data_27376 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27376 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of the prelamin A C-terminal region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-22 _Entry.Accession_date 2018-01-22 _Entry.Last_release_date 2018-01-22 _Entry.Original_release_date 2018-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Florian Celli . . . . 27376 2 Ambre Petitalot . . . . 27376 3 Camille Samson . . . . 27376 4 Francois-Xavier Theillet . . . . 27376 5 Sophie Zinn-Justin . . . . 27376 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'French Alternative Energies and Atomic Energy Commission' . 27376 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27376 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 170 27376 '15N chemical shifts' 89 27376 '1H chemical shifts' 87 27376 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-09-25 2018-01-22 update BMRB 'update entry citation' 27376 1 . . 2018-01-26 2018-01-22 original author 'original release' 27376 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27374 'Progerin C-ter' 27376 BMRB 27375 'Progerin C-terminal region' 27376 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27376 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29582385 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignment of the lamin C-terminal region specific to prelamin A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _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 225 _Citation.Page_last 229 _Citation.Year 2018 _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 Florian Celli . . . . 27376 1 2 Ambre Petitalot . . . . 27376 1 3 Camille Samson . . . . 27376 1 4 'Fran ois-Xavier' Theillet . . . . 27376 1 5 Sophie Zinn-Justin . . . . 27376 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intrinsically disordered protein' 27376 1 'NMR spectroscopy' 27376 1 'Nuclear envelope' 27376 1 Nucleoskeleton 27376 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27376 _Assembly.ID 1 _Assembly.Name 'prelamin A C-terminal region' _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 'Prelamin A C-terminal region' 1 $Prelamin_A_CtoA A . yes native no no . . . 27376 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prelamin_A_CtoA _Entity.Sf_category entity _Entity.Sf_framecode Prelamin_A_CtoA _Entity.Entry_ID 27376 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prelamin_A_CtoA _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 ; GMASHASSSGDPAEYNLRSR TVLAGTAGQPADKASASGSG AQVGGPISSGSSASSVTVTR SYRSVGGSGGGSFGDNLVTR SYLLGNSSPRTQSPQNASIM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Glycine1 is an artefact after removing the tag' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Cysteines 4, 22, 25 and 96 have been mutated into Alanines' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLY . 27376 1 2 1 MET . 27376 1 3 2 ALA . 27376 1 4 3 SER . 27376 1 5 4 HIS . 27376 1 6 5 ALA . 27376 1 7 6 SER . 27376 1 8 7 SER . 27376 1 9 8 SER . 27376 1 10 9 GLY . 27376 1 11 10 ASP . 27376 1 12 11 PRO . 27376 1 13 12 ALA . 27376 1 14 13 GLU . 27376 1 15 14 TYR . 27376 1 16 15 ASN . 27376 1 17 16 LEU . 27376 1 18 17 ARG . 27376 1 19 18 SER . 27376 1 20 19 ARG . 27376 1 21 20 THR . 27376 1 22 21 VAL . 27376 1 23 22 LEU . 27376 1 24 23 ALA . 27376 1 25 24 GLY . 27376 1 26 25 THR . 27376 1 27 26 ALA . 27376 1 28 27 GLY . 27376 1 29 28 GLN . 27376 1 30 29 PRO . 27376 1 31 30 ALA . 27376 1 32 31 ASP . 27376 1 33 32 LYS . 27376 1 34 33 ALA . 27376 1 35 34 SER . 27376 1 36 35 ALA . 27376 1 37 36 SER . 27376 1 38 37 GLY . 27376 1 39 38 SER . 27376 1 40 39 GLY . 27376 1 41 40 ALA . 27376 1 42 41 GLN . 27376 1 43 42 VAL . 27376 1 44 43 GLY . 27376 1 45 44 GLY . 27376 1 46 45 PRO . 27376 1 47 46 ILE . 27376 1 48 47 SER . 27376 1 49 48 SER . 27376 1 50 49 GLY . 27376 1 51 50 SER . 27376 1 52 51 SER . 27376 1 53 52 ALA . 27376 1 54 53 SER . 27376 1 55 54 SER . 27376 1 56 55 VAL . 27376 1 57 56 THR . 27376 1 58 57 VAL . 27376 1 59 58 THR . 27376 1 60 59 ARG . 27376 1 61 60 SER . 27376 1 62 61 TYR . 27376 1 63 62 ARG . 27376 1 64 63 SER . 27376 1 65 64 VAL . 27376 1 66 65 GLY . 27376 1 67 66 GLY . 27376 1 68 67 SER . 27376 1 69 68 GLY . 27376 1 70 69 GLY . 27376 1 71 70 GLY . 27376 1 72 71 SER . 27376 1 73 72 PHE . 27376 1 74 73 GLY . 27376 1 75 74 ASP . 27376 1 76 75 ASN . 27376 1 77 76 LEU . 27376 1 78 77 VAL . 27376 1 79 78 THR . 27376 1 80 79 ARG . 27376 1 81 80 SER . 27376 1 82 81 TYR . 27376 1 83 82 LEU . 27376 1 84 83 LEU . 27376 1 85 84 GLY . 27376 1 86 85 ASN . 27376 1 87 86 SER . 27376 1 88 87 SER . 27376 1 89 88 PRO . 27376 1 90 89 ARG . 27376 1 91 90 THR . 27376 1 92 91 GLN . 27376 1 93 92 SER . 27376 1 94 93 PRO . 27376 1 95 94 GLN . 27376 1 96 95 ASN . 27376 1 97 96 ALA . 27376 1 98 97 SER . 27376 1 99 98 ILE . 27376 1 100 99 MET . 