data_31260 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31260 _Entry.Title ; NMR structure of slow skeletal Myosin Binding Protein-C M-domain tri-helix bundle ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-07-04 _Entry.Accession_date 2025-07-04 _Entry.Last_release_date 2025-08-29 _Entry.Original_release_date 2025-08-29 _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 NMR' _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 A. Iyer A. . . . 31260 2 N. Wright N. T. . . 31260 3 A. Kontrogianni-Konstantopoulos A. . . . 31260 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 31260 'contractility regulator' . 31260 'myosin binding-partner' . 31260 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31260 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 113 31260 '15N chemical shifts' 37 31260 '1H chemical shifts' 240 31260 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 . . 2026-05-07 . original BMRB . 31260 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9PFE 'BMRB Entry Tracking System' 31260 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31260 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and biochemical alterations in the MYBPC1 M-domain underlie Myotrem pathogenicity ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Iyer A. . . . 31260 1 2 N. Wright N. T. . . 31260 1 3 M. Cook M. E. . . 31260 1 4 Y. Takagi Y. . . . 31260 1 5 B. Johnson B. A. . . 31260 1 6 V. Biancalana V. . . . 31260 1 7 M. Massier M. . . . 31260 1 8 M. Spodenkiewicz M. . . . 31260 1 9 C. Poirsier C. . . . 31260 1 10 B. Vallecillo B. . . . 31260 1 11 F. Boyer F. C. . . 31260 1 12 C. Pineau C. . . . 31260 1 13 L. Hensley L. . . . 31260 1 14 J. Sellers J. R. . . 31260 1 15 K. Varney K. M. . . 31260 1 16 D. Weber D. J. . . 31260 1 17 A. Kontrigianni-Konstantopoulos A. . . . 31260 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31260 _Assembly.ID 1 _Assembly.Name 'Isoform 4 of Myosin-binding protein C, slow-type' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 31260 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31260 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPQVDVWELLKNAKPSEYEK IAFQYGITDLRGMLKRLKRM RREEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5507.521 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first methionine is an initiating methionine that is not part of the native sMyBP-C sequence; it was necessary for recombinant expression of the protein. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID C-protein common 31260 1 'Slow MyBP-C' common 31260 1 'skeletal muscle slow isoform' common 31260 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 1 230 MET . 31260 1 2 231 PRO . 31260 1 3 232 GLN . 31260 1 4 233 VAL . 31260 1 5 234 ASP . 31260 1 6 235 VAL . 31260 1 7 236 TRP . 31260 1 8 237 GLU . 31260 1 9 238 LEU . 31260 1 10 239 LEU . 31260 1 11 240 LYS . 31260 1 12 241 ASN . 31260 1 13 242 ALA . 31260 1 14 243 LYS . 31260 1 15 244 PRO . 31260 1 16 245 SER . 31260 1 17 246 GLU . 31260 1 18 247 TYR . 31260 1 19 248 GLU . 31260 1 20 249 LYS . 31260 1 21 250 ILE . 31260 1 22 251 ALA . 31260 1 23 252 PHE . 31260 1 24 253 GLN . 31260 1 25 254 TYR . 31260 1 26 255 GLY . 31260 1 27 256 ILE . 31260 1 28 257 THR . 31260 1 29 258 ASP . 31260 1 30 259 LEU . 31260 1 31 260 ARG . 31260 1 32 261 GLY . 31260 1 33 262 MET . 31260 1 34 263 LEU . 31260 1 35 264 LYS . 31260 1 36 265 ARG . 31260 1 37 266 LEU . 31260 1 38 267 LYS . 31260 1 39 268 ARG . 31260 1 40 269 MET . 31260 1 41 270 ARG . 31260 1 42 271 ARG . 31260 1 43 272 GLU . 31260 1 44 273 GLU . 31260 1 45 274 LYS . 31260 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 31260 1 . PRO 2 2 31260 1 . GLN 3 3 31260 1 . VAL 4 4 31260 1 . ASP 5 5 31260 1 . VAL 6 6 31260 1 . TRP 7 7 31260 1 . GLU 8 8 31260 1 . LEU 9 9 31260 1 . LEU 10 10 31260 1 . LYS 11 11 31260 1 . ASN 12 12 31260 1 . ALA 13 13 31260 1 . LYS 14 14 31260 1 . PRO 15 15 31260 1 . SER 16 16 31260 1 . GLU 17 17 31260 1 . TYR 18 18 31260 1 . GLU 19 19 31260 1 . LYS 20 20 31260 1 . ILE 21 21 31260 1 . ALA 22 22 31260 1 . PHE 23 23 31260 1 . GLN 24 24 31260 1 . TYR 25 25 31260 1 . GLY 26 26 31260 1 . ILE 27 27 31260 1 . THR 28 28 31260 1 . ASP 29 29 31260 1 . LEU 30 30 31260 1 . ARG 31 31 31260 1 . GLY 32 32 31260 1 . MET 33 33 31260 1 . LEU 34 34 31260 1 . LYS 35 35 31260 1 . ARG 36 36 31260 1 . LEU 37 37 31260 1 . LYS 38 38 31260 1 . ARG 39 39 31260 1 . MET 40 40 31260 1 . ARG 41 41 31260 1 . ARG 42 42 31260 1 . GLU 43 43 31260 1 . GLU 44 44 31260 1 . LYS 45 45 31260 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 31260 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'MYBPC1, MYBPCS' . 