 0.045 . 1 . . . . . 36 VAL N . 51376 1 152 . 1 . 1 37 37 GLY H H 1 8.597 0.009 . 1 . . . . . 37 GLY H . 51376 1 153 . 1 . 1 37 37 GLY C C 13 174.620 0.000 . 1 . . . . . 37 GLY C . 51376 1 154 . 1 . 1 37 37 GLY CA C 13 45.576 0.000 . 1 . . . . . 37 GLY CA . 51376 1 155 . 1 . 1 37 37 GLY N N 15 111.237 0.151 . 1 . . . . . 37 GLY N . 51376 1 156 . 1 . 1 38 38 MET H H 1 8.181 0.005 . 1 . . . . . 38 MET H . 51376 1 157 . 1 . 1 38 38 MET C C 13 176.423 0.000 . 1 . . . . . 38 MET C . 51376 1 158 . 1 . 1 38 38 MET CA C 13 55.773 0.000 . 1 . . . . . 38 MET CA . 51376 1 159 . 1 . 1 38 38 MET CB C 13 32.685 0.000 . 1 . . . . . 38 MET CB . 51376 1 160 . 1 . 1 38 38 MET N N 15 119.780 0.027 . 1 . . . . . 38 MET N . 51376 1 161 . 1 . 1 39 39 ARG C C 13 176.527 0.000 . 1 . . . . . 39 ARG C . 51376 1 162 . 1 . 1 39 39 ARG CA C 13 56.596 0.000 . 1 . . . . . 39 ARG CA . 51376 1 163 . 1 . 1 39 39 ARG CB C 13 30.665 0.000 . 1 . . . . . 39 ARG CB . 51376 1 164 . 1 . 1 40 40 VAL H H 1 8.295 0.114 . 1 . . . . . 40 VAL H . 51376 1 165 . 1 . 1 40 40 VAL C C 13 176.307 0.000 . 1 . . . . . 40 VAL C . 51376 1 166 . 1 . 1 40 40 VAL CA C 13 62.568 0.000 . 1 . . . . . 40 VAL CA . 51376 1 167 . 1 . 1 40 40 VAL CB C 13 32.600 0.000 . 1 . . . . . 40 VAL CB . 51376 1 168 . 1 . 1 40 40 VAL N N 15 119.859 4.145 . 1 . . . . . 40 VAL N . 51376 1 169 . 1 . 1 41 41 ARG H H 1 8.523 0.003 . 1 . . . . . 41 ARG H . 51376 1 170 . 1 . 1 41 41 ARG C C 13 176.353 0.000 . 1 . . . . . 41 ARG C . 51376 1 171 . 1 . 1 41 41 ARG CA C 13 56.235 0.000 . 1 . . . . . 41 ARG CA . 51376 1 172 . 1 . 1 41 41 ARG CB C 13 30.823 0.000 . 1 . . . . . 41 ARG CB . 51376 1 173 . 1 . 1 41 41 ARG N N 15 125.636 0.014 . 1 . . . . . 41 ARG N . 51376 1 174 . 1 . 1 42 42 LYS H H 1 8.667 0.000 . 1 . . . . . 42 LYS H . 51376 1 175 . 1 . 1 42 42 LYS CA C 13 56.484 0.000 . 1 . . . . . 42 LYS CA . 51376 1 176 . 1 . 1 42 42 LYS CB C 13 33.201 0.000 . 1 . . . . . 42 LYS CB . 51376 1 177 . 1 . 1 42 42 LYS N N 15 124.839 0.000 . 1 . . . . . 42 LYS N . 51376 1 178 . 1 . 1 43 43 SER H H 1 8.475 0.006 . 1 . . . . . 43 SER H . 51376 1 179 . 1 . 1 43 43 SER C C 13 174.608 0.000 . 1 . . . . . 43 SER C . 51376 1 180 . 1 . 1 43 43 SER CA C 13 58.246 0.000 . 1 . . . . . 43 SER CA . 51376 1 181 . 1 . 1 43 43 SER CB C 13 63.771 0.000 . 1 . . . . . 43 SER CB . 51376 1 182 . 1 . 1 43 43 SER N N 15 117.807 0.060 . 1 . . . . . 43 SER N . 51376 1 183 . 1 . 1 44 44 ILE H H 1 8.365 0.002 . 1 . . . . . 44 ILE H . 51376 1 184 . 1 . 1 44 44 ILE C C 13 176.551 0.000 . 1 . . . . . 44 ILE C . 51376 1 185 . 1 . 1 44 44 ILE CA C 13 61.331 0.000 . 1 . . . . . 44 ILE CA . 51376 1 186 . 1 . 1 44 44 ILE CB C 13 38.765 0.000 . 1 . . . . . 44 ILE CB . 51376 1 187 . 1 . 1 44 44 ILE N N 15 122.730 0.009 . 1 . . . . . 44 ILE N . 51376 1 188 . 1 . 1 45 45 SER H H 1 8.541 0.005 . 1 . . . . . 45 SER H . 51376 1 189 . 1 . 1 45 45 SER C C 13 175.080 0.000 . 1 . . . . . 45 SER C . 51376 1 190 . 1 . 1 45 45 SER CA C 13 58.364 0.000 . 1 . . . . . 45 SER CA . 51376 1 191 . 1 . 1 45 45 SER CB C 13 63.657 0.000 . 1 . . . . . 45 SER CB . 51376 1 192 . 1 . 1 45 45 SER N N 15 120.011 0.030 . 1 . . . . . 45 SER N . 51376 1 193 . 1 . 1 46 46 THR H H 1 8.350 0.002 . 1 . . . . . 46 THR H . 51376 1 194 . 1 . 1 46 46 THR C C 13 175.204 0.000 . 1 . . . . . 46 THR C . 51376 1 195 . 1 . 1 46 46 THR CA C 13 62.067 0.000 . 1 . . . . . 46 THR CA . 51376 1 196 . 1 . 1 46 46 THR CB C 13 69.747 0.000 . 1 . . . . . 46 THR CB . 51376 1 197 . 1 . 1 46 46 THR N N 15 116.036 0.010 . 1 . . . . . 46 THR N . 51376 1 198 . 1 . 1 47 47 GLY H H 1 8.445 0.013 . 1 . . . . . 47 GLY H . 51376 1 199 . 1 . 1 47 47 GLY C C 13 173.915 0.000 . 1 . . . . . 47 GLY C . 51376 1 200 . 1 . 1 47 47 GLY CA C 13 45.222 0.000 . 1 . . . . . 47 GLY CA . 51376 1 201 . 1 . 1 47 47 GLY N N 15 110.959 0.027 . 1 . . . . . 47 GLY N . 51376 1 202 . 