27376 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 27376 1 . MET 2 2 27376 1 . ALA 3 3 27376 1 . SER 4 4 27376 1 . HIS 5 5 27376 1 . ALA 6 6 27376 1 . SER 7 7 27376 1 . SER 8 8 27376 1 . SER 9 9 27376 1 . GLY 10 10 27376 1 . ASP 11 11 27376 1 . PRO 12 12 27376 1 . ALA 13 13 27376 1 . GLU 14 14 27376 1 . TYR 15 15 27376 1 . ASN 16 16 27376 1 . LEU 17 17 27376 1 . ARG 18 18 27376 1 . SER 19 19 27376 1 . ARG 20 20 27376 1 . THR 21 21 27376 1 . VAL 22 22 27376 1 . LEU 23 23 27376 1 . ALA 24 24 27376 1 . GLY 25 25 27376 1 . THR 26 26 27376 1 . ALA 27 27 27376 1 . GLY 28 28 27376 1 . GLN 29 29 27376 1 . PRO 30 30 27376 1 . ALA 31 31 27376 1 . ASP 32 32 27376 1 . LYS 33 33 27376 1 . ALA 34 34 27376 1 . SER 35 35 27376 1 . ALA 36 36 27376 1 . SER 37 37 27376 1 . GLY 38 38 27376 1 . SER 39 39 27376 1 . GLY 40 40 27376 1 . ALA 41 41 27376 1 . GLN 42 42 27376 1 . VAL 43 43 27376 1 . GLY 44 44 27376 1 . GLY 45 45 27376 1 . PRO 46 46 27376 1 . ILE 47 47 27376 1 . SER 48 48 27376 1 . SER 49 49 27376 1 . GLY 50 50 27376 1 . SER 51 51 27376 1 . SER 52 52 27376 1 . ALA 53 53 27376 1 . SER 54 54 27376 1 . SER 55 55 27376 1 . VAL 56 56 27376 1 . THR 57 57 27376 1 . VAL 58 58 27376 1 . THR 59 59 27376 1 . ARG 60 60 27376 1 . SER 61 61 27376 1 . TYR 62 62 27376 1 . ARG 63 63 27376 1 . SER 64 64 27376 1 . VAL 65 65 27376 1 . GLY 66 66 27376 1 . GLY 67 67 27376 1 . SER 68 68 27376 1 . GLY 69 69 27376 1 . GLY 70 70 27376 1 . GLY 71 71 27376 1 . SER 72 72 27376 1 . PHE 73 73 27376 1 . GLY 74 74 27376 1 . ASP 75 75 27376 1 . ASN 76 76 27376 1 . LEU 77 77 27376 1 . VAL 78 78 27376 1 . THR 79 79 27376 1 . ARG 80 80 27376 1 . SER 81 81 27376 1 . TYR 82 82 27376 1 . LEU 83 83 27376 1 . LEU 84 84 27376 1 . GLY 85 85 27376 1 . ASN 86 86 27376 1 . SER 87 87 27376 1 . SER 88 88 27376 1 . PRO 89 89 27376 1 . ARG 90 90 27376 1 . THR 91 91 27376 1 . GLN 92 92 27376 1 . SER 93 93 27376 1 . PRO 94 94 27376 1 . GLN 95 95 27376 1 . ASN 96 96 27376 1 . ALA 97 97 27376 1 . SER 98 98 27376 1 . ILE 99 99 27376 1 . MET 100 100 27376 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 27376 _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 $Prelamin_A_CtoA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27376 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 27376 _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 $Prelamin_A_CtoA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM-13 . . . 27376 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27376 _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 'Prelamin A CtoA' '[U-100% 13C; U-100% 15N]' . . 1 $Prelamin_A_CtoA . . 600 . . uM . . . . 27376 1 2 'Phosphate Buffer' 'Natural Abundance' . . . . . . 20 . . mM . . . . 27376 1 3 NaCl 'Natural Abundance' . . . . . . 150 . . mM . . . . 