data_26922 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26922 _Entry.Title ; First RRM domain of MEC-8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-10-24 _Entry.Accession_date 2016-10-24 _Entry.Last_release_date 2016-10-24 _Entry.Original_release_date 2016-10-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Heddy Soufari . . . . 26922 2 Cameron Mackereth . . . . 26922 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26922 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 26922 '15N chemical shifts' 100 26922 '1H chemical shifts' 180 26922 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 . . 2017-04-26 . original BMRB . 26922 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP G5ECJ4 'C. elegans MEC-8' 26922 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26922 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28003515 _Citation.Full_citation . _Citation.Title ; Conserved binding of GCAC motifs by MEC-8, couch potato and the RBPMS protein family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 308 _Citation.Page_last 316 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Heddy Soufari . . . . 26922 1 2 Cameron Mackereth . D. . . 26922 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26922 _Assembly.ID 1 _Assembly.Name 'First RRM domain of MEC-8' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MEC-8 RRM1, chain 1' 1 $MEC-8_RRM1 A . yes native no no . . . 26922 1 2 'MEC-8 RRM1, chain 2' 1 $MEC-8_RRM1 B . yes native no no . . . 26922 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 1 'Slow exchange' 26922 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MEC-8_RRM1 _Entity.Sf_category entity _Entity.Sf_framecode MEC-8_RRM1 _Entity.Entry_ID 26922 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MEC-8_RRM1 _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 ; GAMASQVRTLFVSGLPMDAK PRELYLLFRGARGYEGALLK MTSKNGKPTSPVGFVTFLSQ QDAQDARKMLQGVRFDPEAA QVLRLELAKSNTKVARPKQS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GAMA- at N-terminus remaining after TEV cleavage' _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C54A,C102A _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP G5ECJ4 . 'Mec-8 protein' . . . . . . . . . . . . . . 26922 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Alternative splicing' 26922 1 stop_ 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 24 GLY . 26922 1 2 25 ALA . 26922 1 3 26 MET . 26922 1 4 27 ALA . 26922 1 5 28 SER . 26922 1 6 29 GLN . 26922 1 7 30 VAL . 26922 1 8 31 ARG . 26922 1 9 32 THR . 26922 1 10 33 LEU . 26922 1 11 34 PHE . 26922 1 12 35 VAL . 26922 1 13 36 SER . 26922 1 14 37 GLY . 26922 1 15 38 LEU . 26922 1 16 39 PRO . 26922 1 17 40 MET . 26922 1 18 41 ASP . 26922 1 19 42 ALA . 26922 1 20 43 LYS . 26922 1 21 44 PRO . 26922 1 22 45 ARG . 26922 1 23 46 GLU . 26922 1 24 47 LEU . 26922 1 25 48 TYR . 26922 1 26 49 LEU . 26922 1 27 50 LEU . 26922 1 28 51 PHE . 26922 1 29 52 ARG . 26922 1 30 53 GLY . 26922 1 31 54 ALA . 26922 1 32 55 ARG . 26922 1 33 56 GLY . 26922 1 34 57 TYR . 26922 1 35 58 GLU . 26922 1 36 59 GLY . 26922 1 37 60 ALA . 26922 1 38 61 LEU . 26922 1 39 62 LEU . 26922 1 40 63 LYS . 26922 1 41 64 MET . 26922 1 42 65 THR . 26922 1 43 66 SER . 26922 1 44 67 LYS . 26922 1 45 68 ASN . 26922 1 46 69 GLY . 26922 1 47 70 LYS . 26922 1 48 71 PRO . 26922 1 49 72 THR . 26922 1 50 73 SER . 26922 1 51 74 PRO . 26922 1 52 75 VAL . 26922 1 53 76 GLY . 26922 1 54 77 PHE . 26922 1 55 78 VAL . 26922 1 56 79 THR . 26922 1 57 80 PHE . 26922 1 58 81 LEU . 26922 1 59 82 SER . 26922 1 60 83 GLN . 26922 1 61 84 GLN . 26922 1 62 85 ASP . 26922 1 63 86 ALA . 26922 1 64 87 GLN . 26922 1 65 88 ASP . 26922 1 66 89 ALA . 26922 1 67 90 ARG . 26922 1 68 91 LYS . 26922 1 69 92 MET . 26922 1 70 93 LEU . 26922 1 71 94 GLN . 26922 1 72 95 GLY . 26922 1 73 96 VAL . 26922 1 74 97 ARG . 26922 1 75 98 PHE . 26922 1 76 99 ASP . 26922 1 77 100 PRO . 26922 1 78 101 GLU . 26922 1 79 102 ALA . 26922 1 80 103 ALA . 26922 1 81 104 GLN . 26922 1 82 105 VAL . 26922 1 83 106 LEU . 26922 1 84 107 ARG . 26922 1 85 108 LEU . 26922 1 86 109 GLU . 26922 1 87 110 LEU . 26922 1 88 111 ALA . 26922 1 89 112 LYS . 26922 1 90 113 SER . 26922 1 91 114 ASN . 26922 1 92 115 THR . 26922 1 93 116 LYS . 26922 1 94 117 VAL . 26922 1 95 118 ALA . 26922 1 96 119 ARG . 26922 1 97 120 PRO . 26922 1 98 121 LYS . 26922 1 99 122 GLN . 26922 1 100 123 SER . 26922 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 26922 1 . ALA 2 2 26922 1 . MET 3 3 26922 1 . ALA 4 4 26922 1 . SER 5 5 26922 1 . GLN 6 6 26922 1 . VAL 7 7 26922 1 . ARG 8 8 26922 1 . THR 9 9 26922 1 . LEU 10 10 26922 1 . PHE 11 11 26922 1 . VAL 12 12 26922 1 . SER 13 13 26922 1 . GLY 14 14 26922 1 . LEU 15 15 26922 1 . PRO 16 16 26922 1 . MET 17 17 26922 1 . ASP 18 18 26922 1 . ALA 19 19 26922 1 . LYS 20 20 26922 1 . PRO 21 21 26922 1 . ARG 22 22 26922 1 . GLU 23 23 26922 1 . LEU 24 24 26922 1 . TYR 25 25 26922 1 . LEU 26 26 26922 1 . LEU 27 27 26922 1 . PHE 28 28 26922 1 . ARG 29 29 26922 1 . GLY 30 30 26922 1 . ALA 31 31 26922 1 . ARG 32 32 26922 1 . GLY 33 33 26922 1 . TYR 34 34 26922 1 . GLU 35 35 26922 1 . GLY 36 36 26922 1 . ALA 37 37 26922 1 . LEU 38 38 26922 1 . LEU 39 39 26922 1 . LYS 40 40 26922 1 . MET 41 41 26922 1 . THR 42 42 26922 1 . SER 43 43 26922 1 . LYS 44 44 26922 1 . ASN 45 45 26922 1 . GLY 46 46 26922 1 . LYS 47 47 26922 1 . PRO 48 48 26922 1 . THR 49 49 26922 1 . SER 50 50 26922 1 . PRO 51 51 26922 1 . VAL 52 52 26922 1 . GLY 53 53 26922 1 . PHE 54 54 26922 1 . VAL 55 55 26922 1 . THR 56 56 26922 1 . PHE 57 57 26922 1 . LEU 58 58 26922 1 . SER 59 59 26922 1 . GLN 60 60 26922 1 . GLN 61 61 26922 1 . ASP 62 62 26922 1 . ALA 63 63 26922 1 . GLN 64 64 26922 1 . ASP 65 65 26922 1 . ALA 66 66 26922 1 . ARG 67 67 26922 1 . LYS 68 68 26922 1 . MET 69 69 26922 1 . LEU 70 70 26922 1 . GLN 71 71 26922 1 . GLY 72 72 26922 1 . VAL 73 73 26922 1 . ARG 74 74 26922 1 . PHE 75 75 26922 1 . ASP 76 76 26922 1 . PRO 77 77 26922 1 . GLU 78 78 26922 1 . ALA 79 79 26922 1 . ALA 80 80 26922 1 . GLN 81 81 26922 1 . VAL 82 82 26922 1 . LEU 83 83 26922 1 . ARG 84 84 26922 1 . LEU 85 85 26922 1 . GLU 86 86 26922 1 . LEU 87 87 26922 1 . ALA 88 88 26922 1 . LYS 89 89 26922 1 . SER 90 90 26922 1 . ASN 91 91 26922 1 . THR 92 92 26922 1 . LYS 93 93 26922 1 . VAL 94 94 26922 1 . ALA 95 95 26922 1 . ARG 96 96 26922 1 . PRO 97 97 26922 1 . LYS 98 98 26922 1 . GLN 99 99 26922 1 . SER 100 100 26922 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26922 _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 $MEC-8_RRM1 . 6239 organism . 'C. elegans' 'Caenorhabditis elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 26922 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26922 _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 $MEC-8_RRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-His1a . . . 26922 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26922 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MEC-8 RRM1' '[U-99% 13C; U-99% 15N]' . . 1 $MEC-8_RRM1 . . 300 . . uM . . . . 26922 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 26922 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26922 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 26922 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 26922 _Sample_condition_list.ID 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' 200 . mM 26922 1 pH 7.5 . pH 26922 1 pressure 1 . atm 26922 1 temperature 298 . K 26922 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26922 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26922 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26922 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26922 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26922 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26922 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26922 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26922 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26922 3 'data analysis' 26922 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26922 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26922 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26922 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26922 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26922 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26922 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26922 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26922 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26922 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26922 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26922 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 26922 1 H 1 water protons . . . . ppm 4.770 internal direct 1 . . . . . 26922 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 26922 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26922 _Assigned_chem_shift_list.ID 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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26922 1 2 '3D HNCO' . . . 26922 1 3 '3D HNCA' . . . 26922 1 4 '3D HNHA' . . . 26922 1 5 '3D H(CCO)NH' . . . 26922 1 6 '3D C(CO)NH' . . . 26922 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 ALA HA H 1 4.33 0.02 . 1 . . . . 25 ALA HA . 26922 1 2 . 1 1 2 2 ALA CA C 13 52.71 0.2 . 1 . . . . 25 ALA CA . 26922 1 3 . 1 1 2 2 ALA CB C 13 19.394 0.2 . 1 . . . . 25 ALA CB . 26922 1 4 . 1 1 3 3 MET H H 1 8.487 0.02 . 1 . . . . 26 MET HN . 26922 1 5 . 1 1 3 3 MET HA H 1 4.439 0.02 . 1 . . . . 26 MET HA . 26922 1 6 . 1 1 3 3 MET CA C 13 55.743 0.2 . 1 . . . . 26 MET CA . 26922 1 7 . 1 1 3 3 MET N N 15 120.095 0.2 . 1 . . . . 26 MET N . 26922 1 8 . 1 1 4 4 ALA H H 1 8.389 0.02 . 1 . . . . 27 ALA HN . 26922 1 9 . 1 1 4 4 ALA HA H 1 4.303 0.02 . 1 . . . . 27 ALA HA . 26922 1 10 . 1 1 4 4 ALA CA C 13 53.227 0.2 . 1 . . . . 27 ALA CA . 26922 1 11 . 1 1 4 4 ALA CB C 13 19.174 0.2 . 1 . . . . 27 ALA CB . 26922 1 12 . 1 1 4 4 ALA N N 15 125.426 0.2 . 1 . . . . 27 ALA N . 26922 1 13 . 1 1 5 5 SER H H 1 8.227 0.02 . 1 . . . . 28 SER HN . 26922 1 14 . 1 1 5 5 SER HA H 1 4.518 0.02 . 1 . . . . 28 SER HA . 26922 1 15 . 1 1 5 5 SER CA C 13 58.167 0.2 . 1 . . . . 28 SER CA . 26922 1 16 . 1 1 5 5 SER CB C 13 63.758 0.2 . 1 . . . . 28 SER CB . 26922 1 17 . 1 1 5 5 SER N N 15 114.502 0.2 . 1 . . . . 28 SER N . 26922 1 18 . 1 1 6 6 GLN H H 1 8.297 0.02 . 1 . . . . 29 GLN HN . 26922 1 19 . 1 1 6 6 GLN HE21 H 1 7.526 0.02 . 1 . . . . 29 GLN HE21 . 26922 1 20 . 1 1 6 6 GLN HE22 H 1 6.947 0.02 . 1 . . . . 29 GLN HE22 . 26922 1 21 . 1 1 6 6 GLN CA C 13 56.092 0.2 . 1 . . . . 29 GLN CA . 26922 1 22 . 1 1 6 6 GLN CB C 13 29.682 0.2 . 1 . . . . 29 GLN CB . 26922 1 23 . 1 1 6 6 GLN N N 15 121.854 0.2 . 1 . . . . 29 GLN N . 26922 1 24 . 1 1 6 6 GLN NE2 N 15 112.693 0.2 . 1 . . . . 29 GLN NE2 . 26922 1 25 . 1 1 7 7 VAL H H 1 8.291 0.02 . 1 . . . . 30 VAL HN . 26922 1 26 . 1 1 7 7 VAL N N 15 122.304 0.2 . 1 . . . . 30 VAL N . 