1 . 1 48 48 TYR H H 1 8.185 0.006 . 1 . . . . . 48 TYR H . 51376 1 203 . 1 . 1 48 48 TYR C C 13 175.905 0.000 . 1 . . . . . 48 TYR C . 51376 1 204 . 1 . 1 48 48 TYR CA C 13 58.305 0.000 . 1 . . . . . 48 TYR CA . 51376 1 205 . 1 . 1 48 48 TYR CB C 13 38.857 0.000 . 1 . . . . . 48 TYR CB . 51376 1 206 . 1 . 1 48 48 TYR N N 15 120.791 0.018 . 1 . . . . . 48 TYR N . 51376 1 207 . 1 . 1 49 49 LYS H H 1 8.300 0.005 . 1 . . . . . 49 LYS H . 51376 1 208 . 1 . 1 49 49 LYS C C 13 176.122 0.000 . 1 . . . . . 49 LYS C . 51376 1 209 . 1 . 1 49 49 LYS CA C 13 56.125 0.000 . 1 . . . . . 49 LYS CA . 51376 1 210 . 1 . 1 49 49 LYS CB C 13 33.173 0.000 . 1 . . . . . 49 LYS CB . 51376 1 211 . 1 . 1 49 49 LYS N N 15 124.385 0.027 . 1 . . . . . 49 LYS N . 51376 1 212 . 1 . 1 50 50 SER H H 1 8.331 0.002 . 1 . . . . . 50 SER H . 51376 1 213 . 1 . 1 50 50 SER C C 13 174.717 0.000 . 1 . . . . . 50 SER C . 51376 1 214 . 1 . 1 50 50 SER CA C 13 58.405 0.000 . 1 . . . . . 50 SER CA . 51376 1 215 . 1 . 1 50 50 SER CB C 13 63.675 0.000 . 1 . . . . . 50 SER CB . 51376 1 216 . 1 . 1 50 50 SER N N 15 117.415 0.020 . 1 . . . . . 50 SER N . 51376 1 217 . 1 . 1 51 51 LYS H H 1 8.532 0.008 . 1 . . . . . 51 LYS H . 51376 1 218 . 1 . 1 51 51 LYS C C 13 176.567 0.000 . 1 . . . . . 51 LYS C . 51376 1 219 . 1 . 1 51 51 LYS CA C 13 56.451 0.000 . 1 . . . . . 51 LYS CA . 51376 1 220 . 1 . 1 51 51 LYS CB C 13 32.926 0.000 . 1 . . . . . 51 LYS CB . 51376 1 221 . 1 . 1 51 51 LYS N N 15 123.556 0.025 . 1 . . . . . 51 LYS N . 51376 1 222 . 1 . 1 52 52 GLN H H 1 8.511 0.004 . 1 . . . . . 52 GLN H . 51376 1 223 . 1 . 1 52 52 GLN C C 13 176.113 0.000 . 1 . . . . . 52 GLN C . 51376 1 224 . 1 . 1 52 52 GLN CA C 13 55.866 0.000 . 1 . . . . . 52 GLN CA . 51376 1 225 . 1 . 1 52 52 GLN CB C 13 29.514 0.000 . 1 . . . . . 52 GLN CB . 51376 1 226 . 1 . 1 52 52 GLN N N 15 122.070 0.035 . 1 . . . . . 52 GLN N . 51376 1 227 . 1 . 1 53 53 THR H H 1 8.398 0.004 . 1 . . . . . 53 THR H . 51376 1 228 . 1 . 1 53 53 THR C C 13 174.363 0.000 . 1 . . . . . 53 THR C . 51376 1 229 . 1 . 1 53 53 THR CA C 13 61.929 0.000 . 1 . . . . . 53 THR CA . 51376 1 230 . 1 . 1 53 53 THR CB C 13 69.735 0.000 . 1 . . . . . 53 THR CB . 51376 1 231 . 1 . 1 53 53 THR N N 15 116.315 0.030 . 1 . . . . . 53 THR N . 51376 1 232 . 1 . 1 54 54 THR H H 1 8.098 0.003 . 1 . . . . . 54 THR H . 51376 1 233 . 1 . 1 54 54 THR C C 13 173.587 0.000 . 1 . . . . . 54 THR C . 51376 1 234 . 1 . 1 54 54 THR CA C 13 61.570 0.000 . 1 . . . . . 54 THR CA . 51376 1 235 . 1 . 1 54 54 THR CB C 13 70.049 0.000 . 1 . . . . . 54 THR CB . 51376 1 236 . 1 . 1 54 54 THR N N 15 116.873 0.014 . 1 . . . . . 54 THR N . 51376 1 237 . 1 . 1 55 55 PHE H H 1 8.453 0.002 . 1 . . . . . 55 PHE H . 51376 1 238 . 1 . 1 55 55 PHE C C 13 173.726 0.000 . 1 . . . . . 55 PHE C . 51376 1 239 . 1 . 1 55 55 PHE CA C 13 55.810 0.000 . 1 . . . . . 55 PHE CA . 51376 1 240 . 1 . 1 55 55 PHE CB C 13 39.124 0.000 . 1 . . . . . 55 PHE CB . 51376 1 241 . 1 . 1 55 55 PHE N N 15 123.681 0.011 . 1 . . . . . 55 PHE N . 51376 1 242 . 1 . 1 56 56 PRO C C 13 176.362 0.000 . 1 . . . . . 56 PRO C . 51376 1 243 . 1 . 1 56 56 PRO CA C 13 63.034 0.000 . 1 . . . . . 56 PRO CA . 51376 1 244 . 1 . 1 56 56 PRO CB C 13 32.062 0.000 . 1 . . . . . 56 PRO CB . 51376 1 245 . 1 . 1 57 57 ALA H H 1 8.457 0.002 . 1 . . . . . 57 ALA H . 51376 1 246 . 1 . 1 57 57 ALA C C 13 177.267 0.000 . 1 . . . . . 57 ALA C . 51376 1 247 . 1 . 1 57 57 ALA CA C 13 52.360 0.000 . 1 . . . . . 57 ALA CA . 51376 1 248 . 1 . 1 57 57 ALA CB C 13 19.213 0.000 . 1 . . . . . 57 ALA CB . 51376 1 249 . 1 . 1 57 57 ALA N N 15 124.358 0.013 . 1 . . . . . 57 ALA N . 51376 1 250 . 1 . 1 58 58 TYR H H 1 8.289 0.004 . 1 . . . . . 58 TYR H . 51376 1 251 . 1 . 1 58 58 TYR C C 13 174.768 0.000 . 1 . . . . . 58 TYR C . 51376 1 252 . 1 . 1 58 58 TYR CA C 13 57.668 0.000 . 