27376 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 27376 _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' 150 . mM 27376 1 pH 6.5 . pH 27376 1 pressure 1 . atm 27376 1 temperature 283 . K 27376 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27376 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Ponder . . 27376 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27376 1 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 27376 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 27376 _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 . 600 . . . 27376 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 27376 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27376 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27376 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27376 1 4 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27376 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 27376 _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 water protons . . . . ppm 4.6 internal direct 1 . . . . . 27376 1 H 1 water protons . . . . ppm 4.6 internal direct 1 . . . . . 27376 1 N 15 water protons . . . . ppm 4.6 internal direct 1 . . . . . 27376 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 27376 _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 '3D HNCO' . . . 27376 1 2 '3D HNCA' . . . 27376 1 3 '3D HNCACB' . . . 27376 1 4 '3D HN(CA)NNH' . . . 27376 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.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 MET CA C 13 55.53 0.80 . 1 . . . . . 1 MET CA . 27376 1 2 . 1 1 2 2 MET CB C 13 32.55 0.80 . 1 . . . . . 1 MET CB . 27376 1 3 . 1 1 2 2 MET N N 15 120.1 0.25 . 1 . . . . . 1 MET N . 27376 1 4 . 1 1 3 3 ALA H H 1 8.27 0.02 . 1 . . . . . 2 ALA HN . 27376 1 5 . 1 1 3 3 ALA CA C 13 52.77 0.80 . 1 . . . . . 2 ALA CA . 27376 1 6 . 1 1 3 3 ALA CB C 13 18.68 0.80 . 1 . . . . . 2 ALA CB . 27376 1 7 . 1 1 3 3 ALA N N 15 125.87 0.25 . 1 . . . . . 2 ALA N . 27376 1 8 . 1 1 4 4 SER H H 1 8.18 0.02 . 1 . . . . . 3 SER HN . 27376 1 9 . 1 1 4 4 SER CA C 13 55.452 0.80 . 1 . . . . . 3 SER CA . 27376 1 10 . 1 1 4 4 SER CB C 13 61.041 0.80 . 1 . . . . . 3 SER CB . 27376 1 11 . 1 1 4 4 SER N N 15 115.09 0.25 . 1 . . . . . 3 SER N . 27376 1 12 . 1 1 5 5 HIS H H 1 8.31 0.02 . 1 . . . . . 4 HIS HN . 27376 1 13 . 1 1 5 5 HIS CA C 13 55.51 0.80 . 1 . . . . . 4 HIS CA . 27376 1 14 . 1 1 5 5 HIS CB C 13 29.28 0.80 . 1 . . . . . 4 HIS CB . 27376 1 15 . 1 1 5 5 HIS N N 15 120.59 0.25 . 1 . . . . . 4 HIS N . 27376 1 16 . 1 1 6 6 ALA H H 1 8.206 0.02 . 