31260 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 31260 _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' . . 562 Escherichia coli . . . . . . . . . . 31260 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31260 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2 mM [U-15N] M-domain tri-helix bundle of slow skeletal MyBP-C, 20 mM d-11 TRIS, 50 mM sodium chloride, 350 uM sodium azide, 10 % D2O, 90% H2O/10% D2O ; _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 'M-domain tri-helix bundle of slow skeletal MyBP-C' [U-15N] . . 1 $entity_1 . . 2 . . mM . . . . 31260 1 2 TRIS d-11 . . . . . . 20 . . mM . . . . 31260 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31260 1 4 'sodium azide' 'natural abundance' . . . . . . 350 . . uM . . . . 31260 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 31260 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31260 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2 mM [U-13C; U-15N] M-domain tri-helix bundle of slow skeletal MyBP-C, 20 mM d-11 TRIS, 50 mM sodium chloride, 350 uM sodium azide, 10 % D20, 90% H2O/10% D2O ; _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 'M-domain tri-helix bundle of slow skeletal MyBP-C' '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . mM . . . . 31260 2 2 TRIS d-11 . . . . . . 20 . . mM . . . . 31260 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31260 2 4 'sodium azide' 'natural abundance' . . . . . . 350 . . uM . . . . 31260 2 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 31260 2 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 31260 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 70 . mM 31260 1 pH 7.5 . pH 31260 1 pressure 1 . atm 31260 1 temperature 289 . K 31260 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31260 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 70 . mM 31260 2 pH 7.5 . pH 31260 2 pressure 1 . atm 31260 2 temperature 289 . K 31260 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31260 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, and Markley' . . 31260 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31260 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31260 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31260 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31260 2 'structure calculation' . 31260 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31260 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 31260 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31260 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31260 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'room temperature TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 31260 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 31260 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 31260 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 3 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 4 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 6 '3D C(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31260 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 31260 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 31260 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31260 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31260 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 31260 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 31260 1 2 '3D CBCA(CO)NH' . . . 31260 1 3 '3D HNCACB' . . . 31260 1 4 '3D HNCO' . . . 31260 1 5 '3D H(CCO)NH' . . . 31260 1 6 '3D C(CO)NH' . . . 31260 1 7 '3D 1H-15N NOESY' . . . 31260 1 8 '3D 1H-13C NOESY' . . . 31260 1 9 '3D 1H-15N TOCSY' . . . 31260 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 2 2 PRO C C 13 176.7 0.1 . 1 . . . . A 231 PRO C . 31260 1 2 . 1 . 1 2 2 PRO CA C 13 62.73 0.1 . 1 . . . . A 231 PRO CA . 31260 1 3 . 1 . 1 2 2 PRO CB C 13 32.33 0.1 . 1 . . . . A 231 PRO CB . 31260 1 4 . 1 . 1 3 3 GLN H H 1 8.61 0.02 . 1 . . . . A 232 GLN H . 31260 1 5 . 1 . 1 3 3 GLN HA H 1 4.34 0.02 . 1 . . . . A 232 GLN HA . 31260 1 6 . 1 . 1 3 3 GLN HB2 H 1 1.97 0.02 . 2 . . . . A 232 GLN HB2 . 31260 1 7 . 1 . 1 3 3 GLN HB3 H 1 1.97 0.02 . 2 . . . . A 232 GLN HB3 . 31260 1 8 . 1 . 1 3 3 GLN HG2 H 1 2.39 0.02 . 2 . . . . A 232 GLN HG2 . 31260 1 9 . 1 . 1 3 3 GLN HG3 H 1 2.39 0.02 . 2 . . . . A 232 GLN HG3 . 31260 1 10 . 1 . 1 3 3 GLN HE21 H 1 6.92 0.02 . 2 . . . . A 232 GLN HE21 . 31260 1 11 . 1 . 1 3 3 GLN HE22 H 1 7.64 0.02 . 2 . . . . A 232 GLN HE22 . 31260 1 12 . 1 . 1 3 3 GLN C C 13 177 0.1 . 1 . . . . A 232 GLN C . 31260 1 13 . 1 . 1 3 3 GLN CA C 13 55.03 0.1 . 1 . . . . A 232 GLN CA . 31260 1 14 . 1 . 1 3 3 GLN CB C 13 29.53 0.1 . 