1 . . . . . 58 TYR CA . 51376 1 253 . 1 . 1 58 58 TYR CB C 13 38.929 0.000 . 1 . . . . . 58 TYR CB . 51376 1 254 . 1 . 1 58 58 TYR N N 15 120.340 0.014 . 1 . . . . . 58 TYR N . 51376 1 255 . 1 . 1 59 59 ASN H H 1 8.339 0.002 . 1 . . . . . 59 ASN H . 51376 1 256 . 1 . 1 59 59 ASN CA C 13 50.728 0.000 . 1 . . . . . 59 ASN CA . 51376 1 257 . 1 . 1 59 59 ASN CB C 13 39.293 0.000 . 1 . . . . . 59 ASN CB . 51376 1 258 . 1 . 1 59 59 ASN N N 15 124.221 0.026 . 1 . . . . . 59 ASN N . 51376 1 259 . 1 . 1 61 61 PRO C C 13 176.546 0.000 . 1 . . . . . 61 PRO C . 51376 1 260 . 1 . 1 61 61 PRO CA C 13 62.770 0.000 . 1 . . . . . 61 PRO CA . 51376 1 261 . 1 . 1 61 61 PRO CB C 13 31.875 0.000 . 1 . . . . . 61 PRO CB . 51376 1 262 . 1 . 1 62 62 LEU H H 1 8.322 0.003 . 1 . . . . . 62 LEU H . 51376 1 263 . 1 . 1 62 62 LEU C C 13 177.141 0.000 . 1 . . . . . 62 LEU C . 51376 1 264 . 1 . 1 62 62 LEU CA C 13 55.038 0.000 . 1 . . . . . 62 LEU CA . 51376 1 265 . 1 . 1 62 62 LEU CB C 13 42.382 0.000 . 1 . . . . . 62 LEU CB . 51376 1 266 . 1 . 1 62 62 LEU N N 15 121.970 0.012 . 1 . . . . . 62 LEU N . 51376 1 267 . 1 . 1 63 63 TYR H H 1 8.198 0.003 . 1 . . . . . 63 TYR H . 51376 1 268 . 1 . 1 63 63 TYR C C 13 175.424 0.000 . 1 . . . . . 63 TYR C . 51376 1 269 . 1 . 1 63 63 TYR CA C 13 57.432 0.000 . 1 . . . . . 63 TYR CA . 51376 1 270 . 1 . 1 63 63 TYR CB C 13 38.910 0.000 . 1 . . . . . 63 TYR CB . 51376 1 271 . 1 . 1 63 63 TYR N N 15 120.307 0.011 . 1 . . . . . 63 TYR N . 51376 1 272 . 1 . 1 64 64 ASN H H 1 8.489 0.002 . 1 . . . . . 64 ASN H . 51376 1 273 . 1 . 1 64 64 ASN C C 13 175.182 0.000 . 1 . . . . . 64 ASN C . 51376 1 274 . 1 . 1 64 64 ASN CA C 13 53.077 0.000 . 1 . . . . . 64 ASN CA . 51376 1 275 . 1 . 1 64 64 ASN CB C 13 38.994 0.000 . 1 . . . . . 64 ASN CB . 51376 1 276 . 1 . 1 64 64 ASN N N 15 120.636 0.015 . 1 . . . . . 64 ASN N . 51376 1 277 . 1 . 1 65 65 THR H H 1 8.217 0.002 . 1 . . . . . 65 THR H . 51376 1 278 . 1 . 1 65 65 THR C C 13 174.727 0.000 . 1 . . . . . 65 THR C . 51376 1 279 . 1 . 1 65 65 THR CA C 13 62.077 0.000 . 1 . . . . . 65 THR CA . 51376 1 280 . 1 . 1 65 65 THR CB C 13 69.906 0.000 . 1 . . . . . 65 THR CB . 51376 1 281 . 1 . 1 65 65 THR N N 15 114.824 0.011 . 1 . . . . . 65 THR N . 51376 1 282 . 1 . 1 66 66 VAL H H 1 8.324 0.001 . 1 . . . . . 66 VAL H . 51376 1 283 . 1 . 1 66 66 VAL C C 13 176.553 0.000 . 1 . . . . . 66 VAL C . 51376 1 284 . 1 . 1 66 66 VAL CA C 13 62.774 0.000 . 1 . . . . . 66 VAL CA . 51376 1 285 . 1 . 1 66 66 VAL CB C 13 32.636 0.000 . 1 . . . . . 66 VAL CB . 51376 1 286 . 1 . 1 66 66 VAL N N 15 122.592 0.017 . 1 . . . . . 66 VAL N . 51376 1 287 . 1 . 1 67 67 SER H H 1 8.478 0.002 . 1 . . . . . 67 SER H . 51376 1 288 . 1 . 1 67 67 SER C C 13 174.862 0.000 . 1 . . . . . 67 SER C . 51376 1 289 . 1 . 1 67 67 SER CA C 13 58.713 0.000 . 1 . . . . . 67 SER CA . 51376 1 290 . 1 . 1 67 67 SER CB C 13 63.635 0.000 . 1 . . . . . 67 SER CB . 51376 1 291 . 1 . 1 67 67 SER N N 15 119.395 0.020 . 1 . . . . . 67 SER N . 51376 1 292 . 1 . 1 68 68 GLU H H 1 8.532 0.002 . 1 . . . . . 68 GLU H . 51376 1 293 . 1 . 1 68 68 GLU C C 13 176.341 0.000 . 1 . . . . . 68 GLU C . 51376 1 294 . 1 . 1 68 68 GLU CA C 13 56.797 0.000 . 1 . . . . . 68 GLU CA . 51376 1 295 . 1 . 1 68 68 GLU CB C 13 30.268 0.000 . 1 . . . . . 68 GLU CB . 51376 1 296 . 1 . 1 68 68 GLU N N 15 123.216 0.006 . 1 . . . . . 68 GLU N . 51376 1 297 . 1 . 1 69 69 ASN H H 1 8.509 0.001 . 1 . . . . . 69 ASN H . 51376 1 298 . 1 . 1 69 69 ASN C C 13 175.736 0.000 . 1 . . . . . 69 ASN C . 51376 1 299 . 1 . 1 69 69 ASN CA C 13 53.501 0.000 . 1 . . . . . 69 ASN CA . 51376 1 300 . 1 . 1 69 69 ASN CB C 13 38.530 0.000 . 1 . . . . . 69 ASN CB . 51376 1 301 . 1 . 1 69 69 ASN N N 15 119.774 0.003 . 1 . . . . . 69 ASN N . 51376 1 302 . 1 . 1 70 70 ILE H H 1 8.199 0.002 . 1 . . . . . 70 ILE H . 51376 1 303 . 