1 . . . . . 5 ALA HN . 27376 1 17 . 1 1 6 6 ALA CA C 13 52.75 0.80 . 1 . . . . . 5 ALA CA . 27376 1 18 . 1 1 6 6 ALA CB C 13 18.81 0.80 . 1 . . . . . 5 ALA CB . 27376 1 19 . 1 1 6 6 ALA N N 15 125.239 0.25 . 1 . . . . . 5 ALA N . 27376 1 20 . 1 1 7 7 SER H H 1 8.32 0.02 . 1 . . . . . 6 SER HN . 27376 1 21 . 1 1 7 7 SER CA C 13 58.56 0.80 . 1 . . . . . 6 SER CA . 27376 1 22 . 1 1 7 7 SER CB C 13 63.92 0.80 . 1 . . . . . 6 SER CB . 27376 1 23 . 1 1 7 7 SER N N 15 115.53 0.25 . 1 . . . . . 6 SER N . 27376 1 24 . 1 1 8 8 SER H H 1 8.32 0.02 . 1 . . . . . 7 SER HN . 27376 1 25 . 1 1 8 8 SER CA C 13 58.6 0.80 . 1 . . . . . 7 SER CA . 27376 1 26 . 1 1 8 8 SER CB C 13 63.92 0.80 . 1 . . . . . 7 SER CB . 27376 1 27 . 1 1 8 8 SER N N 15 117.96 0.25 . 1 . . . . . 7 SER N . 27376 1 28 . 1 1 9 9 SER H H 1 8.26 0.02 . 1 . . . . . 8 SER HN . 27376 1 29 . 1 1 9 9 SER CA C 13 58.77 0.80 . 1 . . . . . 8 SER CA . 27376 1 30 . 1 1 9 9 SER CB C 13 63.97 0.80 . 1 . . . . . 8 SER CB . 27376 1 31 . 1 1 9 9 SER N N 15 117.65 0.25 . 1 . . . . . 8 SER N . 27376 1 32 . 1 1 10 10 GLY H H 1 8.2 0.02 . 1 . . . . . 9 GLY HN . 27376 1 33 . 1 1 10 10 GLY CA C 13 44.82 0.80 . 1 . . . . . 9 GLY CA . 27376 1 34 . 1 1 10 10 GLY N N 15 110.59 0.25 . 1 . . . . . 9 GLY N . 27376 1 35 . 1 1 11 11 ASP H H 1 8.1 0.02 . 1 . . . . . 10 ASP HN . 27376 1 36 . 1 1 11 11 ASP CA C 13 52.28 0.80 . 1 . . . . . 10 ASP CA . 27376 1 37 . 1 1 11 11 ASP CB C 13 40.96 0.80 . 1 . . . . . 10 ASP CB . 27376 1 38 . 1 1 11 11 ASP N N 15 121.91 0.25 . 1 . . . . . 10 ASP N . 27376 1 39 . 1 1 12 12 PRO CA C 13 63.89 0.80 . 1 . . . . . 11 PRO CA . 27376 1 40 . 1 1 12 12 PRO CB C 13 31.68 0.80 . 1 . . . . . 11 PRO CB . 27376 1 41 . 1 1 13 13 ALA H H 1 8.28 0.02 . 1 . . . . . 12 ALA HN . 27376 1 42 . 1 1 13 13 ALA CA C 13 53.15 0.80 . 1 . . . . . 12 ALA CA . 27376 1 43 . 1 1 13 13 ALA CB C 13 18.47 0.80 . 1 . . . . . 12 ALA CB . 27376 1 44 . 1 1 13 13 ALA N N 15 122.78 0.25 . 1 . . . . . 12 ALA N . 27376 1 45 . 1 1 14 14 GLU H H 1 7.97 0.02 . 1 . . . . . 13 GLU HN . 27376 1 46 . 1 1 14 14 GLU CA C 13 56.93 0.80 . 1 . . . . . 13 GLU CA . 27376 1 47 . 1 1 14 14 GLU CB C 13 29.72 0.80 . 1 . . . . . 13 GLU CB . 27376 1 48 . 1 1 14 14 GLU N N 15 118.54 0.25 . 1 . . . . . 13 GLU N . 27376 1 49 . 1 1 15 15 TYR H H 1 7.866 0.02 . 1 . . . . . 14 TYR HN . 27376 1 50 . 1 1 15 15 TYR CA C 13 58.61 0.80 . 1 . . . . . 14 TYR CA . 27376 1 51 . 1 1 15 15 TYR CB C 13 38.25 0.80 . 1 . . . . . 14 TYR CB . 27376 1 52 . 1 1 15 15 TYR N N 15 120.299 0.25 . 1 . . . . . 14 TYR N . 