1 . . . . A 232 GLN CB . 31260 1 15 . 1 . 1 3 3 GLN N N 15 121.3 0.1 . 1 . . . . A 232 GLN N . 31260 1 16 . 1 . 1 3 3 GLN NE2 N 15 113.3 0.1 . 1 . . . . A 232 GLN NE2 . 31260 1 17 . 1 . 1 4 4 VAL H H 1 8.23 0.02 . 1 . . . . A 233 VAL H . 31260 1 18 . 1 . 1 4 4 VAL HA H 1 4.01 0.02 . 1 . . . . A 233 VAL HA . 31260 1 19 . 1 . 1 4 4 VAL HB H 1 2 0.02 . 1 . . . . A 233 VAL HB . 31260 1 20 . 1 . 1 4 4 VAL HG11 H 1 0.87 0.02 . 2 . . . . A 233 VAL HG11 . 31260 1 21 . 1 . 1 4 4 VAL HG12 H 1 0.87 0.02 . 2 . . . . A 233 VAL HG12 . 31260 1 22 . 1 . 1 4 4 VAL HG13 H 1 0.87 0.02 . 2 . . . . A 233 VAL HG13 . 31260 1 23 . 1 . 1 4 4 VAL HG21 H 1 0.87 0.02 . 2 . . . . A 233 VAL HG21 . 31260 1 24 . 1 . 1 4 4 VAL HG22 H 1 0.87 0.02 . 2 . . . . A 233 VAL HG22 . 31260 1 25 . 1 . 1 4 4 VAL HG23 H 1 0.87 0.02 . 2 . . . . A 233 VAL HG23 . 31260 1 26 . 1 . 1 4 4 VAL C C 13 175.16 0.1 . 1 . . . . A 233 VAL C . 31260 1 27 . 1 . 1 4 4 VAL CA C 13 61.86 0.1 . 1 . . . . A 233 VAL CA . 31260 1 28 . 1 . 1 4 4 VAL CB C 13 33.28 0.1 . 1 . . . . A 233 VAL CB . 31260 1 29 . 1 . 1 4 4 VAL N N 15 121.9 0.1 . 1 . . . . A 233 VAL N . 31260 1 30 . 1 . 1 5 5 ASP H H 1 8.47 0.02 . 1 . . . . A 234 ASP H . 31260 1 31 . 1 . 1 5 5 ASP HA H 1 4.62 0.02 . 1 . . . . A 234 ASP HA . 31260 1 32 . 1 . 1 5 5 ASP HB2 H 1 2.61 0.02 . 2 . . . . A 234 ASP HB2 . 31260 1 33 . 1 . 1 5 5 ASP HB3 H 1 2.8 0.02 . 2 . . . . A 234 ASP HB3 . 31260 1 34 . 1 . 1 5 5 ASP C C 13 176.66 0.1 . 1 . . . . A 234 ASP C . 31260 1 35 . 1 . 1 5 5 ASP CA C 13 52.8 0.1 . 1 . . . . A 234 ASP CA . 31260 1 36 . 1 . 1 5 5 ASP CB C 13 41.29 0.1 . 1 . . . . A 234 ASP CB . 31260 1 37 . 1 . 1 5 5 ASP N N 15 124.9 0.1 . 1 . . . . A 234 ASP N . 31260 1 38 . 1 . 1 6 6 VAL H H 1 8.27 0.02 . 1 . . . . A 235 VAL H . 31260 1 39 . 1 . 1 6 6 VAL HA H 1 3.25 0.02 . 1 . . . . A 235 VAL HA . 31260 1 40 . 1 . 1 6 6 VAL HB H 1 1.99 0.02 . 1 . . . . A 235 VAL HB . 31260 1 41 . 1 . 1 6 6 VAL HG11 H 1 0.31 0.02 . 2 . . . . A 235 VAL HG11 . 31260 1 42 . 1 . 1 6 6 VAL HG12 H 1 0.31 0.02 . 2 . . . . A 235 VAL HG12 . 31260 1 43 . 1 . 1 6 6 VAL HG13 H 1 0.31 0.02 . 2 . . . . A 235 VAL HG13 . 31260 1 44 . 1 . 1 6 6 VAL HG21 H 1 0.31 0.02 . 2 . . . . A 235 VAL HG21 . 31260 1 45 . 1 . 1 6 6 VAL HG22 H 1 0.31 0.02 . 2 . . . . A 235 VAL HG22 . 31260 1 46 . 1 . 1 6 6 VAL HG23 H 1 0.31 0.02 . 2 . . . . A 235 VAL HG23 . 31260 1 47 . 1 . 1 6 6 VAL C C 13 175.58 0.1 . 1 . . . . A 235 VAL C . 31260 1 48 . 1 . 1 6 6 VAL CA C 13 64.14 0.1 . 1 . . . . A 235 VAL CA . 31260 1 49 . 1 . 1 6 6 VAL CB C 13 31.05 0.1 . 1 . . . . A 235 VAL CB . 31260 1 50 . 1 . 1 6 6 VAL N N 15 124.5 0.1 . 1 . . . . A 235 VAL N . 31260 1 51 . 1 . 1 7 7 TRP H H 1 7.64 0.02 . 1 . . . . A 236 TRP H . 31260 1 52 . 1 . 1 7 7 TRP HA H 1 4.17 0.02 . 1 . . . . A 236 TRP HA . 31260 1 53 . 1 . 1 7 7 TRP HB2 H 1 3.23 0.02 . 2 . . . . A 236 TRP HB2 . 31260 1 54 . 1 . 1 7 7 TRP HB3 H 1 3.23 0.02 . 2 . . . . A 236 TRP HB3 . 31260 1 55 . 1 . 1 7 7 TRP C C 13 178.06 0.1 . 1 . . . . A 236 TRP C . 31260 1 56 . 1 . 1 7 7 TRP CA C 13 59.5 0.1 . 1 . . . . A 236 TRP CA . 31260 1 57 . 1 . 1 7 7 TRP CB C 13 28.63 0.1 . 1 . . . . A 236 TRP CB . 31260 1 58 . 1 . 1 7 7 TRP N N 15 121.4 0.1 . 1 . . . . A 236 TRP N . 31260 1 59 . 1 . 1 7 7 TRP NE1 N 15 128.9 0.1 . 1 . . . . A 236 TRP NE1 . 31260 1 60 . 1 . 1 8 8 GLU H H 1 7.56 0.02 . 1 . . . . A 237 GLU H . 31260 1 61 . 1 . 1 8 8 GLU HA H 1 3.88 0.02 . 1 . . . . A 237 GLU HA . 31260 1 62 . 1 . 1 8 8 GLU HB2 H 1 2.02 0.02 . 2 . . . . A 237 GLU HB2 . 31260 1 63 . 1 . 1 8 8 GLU HB3 H 1 2.02 0.02 . 2 . . . . A 237 GLU HB3 . 31260 1 64 . 1 . 1 8 8 GLU HG2 H 1 2.26 0.02 . 2 . . . . A 237 GLU HG2 . 31260 1 65 . 1 . 1 8 8 GLU HG3 H 1 2.26 0.02 . 2 . . . . A 237 GLU HG3 . 31260 1 66 . 1 . 1 8 8 GLU C C 13 178.71 0.1 . 1 . . . . A 237 GLU C . 31260 1 67 . 1 . 1 8 8 GLU CA C 13 57.91 0.1 . 1 . . . . A 237 GLU CA . 31260 1 68 . 1 . 1 8 8 GLU CB C 13 29.33 0.1 . 1 . . . . A 237 GLU CB . 31260 1 69 . 1 . 1 8 8 GLU N N 15 118.8 0.1 . 1 . . . . A 237 GLU N . 31260 1 70 . 1 . 1 9 9 LEU H H 1 7.43 0.02 . 1 . . . . A 238 LEU H . 31260 1 71 . 1 . 1 9 9 LEU HA H 1 4.01 0.02 . 1 . . . . A 238 LEU HA . 31260 1 72 . 1 . 1 9 9 LEU HB2 H 1 2.61 0.02 . 2 . . . . A 238 LEU HB2 . 31260 1 73 . 1 . 1 9 9 LEU HB3 H 1 2.8 0.02 . 2 . . . . A 238 LEU HB3 . 31260 1 74 . 1 . 1 9 9 LEU HG H 1 1.4 0.02 . 1 . . . . A 238 LEU HG . 31260 1 75 . 1 . 1 9 9 LEU HD11 H 1 0.74 0.02 . 2 . . . . A 238 LEU HD11 . 31260 1 76 . 1 . 1 9 9 LEU HD12 H 1 0.74 0.02 . 2 . . . . A 238 LEU HD12 . 31260 1 77 . 1 . 1 9 9 LEU HD13 H 1 0.74 0.02 . 2 . . . . A 238 LEU HD13 . 31260 1 78 . 1 . 1 9 9 LEU HD21 H 1 0.74 0.02 . 2 . . . . A 238 LEU HD21 . 31260 1 79 . 