1 . 1 70 70 ILE C C 13 176.354 0.000 . 1 . . . . . 70 ILE C . 51376 1 304 . 1 . 1 70 70 ILE CA C 13 61.890 0.000 . 1 . . . . . 70 ILE CA . 51376 1 305 . 1 . 1 70 70 ILE CB C 13 38.510 0.000 . 1 . . . . . 70 ILE CB . 51376 1 306 . 1 . 1 70 70 ILE N N 15 122.188 0.011 . 1 . . . . . 70 ILE N . 51376 1 307 . 1 . 1 71 71 ALA H H 1 8.333 0.002 . 1 . . . . . 71 ALA H . 51376 1 308 . 1 . 1 71 71 ALA C C 13 178.168 0.000 . 1 . . . . . 71 ALA C . 51376 1 309 . 1 . 1 71 71 ALA CA C 13 52.920 0.000 . 1 . . . . . 71 ALA CA . 51376 1 310 . 1 . 1 71 71 ALA CB C 13 18.875 0.000 . 1 . . . . . 71 ALA CB . 51376 1 311 . 1 . 1 71 71 ALA N N 15 126.804 0.017 . 1 . . . . . 71 ALA N . 51376 1 312 . 1 . 1 72 72 LEU H H 1 8.109 0.002 . 1 . . . . . 72 LEU H . 51376 1 313 . 1 . 1 72 72 LEU C C 13 177.726 0.000 . 1 . . . . . 72 LEU C . 51376 1 314 . 1 . 1 72 72 LEU CA C 13 55.252 0.000 . 1 . . . . . 72 LEU CA . 51376 1 315 . 1 . 1 72 72 LEU CB C 13 42.140 0.000 . 1 . . . . . 72 LEU CB . 51376 1 316 . 1 . 1 72 72 LEU N N 15 120.720 0.019 . 1 . . . . . 72 LEU N . 51376 1 317 . 1 . 1 73 73 LYS H H 1 8.231 0.001 . 1 . . . . . 73 LYS H . 51376 1 318 . 1 . 1 73 73 LYS C C 13 176.462 0.000 . 1 . . . . . 73 LYS C . 51376 1 319 . 1 . 1 73 73 LYS CA C 13 56.561 0.000 . 1 . . . . . 73 LYS CA . 51376 1 320 . 1 . 1 73 73 LYS CB C 13 32.953 0.000 . 1 . . . . . 73 LYS CB . 51376 1 321 . 1 . 1 73 73 LYS N N 15 121.604 0.017 . 1 . . . . . 73 LYS N . 51376 1 322 . 1 . 1 74 74 ASN H H 1 8.504 0.000 . 1 . . . . . 74 ASN H . 51376 1 323 . 1 . 1 74 74 ASN C C 13 175.625 0.000 . 1 . . . . . 74 ASN C . 51376 1 324 . 1 . 1 74 74 ASN CA C 13 53.337 0.000 . 1 . . . . . 74 ASN CA . 51376 1 325 . 1 . 1 74 74 ASN CB C 13 38.739 0.000 . 1 . . . . . 74 ASN CB . 51376 1 326 . 1 . 1 74 74 ASN N N 15 119.783 0.004 . 1 . . . . . 74 ASN N . 51376 1 327 . 1 . 1 75 75 THR H H 1 8.193 0.002 . 1 . . . . . 75 THR H . 51376 1 328 . 1 . 1 75 75 THR C C 13 174.341 0.000 . 1 . . . . . 75 THR C . 51376 1 329 . 1 . 1 75 75 THR CA C 13 62.005 0.000 . 1 . . . . . 75 THR CA . 51376 1 330 . 1 . 1 75 75 THR CB C 13 69.854 0.000 . 1 . . . . . 75 THR CB . 51376 1 331 . 1 . 1 75 75 THR N N 15 114.672 0.007 . 1 . . . . . 75 THR N . 51376 1 332 . 1 . 1 76 76 ALA H H 1 8.324 0.001 . 1 . . . . . 76 ALA H . 51376 1 333 . 1 . 1 76 76 ALA C C 13 177.340 0.000 . 1 . . . . . 76 ALA C . 51376 1 334 . 1 . 1 76 76 ALA CA C 13 52.610 0.000 . 1 . . . . . 76 ALA CA . 51376 1 335 . 1 . 1 76 76 ALA CB C 13 19.163 0.000 . 1 . . . . . 76 ALA CB . 51376 1 336 . 1 . 1 76 76 ALA N N 15 126.031 0.011 . 1 . . . . . 76 ALA N . 51376 1 337 . 1 . 1 77 77 PHE H H 1 8.175 0.002 . 1 . . . . . 77 PHE H . 51376 1 338 . 1 . 1 77 77 PHE C C 13 175.444 0.000 . 1 . . . . . 77 PHE C . 51376 1 339 . 1 . 1 77 77 PHE CA C 13 57.600 0.000 . 1 . . . . . 77 PHE CA . 51376 1 340 . 1 . 1 77 77 PHE CB C 13 39.912 0.000 . 1 . . . . . 77 PHE CB . 51376 1 341 . 1 . 1 77 77 PHE N N 15 119.285 0.011 . 1 . . . . . 77 PHE N . 51376 1 342 . 1 . 1 78 78 SER H H 1 8.207 0.002 . 1 . . . . . 78 SER H . 51376 1 343 . 1 . 1 78 78 SER C C 13 173.476 0.000 . 1 . . . . . 78 SER C . 51376 1 344 . 1 . 1 78 78 SER CA C 13 57.735 0.000 . 1 . . . . . 78 SER CA . 51376 1 345 . 1 . 1 78 78 SER CB C 13 64.047 0.000 . 1 . . . . . 78 SER CB . 51376 1 346 . 1 . 1 78 78 SER N N 15 117.311 0.010 . 1 . . . . . 78 SER N . 51376 1 347 . 1 . 1 79 79 TYR C C 13 175.464 0.000 . 1 . . . . . 79 TYR C . 51376 1 348 . 1 . 1 79 79 TYR CA C 13 57.801 0.000 . 1 . . . . . 79 TYR CA . 51376 1 349 . 1 . 1 79 79 TYR CB C 13 39.148 0.000 . 1 . . . . . 79 TYR CB . 51376 1 350 . 1 . 1 80 80 GLU H H 1 8.432 0.002 . 1 . . . . . 80 GLU H . 51376 1 351 . 1 . 1 80 80 GLU C C 13 174.715 0.000 . 1 . . . . . 80 GLU C . 51376 1 352 . 1 . 1 80 80 GLU CA C 13 54.001 0.000 . 1 . . . . . 80 GLU CA . 51376 1 353 . 1 . 1 80 80 GLU CB C 13 29.899 0.000 . 