27376 1 53 . 1 1 16 16 ASN H H 1 8.154 0.02 . 1 . . . . . 15 ASN HN . 27376 1 54 . 1 1 16 16 ASN CA C 13 53.55 0.80 . 1 . . . . . 15 ASN CA . 27376 1 55 . 1 1 16 16 ASN CB C 13 38.41 0.80 . 1 . . . . . 15 ASN CB . 27376 1 56 . 1 1 16 16 ASN N N 15 119.718 0.25 . 1 . . . . . 15 ASN N . 27376 1 57 . 1 1 17 17 LEU H H 1 7.889 0.02 . 1 . . . . . 16 LEU HN . 27376 1 58 . 1 1 17 17 LEU CA C 13 55.92 0.80 . 1 . . . . . 16 LEU CA . 27376 1 59 . 1 1 17 17 LEU CB C 13 41.87 0.80 . 1 . . . . . 16 LEU CB . 27376 1 60 . 1 1 17 17 LEU N N 15 121.72 0.25 . 1 . . . . . 16 LEU N . 27376 1 61 . 1 1 18 18 ARG H H 1 8.05 0.02 . 1 . . . . . 17 ARG HN . 27376 1 62 . 1 1 18 18 ARG CA C 13 56.52 0.80 . 1 . . . . . 17 ARG CA . 27376 1 63 . 1 1 18 18 ARG CB C 13 30.24 0.80 . 1 . . . . . 17 ARG CB . 27376 1 64 . 1 1 18 18 ARG N N 15 120.5 0.25 . 1 . . . . . 17 ARG N . 27376 1 65 . 1 1 19 19 SER H H 1 8.035 0.02 . 1 . . . . . 18 SER HN . 27376 1 66 . 1 1 19 19 SER CA C 13 58.65 0.80 . 1 . . . . . 18 SER CA . 27376 1 67 . 1 1 19 19 SER CB C 13 63.83 0.80 . 1 . . . . . 18 SER CB . 27376 1 68 . 1 1 19 19 SER N N 15 116.05 0.25 . 1 . . . . . 18 SER N . 27376 1 69 . 1 1 20 20 ARG H H 1 8.13 0.02 . 1 . . . . . 19 ARG HN . 27376 1 70 . 1 1 20 20 ARG CA C 13 56.48 0.80 . 1 . . . . . 19 ARG CA . 27376 1 71 . 1 1 20 20 ARG CB C 13 30.32 0.80 . 1 . . . . . 19 ARG CB . 27376 1 72 . 1 1 20 20 ARG N N 15 122.63 0.25 . 1 . . . . . 19 ARG N . 27376 1 73 . 1 1 21 21 THR H H 1 8.045 0.02 . 1 . . . . . 20 THR HN . 27376 1 74 . 1 1 21 21 THR CA C 13 62.4 0.80 . 1 . . . . . 20 THR CA . 27376 1 75 . 1 1 21 21 THR CB C 13 69.93 0.80 . 1 . . . . . 20 THR CB . 27376 1 76 . 1 1 21 21 THR N N 15 116.08 0.25 . 1 . . . . . 20 THR N . 27376 1 77 . 1 1 22 22 VAL H H 1 8.078 0.02 . 1 . . . . . 21 VAL HN . 27376 1 78 . 1 1 22 22 VAL CA C 13 62.41 0.80 . 1 . . . . . 21 VAL CA . 27376 1 79 . 1 1 22 22 VAL CB C 13 32.27 0.80 . 1 . . . . . 21 VAL CB . 27376 1 80 . 1 1 22 22 VAL N N 15 123.64 0.25 . 1 . . . . . 21 VAL N . 27376 1 81 . 1 1 23 23 LEU H H 1 8.203 0.02 . 1 . . . . . 22 LEU HN . 27376 1 82 . 1 1 23 23 LEU CA C 13 55.12 0.80 . 1 . . . . . 22 LEU CA . 27376 1 83 . 1 1 23 23 LEU CB C 13 41.94 0.80 . 1 . . . . . 22 LEU CB . 27376 1 84 . 1 1 23 23 LEU N N 15 126.1 0.25 . 1 . . . . . 22 LEU N . 27376 1 85 . 1 1 24 24 ALA H H 1 8.177 0.02 . 1 . . . . . 23 ALA HN . 27376 1 86 . 1 1 24 24 ALA CA C 13 52.85 0.80 . 1 . . . . . 23 ALA CA . 27376 1 87 . 1 1 24 24 ALA CB C 13 18.7 0.80 . 1 . . . . . 23 ALA CB . 27376 1 88 . 1 1 24 24 ALA N N 15 125.125 0.25 . 1 . . . . . 