26922 1 27 . 1 1 8 8 ARG H H 1 8.723 0.02 . 1 . . . . 31 ARG HN . 26922 1 28 . 1 1 8 8 ARG HA H 1 4.528 0.02 . 1 . . . . 31 ARG HA . 26922 1 29 . 1 1 8 8 ARG C C 13 173.048 0.2 . 1 . . . . 31 ARG C . 26922 1 30 . 1 1 8 8 ARG CA C 13 54.331 0.2 . 1 . . . . 31 ARG CA . 26922 1 31 . 1 1 8 8 ARG N N 15 121.867 0.2 . 1 . . . . 31 ARG N . 26922 1 32 . 1 1 9 9 THR H H 1 7.103 0.02 . 1 . . . . 32 THR HN . 26922 1 33 . 1 1 9 9 THR HA H 1 5.355 0.02 . 1 . . . . 32 THR HA . 26922 1 34 . 1 1 9 9 THR C C 13 173.067 0.2 . 1 . . . . 32 THR C . 26922 1 35 . 1 1 9 9 THR CA C 13 61.338 0.2 . 1 . . . . 32 THR CA . 26922 1 36 . 1 1 9 9 THR CB C 13 71.841 0.2 . 1 . . . . 32 THR CB . 26922 1 37 . 1 1 9 9 THR N N 15 116.252 0.2 . 1 . . . . 32 THR N . 26922 1 38 . 1 1 10 10 LEU H H 1 9.826 0.02 . 1 . . . . 33 LEU HN . 26922 1 39 . 1 1 10 10 LEU C C 13 175.042 0.2 . 1 . . . . 33 LEU C . 26922 1 40 . 1 1 10 10 LEU CA C 13 52.948 0.2 . 1 . . . . 33 LEU CA . 26922 1 41 . 1 1 10 10 LEU CB C 13 45.161 0.2 . 1 . . . . 33 LEU CB . 26922 1 42 . 1 1 10 10 LEU N N 15 124.423 0.2 . 1 . . . . 33 LEU N . 26922 1 43 . 1 1 11 11 PHE H H 1 9.625 0.02 . 1 . . . . 34 PHE HN . 26922 1 44 . 1 1 11 11 PHE HA H 1 4.965 0.02 . 1 . . . . 34 PHE HA . 26922 1 45 . 1 1 11 11 PHE C C 13 174.535 0.2 . 1 . . . . 34 PHE C . 26922 1 46 . 1 1 11 11 PHE CA C 13 55.956 0.2 . 1 . . . . 34 PHE CA . 26922 1 47 . 1 1 11 11 PHE CB C 13 40.849 0.2 . 1 . . . . 34 PHE CB . 26922 1 48 . 1 1 11 11 PHE N N 15 124.937 0.2 . 1 . . . . 34 PHE N . 26922 1 49 . 1 1 12 12 VAL H H 1 8.851 0.02 . 1 . . . . 35 VAL HN . 26922 1 50 . 1 1 12 12 VAL HA H 1 4.549 0.02 . 1 . . . . 35 VAL HA . 26922 1 51 . 1 1 12 12 VAL C C 13 173.387 0.2 . 1 . . . . 35 VAL C . 26922 1 52 . 1 1 12 12 VAL CA C 13 60.913 0.2 . 1 . . . . 35 VAL CA . 26922 1 53 . 1 1 12 12 VAL CB C 13 33.948 0.2 . 1 . . . . 35 VAL CB . 26922 1 54 . 1 1 12 12 VAL N N 15 128.889 0.2 . 1 . . . . 35 VAL N . 26922 1 55 . 1 1 13 13 SER H H 1 8.784 0.02 . 1 . . . . 36 SER HN . 26922 1 56 . 1 1 13 13 SER HA H 1 4.826 0.02 . 1 . . . . 36 SER HA . 26922 1 57 . 1 1 13 13 SER C C 13 173.166 0.2 . 1 . . . . 36 SER C . 26922 1 58 . 1 1 13 13 SER CA C 13 56.483 0.2 . 1 . . . . 36 SER CA . 26922 1 59 . 1 1 13 13 SER CB C 13 65.603 0.2 . 1 . . . . 36 SER CB . 26922 1 60 . 1 1 13 13 SER N N 15 119.837 0.2 . 1 . . . . 36 SER N . 26922 1 61 . 1 1 14 14 GLY H H 1 8.455 0.02 . 1 . . . . 37 GLY HN . 26922 1 62 . 1 1 14 14 GLY C C 13 174.467 0.2 . 1 . . . . 37 GLY C . 26922 1 63 . 1 1 14 14 GLY CA C 13 45.398 0.2 . 1 . . . . 37 GLY CA . 26922 1 64 . 1 1 14 14 GLY N N 15 108.464 0.2 . 1 . . . . 37 GLY N . 26922 1 65 . 1 1 15 15 LEU H H 1 7.547 0.02 . 1 . . . . 38 LEU HN . 26922 1 66 . 1 1 15 15 LEU CA C 13 52.078 0.2 . 1 . . . . 38 LEU CA . 26922 1 67 . 1 1 15 15 LEU N N 15 119.995 0.2 . 1 . . . . 38 LEU N . 26922 1 68 . 1 1 16 16 PRO HA H 1 4.599 0.02 . 1 . . . . 39 PRO HA . 26922 1 69 . 1 1 16 16 PRO C C 13 176.827 0.2 . 1 . . . . 39 PRO C . 26922 1 70 . 1 1 16 16 PRO CA C 13 61.88 0.2 . 1 . . . . 39 PRO CA . 26922 1 71 . 1 1 17 17 MET H H 1 8.545 0.02 . 1 . . . . 40 MET HN . 26922 1 72 . 1 1 17 17 MET HA H 1 4.08 0.02 . 1 . . . . 40 MET HA . 26922 1 73 . 1 1 17 17 MET C C 13 176.684 0.2 . 1 . . . . 40 MET C . 26922 1 74 . 1 1 17 17 MET CA C 13 57.051 0.2 . 1 . . . . 40 MET CA . 26922 1 75 . 1 1 17 17 MET CG C 13 32.272 0.2 . 1 . . . . 40 MET CG . 26922 1 76 . 1 1 17 17 MET N N 15 116.667 0.2 . 1 . . . . 40 MET N . 26922 1 77 . 1 1 18 18 ASP H H 1 7.749 0.02 . 1 . . . . 41 ASP HN . 26922 1 78 . 1 1 18 18 ASP HA H 1 4.606 0.02 . 1 . . . . 41 ASP HA . 26922 1 79 . 1 1 18 18 ASP C C 13 176.196 0.2 . 1 . . . . 41 ASP C . 26922 1 80 . 1 1 18 18 ASP CA C 13 51.943 0.2 . 1 . . . . 41 ASP CA . 26922 1 81 . 1 1 18 18 ASP CB C 13 39.86 0.2 . 1 . . . . 41 ASP CB . 26922 1 82 . 1 1 18 18 ASP N N 15 114.206 0.2 . 1 . . . . 41 ASP N . 26922 1 83 . 1 1 19 19 ALA H H 1 7.1 0.02 . 1 . . . . 42 ALA HN . 26922 1 84 . 1 1 19 19 ALA HA H 1 4.37 0.02 . 1 . . . . 42 ALA HA . 26922 1 85 . 1 1 19 19 ALA C C 13 176.49 0.2 . 1 . . . . 42 ALA C . 26922 1 86 . 1 1 19 19 ALA CA C 13 52.624 0.2 . 1 . . . . 42 ALA CA . 26922 1 87 . 1 1 19 19 ALA CB C 13 19.252 0.2 . 1 . . . . 42 ALA CB . 26922 1 88 . 1 1 19 19 ALA N N 15 121.392 0.2 . 1 . . . . 42 ALA N . 26922 1 89 . 1 1 20 20 LYS H H 1 9.056 0.02 . 1 . . . . 43 LYS HN . 26922 1 90 . 1 1 20 20 LYS CA C 13 52.987 0.2 . 1 . . . . 43 LYS CA . 26922 1 91 . 1 1 20 20 LYS N N 15 120.716 0.2 . 1 . . . . 43 LYS N . 26922 1 92 . 1 1 21 21 PRO HA H 1 4.018 0.02 . 1 . . . . 44 PRO HA . 26922 1 93 . 1 1 21 21 PRO C C 13 180.083 0.2 . 1 . . . . 44 PRO C . 26922 1 94 . 1 1 21 21 PRO CA C 13 66.882 0.2 . 1 . . . . 44 PRO CA . 26922 1 95 . 1 1 22 22 ARG H H 1 8.958 0.02 . 1 . . . . 45 ARG HN . 26922 1 96 . 1 1 22 22 ARG C C 13 176.54 0.2 . 1 . . . . 45 ARG C . 26922 1 97 . 1 1 22 22 ARG CA C 13 59.073 0.2 . 1 . . . . 45 ARG CA . 26922 1 98 . 1 1 22 22 ARG N N 15 115.476 0.2 . 1 . . . . 45 ARG N . 26922 1 99 . 1 1 23 23 GLU H H 1 7.939 0.02 . 1 . . . . 46 GLU HN . 26922 1 100 . 1 1 23 23 GLU C C 13 178.201 0.2 . 1 . . . . 46 GLU C . 26922 1 101 . 1 1 23 23 GLU CA C 13 60.022 0.2 . 1 . . . . 46 GLU CA . 26922 1 102 . 1 1 23 23 GLU N N 15 118.113 0.2 . 1 . . . . 46 GLU N . 26922 1 103 . 1 1 24 24 LEU H H 1 7.189 0.02 . 1 . . . . 47 LEU HN . 26922 1 104 . 1 1 24 24 LEU HA H 1 4.299 0.02 . 1 . . . . 47 LEU HA . 26922 1 105 . 1 1 24 24 LEU C C 13 178.201 0.2 . 1 . . . . 47 LEU C . 26922 1 106 . 1 1 24 24 LEU CA C 13 57.758 0.2 . 