1 . 1 9 9 LEU HD22 H 1 0.74 0.02 . 2 . . . . A 238 LEU HD22 . 31260 1 80 . 1 . 1 9 9 LEU HD23 H 1 0.74 0.02 . 2 . . . . A 238 LEU HD23 . 31260 1 81 . 1 . 1 9 9 LEU C C 13 174.78 0.1 . 1 . . . . A 238 LEU C . 31260 1 82 . 1 . 1 9 9 LEU CA C 13 56.73 0.1 . 1 . . . . A 238 LEU CA . 31260 1 83 . 1 . 1 9 9 LEU CB C 13 42.08 0.1 . 1 . . . . A 238 LEU CB . 31260 1 84 . 1 . 1 9 9 LEU N N 15 118.4 0.1 . 1 . . . . A 238 LEU N . 31260 1 85 . 1 . 1 10 10 LEU H H 1 8.19 0.02 . 1 . . . . A 239 LEU H . 31260 1 86 . 1 . 1 10 10 LEU HA H 1 3.88 0.02 . 1 . . . . A 239 LEU HA . 31260 1 87 . 1 . 1 10 10 LEU HB2 H 1 1.65 0.02 . 2 . . . . A 239 LEU HB2 . 31260 1 88 . 1 . 1 10 10 LEU HB3 H 1 1.65 0.02 . 2 . . . . A 239 LEU HB3 . 31260 1 89 . 1 . 1 10 10 LEU HG H 1 1.51 0.02 . 1 . . . . A 239 LEU HG . 31260 1 90 . 1 . 1 10 10 LEU HD11 H 1 1.14 0.02 . 2 . . . . A 239 LEU HD11 . 31260 1 91 . 1 . 1 10 10 LEU HD12 H 1 1.14 0.02 . 2 . . . . A 239 LEU HD12 . 31260 1 92 . 1 . 1 10 10 LEU HD13 H 1 1.14 0.02 . 2 . . . . A 239 LEU HD13 . 31260 1 93 . 1 . 1 10 10 LEU HD21 H 1 1.14 0.02 . 2 . . . . A 239 LEU HD21 . 31260 1 94 . 1 . 1 10 10 LEU HD22 H 1 1.14 0.02 . 2 . . . . A 239 LEU HD22 . 31260 1 95 . 1 . 1 10 10 LEU HD23 H 1 1.14 0.02 . 2 . . . . A 239 LEU HD23 . 31260 1 96 . 1 . 1 10 10 LEU C C 13 178.38 0.1 . 1 . . . . A 239 LEU C . 31260 1 97 . 1 . 1 10 10 LEU CA C 13 56.97 0.1 . 1 . . . . A 239 LEU CA . 31260 1 98 . 1 . 1 10 10 LEU CB C 13 42.18 0.1 . 1 . . . . A 239 LEU CB . 31260 1 99 . 1 . 1 10 10 LEU N N 15 118.3 0.1 . 1 . . . . A 239 LEU N . 31260 1 100 . 1 . 1 11 11 LYS H H 1 8.01 0.02 . 1 . . . . A 240 LYS H . 31260 1 101 . 1 . 1 11 11 LYS HA H 1 3.77 0.02 . 1 . . . . A 240 LYS HA . 31260 1 102 . 1 . 1 11 11 LYS HB2 H 1 1.67 0.02 . 2 . . . . A 240 LYS HB2 . 31260 1 103 . 1 . 1 11 11 LYS HB3 H 1 1.67 0.02 . 2 . . . . A 240 LYS HB3 . 31260 1 104 . 1 . 1 11 11 LYS HG2 H 1 1.44 0.02 . 2 . . . . A 240 LYS HG2 . 31260 1 105 . 1 . 1 11 11 LYS HG3 H 1 1.44 0.02 . 2 . . . . A 240 LYS HG3 . 31260 1 106 . 1 . 1 11 11 LYS HD2 H 1 1.91 0.02 . 2 . . . . A 240 LYS HD2 . 31260 1 107 . 1 . 1 11 11 LYS HD3 H 1 1.91 0.02 . 2 . . . . A 240 LYS HD3 . 31260 1 108 . 1 . 1 11 11 LYS HE2 H 1 3.05 0.02 . 2 . . . . A 240 LYS HE2 . 31260 1 109 . 1 . 1 11 11 LYS HE3 H 1 3.05 0.02 . 2 . . . . A 240 LYS HE3 . 31260 1 110 . 1 . 1 11 11 LYS C C 13 177.11 0.1 . 1 . . . . A 240 LYS C . 31260 1 111 . 1 . 1 11 11 LYS CA C 13 59.01 0.1 . 1 . . . . A 240 LYS CA . 31260 1 112 . 1 . 1 11 11 LYS CB C 13 32.31 0.1 . 1 . . . . A 240 LYS CB . 31260 1 113 . 1 . 1 11 11 LYS N N 15 118.6 0.1 . 1 . . . . A 240 LYS N . 31260 1 114 . 1 . 1 12 12 ASN H H 1 7.28 0.02 . 1 . . . . A 241 ASN H . 31260 1 115 . 1 . 1 12 12 ASN HA H 1 4.87 0.02 . 1 . . . . A 241 ASN HA . 31260 1 116 . 1 . 1 12 12 ASN HB2 H 1 2.92 0.02 . 2 . . . . A 241 ASN HB2 . 31260 1 117 . 1 . 1 12 12 ASN HB3 H 1 2.61 0.02 . 2 . . . . A 241 ASN HB3 . 31260 1 118 . 1 . 1 12 12 ASN C C 13 174.38 0.1 . 1 . . . . A 241 ASN C . 31260 1 119 . 1 . 1 12 12 ASN CA C 13 52.69 0.1 . 1 . . . . A 241 ASN CA . 31260 1 120 . 1 . 1 12 12 ASN CB C 13 40.08 0.1 . 1 . . . . A 241 ASN CB . 31260 1 121 . 1 . 1 12 12 ASN N N 15 113.6 0.1 . 1 . . . . A 241 ASN N . 31260 1 122 . 1 . 1 13 13 ALA H H 1 7.44 0.02 . 1 . . . . A 242 ALA H . 31260 1 123 . 1 . 1 13 13 ALA HA H 1 4.45 0.02 . 1 . . . . A 242 ALA HA . 31260 1 124 . 1 . 1 13 13 ALA HB1 H 1 1.55 0.02 . 1 . . . . A 242 ALA HB1 . 31260 1 125 . 1 . 1 13 13 ALA HB2 H 1 1.55 0.02 . 1 . . . . A 242 ALA HB2 . 31260 1 126 . 1 . 1 13 13 ALA HB3 H 1 1.55 0.02 . 1 . . . . A 242 ALA HB3 . 31260 1 127 . 1 . 1 13 13 ALA C C 13 177.52 0.1 . 1 . . . . A 242 ALA C . 31260 1 128 . 1 . 1 13 13 ALA CA C 13 51.18 0.1 . 1 . . . . A 242 ALA CA . 31260 1 129 . 1 . 1 13 13 ALA CB C 13 20.54 0.1 . 1 . . . . A 242 ALA CB . 31260 1 130 . 1 . 1 13 13 ALA N N 15 123.8 0.1 . 1 . . . . A 242 ALA N . 31260 1 131 . 1 . 1 14 14 LYS H H 1 8.66 0.02 . 1 . . . . A 243 LYS H . 31260 1 132 . 1 . 1 14 14 LYS HA H 1 4.58 0.02 . 1 . . . . A 243 LYS HA . 31260 1 133 . 1 . 1 14 14 LYS HB2 H 1 1.88 0.02 . 2 . . . . A 243 LYS HB2 . 31260 1 134 . 1 . 1 14 14 LYS HB3 H 1 1.88 0.02 . 2 . . . . A 243 LYS HB3 . 31260 1 135 . 1 . 1 14 14 LYS C C 13 177.53 0.1 . 1 . . . . A 243 LYS C . 31260 1 136 . 1 . 1 14 14 LYS CA C 13 52.91 0.1 . 1 . . . . A 243 LYS CA . 31260 1 137 . 1 . 1 14 14 LYS N N 15 121.5 0.1 . 1 . . . . A 243 LYS N . 31260 1 138 . 1 . 1 16 16 SER C C 13 177.57 0.1 . 1 . . . . A 245 SER C . 31260 1 139 . 1 . 1 16 16 SER CA C 13 51.99 0.1 . 1 . . . . A 245 SER CA . 31260 1 140 . 1 . 1 16 16 SER CB C 13 77.39 0.1 . 1 . . . . A 245 SER CB . 31260 1 141 . 1 . 1 17 17 GLU H H 1 8.19 0.02 . 