23 ALA N . 27376 1 89 . 1 1 25 25 GLY H H 1 8.245 0.02 . 1 . . . . . 24 GLY HN . 27376 1 90 . 1 1 25 25 GLY CA C 13 45.2 0.80 . 1 . . . . . 24 GLY CA . 27376 1 91 . 1 1 25 25 GLY N N 15 108.172 0.25 . 1 . . . . . 24 GLY N . 27376 1 92 . 1 1 26 26 THR H H 1 7.911 0.02 . 1 . . . . . 25 THR HN . 27376 1 93 . 1 1 26 26 THR CA C 13 61.98 0.80 . 1 . . . . . 25 THR CA . 27376 1 94 . 1 1 26 26 THR CB C 13 70.14 0.80 . 1 . . . . . 25 THR CB . 27376 1 95 . 1 1 26 26 THR N N 15 113.23 0.25 . 1 . . . . . 25 THR N . 27376 1 96 . 1 1 27 27 ALA H H 1 8.273 0.02 . 1 . . . . . 26 ALA HN . 27376 1 97 . 1 1 27 27 ALA CA C 13 52.84 0.80 . 1 . . . . . 26 ALA CA . 27376 1 98 . 1 1 27 27 ALA CB C 13 18.6 0.80 . 1 . . . . . 26 ALA CB . 27376 1 99 . 1 1 27 27 ALA N N 15 126.31 0.25 . 1 . . . . . 26 ALA N . 27376 1 100 . 1 1 28 28 GLY H H 1 8.25 0.02 . 1 . . . . . 27 GLY HN . 27376 1 101 . 1 1 28 28 GLY CA C 13 45.07 0.80 . 1 . . . . . 27 GLY CA . 27376 1 102 . 1 1 28 28 GLY N N 15 108.14 0.25 . 1 . . . . . 27 GLY N . 27376 1 103 . 1 1 29 29 GLN H H 1 8.036 0.02 . 1 . . . . . 28 GLN HN . 27376 1 104 . 1 1 29 29 GLN CA C 13 53.66 0.80 . 1 . . . . . 28 GLN CA . 27376 1 105 . 1 1 29 29 GLN CB C 13 28.47 0.80 . 1 . . . . . 28 GLN CB . 27376 1 106 . 1 1 29 29 GLN N N 15 120.49 0.25 . 1 . . . . . 28 GLN N . 27376 1 107 . 1 1 30 30 PRO CA C 13 63.34 0.80 . 1 . . . . . 29 PRO CA . 27376 1 108 . 1 1 30 30 PRO CB C 13 31.79 0.80 . 1 . . . . . 29 PRO CB . 27376 1 109 . 1 1 31 31 ALA H H 1 8.369 0.02 . 1 . . . . . 30 ALA HN . 27376 1 110 . 1 1 31 31 ALA CA C 13 52.49 0.80 . 1 . . . . . 30 ALA CA . 27376 1 111 . 1 1 31 31 ALA CB C 13 18.74 0.80 . 1 . . . . . 30 ALA CB . 27376 1 112 . 1 1 31 31 ALA N N 15 124.24 0.25 . 1 . . . . . 30 ALA N . 27376 1 113 . 1 1 32 32 ASP H H 1 8.176 0.02 . 1 . . . . . 31 ASP HN . 27376 1 114 . 1 1 32 32 ASP CA C 13 54.23 0.80 . 1 . . . . . 31 ASP CA . 27376 1 115 . 1 1 32 32 ASP CB C 13 40.92 0.80 . 1 . . . . . 31 ASP CB . 27376 1 116 . 1 1 32 32 ASP N N 15 119.249 0.25 . 1 . . . . . 31 ASP N . 27376 1 117 . 1 1 33 33 LYS H H 1 8.096 0.02 . 1 . . . . . 32 LYS HN . 27376 1 118 . 1 1 33 33 LYS CA C 13 56.66 0.80 . 1 . . . . . 32 LYS CA . 27376 1 119 . 1 1 33 33 LYS CB C 13 32.66 0.80 . 1 . . . . . 32 LYS CB . 27376 1 120 . 1 1 33 33 LYS N N 15 121.89 0.25 . 1 . . . . . 32 LYS N . 27376 1 121 . 1 1 34 34 ALA H H 1 8.192 0.02 . 1 . . . . . 33 ALA HN . 27376 1 122 . 1 1 34 34 ALA CA C 13 52.95 0.80 . 1 . . . . . 33 ALA CA . 27376 1 123 . 1 1 34 34 ALA CB C 13 18.57 0.80 . 1 . . . . . 33 ALA CB . 27376 1 124 . 