1 . . . . 47 LEU CA . 26922 1 107 . 1 1 24 24 LEU N N 15 116.241 0.2 . 1 . . . . 47 LEU N . 26922 1 108 . 1 1 25 25 TYR H H 1 6.79 0.02 . 1 . . . . 48 TYR HN . 26922 1 109 . 1 1 25 25 TYR C C 13 175.689 0.2 . 1 . . . . 48 TYR C . 26922 1 110 . 1 1 25 25 TYR CA C 13 60.119 0.2 . 1 . . . . 48 TYR CA . 26922 1 111 . 1 1 25 25 TYR N N 15 119.097 0.2 . 1 . . . . 48 TYR N . 26922 1 112 . 1 1 26 26 LEU H H 1 8.293 0.02 . 1 . . . . 49 LEU HN . 26922 1 113 . 1 1 26 26 LEU C C 13 177.173 0.2 . 1 . . . . 49 LEU C . 26922 1 114 . 1 1 26 26 LEU CA C 13 57.818 0.2 . 1 . . . . 49 LEU CA . 26922 1 115 . 1 1 26 26 LEU N N 15 119.954 0.2 . 1 . . . . 49 LEU N . 26922 1 116 . 1 1 27 27 LEU H H 1 7.327 0.02 . 1 . . . . 50 LEU HN . 26922 1 117 . 1 1 27 27 LEU HA H 1 3.749 0.02 . 1 . . . . 50 LEU HA . 26922 1 118 . 1 1 27 27 LEU C C 13 178.137 0.2 . 1 . . . . 50 LEU C . 26922 1 119 . 1 1 27 27 LEU CA C 13 56.743 0.2 . 1 . . . . 50 LEU CA . 26922 1 120 . 1 1 27 27 LEU N N 15 114.238 0.2 . 1 . . . . 50 LEU N . 26922 1 121 . 1 1 28 28 PHE H H 1 7.369 0.02 . 1 . . . . 51 PHE HN . 26922 1 122 . 1 1 28 28 PHE CA C 13 60.382 0.2 . 1 . . . . 51 PHE CA . 26922 1 123 . 1 1 28 28 PHE N N 15 112.486 0.2 . 1 . . . . 51 PHE N . 26922 1 124 . 1 1 29 29 ARG H H 1 7.9 0.02 . 1 . . . . 52 ARG HN . 26922 1 125 . 1 1 29 29 ARG C C 13 176.814 0.2 . 1 . . . . 52 ARG C . 26922 1 126 . 1 1 29 29 ARG CA C 13 58.727 0.2 . 1 . . . . 52 ARG CA . 26922 1 127 . 1 1 29 29 ARG N N 15 117.57 0.2 . 1 . . . . 52 ARG N . 26922 1 128 . 1 1 30 30 GLY H H 1 8.121 0.02 . 1 . . . . 53 GLY HN . 26922 1 129 . 1 1 30 30 GLY C C 13 174.337 0.2 . 1 . . . . 53 GLY C . 26922 1 130 . 1 1 30 30 GLY CA C 13 44.379 0.2 . 1 . . . . 53 GLY CA . 26922 1 131 . 1 1 30 30 GLY N N 15 108.629 0.2 . 1 . . . . 53 GLY N . 26922 1 132 . 1 1 31 31 ALA H H 1 8.14 0.02 . 1 . . . . 54 ALA HN . 26922 1 133 . 1 1 31 31 ALA HA H 1 4.376 0.02 . 1 . . . . 54 ALA HA . 26922 1 134 . 1 1 31 31 ALA C C 13 177.643 0.2 . 1 . . . . 54 ALA C . 26922 1 135 . 1 1 31 31 ALA CA C 13 51.635 0.2 . 1 . . . . 54 ALA CA . 26922 1 136 . 1 1 31 31 ALA CB C 13 18.787 0.2 . 1 . . . . 54 ALA CB . 26922 1 137 . 1 1 31 31 ALA N N 15 126.094 0.2 . 1 . . . . 54 ALA N . 26922 1 138 . 1 1 32 32 ARG H H 1 8.539 0.02 . 1 . . . . 55 ARG HN . 26922 1 139 . 1 1 32 32 ARG HA H 1 4.077 0.02 . 1 . . . . 55 ARG HA . 26922 1 140 . 1 1 32 32 ARG C C 13 177.518 0.2 . 1 . . . . 55 ARG C . 26922 1 141 . 1 1 32 32 ARG CA C 13 57.949 0.2 . 1 . . . . 55 ARG CA . 26922 1 142 . 1 1 32 32 ARG N N 15 126.707 0.2 . 1 . . . . 55 ARG N . 26922 1 143 . 1 1 33 33 GLY H H 1 8.936 0.02 . 1 . . . . 56 GLY HN . 26922 1 144 . 1 1 33 33 GLY HA2 H 1 4.642 0.02 . 1 . . . . 56 GLY HA2 . 26922 1 145 . 1 1 33 33 GLY C C 13 174.641 0.2 . 1 . . . . 56 GLY C . 26922 1 146 . 1 1 33 33 GLY CA C 13 45.813 0.2 . 1 . . . . 56 GLY CA . 26922 1 147 . 1 1 33 33 GLY N N 15 111.626 0.2 . 1 . . . . 56 GLY N . 26922 1 148 . 1 1 34 34 TYR H H 1 7.717 0.02 . 1 . . . . 57 TYR HN . 26922 1 149 . 1 1 34 34 TYR C C 13 174.722 0.2 . 1 . . . . 57 TYR C . 26922 1 150 . 1 1 34 34 TYR CA C 13 61.127 0.2 . 1 . . . . 57 TYR CA . 26922 1 151 . 1 1 34 34 TYR N N 15 120.521 0.2 . 1 . . . . 57 TYR N . 26922 1 152 . 1 1 35 35 GLU H H 1 8.034 0.02 . 1 . . . . 58 GLU HN . 26922 1 153 . 1 1 35 35 GLU HA H 1 4.154 0.02 . 1 . . . . 58 GLU HA . 26922 1 154 . 1 1 35 35 GLU C C 13 175.299 0.2 . 1 . . . . 58 GLU C . 26922 1 155 . 1 1 35 35 GLU CA C 13 56.796 0.2 . 1 . . . . 58 GLU CA . 26922 1 156 . 1 1 35 35 GLU CB C 13 32.447 0.2 . 1 . . . . 58 GLU CB . 26922 1 157 . 1 1 35 35 GLU N N 15 128.267 0.2 . 1 . . . . 58 GLU N . 26922 1 158 . 1 1 36 36 GLY H H 1 6.659 0.02 . 1 . . . . 59 GLY HN . 26922 1 159 . 1 1 36 36 GLY C C 13 169.828 0.2 . 1 . . . . 59 GLY C . 26922 1 160 . 1 1 36 36 GLY CA C 13 45.96 0.2 . 1 . . . . 59 GLY CA . 26922 1 161 . 1 1 36 36 GLY N N 15 105.314 0.2 . 1 . . . . 59 GLY N . 26922 1 162 . 1 1 37 37 ALA H H 1 7.902 0.02 . 1 . . . . 60 ALA HN . 26922 1 163 . 1 1 37 37 ALA HA H 1 5.252 0.02 . 1 . . . . 60 ALA HA . 26922 1 164 . 1 1 37 37 ALA C C 13 175.279 0.2 . 1 . . . . 60 ALA C . 26922 1 165 . 1 1 37 37 ALA CA C 13 51.333 0.2 . 1 . . . . 60 ALA CA . 26922 1 166 . 1 1 37 37 ALA CB C 13 24.051 0.2 . 1 . . . . 60 ALA CB . 26922 1 167 . 1 1 37 37 ALA N N 15 118.975 0.2 . 1 . . . . 60 ALA N . 26922 1 168 . 1 1 38 38 LEU H H 1 8.736 0.02 . 1 . . . . 61 LEU HN . 26922 1 169 . 1 1 38 38 LEU HA H 1 4.668 0.02 . 1 . . . . 61 LEU HA . 26922 1 170 . 1 1 38 38 LEU C C 13 173.87 0.2 . 1 . . . . 61 LEU C . 26922 1 171 . 1 1 38 38 LEU CA C 13 54.259 0.2 . 1 . . . . 61 LEU CA . 26922 1 172 . 1 1 38 38 LEU CB C 13 46.193 0.2 . 1 . . . . 61 LEU CB . 26922 1 173 . 1 1 38 38 LEU N N 15 121.947 0.2 . 1 . . . . 61 LEU N . 26922 1 174 . 1 1 39 39 LEU H H 1 8.987 0.02 . 1 . . . . 62 LEU HN . 26922 1 175 . 1 1 39 39 LEU HA H 1 5 0.02 . 1 . . . . 62 LEU HA . 26922 1 176 . 1 1 39 39 LEU C C 13 175.337 0.2 . 1 . . . . 62 LEU C . 26922 1 177 . 1 1 39 39 LEU CA C 13 53.559 0.2 . 1 . . . . 62 LEU CA . 26922 1 178 . 1 1 39 39 LEU N N 15 126.093 0.2 . 1 . . . . 62 LEU N . 26922 1 179 . 1 1 40 40 LYS H H 1 9.385 0.02 . 1 . . . . 63 LYS HN . 26922 1 180 . 1 1 40 40 LYS HA H 1 4.687 0.02 . 1 . . . . 63 LYS HA . 26922 1 181 . 1 1 40 40 LYS C C 13 174.79 0.2 . 1 . . . . 63 LYS C . 26922 1 182 . 1 1 40 40 LYS CA C 13 54.914 0.2 . 1 . . . . 63 LYS CA . 26922 1 183 . 1 1 40 40 LYS CB C 13 35.109 0.2 . 1 . . . . 63 LYS CB . 26922 1 184 . 1 1 40 40 LYS N N 15 127.324 0.2 . 1 . . . . 63 LYS N . 