1 . . . . A 246 GLU H . 31260 1 142 . 1 . 1 17 17 GLU HA H 1 4.26 0.02 . 1 . . . . A 246 GLU HA . 31260 1 143 . 1 . 1 17 17 GLU HB2 H 1 2 0.02 . 2 . . . . A 246 GLU HB2 . 31260 1 144 . 1 . 1 17 17 GLU HB3 H 1 2 0.02 . 2 . . . . A 246 GLU HB3 . 31260 1 145 . 1 . 1 17 17 GLU HG2 H 1 2.3 0.02 . 2 . . . . A 246 GLU HG2 . 31260 1 146 . 1 . 1 17 17 GLU HG3 H 1 2.3 0.02 . 2 . . . . A 246 GLU HG3 . 31260 1 147 . 1 . 1 17 17 GLU C C 13 176.4 0.1 . 1 . . . . A 246 GLU C . 31260 1 148 . 1 . 1 17 17 GLU CA C 13 56.19 0.1 . 1 . . . . A 246 GLU CA . 31260 1 149 . 1 . 1 17 17 GLU CB C 13 30.32 0.1 . 1 . . . . A 246 GLU CB . 31260 1 150 . 1 . 1 17 17 GLU N N 15 120.8 0.1 . 1 . . . . A 246 GLU N . 31260 1 151 . 1 . 1 18 18 TYR H H 1 7.33 0.02 . 1 . . . . A 247 TYR H . 31260 1 152 . 1 . 1 18 18 TYR HA H 1 4.21 0.02 . 1 . . . . A 247 TYR HA . 31260 1 153 . 1 . 1 18 18 TYR HB2 H 1 3.02 0.02 . 2 . . . . A 247 TYR HB2 . 31260 1 154 . 1 . 1 18 18 TYR HB3 H 1 3.18 0.02 . 2 . . . . A 247 TYR HB3 . 31260 1 155 . 1 . 1 18 18 TYR C C 13 177.56 0.1 . 1 . . . . A 247 TYR C . 31260 1 156 . 1 . 1 18 18 TYR CA C 13 58.18 0.1 . 1 . . . . A 247 TYR CA . 31260 1 157 . 1 . 1 18 18 TYR CB C 13 36.97 0.1 . 1 . . . . A 247 TYR CB . 31260 1 158 . 1 . 1 18 18 TYR N N 15 117.9 0.1 . 1 . . . . A 247 TYR N . 31260 1 159 . 1 . 1 19 19 GLU H H 1 8.74 0.02 . 1 . . . . A 248 GLU H . 31260 1 160 . 1 . 1 19 19 GLU HA H 1 3.89 0.02 . 1 . . . . A 248 GLU HA . 31260 1 161 . 1 . 1 19 19 GLU HB2 H 1 2.01 0.02 . 2 . . . . A 248 GLU HB2 . 31260 1 162 . 1 . 1 19 19 GLU HB3 H 1 2.01 0.02 . 2 . . . . A 248 GLU HB3 . 31260 1 163 . 1 . 1 19 19 GLU HG2 H 1 2.27 0.02 . 2 . . . . A 248 GLU HG2 . 31260 1 164 . 1 . 1 19 19 GLU HG3 H 1 2.27 0.02 . 2 . . . . A 248 GLU HG3 . 31260 1 165 . 1 . 1 19 19 GLU C C 13 178.78 0.1 . 1 . . . . A 248 GLU C . 31260 1 166 . 1 . 1 19 19 GLU CA C 13 59.98 0.1 . 1 . . . . A 248 GLU CA . 31260 1 167 . 1 . 1 19 19 GLU CB C 13 28.91 0.1 . 1 . . . . A 248 GLU CB . 31260 1 168 . 1 . 1 19 19 GLU N N 15 117 0.1 . 1 . . . . A 248 GLU N . 31260 1 169 . 1 . 1 20 20 LYS H H 1 8.03 0.02 . 1 . . . . A 249 LYS H . 31260 1 170 . 1 . 1 20 20 LYS HA H 1 4.16 0.02 . 1 . . . . A 249 LYS HA . 31260 1 171 . 1 . 1 20 20 LYS HB2 H 1 1.58 0.02 . 2 . . . . A 249 LYS HB2 . 31260 1 172 . 1 . 1 20 20 LYS HB3 H 1 1.58 0.02 . 2 . . . . A 249 LYS HB3 . 31260 1 173 . 1 . 1 20 20 LYS HG2 H 1 1.38 0.02 . 2 . . . . A 249 LYS HG2 . 31260 1 174 . 1 . 1 20 20 LYS HG3 H 1 1.38 0.02 . 2 . . . . A 249 LYS HG3 . 31260 1 175 . 1 . 1 20 20 LYS HD2 H 1 1.86 0.02 . 2 . . . . A 249 LYS HD2 . 31260 1 176 . 1 . 1 20 20 LYS HD3 H 1 1.86 0.02 . 2 . . . . A 249 LYS HD3 . 31260 1 177 . 1 . 1 20 20 LYS HE2 H 1 3.05 0.02 . 2 . . . . A 249 LYS HE2 . 31260 1 178 . 1 . 1 20 20 LYS HE3 H 1 3.05 0.02 . 2 . . . . A 249 LYS HE3 . 31260 1 179 . 1 . 1 20 20 LYS C C 13 179.41 0.1 . 1 . . . . A 249 LYS C . 31260 1 180 . 1 . 1 20 20 LYS CA C 13 58.91 0.1 . 1 . . . . A 249 LYS CA . 31260 1 181 . 1 . 1 20 20 LYS CB C 13 32.26 0.1 . 1 . . . . A 249 LYS CB . 31260 1 182 . 1 . 1 20 20 LYS N N 15 121.2 0.1 . 1 . . . . A 249 LYS N . 31260 1 183 . 1 . 1 21 21 ILE H H 1 8.09 0.02 . 1 . . . . A 250 ILE H . 31260 1 184 . 1 . 1 21 21 ILE HA H 1 3.85 0.02 . 1 . . . . A 250 ILE HA . 31260 1 185 . 1 . 1 21 21 ILE HB H 1 1.84 0.02 . 1 . . . . A 250 ILE HB . 31260 1 186 . 1 . 1 21 21 ILE HG12 H 1 0.31 0.02 . 2 . . . . A 250 ILE HG12 . 31260 1 187 . 1 . 1 21 21 ILE HG13 H 1 0.31 0.02 . 2 . . . . A 250 ILE HG13 . 31260 1 188 . 1 . 1 21 21 ILE HG21 H 1 0.31 0.02 . 1 . . . . A 250 ILE HG21 . 31260 1 189 . 1 . 1 21 21 ILE HG22 H 1 0.31 0.02 . 1 . . . . A 250 ILE HG22 . 31260 1 190 . 1 . 1 21 21 ILE HG23 H 1 0.31 0.02 . 1 . . . . A 250 ILE HG23 . 31260 1 191 . 1 . 1 21 21 ILE HD11 H 1 0.78 0.02 . 1 . . . . A 250 ILE HD11 . 31260 1 192 . 1 . 1 21 21 ILE HD12 H 1 0.78 0.02 . 1 . . . . A 250 ILE HD12 . 31260 1 193 . 1 . 1 21 21 ILE HD13 H 1 0.78 0.02 . 1 . . . . A 250 ILE HD13 . 31260 1 194 . 1 . 1 21 21 ILE C C 13 177.76 0.1 . 1 . . . . A 250 ILE C . 31260 1 195 . 1 . 1 21 21 ILE CA C 13 64.83 0.1 . 1 . . . . A 250 ILE CA . 31260 1 196 . 1 . 1 21 21 ILE CB C 13 38.6 0.1 . 1 . . . . A 250 ILE CB . 31260 1 197 . 1 . 1 21 21 ILE N N 15 121.5 0.1 . 1 . . . . A 250 ILE N . 31260 1 198 . 1 . 1 22 22 ALA H H 1 8.59 0.02 . 1 . . . . A 251 ALA H . 31260 1 199 . 1 . 1 22 22 ALA HA H 1 3.87 0.02 . 1 . . . . A 251 ALA HA . 31260 1 200 . 1 . 1 22 22 ALA HB1 H 1 1.51 0.02 . 1 . . . . A 251 ALA HB1 . 31260 1 201 . 1 . 1 22 22 ALA HB2 H 1 1.51 0.02 . 1 . . . . A 251 ALA HB2 . 31260 1 202 . 1 . 1 22 22 ALA HB3 H 1 1.51 0.02 . 1 . . . . A 251 ALA HB3 . 31260 1 203 . 1 . 1 22 22 ALA C C 13 179.74 0.1 . 1 . . . . A 251 ALA C . 