1 . . . . . 80 GLU CB . 51376 1 354 . 1 . 1 80 80 GLU N N 15 124.545 0.015 . 1 . . . . . 80 GLU N . 51376 1 355 . 1 . 1 81 81 PRO C C 13 177.053 0.000 . 1 . . . . . 81 PRO C . 51376 1 356 . 1 . 1 81 81 PRO CA C 13 63.771 0.000 . 1 . . . . . 81 PRO CA . 51376 1 357 . 1 . 1 81 81 PRO CB C 13 31.917 0.000 . 1 . . . . . 81 PRO CB . 51376 1 358 . 1 . 1 82 82 ASN H H 1 8.614 0.003 . 1 . . . . . 82 ASN H . 51376 1 359 . 1 . 1 82 82 ASN C C 13 176.040 0.000 . 1 . . . . . 82 ASN C . 51376 1 360 . 1 . 1 82 82 ASN CA C 13 53.249 0.000 . 1 . . . . . 82 ASN CA . 51376 1 361 . 1 . 1 82 82 ASN CB C 13 38.493 0.000 . 1 . . . . . 82 ASN CB . 51376 1 362 . 1 . 1 82 82 ASN N N 15 117.624 0.021 . 1 . . . . . 82 ASN N . 51376 1 363 . 1 . 1 83 83 GLY H H 1 8.433 0.001 . 1 . . . . . 83 GLY H . 51376 1 364 . 1 . 1 83 83 GLY C C 13 174.456 0.000 . 1 . . . . . 83 GLY C . 51376 1 365 . 1 . 1 83 83 GLY CA C 13 45.444 0.000 . 1 . . . . . 83 GLY CA . 51376 1 366 . 1 . 1 83 83 GLY N N 15 109.326 0.011 . 1 . . . . . 83 GLY N . 51376 1 367 . 1 . 1 84 84 THR H H 1 8.118 0.001 . 1 . . . . . 84 THR H . 51376 1 368 . 1 . 1 84 84 THR C C 13 174.401 0.000 . 1 . . . . . 84 THR C . 51376 1 369 . 1 . 1 84 84 THR CA C 13 62.360 0.000 . 1 . . . . . 84 THR CA . 51376 1 370 . 1 . 1 84 84 THR CB C 13 69.925 0.000 . 1 . . . . . 84 THR CB . 51376 1 371 . 1 . 1 84 84 THR N N 15 114.609 0.011 . 1 . . . . . 84 THR N . 51376 1 372 . 1 . 1 85 85 LYS H H 1 8.523 0.002 . 1 . . . . . 85 LYS H . 51376 1 373 . 1 . 1 85 85 LYS C C 13 176.315 0.000 . 1 . . . . . 85 LYS C . 51376 1 374 . 1 . 1 85 85 LYS CA C 13 56.163 0.000 . 1 . . . . . 85 LYS CA . 51376 1 375 . 1 . 1 85 85 LYS CB C 13 33.043 0.000 . 1 . . . . . 85 LYS CB . 51376 1 376 . 1 . 1 85 85 LYS N N 15 124.526 0.017 . 1 . . . . . 85 LYS N . 51376 1 377 . 1 . 1 86 86 ARG H H 1 8.602 0.001 . 1 . . . . . 86 ARG H . 51376 1 378 . 1 . 1 86 86 ARG C C 13 174.365 0.000 . 1 . . . . . 86 ARG C . 51376 1 379 . 1 . 1 86 86 ARG CA C 13 53.932 0.000 . 1 . . . . . 86 ARG CA . 51376 1 380 . 1 . 1 86 86 ARG CB C 13 30.214 0.000 . 1 . . . . . 86 ARG CB . 51376 1 381 . 1 . 1 86 86 ARG N N 15 124.598 0.021 . 1 . . . . . 86 ARG N . 51376 1 382 . 1 . 1 88 88 PHE C C 13 175.689 0.000 . 1 . . . . . 88 PHE C . 51376 1 383 . 1 . 1 88 88 PHE CA C 13 57.947 0.000 . 1 . . . . . 88 PHE CA . 51376 1 384 . 1 . 1 88 88 PHE CB C 13 39.336 0.000 . 1 . . . . . 88 PHE CB . 51376 1 385 . 1 . 1 89 89 GLU H H 1 8.271 0.004 . 1 . . . . . 89 GLU H . 51376 1 386 . 1 . 1 89 89 GLU C C 13 175.724 0.000 . 1 . . . . . 89 GLU C . 51376 1 387 . 1 . 1 89 89 GLU CA C 13 55.967 0.000 . 1 . . . . . 89 GLU CA . 51376 1 388 . 1 . 1 89 89 GLU CB C 13 30.561 0.000 . 1 . . . . . 89 GLU CB . 51376 1 389 . 1 . 1 89 89 GLU N N 15 122.926 0.010 . 1 . . . . . 89 GLU N . 51376 1 390 . 1 . 1 90 90 GLN H H 1 8.313 0.002 . 1 . . . . . 90 GLN H . 51376 1 391 . 1 . 1 90 90 GLN C C 13 175.406 0.000 . 1 . . . . . 90 GLN C . 51376 1 392 . 1 . 1 90 90 GLN CA C 13 55.588 0.000 . 1 . . . . . 90 GLN CA . 51376 1 393 . 1 . 1 90 90 GLN CB C 13 29.668 0.000 . 1 . . . . . 90 GLN CB . 51376 1 394 . 1 . 1 90 90 GLN N N 15 121.594 0.012 . 1 . . . . . 90 GLN N . 51376 1 395 . 1 . 1 91 91 ALA H H 1 8.449 0.002 . 1 . . . . . 91 ALA H . 51376 1 396 . 1 . 1 91 91 ALA C C 13 177.463 0.000 . 1 . . . . . 91 ALA C . 51376 1 397 . 1 . 1 91 91 ALA CA C 13 52.422 0.000 . 1 . . . . . 91 ALA CA . 51376 1 398 . 1 . 1 91 91 ALA CB C 13 19.167 0.000 . 1 . . . . . 91 ALA CB . 51376 1 399 . 1 . 1 91 91 ALA N N 15 125.986 0.012 . 1 . . . . . 91 ALA N . 51376 1 400 . 1 . 1 92 92 ILE H H 1 8.310 0.003 . 1 . . . . . 92 ILE H . 51376 1 401 . 1 . 1 92 92 ILE C C 13 174.658 0.000 . 1 . . . . . 92 ILE C . 51376 1 402 . 1 . 1 92 92 ILE CA C 13 58.625 0.000 . 1 . . . . . 92 ILE CA . 51376 1 403 . 1 . 1 92 92 ILE CB C 13 38.655 0.000 . 1 . . . . . 92 ILE CB . 51376 1 404 . 