26922 1 185 . 1 1 41 41 MET H H 1 8.591 0.02 . 1 . . . . 64 MET HN . 26922 1 186 . 1 1 41 41 MET HA H 1 4.707 0.02 . 1 . . . . 64 MET HA . 26922 1 187 . 1 1 41 41 MET C C 13 176.76 0.2 . 1 . . . . 64 MET C . 26922 1 188 . 1 1 41 41 MET CA C 13 54.881 0.2 . 1 . . . . 64 MET CA . 26922 1 189 . 1 1 41 41 MET N N 15 123.497 0.2 . 1 . . . . 64 MET N . 26922 1 190 . 1 1 42 42 THR H H 1 8.605 0.02 . 1 . . . . 65 THR HN . 26922 1 191 . 1 1 42 42 THR HA H 1 4.651 0.02 . 1 . . . . 65 THR HA . 26922 1 192 . 1 1 42 42 THR C C 13 173.637 0.2 . 1 . . . . 65 THR C . 26922 1 193 . 1 1 42 42 THR CA C 13 60.567 0.2 . 1 . . . . 65 THR CA . 26922 1 194 . 1 1 42 42 THR N N 15 114.226 0.2 . 1 . . . . 65 THR N . 26922 1 195 . 1 1 43 43 SER H H 1 8.321 0.02 . 1 . . . . 66 SER HN . 26922 1 196 . 1 1 43 43 SER CA C 13 57.837 0.2 . 1 . . . . 66 SER CA . 26922 1 197 . 1 1 43 43 SER N N 15 116.336 0.2 . 1 . . . . 66 SER N . 26922 1 198 . 1 1 44 44 LYS H H 1 8.754 0.02 . 1 . . . . 67 LYS HN . 26922 1 199 . 1 1 44 44 LYS N N 15 122.093 0.2 . 1 . . . . 67 LYS N . 26922 1 200 . 1 1 45 45 ASN HA H 1 4.393 0.02 . 1 . . . . 68 ASN HA . 26922 1 201 . 1 1 45 45 ASN HD21 H 1 7.643 0.02 . 1 . . . . 68 ASN HD21 . 26922 1 202 . 1 1 45 45 ASN HD22 H 1 6.967 0.02 . 1 . . . . 68 ASN HD22 . 26922 1 203 . 1 1 45 45 ASN C C 13 175.132 0.2 . 1 . . . . 68 ASN C . 26922 1 204 . 1 1 45 45 ASN CA C 13 56.183 0.2 . 1 . . . . 68 ASN CA . 26922 1 205 . 1 1 45 45 ASN CB C 13 37.709 0.2 . 1 . . . . 68 ASN CB . 26922 1 206 . 1 1 45 45 ASN ND2 N 15 112.914 0.2 . 1 . . . . 68 ASN ND2 . 26922 1 207 . 1 1 46 46 GLY H H 1 8.64 0.02 . 1 . . . . 69 GLY HN . 26922 1 208 . 1 1 46 46 GLY HA2 H 1 3.649 0.02 . 1 . . . . 69 GLY HA2 . 26922 1 209 . 1 1 46 46 GLY HA3 H 1 4.139 0.02 . 1 . . . . 69 GLY HA3 . 26922 1 210 . 1 1 46 46 GLY C C 13 173.826 0.2 . 1 . . . . 69 GLY C . 26922 1 211 . 1 1 46 46 GLY CA C 13 45.23 0.2 . 1 . . . . 69 GLY CA . 26922 1 212 . 1 1 46 46 GLY N N 15 104.603 0.2 . 1 . . . . 69 GLY N . 26922 1 213 . 1 1 47 47 LYS H H 1 7.715 0.02 . 1 . . . . 70 LYS HN . 26922 1 214 . 1 1 47 47 LYS HA H 1 4.884 0.02 . 1 . . . . 70 LYS HA . 26922 1 215 . 1 1 47 47 LYS CA C 13 53.017 0.2 . 1 . . . . 70 LYS CA . 26922 1 216 . 1 1 47 47 LYS N N 15 121.532 0.2 . 1 . . . . 70 LYS N . 26922 1 217 . 1 1 48 48 PRO C C 13 176.66 0.2 . 1 . . . . 71 PRO C . 26922 1 218 . 1 1 48 48 PRO CA C 13 63.654 0.2 . 1 . . . . 71 PRO CA . 26922 1 219 . 1 1 49 49 THR H H 1 8.108 0.02 . 1 . . . . 72 THR HN . 26922 1 220 . 1 1 49 49 THR HA H 1 4.536 0.02 . 1 . . . . 72 THR HA . 26922 1 221 . 1 1 49 49 THR C C 13 173.558 0.2 . 1 . . . . 72 THR C . 26922 1 222 . 1 1 49 49 THR CA C 13 60.213 0.2 . 1 . . . . 72 THR CA . 26922 1 223 . 1 1 49 49 THR CB C 13 70.898 0.2 . 1 . . . . 72 THR CB . 26922 1 224 . 1 1 49 49 THR N N 15 115.765 0.2 . 1 . . . . 72 THR N . 26922 1 225 . 1 1 50 50 SER H H 1 8.269 0.02 . 1 . . . . 73 SER HN . 26922 1 226 . 1 1 50 50 SER CA C 13 58.352 0.2 . 1 . . . . 73 SER CA . 26922 1 227 . 1 1 50 50 SER N N 15 117.448 0.2 . 1 . . . . 73 SER N . 26922 1 228 . 1 1 51 51 PRO HA H 1 4.902 0.02 . 1 . . . . 74 PRO HA . 26922 1 229 . 1 1 51 51 PRO C C 13 174.666 0.2 . 1 . . . . 74 PRO C . 26922 1 230 . 1 1 51 51 PRO CA C 13 63.25 0.2 . 1 . . . . 74 PRO CA . 26922 1 231 . 1 1 51 51 PRO CB C 13 32.681 0.2 . 1 . . . . 74 PRO CB . 26922 1 232 . 1 1 52 52 VAL H H 1 8.483 0.02 . 1 . . . . 75 VAL HN . 26922 1 233 . 1 1 52 52 VAL HA H 1 4.603 0.02 . 1 . . . . 75 VAL HA . 26922 1 234 . 1 1 52 52 VAL C C 13 174.482 0.2 . 1 . . . . 75 VAL C . 26922 1 235 . 1 1 52 52 VAL CA C 13 59.27 0.2 . 1 . . . . 75 VAL CA . 26922 1 236 . 1 1 52 52 VAL N N 15 112.502 0.2 . 1 . . . . 75 VAL N . 26922 1 237 . 1 1 53 53 GLY H H 1 8.743 0.02 . 1 . . . . 76 GLY HN . 26922 1 238 . 1 1 53 53 GLY C C 13 170.839 0.2 . 1 . . . . 76 GLY C . 26922 1 239 . 1 1 53 53 GLY CA C 13 43.784 0.2 . 1 . . . . 76 GLY CA . 26922 1 240 . 1 1 53 53 GLY N N 15 107.039 0.2 . 1 . . . . 76 GLY N . 26922 1 241 . 1 1 54 54 PHE H H 1 8.982 0.02 . 1 . . . . 77 PHE HN . 26922 1 242 . 1 1 54 54 PHE HA H 1 5.566 0.02 . 1 . . . . 77 PHE HA . 26922 1 243 . 1 1 54 54 PHE C C 13 176.14 0.2 . 1 . . . . 77 PHE C . 26922 1 244 . 1 1 54 54 PHE CA C 13 56.594 0.2 . 1 . . . . 77 PHE CA . 26922 1 245 . 1 1 54 54 PHE CB C 13 41.643 0.2 . 1 . . . . 77 PHE CB . 26922 1 246 . 1 1 54 54 PHE N N 15 118.566 0.2 . 1 . . . . 77 PHE N . 26922 1 247 . 1 1 55 55 VAL H H 1 9.233 0.02 . 1 . . . . 78 VAL HN . 26922 1 248 . 1 1 55 55 VAL HA H 1 4.66 0.02 . 1 . . . . 78 VAL HA . 26922 1 249 . 1 1 55 55 VAL C C 13 174.087 0.2 . 1 . . . . 78 VAL C . 26922 1 250 . 1 1 55 55 VAL CA C 13 61.21 0.2 . 1 . . . . 78 VAL CA . 26922 1 251 . 1 1 55 55 VAL N N 15 126.156 0.2 . 1 . . . . 78 VAL N . 26922 1 252 . 1 1 56 56 THR H H 1 8.904 0.02 . 1 . . . . 79 THR HN . 26922 1 253 . 1 1 56 56 THR HA H 1 4.726 0.02 . 1 . . . . 79 THR HA . 26922 1 254 . 1 1 56 56 THR C C 13 172.267 0.2 . 1 . . . . 79 THR C . 26922 1 255 . 1 1 56 56 THR CA C 13 62.944 0.2 . 1 . . . . 79 THR CA . 26922 1 256 . 1 1 56 56 THR CB C 13 70.355 0.2 . 1 . . . . 79 THR CB . 26922 1 257 . 1 1 56 56 THR CG2 C 13 22.828 0.2 . 1 . . . . 79 THR CG2 . 26922 1 258 . 1 1 56 56 THR N N 15 125.106 0.2 . 1 . . . . 79 THR N . 26922 1 259 . 1 1 57 57 PHE H H 1 8.678 0.02 . 1 . . . . 80 PHE HN . 26922 1 260 . 1 1 57 57 PHE HA H 1 5.162 0.02 . 1 . . . . 80 PHE HA . 26922 1 261 . 1 1 57 57 PHE C C 13 176.353 0.2 . 1 . . . . 80 PHE C . 26922 1 262 . 1 1 57 57 PHE CA C 13 56.257 0.2 . 1 . . . . 80 PHE CA . 26922 1 263 . 