31260 1 204 . 1 . 1 22 22 ALA CA C 13 55.23 0.1 . 1 . . . . A 251 ALA CA . 31260 1 205 . 1 . 1 22 22 ALA CB C 13 18.33 0.1 . 1 . . . . A 251 ALA CB . 31260 1 206 . 1 . 1 22 22 ALA N N 15 120.8 0.1 . 1 . . . . A 251 ALA N . 31260 1 207 . 1 . 1 23 23 PHE H H 1 8.18 0.02 . 1 . . . . A 252 PHE H . 31260 1 208 . 1 . 1 23 23 PHE HA H 1 4.31 0.02 . 1 . . . . A 252 PHE HA . 31260 1 209 . 1 . 1 23 23 PHE HB2 H 1 3.16 0.02 . 2 . . . . A 252 PHE HB2 . 31260 1 210 . 1 . 1 23 23 PHE HB3 H 1 3.32 0.02 . 2 . . . . A 252 PHE HB3 . 31260 1 211 . 1 . 1 23 23 PHE HD1 H 1 7.29 0.02 . 3 . . . . A 252 PHE HD1 . 31260 1 212 . 1 . 1 23 23 PHE HD2 H 1 7.29 0.02 . 3 . . . . A 252 PHE HD2 . 31260 1 213 . 1 . 1 23 23 PHE C C 13 179.08 0.1 . 1 . . . . A 252 PHE C . 31260 1 214 . 1 . 1 23 23 PHE CA C 13 60.18 0.1 . 1 . . . . A 252 PHE CA . 31260 1 215 . 1 . 1 23 23 PHE CB C 13 39.02 0.1 . 1 . . . . A 252 PHE CB . 31260 1 216 . 1 . 1 23 23 PHE N N 15 116.9 0.1 . 1 . . . . A 252 PHE N . 31260 1 217 . 1 . 1 24 24 GLN H H 1 8.25 0.02 . 1 . . . . A 253 GLN H . 31260 1 218 . 1 . 1 24 24 GLN HA H 1 3.77 0.02 . 1 . . . . A 253 GLN HA . 31260 1 219 . 1 . 1 24 24 GLN HB2 H 1 1.89 0.02 . 2 . . . . A 253 GLN HB2 . 31260 1 220 . 1 . 1 24 24 GLN HB3 H 1 1.89 0.02 . 2 . . . . A 253 GLN HB3 . 31260 1 221 . 1 . 1 24 24 GLN HG2 H 1 2.21 0.02 . 2 . . . . A 253 GLN HG2 . 31260 1 222 . 1 . 1 24 24 GLN HG3 H 1 2.21 0.02 . 2 . . . . A 253 GLN HG3 . 31260 1 223 . 1 . 1 24 24 GLN C C 13 177.33 0.1 . 1 . . . . A 253 GLN C . 31260 1 224 . 1 . 1 24 24 GLN CA C 13 58.41 0.1 . 1 . . . . A 253 GLN CA . 31260 1 225 . 1 . 1 24 24 GLN CB C 13 28.49 0.1 . 1 . . . . A 253 GLN CB . 31260 1 226 . 1 . 1 24 24 GLN N N 15 120.3 0.1 . 1 . . . . A 253 GLN N . 31260 1 227 . 1 . 1 25 25 TYR H H 1 7.78 0.02 . 1 . . . . A 254 TYR H . 31260 1 228 . 1 . 1 25 25 TYR HA H 1 4.41 0.02 . 1 . . . . A 254 TYR HA . 31260 1 229 . 1 . 1 25 25 TYR HB2 H 1 3.28 0.02 . 2 . . . . A 254 TYR HB2 . 31260 1 230 . 1 . 1 25 25 TYR HB3 H 1 2.48 0.02 . 2 . . . . A 254 TYR HB3 . 31260 1 231 . 1 . 1 25 25 TYR C C 13 175.42 0.1 . 1 . . . . A 254 TYR C . 31260 1 232 . 1 . 1 25 25 TYR CA C 13 58.23 0.1 . 1 . . . . A 254 TYR CA . 31260 1 233 . 1 . 1 25 25 TYR CB C 13 38.37 0.1 . 1 . . . . A 254 TYR CB . 31260 1 234 . 1 . 1 25 25 TYR N N 15 113.9 0.1 . 1 . . . . A 254 TYR N . 31260 1 235 . 1 . 1 26 26 GLY H H 1 7.57 0.02 . 1 . . . . A 255 GLY H . 31260 1 236 . 1 . 1 26 26 GLY HA2 H 1 3.83 0.02 . 2 . . . . A 255 GLY HA2 . 31260 1 237 . 1 . 1 26 26 GLY HA3 H 1 3.83 0.02 . 2 . . . . A 255 GLY HA3 . 31260 1 238 . 1 . 1 26 26 GLY C C 13 174.8 0.1 . 1 . . . . A 255 GLY C . 31260 1 239 . 1 . 1 26 26 GLY CA C 13 46.47 0.1 . 1 . . . . A 255 GLY CA . 31260 1 240 . 1 . 1 26 26 GLY N N 15 125.8 0.1 . 1 . . . . A 255 GLY N . 31260 1 241 . 1 . 1 27 27 ILE H H 1 8.41 0.02 . 1 . . . . A 256 ILE H . 31260 1 242 . 1 . 1 27 27 ILE HA H 1 4.02 0.02 . 1 . . . . A 256 ILE HA . 31260 1 243 . 1 . 1 27 27 ILE HB H 1 1.73 0.02 . 1 . . . . A 256 ILE HB . 31260 1 244 . 1 . 1 27 27 ILE HD11 H 1 1.1 0.02 . 1 . . . . A 256 ILE HD11 . 31260 1 245 . 1 . 1 27 27 ILE HD12 H 1 1.1 0.02 . 1 . . . . A 256 ILE HD12 . 31260 1 246 . 1 . 1 27 27 ILE HD13 H 1 1.1 0.02 . 1 . . . . A 256 ILE HD13 . 31260 1 247 . 1 . 1 27 27 ILE C C 13 175.44 0.1 . 1 . . . . A 256 ILE C . 31260 1 248 . 1 . 1 27 27 ILE CA C 13 60.58 0.1 . 1 . . . . A 256 ILE CA . 31260 1 249 . 1 . 1 27 27 ILE CB C 13 37.93 0.1 . 1 . . . . A 256 ILE CB . 31260 1 250 . 1 . 1 27 27 ILE N N 15 121.2 0.1 . 1 . . . . A 256 ILE N . 31260 1 251 . 1 . 1 28 28 THR H H 1 8.42 0.02 . 1 . . . . A 257 THR H . 31260 1 252 . 1 . 1 28 28 THR HA H 1 3.91 0.02 . 1 . . . . A 257 THR HA . 31260 1 253 . 1 . 1 28 28 THR HB H 1 4.88 0.02 . 1 . . . . A 257 THR HB . 31260 1 254 . 1 . 1 28 28 THR HG21 H 1 1.57 0.02 . 1 . . . . A 257 THR HG21 . 31260 1 255 . 1 . 1 28 28 THR HG22 H 1 1.57 0.02 . 1 . . . . A 257 THR HG22 . 31260 1 256 . 1 . 1 28 28 THR HG23 H 1 1.57 0.02 . 1 . . . . A 257 THR HG23 . 31260 1 257 . 1 . 1 28 28 THR C C 13 178.45 0.1 . 1 . . . . A 257 THR C . 31260 1 258 . 1 . 1 28 28 THR CA C 13 58.31 0.1 . 1 . . . . A 257 THR CA . 31260 1 259 . 1 . 1 28 28 THR CB C 13 77.11 0.1 . 1 . . . . A 257 THR CB . 31260 1 260 . 1 . 1 28 28 THR N N 15 125.9 0.1 . 1 . . . . A 257 THR N . 31260 1 261 . 1 . 1 29 29 ASP H H 1 8.09 0.2 . 1 . . . . A 258 ASP H . 31260 1 262 . 1 . 1 29 29 ASP HA H 1 4.24 0.02 . 1 . . . . A 258 ASP HA . 31260 1 263 . 1 . 1 29 29 ASP C C 13 175.3 0.1 . 1 . . . . A 258 ASP C . 31260 1 264 . 1 . 1 29 29 ASP CA C 13 55.4 0.1 . 1 . . . . A 258 ASP CA . 31260 1 265 . 1 . 1 29 29 ASP CB C 13 42.28 0.1 . 1 . . . . A 258 ASP CB . 31260 1 266 . 1 . 1 29 29 ASP N N 15 120.2 0.1 . 