1 . 1 92 92 ILE N N 15 122.365 0.016 . 1 . . . . . 92 ILE N . 51376 1 405 . 1 . 1 93 93 PRO C C 13 176.235 0.000 . 1 . . . . . 93 PRO C . 51376 1 406 . 1 . 1 93 93 PRO CA C 13 63.198 0.000 . 1 . . . . . 93 PRO CA . 51376 1 407 . 1 . 1 93 93 PRO CB C 13 32.067 0.000 . 1 . . . . . 93 PRO CB . 51376 1 408 . 1 . 1 94 94 ASN H H 1 8.488 0.003 . 1 . . . . . 94 ASN H . 51376 1 409 . 1 . 1 94 94 ASN C C 13 174.895 0.000 . 1 . . . . . 94 ASN C . 51376 1 410 . 1 . 1 94 94 ASN CA C 13 52.993 0.000 . 1 . . . . . 94 ASN CA . 51376 1 411 . 1 . 1 94 94 ASN CB C 13 38.626 0.000 . 1 . . . . . 94 ASN CB . 51376 1 412 . 1 . 1 94 94 ASN N N 15 118.713 0.015 . 1 . . . . . 94 ASN N . 51376 1 413 . 1 . 1 95 95 TYR H H 1 8.124 0.003 . 1 . . . . . 95 TYR H . 51376 1 414 . 1 . 1 95 95 TYR C C 13 175.329 0.000 . 1 . . . . . 95 TYR C . 51376 1 415 . 1 . 1 95 95 TYR CA C 13 58.110 0.000 . 1 . . . . . 95 TYR CA . 51376 1 416 . 1 . 1 95 95 TYR CB C 13 38.713 0.000 . 1 . . . . . 95 TYR CB . 51376 1 417 . 1 . 1 95 95 TYR N N 15 121.388 0.017 . 1 . . . . . 95 TYR N . 51376 1 418 . 1 . 1 96 96 ASN H H 1 8.278 0.001 . 1 . . . . . 96 ASN H . 51376 1 419 . 1 . 1 96 96 ASN C C 13 174.756 0.000 . 1 . . . . . 96 ASN C . 51376 1 420 . 1 . 1 96 96 ASN CA C 13 52.754 0.000 . 1 . . . . . 96 ASN CA . 51376 1 421 . 1 . 1 96 96 ASN CB C 13 38.508 0.000 . 1 . . . . . 96 ASN CB . 51376 1 422 . 1 . 1 96 96 ASN N N 15 121.190 0.010 . 1 . . . . . 96 ASN N . 51376 1 423 . 1 . 1 97 97 TRP H H 1 7.926 0.001 . 1 . . . . . 97 TRP H . 51376 1 424 . 1 . 1 97 97 TRP C C 13 176.087 0.000 . 1 . . . . . 97 TRP C . 51376 1 425 . 1 . 1 97 97 TRP CA C 13 57.619 0.000 . 1 . . . . . 97 TRP CA . 51376 1 426 . 1 . 1 97 97 TRP CB C 13 29.312 0.000 . 1 . . . . . 97 TRP CB . 51376 1 427 . 1 . 1 97 97 TRP N N 15 121.955 0.010 . 1 . . . . . 97 TRP N . 51376 1 428 . 1 . 1 98 98 ALA H H 1 7.971 0.002 . 1 . . . . . 98 ALA H . 51376 1 429 . 1 . 1 98 98 ALA C C 13 177.009 0.000 . 1 . . . . . 98 ALA C . 51376 1 430 . 1 . 1 98 98 ALA CA C 13 52.537 0.000 . 1 . . . . . 98 ALA CA . 51376 1 431 . 1 . 1 98 98 ALA CB C 13 19.130 0.000 . 1 . . . . . 98 ALA CB . 51376 1 432 . 1 . 1 98 98 ALA N N 15 123.863 0.026 . 1 . . . . . 98 ALA N . 51376 1 433 . 1 . 1 99 99 ASN H H 1 7.997 0.003 . 1 . . . . . 99 ASN H . 51376 1 434 . 1 . 1 99 99 ASN C C 13 171.942 0.000 . 1 . . . . . 99 ASN C . 51376 1 435 . 1 . 1 99 99 ASN CA C 13 51.262 0.000 . 1 . . . . . 99 ASN CA . 51376 1 436 . 1 . 1 99 99 ASN CB C 13 38.732 0.000 . 1 . . . . . 99 ASN CB . 51376 1 437 . 1 . 1 99 99 ASN N N 15 117.742 0.016 . 1 . . . . . 99 ASN N . 51376 1 438 . 1 . 1 101 101 PRO C C 13 176.914 0.000 . 1 . . . . . 101 PRO C . 51376 1 439 . 1 . 1 101 101 PRO CA C 13 62.861 0.000 . 1 . . . . . 101 PRO CA . 51376 1 440 . 1 . 1 101 101 PRO CB C 13 32.012 0.000 . 1 . . . . . 101 PRO CB . 51376 1 441 . 1 . 1 102 102 GLN H H 1 8.591 0.001 . 1 . . . . . 102 GLN H . 51376 1 442 . 1 . 1 102 102 GLN C C 13 175.597 0.000 . 1 . . . . . 102 GLN C . 51376 1 443 . 1 . 1 102 102 GLN CA C 13 55.683 0.000 . 1 . . . . . 102 GLN CA . 51376 1 444 . 1 . 1 102 102 GLN CB C 13 29.766 0.000 . 1 . . . . . 102 GLN CB . 51376 1 445 . 1 . 1 102 102 GLN N N 15 120.829 0.012 . 1 . . . . . 102 GLN N . 51376 1 446 . 1 . 1 103 103 ASP H H 1 8.447 0.002 . 1 . . . . . 103 ASP H . 51376 1 447 . 1 . 1 103 103 ASP C C 13 175.741 0.000 . 1 . . . . . 103 ASP C . 51376 1 448 . 1 . 1 103 103 ASP CA C 13 54.311 0.000 . 1 . . . . . 103 ASP CA . 51376 1 449 . 1 . 1 103 103 ASP CB C 13 40.944 0.000 . 1 . . . . . 103 ASP CB . 51376 1 450 . 1 . 1 103 103 ASP N N 15 121.420 0.019 . 1 . . . . . 103 ASP N . 51376 1 451 . 1 . 1 104 104 PHE H H 1 8.178 0.002 . 1 . . . . . 104 PHE H . 51376 1 452 . 1 . 1 104 104 PHE C C 13 175.306 0.000 . 1 . . . . . 104 PHE C . 51376 1 453 . 1 . 1 104 104 PHE CA C 13 57.782 0.000 . 1 . . . . . 104 PHE CA . 