1 1 57 57 PHE CB C 13 44.533 0.2 . 1 . . . . 80 PHE CB . 26922 1 264 . 1 1 57 57 PHE N N 15 123.55 0.2 . 1 . . . . 80 PHE N . 26922 1 265 . 1 1 58 58 LEU H H 1 9.439 0.02 . 1 . . . . 81 LEU HN . 26922 1 266 . 1 1 58 58 LEU HA H 1 4.071 0.02 . 1 . . . . 81 LEU HA . 26922 1 267 . 1 1 58 58 LEU C C 13 177.116 0.2 . 1 . . . . 81 LEU C . 26922 1 268 . 1 1 58 58 LEU CA C 13 57.554 0.2 . 1 . . . . 81 LEU CA . 26922 1 269 . 1 1 58 58 LEU CB C 13 42.397 0.2 . 1 . . . . 81 LEU CB . 26922 1 270 . 1 1 58 58 LEU N N 15 119.095 0.2 . 1 . . . . 81 LEU N . 26922 1 271 . 1 1 59 59 SER H H 1 7.603 0.02 . 1 . . . . 82 SER HN . 26922 1 272 . 1 1 59 59 SER CA C 13 56.435 0.2 . 1 . . . . 82 SER CA . 26922 1 273 . 1 1 59 59 SER N N 15 107.432 0.2 . 1 . . . . 82 SER N . 26922 1 274 . 1 1 60 60 GLN H H 1 9.224 0.02 . 1 . . . . 83 GLN HN . 26922 1 275 . 1 1 60 60 GLN HA H 1 4.079 0.02 . 1 . . . . 83 GLN HA . 26922 1 276 . 1 1 60 60 GLN HE21 H 1 7.769 0.02 . 1 . . . . 83 GLN HE21 . 26922 1 277 . 1 1 60 60 GLN HE22 H 1 6.922 0.02 . 1 . . . . 83 GLN HE22 . 26922 1 278 . 1 1 60 60 GLN CA C 13 59.675 0.2 . 1 . . . . 83 GLN CA . 26922 1 279 . 1 1 60 60 GLN N N 15 123.388 0.2 . 1 . . . . 83 GLN N . 26922 1 280 . 1 1 60 60 GLN NE2 N 15 111.65 0.2 . 1 . . . . 83 GLN NE2 . 26922 1 281 . 1 1 61 61 GLN H H 1 8.68 0.02 . 1 . . . . 84 GLN HN . 26922 1 282 . 1 1 61 61 GLN HA H 1 3.888 0.02 . 1 . . . . 84 GLN HA . 26922 1 283 . 1 1 61 61 GLN HE21 H 1 7.766 0.02 . 1 . . . . 84 GLN HE21 . 26922 1 284 . 1 1 61 61 GLN HE22 H 1 6.833 0.02 . 1 . . . . 84 GLN HE22 . 26922 1 285 . 1 1 61 61 GLN C C 13 177.74 0.2 . 1 . . . . 84 GLN C . 26922 1 286 . 1 1 61 61 GLN CA C 13 58.872 0.2 . 1 . . . . 84 GLN CA . 26922 1 287 . 1 1 61 61 GLN N N 15 119.56 0.2 . 1 . . . . 84 GLN N . 26922 1 288 . 1 1 61 61 GLN NE2 N 15 115.194 0.2 . 1 . . . . 84 GLN NE2 . 26922 1 289 . 1 1 62 62 ASP H H 1 7.54 0.02 . 1 . . . . 85 ASP HN . 26922 1 290 . 1 1 62 62 ASP HA H 1 4.228 0.02 . 1 . . . . 85 ASP HA . 26922 1 291 . 1 1 62 62 ASP C C 13 178.715 0.2 . 1 . . . . 85 ASP C . 26922 1 292 . 1 1 62 62 ASP CA C 13 57.437 0.2 . 1 . . . . 85 ASP CA . 26922 1 293 . 1 1 62 62 ASP CB C 13 41.266 0.2 . 1 . . . . 85 ASP CB . 26922 1 294 . 1 1 62 62 ASP N N 15 119.053 0.2 . 1 . . . . 85 ASP N . 26922 1 295 . 1 1 63 63 ALA H H 1 7.404 0.02 . 1 . . . . 86 ALA HN . 26922 1 296 . 1 1 63 63 ALA HA H 1 2.579 0.02 . 1 . . . . 86 ALA HA . 26922 1 297 . 1 1 63 63 ALA C C 13 178.766 0.2 . 1 . . . . 86 ALA C . 26922 1 298 . 1 1 63 63 ALA CA C 13 54.728 0.2 . 1 . . . . 86 ALA CA . 26922 1 299 . 1 1 63 63 ALA N N 15 123.726 0.2 . 1 . . . . 86 ALA N . 26922 1 300 . 1 1 64 64 GLN H H 1 8.461 0.02 . 1 . . . . 87 GLN HN . 26922 1 301 . 1 1 64 64 GLN HE21 H 1 7.341 0.02 . 1 . . . . 87 GLN HE21 . 26922 1 302 . 1 1 64 64 GLN HE22 H 1 6.806 0.02 . 1 . . . . 87 GLN HE22 . 26922 1 303 . 1 1 64 64 GLN C C 13 179.457 0.2 . 1 . . . . 87 GLN C . 26922 1 304 . 1 1 64 64 GLN CA C 13 58.982 0.2 . 1 . . . . 87 GLN CA . 26922 1 305 . 1 1 64 64 GLN CG C 13 33.915 0.2 . 1 . . . . 87 GLN CG . 26922 1 306 . 1 1 64 64 GLN N N 15 116.672 0.2 . 1 . . . . 87 GLN N . 26922 1 307 . 1 1 64 64 GLN NE2 N 15 110.982 0.2 . 1 . . . . 87 GLN NE2 . 26922 1 308 . 1 1 65 65 ASP H H 1 8.488 0.02 . 1 . . . . 88 ASP HN . 26922 1 309 . 1 1 65 65 ASP HA H 1 4.432 0.02 . 1 . . . . 88 ASP HA . 26922 1 310 . 1 1 65 65 ASP C C 13 178.784 0.2 . 1 . . . . 88 ASP C . 26922 1 311 . 1 1 65 65 ASP CA C 13 57.415 0.2 . 1 . . . . 88 ASP CA . 26922 1 312 . 1 1 65 65 ASP CB C 13 39.947 0.2 . 1 . . . . 88 ASP CB . 26922 1 313 . 1 1 65 65 ASP N N 15 121.824 0.2 . 1 . . . . 88 ASP N . 26922 1 314 . 1 1 66 66 ALA H H 1 7.719 0.02 . 1 . . . . 89 ALA HN . 26922 1 315 . 1 1 66 66 ALA HA H 1 4.072 0.02 . 1 . . . . 89 ALA HA . 26922 1 316 . 1 1 66 66 ALA CA C 13 55.38 0.2 . 1 . . . . 89 ALA CA . 26922 1 317 . 1 1 66 66 ALA CB C 13 19.113 0.2 . 1 . . . . 89 ALA CB . 26922 1 318 . 1 1 66 66 ALA N N 15 123.891 0.2 . 1 . . . . 89 ALA N . 26922 1 319 . 1 1 67 67 ARG H H 1 7.897 0.02 . 1 . . . . 90 ARG HN . 26922 1 320 . 1 1 67 67 ARG C C 13 176.926 0.2 . 1 . . . . 90 ARG C . 26922 1 321 . 1 1 67 67 ARG N N 15 117.506 0.2 . 1 . . . . 90 ARG N . 26922 1 322 . 1 1 68 68 LYS H H 1 7.641 0.02 . 1 . . . . 91 LYS HN . 26922 1 323 . 1 1 68 68 LYS HA H 1 4.009 0.02 . 1 . . . . 91 LYS HA . 26922 1 324 . 1 1 68 68 LYS C C 13 178.925 0.2 . 1 . . . . 91 LYS C . 26922 1 325 . 1 1 68 68 LYS CA C 13 59.023 0.2 . 1 . . . . 91 LYS CA . 26922 1 326 . 1 1 68 68 LYS N N 15 116.633 0.2 . 1 . . . . 91 LYS N . 26922 1 327 . 1 1 69 69 MET H H 1 7.74 0.02 . 1 . . . . 92 MET HN . 26922 1 328 . 1 1 69 69 MET HA H 1 4.157 0.02 . 1 . . . . 92 MET HA . 26922 1 329 . 1 1 69 69 MET C C 13 177.995 0.2 . 1 . . . . 92 MET C . 26922 1 330 . 1 1 69 69 MET CA C 13 57.973 0.2 . 1 . . . . 92 MET CA . 26922 1 331 . 1 1 69 69 MET CG C 13 31.528 0.2 . 1 . . . . 92 MET CG . 26922 1 332 . 1 1 69 69 MET N N 15 116.492 0.2 . 1 . . . . 92 MET N . 26922 1 333 . 1 1 70 70 LEU H H 1 7.672 0.02 . 1 . . . . 93 LEU HN . 26922 1 334 . 1 1 70 70 LEU HA H 1 4.429 0.02 . 1 . . . . 93 LEU HA . 26922 1 335 . 1 1 70 70 LEU C C 13 175.417 0.2 . 1 . . . . 93 LEU C . 26922 1 336 . 1 1 70 70 LEU CA C 13 54.224 0.2 . 1 . . . . 93 LEU CA . 26922 1 337 . 1 1 70 70 LEU N N 15 117.076 0.2 . 1 . . . . 93 LEU N . 26922 1 338 . 1 1 71 71 GLN H H 1 7.421 0.02 . 1 . . . . 94 GLN HN . 26922 1 339 . 1 1 71 71 GLN HA H 1 4.118 0.02 . 1 . . . . 94 GLN HA . 26922 1 340 . 1 1 71 71 GLN HE21 H 1 7.618 0.02 . 1 . . . . 94 GLN HE21 . 