1 . . . . A 258 ASP N . 31260 1 267 . 1 . 1 30 30 LEU C C 13 178.48 0.1 . 1 . . . . A 259 LEU C . 31260 1 268 . 1 . 1 30 30 LEU CA C 13 57 0.1 . 1 . . . . A 259 LEU CA . 31260 1 269 . 1 . 1 30 30 LEU CB C 13 41.68 0.1 . 1 . . . . A 259 LEU CB . 31260 1 270 . 1 . 1 31 31 ARG H H 1 8.5 0.02 . 1 . . . . A 260 ARG H . 31260 1 271 . 1 . 1 31 31 ARG HA H 1 3.9 0.02 . 1 . . . . A 260 ARG HA . 31260 1 272 . 1 . 1 31 31 ARG HB2 H 1 1.84 0.02 . 2 . . . . A 260 ARG HB2 . 31260 1 273 . 1 . 1 31 31 ARG HB3 H 1 1.84 0.02 . 2 . . . . A 260 ARG HB3 . 31260 1 274 . 1 . 1 31 31 ARG HG2 H 1 1.61 0.02 . 2 . . . . A 260 ARG HG2 . 31260 1 275 . 1 . 1 31 31 ARG HG3 H 1 1.61 0.02 . 2 . . . . A 260 ARG HG3 . 31260 1 276 . 1 . 1 31 31 ARG HD2 H 1 3.21 0.02 . 2 . . . . A 260 ARG HD2 . 31260 1 277 . 1 . 1 31 31 ARG HD3 H 1 3.21 0.02 . 2 . . . . A 260 ARG HD3 . 31260 1 278 . 1 . 1 31 31 ARG C C 13 179.7 0.1 . 1 . . . . A 260 ARG C . 31260 1 279 . 1 . 1 31 31 ARG CA C 13 59.33 0.1 . 1 . . . . A 260 ARG CA . 31260 1 280 . 1 . 1 31 31 ARG CB C 13 29.63 0.1 . 1 . . . . A 260 ARG CB . 31260 1 281 . 1 . 1 31 31 ARG N N 15 118.3 0.1 . 1 . . . . A 260 ARG N . 31260 1 282 . 1 . 1 32 32 GLY H H 1 8.34 0.02 . 1 . . . . A 261 GLY H . 31260 1 283 . 1 . 1 32 32 GLY HA2 H 1 3.89 0.02 . 2 . . . . A 261 GLY HA2 . 31260 1 284 . 1 . 1 32 32 GLY HA3 H 1 3.82 0.02 . 2 . . . . A 261 GLY HA3 . 31260 1 285 . 1 . 1 32 32 GLY C C 13 177.34 0.1 . 1 . . . . A 261 GLY C . 31260 1 286 . 1 . 1 32 32 GLY CA C 13 46.62 0.1 . 1 . . . . A 261 GLY CA . 31260 1 287 . 1 . 1 32 32 GLY N N 15 124.6 0.1 . 1 . . . . A 261 GLY N . 31260 1 288 . 1 . 1 33 33 MET H H 1 7.96 0.02 . 1 . . . . A 262 MET H . 31260 1 289 . 1 . 1 33 33 MET HA H 1 4.21 0.02 . 1 . . . . A 262 MET HA . 31260 1 290 . 1 . 1 33 33 MET HB2 H 1 2.11 0.02 . 2 . . . . A 262 MET HB2 . 31260 1 291 . 1 . 1 33 33 MET HB3 H 1 2.11 0.02 . 2 . . . . A 262 MET HB3 . 31260 1 292 . 1 . 1 33 33 MET HG2 H 1 2.49 0.02 . 2 . . . . A 262 MET HG2 . 31260 1 293 . 1 . 1 33 33 MET HG3 H 1 2.49 0.02 . 2 . . . . A 262 MET HG3 . 31260 1 294 . 1 . 1 33 33 MET HE1 H 1 2.05 0.02 . 1 . . . . A 262 MET HE1 . 31260 1 295 . 1 . 1 33 33 MET HE2 H 1 2.05 0.02 . 1 . . . . A 262 MET HE2 . 31260 1 296 . 1 . 1 33 33 MET HE3 H 1 2.05 0.02 . 1 . . . . A 262 MET HE3 . 31260 1 297 . 1 . 1 33 33 MET C C 13 177.3 0.1 . 1 . . . . A 262 MET C . 31260 1 298 . 1 . 1 33 33 MET CA C 13 58.65 0.1 . 1 . . . . A 262 MET CA . 31260 1 299 . 1 . 1 33 33 MET CB C 13 33.08 0.1 . 1 . . . . A 262 MET CB . 31260 1 300 . 1 . 1 33 33 MET N N 15 123.3 0.1 . 1 . . . . A 262 MET N . 31260 1 301 . 1 . 1 34 34 LEU H H 1 8.36 0.02 . 1 . . . . A 263 LEU H . 31260 1 302 . 1 . 1 34 34 LEU HA H 1 3.96 0.02 . 1 . . . . A 263 LEU HA . 31260 1 303 . 1 . 1 34 34 LEU HB2 H 1 1.78 0.02 . 2 . . . . A 263 LEU HB2 . 31260 1 304 . 1 . 1 34 34 LEU HB3 H 1 1.91 0.02 . 2 . . . . A 263 LEU HB3 . 31260 1 305 . 1 . 1 34 34 LEU HD11 H 1 0.65 0.02 . 2 . . . . A 263 LEU HD11 . 31260 1 306 . 1 . 1 34 34 LEU HD12 H 1 0.65 0.02 . 2 . . . . A 263 LEU HD12 . 31260 1 307 . 1 . 1 34 34 LEU HD13 H 1 0.65 0.02 . 2 . . . . A 263 LEU HD13 . 31260 1 308 . 1 . 1 34 34 LEU HD21 H 1 0.81 0.02 . 2 . . . . A 263 LEU HD21 . 31260 1 309 . 1 . 1 34 34 LEU HD22 H 1 0.81 0.02 . 2 . . . . A 263 LEU HD22 . 31260 1 310 . 1 . 1 34 34 LEU HD23 H 1 0.81 0.02 . 2 . . . . A 263 LEU HD23 . 31260 1 311 . 1 . 1 34 34 LEU C C 13 179.66 0.1 . 1 . . . . A 263 LEU C . 31260 1 312 . 1 . 1 34 34 LEU CA C 13 56.97 0.1 . 1 . . . . A 263 LEU CA . 31260 1 313 . 1 . 1 34 34 LEU CB C 13 41.15 0.1 . 1 . . . . A 263 LEU CB . 31260 1 314 . 1 . 1 34 34 LEU N N 15 118.7 0.1 . 1 . . . . A 263 LEU N . 31260 1 315 . 1 . 1 35 35 LYS H H 1 7.83 0.02 . 1 . . . . A 264 LYS H . 31260 1 316 . 1 . 1 35 35 LYS HA H 1 4 0.02 . 1 . . . . A 264 LYS HA . 31260 1 317 . 1 . 1 35 35 LYS HB2 H 1 1.89 0.02 . 2 . . . . A 264 LYS HB2 . 31260 1 318 . 1 . 1 35 35 LYS HB3 H 1 1.89 0.02 . 2 . . . . A 264 LYS HB3 . 31260 1 319 . 1 . 1 35 35 LYS HG2 H 1 1.43 0.02 . 2 . . . . A 264 LYS HG2 . 31260 1 320 . 1 . 1 35 35 LYS HG3 H 1 1.43 0.02 . 2 . . . . A 264 LYS HG3 . 31260 1 321 . 1 . 1 35 35 LYS HD2 H 1 1.59 0.02 . 2 . . . . A 264 LYS HD2 . 31260 1 322 . 1 . 1 35 35 LYS HD3 H 1 1.59 0.02 . 2 . . . . A 264 LYS HD3 . 31260 1 323 . 1 . 1 35 35 LYS HE2 H 1 3.02 0.02 . 2 . . . . A 264 LYS HE2 . 31260 1 324 . 1 . 1 35 35 LYS HE3 H 1 3.02 0.02 . 2 . . . . A 264 LYS HE3 . 31260 1 325 . 1 . 1 35 35 LYS C C 13 179.66 0.1 . 1 . . . . A 264 LYS C . 31260 1 326 . 1 . 1 35 35 LYS CA C 13 56.97 0.1 . 1 . . . . A 264 LYS CA . 31260 1 327 . 1 . 1 35 35 LYS CB C 13 41.15 0.1 . 1 . . . . A 264 LYS CB . 31260 1 328 . 1 . 1 35 35 LYS N N 15 119.6 0.1 . 