51376 1 454 . 1 . 1 104 104 PHE CB C 13 39.638 0.000 . 1 . . . . . 104 PHE CB . 51376 1 455 . 1 . 1 104 104 PHE N N 15 120.225 0.015 . 1 . . . . . 104 PHE N . 51376 1 456 . 1 . 1 105 105 GLU H H 1 8.262 0.001 . 1 . . . . . 105 GLU H . 51376 1 457 . 1 . 1 105 105 GLU C C 13 175.591 0.000 . 1 . . . . . 105 GLU C . 51376 1 458 . 1 . 1 105 105 GLU CA C 13 55.739 0.000 . 1 . . . . . 105 GLU CA . 51376 1 459 . 1 . 1 105 105 GLU CB C 13 30.728 0.000 . 1 . . . . . 105 GLU CB . 51376 1 460 . 1 . 1 105 105 GLU N N 15 123.290 0.014 . 1 . . . . . 105 GLU N . 51376 1 461 . 1 . 1 106 106 GLU H H 1 8.413 0.002 . 1 . . . . . 106 GLU H . 51376 1 462 . 1 . 1 106 106 GLU C C 13 174.565 0.000 . 1 . . . . . 106 GLU C . 51376 1 463 . 1 . 1 106 106 GLU CA C 13 54.376 0.000 . 1 . . . . . 106 GLU CA . 51376 1 464 . 1 . 1 106 106 GLU CB C 13 29.739 0.000 . 1 . . . . . 106 GLU CB . 51376 1 465 . 1 . 1 106 106 GLU N N 15 124.170 0.018 . 1 . . . . . 106 GLU N . 51376 1 466 . 1 . 1 107 107 PRO C C 13 177.104 0.000 . 1 . . . . . 107 PRO C . 51376 1 467 . 1 . 1 107 107 PRO CA C 13 63.001 0.000 . 1 . . . . . 107 PRO CA . 51376 1 468 . 1 . 1 107 107 PRO CB C 13 31.913 0.000 . 1 . . . . . 107 PRO CB . 51376 1 469 . 1 . 1 108 108 GLU H H 1 8.637 0.001 . 1 . . . . . 108 GLU H . 51376 1 470 . 1 . 1 108 108 GLU C C 13 176.468 0.000 . 1 . . . . . 108 GLU C . 51376 1 471 . 1 . 1 108 108 GLU CA C 13 57.121 0.000 . 1 . . . . . 108 GLU CA . 51376 1 472 . 1 . 1 108 108 GLU CB C 13 30.058 0.000 . 1 . . . . . 108 GLU CB . 51376 1 473 . 1 . 1 108 108 GLU N N 15 121.249 0.012 . 1 . . . . . 108 GLU N . 51376 1 474 . 1 . 1 109 109 TRP H H 1 7.993 0.004 . 1 . . . . . 109 TRP H . 51376 1 475 . 1 . 1 109 109 TRP C C 13 175.873 0.000 . 1 . . . . . 109 TRP C . 51376 1 476 . 1 . 1 109 109 TRP CA C 13 57.147 0.000 . 1 . . . . . 109 TRP CA . 51376 1 477 . 1 . 1 109 109 TRP CB C 13 29.225 0.000 . 1 . . . . . 109 TRP CB . 51376 1 478 . 1 . 1 109 109 TRP N N 15 120.947 0.037 . 1 . . . . . 109 TRP N . 51376 1 479 . 1 . 1 110 110 LEU H H 1 7.850 0.002 . 1 . . . . . 110 LEU H . 51376 1 480 . 1 . 1 110 110 LEU C C 13 176.320 0.000 . 1 . . . . . 110 LEU C . 51376 1 481 . 1 . 1 110 110 LEU CA C 13 54.552 0.000 . 1 . . . . . 110 LEU CA . 51376 1 482 . 1 . 1 110 110 LEU CB C 13 42.433 0.000 . 1 . . . . . 110 LEU CB . 51376 1 483 . 1 . 1 110 110 LEU N N 15 124.192 0.045 . 1 . . . . . 110 LEU N . 51376 1 484 . 1 . 1 111 111 LYS H H 1 8.052 0.001 . 1 . . . . . 111 LYS H . 51376 1 485 . 1 . 1 111 111 LYS C C 13 174.512 0.000 . 1 . . . . . 111 LYS C . 51376 1 486 . 1 . 1 111 111 LYS CA C 13 54.382 0.000 . 1 . . . . . 111 LYS CA . 51376 1 487 . 1 . 1 111 111 LYS CB C 13 32.361 0.000 . 1 . . . . . 111 LYS CB . 51376 1 488 . 1 . 1 111 111 LYS N N 15 124.046 0.027 . 1 . . . . . 111 LYS N . 51376 1 489 . 1 . 1 112 112 PRO C C 13 176.716 0.000 . 1 . . . . . 112 PRO C . 51376 1 490 . 1 . 1 112 112 PRO CA C 13 63.097 0.000 . 1 . . . . . 112 PRO CA . 51376 1 491 . 1 . 1 112 112 PRO CB C 13 32.024 0.000 . 1 . . . . . 112 PRO CB . 51376 1 492 . 1 . 1 113 113 PHE H H 1 8.305 0.003 . 1 . . . . . 113 PHE H . 51376 1 493 . 1 . 1 113 113 PHE C C 13 175.452 0.000 . 1 . . . . . 113 PHE C . 51376 1 494 . 1 . 1 113 113 PHE CA C 13 57.630 0.000 . 1 . . . . . 113 PHE CA . 51376 1 495 . 1 . 1 113 113 PHE CB C 13 39.477 0.000 . 1 . . . . . 113 PHE CB . 51376 1 496 . 1 . 1 113 113 PHE N N 15 120.476 0.031 . 1 . . . . . 113 PHE N . 51376 1 497 . 1 . 1 114 114 ASP H H 1 8.339 0.003 . 1 . . . . . 114 ASP H . 51376 1 498 . 1 . 1 114 114 ASP C C 13 175.679 0.000 . 1 . . . . . 114 ASP C . 51376 1 499 . 1 . 1 114 114 ASP CA C 13 54.083 0.000 . 1 . . . . . 114 ASP CA . 51376 1 500 . 1 . 1 114 114 ASP CB C 13 41.296 0.000 . 1 . . . . . 114 ASP CB . 51376 1 501 . 1 . 1 114 114 ASP N N 15 122.408 0.011 . 1 . . . . . 114 ASP N . 51376 1 502 . 1 . 1 115 115 VAL H H 1 8.127 0.002 . 