26922 1 341 . 1 1 71 71 GLN HE22 H 1 7.136 0.02 . 1 . . . . 94 GLN HE22 . 26922 1 342 . 1 1 71 71 GLN C C 13 178.451 0.2 . 1 . . . . 94 GLN C . 26922 1 343 . 1 1 71 71 GLN CA C 13 57.481 0.2 . 1 . . . . 94 GLN CA . 26922 1 344 . 1 1 71 71 GLN N N 15 120.361 0.2 . 1 . . . . 94 GLN N . 26922 1 345 . 1 1 71 71 GLN NE2 N 15 110.584 0.2 . 1 . . . . 94 GLN NE2 . 26922 1 346 . 1 1 72 72 GLY H H 1 8.423 0.02 . 1 . . . . 95 GLY HN . 26922 1 347 . 1 1 72 72 GLY C C 13 173.867 0.2 . 1 . . . . 95 GLY C . 26922 1 348 . 1 1 72 72 GLY CA C 13 46.358 0.2 . 1 . . . . 95 GLY CA . 26922 1 349 . 1 1 72 72 GLY N N 15 114.232 0.2 . 1 . . . . 95 GLY N . 26922 1 350 . 1 1 73 73 VAL H H 1 7.609 0.02 . 1 . . . . 96 VAL HN . 26922 1 351 . 1 1 73 73 VAL HA H 1 4.04 0.02 . 1 . . . . 96 VAL HA . 26922 1 352 . 1 1 73 73 VAL C C 13 176.827 0.2 . 1 . . . . 96 VAL C . 26922 1 353 . 1 1 73 73 VAL CA C 13 62.267 0.2 . 1 . . . . 96 VAL CA . 26922 1 354 . 1 1 73 73 VAL N N 15 119.953 0.2 . 1 . . . . 96 VAL N . 26922 1 355 . 1 1 74 74 ARG H H 1 8.473 0.02 . 1 . . . . 97 ARG HN . 26922 1 356 . 1 1 74 74 ARG HA H 1 4.442 0.02 . 1 . . . . 97 ARG HA . 26922 1 357 . 1 1 74 74 ARG C C 13 176.684 0.2 . 1 . . . . 97 ARG C . 26922 1 358 . 1 1 74 74 ARG CA C 13 56.987 0.2 . 1 . . . . 97 ARG CA . 26922 1 359 . 1 1 74 74 ARG N N 15 123.766 0.2 . 1 . . . . 97 ARG N . 26922 1 360 . 1 1 75 75 PHE H H 1 8.869 0.02 . 1 . . . . 98 PHE HN . 26922 1 361 . 1 1 75 75 PHE HA H 1 4.165 0.02 . 1 . . . . 98 PHE HA . 26922 1 362 . 1 1 75 75 PHE C C 13 171.659 0.2 . 1 . . . . 98 PHE C . 26922 1 363 . 1 1 75 75 PHE CA C 13 60.627 0.2 . 1 . . . . 98 PHE CA . 26922 1 364 . 1 1 75 75 PHE CB C 13 40.763 0.2 . 1 . . . . 98 PHE CB . 26922 1 365 . 1 1 75 75 PHE N N 15 127.579 0.2 . 1 . . . . 98 PHE N . 26922 1 366 . 1 1 76 76 ASP H H 1 7.71 0.02 . 1 . . . . 99 ASP HN . 26922 1 367 . 1 1 76 76 ASP HA H 1 4.962 0.02 . 1 . . . . 99 ASP HA . 26922 1 368 . 1 1 76 76 ASP CA C 13 48.613 0.2 . 1 . . . . 99 ASP CA . 26922 1 369 . 1 1 76 76 ASP N N 15 109.677 0.2 . 1 . . . . 99 ASP N . 26922 1 370 . 1 1 77 77 PRO CA C 13 62.125 0.2 . 1 . . . . 100 PRO CA . 26922 1 371 . 1 1 78 78 GLU H H 1 8.108 0.02 . 1 . . . . 101 GLU HN . 26922 1 372 . 1 1 78 78 GLU HA H 1 4.215 0.02 . 1 . . . . 101 GLU HA . 26922 1 373 . 1 1 78 78 GLU C C 13 175.337 0.2 . 1 . . . . 101 GLU C . 26922 1 374 . 1 1 78 78 GLU CA C 13 55.86 0.2 . 1 . . . . 101 GLU CA . 26922 1 375 . 1 1 78 78 GLU N N 15 115.63 0.2 . 1 . . . . 101 GLU N . 26922 1 376 . 1 1 79 79 ALA H H 1 8.034 0.02 . 1 . . . . 102 ALA HN . 26922 1 377 . 1 1 79 79 ALA HA H 1 4.72 0.02 . 1 . . . . 102 ALA HA . 26922 1 378 . 1 1 79 79 ALA CA C 13 50.737 0.2 . 1 . . . . 102 ALA CA . 26922 1 379 . 1 1 79 79 ALA CB C 13 22.041 0.2 . 1 . . . . 102 ALA CB . 26922 1 380 . 1 1 79 79 ALA N N 15 124.144 0.2 . 1 . . . . 102 ALA N . 26922 1 381 . 1 1 80 80 ALA H H 1 8.312 0.02 . 1 . . . . 103 ALA HN . 26922 1 382 . 1 1 80 80 ALA HA H 1 4.071 0.02 . 1 . . . . 103 ALA HA . 26922 1 383 . 1 1 80 80 ALA C C 13 178.187 0.2 . 1 . . . . 103 ALA C . 26922 1 384 . 1 1 80 80 ALA CA C 13 53.022 0.2 . 1 . . . . 103 ALA CA . 26922 1 385 . 1 1 80 80 ALA CB C 13 19.146 0.2 . 1 . . . . 103 ALA CB . 26922 1 386 . 1 1 80 80 ALA N N 15 121.64 0.2 . 1 . . . . 103 ALA N . 26922 1 387 . 1 1 81 81 GLN H H 1 7.463 0.02 . 1 . . . . 104 GLN HN . 26922 1 388 . 1 1 81 81 GLN HA H 1 4.212 0.02 . 1 . . . . 104 GLN HA . 26922 1 389 . 1 1 81 81 GLN HE21 H 1 7.689 0.02 . 1 . . . . 104 GLN HE21 . 26922 1 390 . 1 1 81 81 GLN HE22 H 1 6.771 0.02 . 1 . . . . 104 GLN HE22 . 26922 1 391 . 1 1 81 81 GLN C C 13 176.372 0.2 . 1 . . . . 104 GLN C . 26922 1 392 . 1 1 81 81 GLN CA C 13 56.898 0.2 . 1 . . . . 104 GLN CA . 26922 1 393 . 1 1 81 81 GLN N N 15 117.056 0.2 . 1 . . . . 104 GLN N . 26922 1 394 . 1 1 81 81 GLN NE2 N 15 113.15 0.2 . 1 . . . . 104 GLN NE2 . 26922 1 395 . 1 1 82 82 VAL H H 1 8.255 0.02 . 1 . . . . 105 VAL HN . 26922 1 396 . 1 1 82 82 VAL HA H 1 4.699 0.02 . 1 . . . . 105 VAL HA . 26922 1 397 . 1 1 82 82 VAL C C 13 175.435 0.2 . 1 . . . . 105 VAL C . 26922 1 398 . 1 1 82 82 VAL CA C 13 59.877 0.2 . 1 . . . . 105 VAL CA . 26922 1 399 . 1 1 82 82 VAL N N 15 120.233 0.2 . 1 . . . . 105 VAL N . 26922 1 400 . 1 1 83 83 LEU H H 1 8.46 0.02 . 1 . . . . 106 LEU HN . 26922 1 401 . 1 1 83 83 LEU CA C 13 55.105 0.2 . 1 . . . . 106 LEU CA . 26922 1 402 . 1 1 83 83 LEU N N 15 121.106 0.2 . 1 . . . . 106 LEU N . 26922 1 403 . 1 1 84 84 ARG H H 1 8.289 0.02 . 1 . . . . 107 ARG HN . 26922 1 404 . 1 1 84 84 ARG HA H 1 4.809 0.02 . 1 . . . . 107 ARG HA . 26922 1 405 . 1 1 84 84 ARG C C 13 174.682 0.2 . 1 . . . . 107 ARG C . 26922 1 406 . 1 1 84 84 ARG CA C 13 54.831 0.2 . 1 . . . . 107 ARG CA . 26922 1 407 . 1 1 84 84 ARG CB C 13 31.716 0.2 . 1 . . . . 107 ARG CB . 26922 1 408 . 1 1 84 84 ARG N N 15 122.536 0.2 . 1 . . . . 107 ARG N . 26922 1 409 . 1 1 85 85 LEU H H 1 9.441 0.02 . 1 . . . . 108 LEU HN . 26922 1 410 . 1 1 85 85 LEU HA H 1 5.421 0.02 . 1 . . . . 108 LEU HA . 26922 1 411 . 1 1 85 85 LEU C C 13 175.957 0.2 . 1 . . . . 108 LEU C . 26922 1 412 . 1 1 85 85 LEU CA C 13 53.687 0.2 . 1 . . . . 108 LEU CA . 26922 1 413 . 1 1 85 85 LEU N N 15 126.617 0.2 . 1 . . . . 108 LEU N . 26922 1 414 . 1 1 86 86 GLU H H 1 8.674 0.02 . 1 . . . . 109 GLU HN . 26922 1 415 . 1 1 86 86 GLU HA H 1 4.778 0.02 . 1 . . . . 109 GLU HA . 26922 1 416 . 1 1 86 86 GLU C C 13 175.12 0.2 . 1 . . . . 109 GLU C . 26922 1 417 . 1 1 86 86 GLU CA C 13 53.825 0.2 . 1 . . . . 109 GLU CA . 26922 1 418 . 