1 . . . . A 264 LYS N . 31260 1 329 . 1 . 1 36 36 ARG H H 1 7.74 0.02 . 1 . . . . A 265 ARG H . 31260 1 330 . 1 . 1 36 36 ARG HA H 1 4.01 0.02 . 1 . . . . A 265 ARG HA . 31260 1 331 . 1 . 1 36 36 ARG HB2 H 1 1.88 0.02 . 2 . . . . A 265 ARG HB2 . 31260 1 332 . 1 . 1 36 36 ARG HB3 H 1 1.88 0.02 . 2 . . . . A 265 ARG HB3 . 31260 1 333 . 1 . 1 36 36 ARG HG2 H 1 1.59 0.02 . 2 . . . . A 265 ARG HG2 . 31260 1 334 . 1 . 1 36 36 ARG HG3 H 1 1.59 0.02 . 2 . . . . A 265 ARG HG3 . 31260 1 335 . 1 . 1 36 36 ARG HD2 H 1 3.22 0.02 . 2 . . . . A 265 ARG HD2 . 31260 1 336 . 1 . 1 36 36 ARG HD3 H 1 3.22 0.02 . 2 . . . . A 265 ARG HD3 . 31260 1 337 . 1 . 1 36 36 ARG CA C 13 58.51 0.1 . 1 . . . . A 265 ARG CA . 31260 1 338 . 1 . 1 36 36 ARG CB C 13 30 0.1 . 1 . . . . A 265 ARG CB . 31260 1 339 . 1 . 1 36 36 ARG N N 15 120.1 0.1 . 1 . . . . A 265 ARG N . 31260 1 340 . 1 . 1 37 37 LEU H H 1 7.31 0.02 . 1 . . . . A 266 LEU H . 31260 1 341 . 1 . 1 37 37 LEU HA H 1 4.17 0.02 . 1 . . . . A 266 LEU HA . 31260 1 342 . 1 . 1 37 37 LEU C C 13 175.64 0.1 . 1 . . . . A 266 LEU C . 31260 1 343 . 1 . 1 37 37 LEU CA C 13 55.44 0.1 . 1 . . . . A 266 LEU CA . 31260 1 344 . 1 . 1 37 37 LEU CB C 13 42.3 0.1 . 1 . . . . A 266 LEU CB . 31260 1 345 . 1 . 1 38 38 LYS H H 1 8.33 0.02 . 1 . . . . A 267 LYS H . 31260 1 346 . 1 . 1 38 38 LYS HA H 1 4.46 0.02 . 1 . . . . A 267 LYS HA . 31260 1 347 . 1 . 1 38 38 LYS HB2 H 1 1.88 0.02 . 2 . . . . A 267 LYS HB2 . 31260 1 348 . 1 . 1 38 38 LYS HB3 H 1 1.88 0.02 . 2 . . . . A 267 LYS HB3 . 31260 1 349 . 1 . 1 38 38 LYS HG2 H 1 1.55 0.02 . 2 . . . . A 267 LYS HG2 . 31260 1 350 . 1 . 1 38 38 LYS HG3 H 1 1.55 0.02 . 2 . . . . A 267 LYS HG3 . 31260 1 351 . 1 . 1 38 38 LYS HD2 H 1 1.76 0.02 . 2 . . . . A 267 LYS HD2 . 31260 1 352 . 1 . 1 38 38 LYS HD3 H 1 1.76 0.02 . 2 . . . . A 267 LYS HD3 . 31260 1 353 . 1 . 1 38 38 LYS HE2 H 1 2.99 0.02 . 2 . . . . A 267 LYS HE2 . 31260 1 354 . 1 . 1 38 38 LYS HE3 H 1 2.99 0.02 . 2 . . . . A 267 LYS HE3 . 31260 1 355 . 1 . 1 38 38 LYS C C 13 176.58 0.1 . 1 . . . . A 267 LYS C . 31260 1 356 . 1 . 1 38 38 LYS CA C 13 55.42 0.1 . 1 . . . . A 267 LYS CA . 31260 1 357 . 1 . 1 38 38 LYS CB C 13 30.69 0.1 . 1 . . . . A 267 LYS CB . 31260 1 358 . 1 . 1 38 38 LYS N N 15 120.5 0.1 . 1 . . . . A 267 LYS N . 31260 1 359 . 1 . 1 39 39 ARG H H 1 8.64 0.02 . 1 . . . . A 268 ARG H . 31260 1 360 . 1 . 1 39 39 ARG HA H 1 3.97 0.02 . 1 . . . . A 268 ARG HA . 31260 1 361 . 1 . 1 39 39 ARG HB2 H 1 1.91 0.02 . 2 . . . . A 268 ARG HB2 . 31260 1 362 . 1 . 1 39 39 ARG HB3 H 1 1.91 0.02 . 2 . . . . A 268 ARG HB3 . 31260 1 363 . 1 . 1 39 39 ARG HG2 H 1 1.65 0.02 . 2 . . . . A 268 ARG HG2 . 31260 1 364 . 1 . 1 39 39 ARG HG3 H 1 1.65 0.02 . 2 . . . . A 268 ARG HG3 . 31260 1 365 . 1 . 1 39 39 ARG C C 13 174.5 0.1 . 1 . . . . A 268 ARG C . 31260 1 366 . 1 . 1 39 39 ARG CA C 13 54.04 0.1 . 1 . . . . A 268 ARG CA . 31260 1 367 . 1 . 1 39 39 ARG CB C 13 29.76 0.1 . 1 . . . . A 268 ARG CB . 31260 1 368 . 1 . 1 39 39 ARG N N 15 124.2 0.1 . 1 . . . . A 268 ARG N . 31260 1 369 . 1 . 1 40 40 MET C C 13 178.56 0.1 . 1 . . . . A 269 MET C . 31260 1 370 . 1 . 1 40 40 MET CA C 13 53.63 0.1 . 1 . . . . A 269 MET CA . 31260 1 371 . 1 . 1 40 40 MET CB C 13 28.53 0.1 . 1 . . . . A 269 MET CB . 31260 1 372 . 1 . 1 41 41 ARG H H 1 7.69 0.02 . 1 . . . . A 270 ARG H . 31260 1 373 . 1 . 1 41 41 ARG HA H 1 4.12 0.02 . 1 . . . . A 270 ARG HA . 31260 1 374 . 1 . 1 41 41 ARG HB2 H 1 1.88 0.02 . 2 . . . . A 270 ARG HB2 . 31260 1 375 . 1 . 1 41 41 ARG HB3 H 1 1.88 0.02 . 2 . . . . A 270 ARG HB3 . 31260 1 376 . 1 . 1 41 41 ARG HG2 H 1 1.63 0.02 . 2 . . . . A 270 ARG HG2 . 31260 1 377 . 1 . 1 41 41 ARG HG3 H 1 1.63 0.02 . 2 . . . . A 270 ARG HG3 . 31260 1 378 . 1 . 1 41 41 ARG HD2 H 1 3.16 0.02 . 2 . . . . A 270 ARG HD2 . 31260 1 379 . 1 . 1 41 41 ARG HD3 H 1 3.16 0.02 . 2 . . . . A 270 ARG HD3 . 31260 1 380 . 1 . 1 41 41 ARG C C 13 177.82 0.1 . 1 . . . . A 270 ARG C . 31260 1 381 . 1 . 1 41 41 ARG CA C 13 58.51 0.1 . 1 . . . . A 270 ARG CA . 31260 1 382 . 1 . 1 41 41 ARG CB C 13 30 0.1 . 1 . . . . A 270 ARG CB . 31260 1 383 . 1 . 1 41 41 ARG N N 15 119.2 0.1 . 1 . . . . A 270 ARG N . 31260 1 384 . 1 . 1 44 44 GLU H H 1 8.64 0.02 . 1 . . . . A 273 GLU H . 31260 1 385 . 1 . 1 44 44 GLU HA H 1 4.58 0.02 . 1 . . . . A 273 GLU HA . 31260 1 386 . 1 . 1 44 44 GLU HB2 H 1 1.87 0.02 . 2 . . . . A 273 GLU HB2 . 31260 1 387 . 1 . 1 44 44 GLU HB3 H 1 1.87 0.02 . 2 . . . . A 273 GLU HB3 . 31260 1 388 . 1 . 1 44 44 GLU HG2 H 1 2.27 0.02 . 2 . . . . A 273 GLU HG2 . 31260 1 389 . 1 . 1 44 44 GLU HG3 H 1 2.27 0.02 . 2 . . . . A 273 GLU HG3 . 31260 1 390 . 1 . 1 44 44 GLU N N 15 119.1 0.1 . 1 . . . . A 273 GLU N . 31260 1 stop_ save_