1 . . . . . 115 VAL H . 51376 1 503 . 1 . 1 115 115 VAL C C 13 176.138 0.000 . 1 . . . . . 115 VAL C . 51376 1 504 . 1 . 1 115 115 VAL CA C 13 62.418 0.000 . 1 . . . . . 115 VAL CA . 51376 1 505 . 1 . 1 115 115 VAL CB C 13 32.835 0.000 . 1 . . . . . 115 VAL CB . 51376 1 506 . 1 . 1 115 115 VAL N N 15 121.233 0.029 . 1 . . . . . 115 VAL N . 51376 1 507 . 1 . 1 116 116 VAL H H 1 8.402 0.002 . 1 . . . . . 116 VAL H . 51376 1 508 . 1 . 1 116 116 VAL C C 13 176.326 0.000 . 1 . . . . . 116 VAL C . 51376 1 509 . 1 . 1 116 116 VAL CA C 13 62.571 0.000 . 1 . . . . . 116 VAL CA . 51376 1 510 . 1 . 1 116 116 VAL CB C 13 32.590 0.000 . 1 . . . . . 116 VAL CB . 51376 1 511 . 1 . 1 116 116 VAL N N 15 125.560 0.017 . 1 . . . . . 116 VAL N . 51376 1 512 . 1 . 1 117 117 MET H H 1 8.603 0.002 . 1 . . . . . 117 MET H . 51376 1 513 . 1 . 1 117 117 MET C C 13 176.253 0.000 . 1 . . . . . 117 MET C . 51376 1 514 . 1 . 1 117 117 MET CA C 13 55.095 0.000 . 1 . . . . . 117 MET CA . 51376 1 515 . 1 . 1 117 117 MET CB C 13 32.767 0.000 . 1 . . . . . 117 MET CB . 51376 1 516 . 1 . 1 117 117 MET N N 15 125.311 0.019 . 1 . . . . . 117 MET N . 51376 1 517 . 1 . 1 118 118 GLU H H 1 8.611 0.002 . 1 . . . . . 118 GLU H . 51376 1 518 . 1 . 1 118 118 GLU C C 13 177.017 0.000 . 1 . . . . . 118 GLU C . 51376 1 519 . 1 . 1 118 118 GLU CA C 13 56.815 0.000 . 1 . . . . . 118 GLU CA . 51376 1 520 . 1 . 1 118 118 GLU CB C 13 30.371 0.000 . 1 . . . . . 118 GLU CB . 51376 1 521 . 1 . 1 118 118 GLU N N 15 123.383 0.011 . 1 . . . . . 118 GLU N . 51376 1 522 . 1 . 1 119 119 GLY H H 1 8.655 0.001 . 1 . . . . . 119 GLY H . 51376 1 523 . 1 . 1 119 119 GLY C C 13 174.447 0.000 . 1 . . . . . 119 GLY C . 51376 1 524 . 1 . 1 119 119 GLY CA C 13 45.336 0.000 . 1 . . . . . 119 GLY CA . 51376 1 525 . 1 . 1 119 119 GLY N N 15 110.839 0.006 . 1 . . . . . 119 GLY N . 51376 1 526 . 1 . 1 120 120 THR H H 1 8.216 0.001 . 1 . . . . . 120 THR H . 51376 1 527 . 1 . 1 120 120 THR C C 13 174.534 0.000 . 1 . . . . . 120 THR C . 51376 1 528 . 1 . 1 120 120 THR CA C 13 61.935 0.000 . 1 . . . . . 120 THR CA . 51376 1 529 . 1 . 1 120 120 THR CB C 13 69.803 0.000 . 1 . . . . . 120 THR CB . 51376 1 530 . 1 . 1 120 120 THR N N 15 113.638 0.004 . 1 . . . . . 120 THR N . 51376 1 531 . 1 . 1 121 121 ASN H H 1 8.671 0.001 . 1 . . . . . 121 ASN H . 51376 1 532 . 1 . 1 121 121 ASN C C 13 175.142 0.000 . 1 . . . . . 121 ASN C . 51376 1 533 . 1 . 1 121 121 ASN CA C 13 53.354 0.000 . 1 . . . . . 121 ASN CA . 51376 1 534 . 1 . 1 121 121 ASN CB C 13 38.857 0.000 . 1 . . . . . 121 ASN CB . 51376 1 535 . 1 . 1 121 121 ASN N N 15 121.099 0.002 . 1 . . . . . 121 ASN N . 51376 1 536 . 1 . 1 122 122 GLU H H 1 8.495 0.001 . 1 . . . . . 122 GLU H . 51376 1 537 . 1 . 1 122 122 GLU C C 13 176.117 0.000 . 1 . . . . . 122 GLU C . 51376 1 538 . 1 . 1 122 122 GLU CA C 13 56.719 0.000 . 1 . . . . . 122 GLU CA . 51376 1 539 . 1 . 1 122 122 GLU CB C 13 30.304 0.000 . 1 . . . . . 122 GLU CB . 51376 1 540 . 1 . 1 122 122 GLU N N 15 121.626 0.002 . 1 . . . . . 122 GLU N . 51376 1 541 . 1 . 1 123 123 ARG H H 1 8.450 0.001 . 1 . . . . . 123 ARG H . 51376 1 542 . 1 . 1 123 123 ARG C C 13 175.310 0.000 . 1 . . . . . 123 ARG C . 51376 1 543 . 1 . 1 123 123 ARG CA C 13 55.881 0.000 . 1 . . . . . 123 ARG CA . 51376 1 544 . 1 . 1 123 123 ARG CB C 13 30.600 0.000 . 1 . . . . . 123 ARG CB . 51376 1 545 . 1 . 1 123 123 ARG N N 15 122.910 0.008 . 1 . . . . . 123 ARG N . 51376 1 546 . 1 . 1 124 124 LEU H H 1 8.062 0.001 . 1 . . . . . 124 LEU H . 51376 1 547 . 1 . 1 124 124 LEU C C 13 172.696 0.000 . 1 . . . . . 124 LEU C . 51376 1 548 . 1 . 1 124 124 LEU CA C 13 56.645 0.000 . 1 . . . . . 124 LEU CA . 51376 1 549 . 1 . 1 124 124 LEU CB C 13 43.168 0.000 . 1 . . . . . 124 LEU CB . 51376 1 550 . 1 . 1 124 124 LEU N N 15 130.006 0.009 . 1 . . . . . 124 LEU N . 51376 1 stop_ save_