1 1 86 86 GLU N N 15 120.606 0.2 . 1 . . . . 109 GLU N . 26922 1 419 . 1 1 87 87 LEU H H 1 9.203 0.02 . 1 . . . . 110 LEU HN . 26922 1 420 . 1 1 87 87 LEU HA H 1 4.438 0.02 . 1 . . . . 110 LEU HA . 26922 1 421 . 1 1 87 87 LEU C C 13 177.185 0.2 . 1 . . . . 110 LEU C . 26922 1 422 . 1 1 87 87 LEU CA C 13 56.235 0.2 . 1 . . . . 110 LEU CA . 26922 1 423 . 1 1 87 87 LEU CB C 13 41.58 0.2 . 1 . . . . 110 LEU CB . 26922 1 424 . 1 1 87 87 LEU N N 15 124.446 0.2 . 1 . . . . 110 LEU N . 26922 1 425 . 1 1 88 88 ALA H H 1 8.609 0.02 . 1 . . . . 111 ALA HN . 26922 1 426 . 1 1 88 88 ALA HA H 1 4.177 0.02 . 1 . . . . 111 ALA HA . 26922 1 427 . 1 1 88 88 ALA C C 13 175.922 0.2 . 1 . . . . 111 ALA C . 26922 1 428 . 1 1 88 88 ALA CA C 13 51.99 0.2 . 1 . . . . 111 ALA CA . 26922 1 429 . 1 1 88 88 ALA CB C 13 19.6 0.2 . 1 . . . . 111 ALA CB . 26922 1 430 . 1 1 88 88 ALA N N 15 126.88 0.2 . 1 . . . . 111 ALA N . 26922 1 431 . 1 1 89 89 LYS H H 1 8.358 0.02 . 1 . . . . 112 LYS HN . 26922 1 432 . 1 1 89 89 LYS CA C 13 56.471 0.2 . 1 . . . . 112 LYS CA . 26922 1 433 . 1 1 89 89 LYS N N 15 119 0.2 . 1 . . . . 112 LYS N . 26922 1 434 . 1 1 90 90 SER H H 1 8.07 0.02 . 1 . . . . 113 SER HN . 26922 1 435 . 1 1 90 90 SER C C 13 177.615 0.2 . 1 . . . . 113 SER C . 26922 1 436 . 1 1 90 90 SER CA C 13 59.854 0.2 . 1 . . . . 113 SER CA . 26922 1 437 . 1 1 90 90 SER N N 15 114.224 0.2 . 1 . . . . 113 SER N . 26922 1 438 . 1 1 91 91 ASN H H 1 8.682 0.02 . 1 . . . . 114 ASN HN . 26922 1 439 . 1 1 91 91 ASN HD21 H 1 7.619 0.02 . 1 . . . . 114 ASN HD21 . 26922 1 440 . 1 1 91 91 ASN HD22 H 1 6.964 0.02 . 1 . . . . 114 ASN HD22 . 26922 1 441 . 1 1 91 91 ASN CA C 13 58.87 0.2 . 1 . . . . 114 ASN CA . 26922 1 442 . 1 1 91 91 ASN CB C 13 38.69 0.2 . 1 . . . . 114 ASN CB . 26922 1 443 . 1 1 91 91 ASN N N 15 119.854 0.2 . 1 . . . . 114 ASN N . 26922 1 444 . 1 1 91 91 ASN ND2 N 15 113.571 0.2 . 1 . . . . 114 ASN ND2 . 26922 1 445 . 1 1 92 92 THR H H 1 7.976 0.02 . 1 . . . . 115 THR HN . 26922 1 446 . 1 1 92 92 THR HA H 1 4.189 0.02 . 1 . . . . 115 THR HA . 26922 1 447 . 1 1 92 92 THR C C 13 174.135 0.2 . 1 . . . . 115 THR C . 26922 1 448 . 1 1 92 92 THR CA C 13 62.251 0.2 . 1 . . . . 115 THR CA . 26922 1 449 . 1 1 92 92 THR N N 15 115.558 0.2 . 1 . . . . 115 THR N . 26922 1 450 . 1 1 93 93 LYS H H 1 8.33 0.02 . 1 . . . . 116 LYS HN . 26922 1 451 . 1 1 93 93 LYS HA H 1 4.267 0.02 . 1 . . . . 116 LYS HA . 26922 1 452 . 1 1 93 93 LYS C C 13 176.086 0.2 . 1 . . . . 116 LYS C . 26922 1 453 . 1 1 93 93 LYS CA C 13 56.284 0.2 . 1 . . . . 116 LYS CA . 26922 1 454 . 1 1 93 93 LYS CB C 13 32.91 0.2 . 1 . . . . 116 LYS CB . 26922 1 455 . 1 1 93 93 LYS N N 15 125.012 0.2 . 1 . . . . 116 LYS N . 26922 1 456 . 1 1 94 94 VAL H H 1 8.05 0.02 . 1 . . . . 117 VAL HN . 26922 1 457 . 1 1 94 94 VAL HA H 1 4.018 0.02 . 1 . . . . 117 VAL HA . 26922 1 458 . 1 1 94 94 VAL C C 13 175.421 0.2 . 1 . . . . 117 VAL C . 26922 1 459 . 1 1 94 94 VAL CA C 13 61.802 0.2 . 1 . . . . 117 VAL CA . 26922 1 460 . 1 1 94 94 VAL CB C 13 32.998 0.2 . 1 . . . . 117 VAL CB . 26922 1 461 . 1 1 94 94 VAL N N 15 121.833 0.2 . 1 . . . . 117 VAL N . 26922 1 462 . 1 1 95 95 ALA H H 1 8.306 0.02 . 1 . . . . 118 ALA HN . 26922 1 463 . 1 1 95 95 ALA HA H 1 4.296 0.02 . 1 . . . . 118 ALA HA . 26922 1 464 . 1 1 95 95 ALA C C 13 177.124 0.2 . 1 . . . . 118 ALA C . 26922 1 465 . 1 1 95 95 ALA CA C 13 52.208 0.2 . 1 . . . . 118 ALA CA . 26922 1 466 . 1 1 95 95 ALA CB C 13 19.476 0.2 . 1 . . . . 118 ALA CB . 26922 1 467 . 1 1 95 95 ALA N N 15 128.398 0.2 . 1 . . . . 118 ALA N . 26922 1 468 . 1 1 96 96 ARG H H 1 8.281 0.02 . 1 . . . . 119 ARG HN . 26922 1 469 . 1 1 96 96 ARG HA H 1 4.591 0.02 . 1 . . . . 119 ARG HA . 26922 1 470 . 1 1 96 96 ARG C C 13 174.18 0.2 . 1 . . . . 119 ARG C . 26922 1 471 . 1 1 96 96 ARG CA C 13 53.788 0.2 . 1 . . . . 119 ARG CA . 26922 1 472 . 1 1 96 96 ARG N N 15 122.167 0.2 . 1 . . . . 119 ARG N . 26922 1 473 . 1 1 97 97 PRO HA H 1 4.369 0.02 . 1 . . . . 120 PRO HA . 26922 1 474 . 1 1 97 97 PRO C C 13 176.723 0.2 . 1 . . . . 120 PRO C . 26922 1 475 . 1 1 97 97 PRO CA C 13 62.972 0.2 . 1 . . . . 120 PRO CA . 26922 1 476 . 1 1 97 97 PRO CB C 13 32.407 0.2 . 1 . . . . 120 PRO CB . 26922 1 477 . 1 1 98 98 LYS H H 1 8.442 0.02 . 1 . . . . 121 LYS HN . 26922 1 478 . 1 1 98 98 LYS HA H 1 4.193 0.02 . 1 . . . . 121 LYS HA . 26922 1 479 . 1 1 98 98 LYS CA C 13 56.673 0.2 . 1 . . . . 121 LYS CA . 26922 1 480 . 1 1 98 98 LYS N N 15 122.095 0.2 . 1 . . . . 121 LYS N . 26922 1 481 . 1 1 99 99 GLN H H 1 8.447 0.02 . 1 . . . . 122 GLN HN . 26922 1 482 . 1 1 99 99 GLN HA H 1 4.377 0.02 . 1 . . . . 122 GLN HA . 26922 1 483 . 1 1 99 99 GLN HE21 H 1 7.589 0.02 . 1 . . . . 122 GLN HE21 . 26922 1 484 . 1 1 99 99 GLN HE22 H 1 6.856 0.02 . 1 . . . . 122 GLN HE22 . 26922 1 485 . 1 1 99 99 GLN C C 13 175.031 0.2 . 1 . . . . 122 GLN C . 26922 1 486 . 1 1 99 99 GLN CA C 13 55.91 0.2 . 1 . . . . 122 GLN CA . 26922 1 487 . 1 1 99 99 GLN CB C 13 29.894 0.2 . 1 . . . . 122 GLN CB . 26922 1 488 . 1 1 99 99 GLN N N 15 122.515 0.2 . 1 . . . . 122 GLN N . 26922 1 489 . 1 1 99 99 GLN NE2 N 15 112.838 0.2 . 1 . . . . 122 GLN NE2 . 26922 1 490 . 1 1 100 100 SER H H 1 8.008 0.02 . 1 . . . . 123 SER HN . 26922 1 491 . 1 1 100 100 SER HA H 1 4.193 0.02 . 1 . . . . 123 SER HA . 26922 1 492 . 1 1 100 100 SER C C 13 178.632 0.2 . 1 . . . . 123 SER C . 26922 1 493 . 1 1 100 100 SER CA C 13 60.084 0.2 . 1 . . . . 123 SER CA . 26922 1 494 . 1 1 100 100 SER N N 15 123.174 0.2 . 1 . . . . 123 SER N . 26922 1 stop_ save_