1 1 34 34 ALA N N 15 124.642 0.25 . 1 . . . . . 33 ALA N . 27376 1 125 . 1 1 35 35 SER H H 1 8.079 0.02 . 1 . . . . . 34 SER HN . 27376 1 126 . 1 1 35 35 SER CA C 13 58.56 0.80 . 1 . . . . . 34 SER CA . 27376 1 127 . 1 1 35 35 SER CB C 13 63.99 0.80 . 1 . . . . . 34 SER CB . 27376 1 128 . 1 1 35 35 SER N N 15 114.888 0.25 . 1 . . . . . 34 SER N . 27376 1 129 . 1 1 36 36 ALA H H 1 8.23 0.02 . 1 . . . . . 35 ALA HN . 27376 1 130 . 1 1 36 36 ALA CA C 13 52.65 0.80 . 1 . . . . . 35 ALA CA . 27376 1 131 . 1 1 36 36 ALA CB C 13 18.72 0.80 . 1 . . . . . 35 ALA CB . 27376 1 132 . 1 1 36 36 ALA N N 15 125.94 0.25 . 1 . . . . . 35 ALA N . 27376 1 133 . 1 1 37 37 SER H H 1 8.18 0.02 . 1 . . . . . 36 SER HN . 27376 1 134 . 1 1 37 37 SER CA C 13 58.67 0.80 . 1 . . . . . 36 SER CA . 27376 1 135 . 1 1 37 37 SER CB C 13 63.96 0.80 . 1 . . . . . 36 SER CB . 27376 1 136 . 1 1 37 37 SER N N 15 114.8 0.25 . 1 . . . . . 36 SER N . 27376 1 137 . 1 1 38 38 GLY H H 1 8.26 0.02 . 1 . . . . . 37 GLY HN . 27376 1 138 . 1 1 38 38 GLY CA C 13 45.27 0.80 . 1 . . . . . 37 GLY CA . 27376 1 139 . 1 1 38 38 GLY N N 15 110.96 0.25 . 1 . . . . . 37 GLY N . 27376 1 140 . 1 1 39 39 SER H H 1 8.186 0.02 . 1 . . . . . 38 SER HN . 27376 1 141 . 1 1 39 39 SER CA C 13 58.8 0.80 . 1 . . . . . 38 SER CA . 27376 1 142 . 1 1 39 39 SER CB C 13 64 0.80 . 1 . . . . . 38 SER CB . 27376 1 143 . 1 1 39 39 SER N N 15 115.71 0.25 . 1 . . . . . 38 SER N . 27376 1 144 . 1 1 40 40 GLY H H 1 8.38 0.02 . 1 . . . . . 39 GLY HN . 27376 1 145 . 1 1 40 40 GLY CA C 13 45.16 0.80 . 1 . . . . . 39 GLY CA . 27376 1 146 . 1 1 40 40 GLY N N 15 111.056 0.25 . 1 . . . . . 39 GLY N . 27376 1 147 . 1 1 41 41 ALA H H 1 7.987 0.02 . 1 . . . . . 40 ALA HN . 27376 1 148 . 1 1 41 41 ALA CA C 13 52.51 0.80 . 1 . . . . . 40 ALA CA . 27376 1 149 . 1 1 41 41 ALA CB C 13 18.76 0.80 . 1 . . . . . 40 ALA CB . 27376 1 150 . 1 1 41 41 ALA N N 15 123.54 0.25 . 1 . . . . . 40 ALA N . 27376 1 151 . 1 1 42 42 GLN H H 1 8.283 0.02 . 1 . . . . . 41 GLN HN . 27376 1 152 . 1 1 42 42 GLN CA C 13 55.74 0.80 . 1 . . . . . 41 GLN CA . 27376 1 153 . 1 1 42 42 GLN CB C 13 29.02 0.80 . 1 . . . . . 41 GLN CB . 27376 1 154 . 1 1 42 42 GLN N N 15 119.913 0.25 . 1 . . . . . 41 GLN N . 27376 1 155 . 1 1 43 43 VAL H H 1 8.141 0.02 . 1 . . . . . 42 VAL HN . 27376 1 156 . 1 1 43 43 VAL CA C 13 62.69 0.80 . 1 . . . . . 42 VAL CA . 27376 1 157 . 1 1 43 43 VAL CB C 13 32.36 0.80 . 1 . . . . . 42 VAL CB . 27376 1 158 . 1 1 43 43 VAL N N 15 122.088 0.25 . 1 . . . . . 42 VAL N . 27376 1 159 . 1 1 44 44 GLY H H 1 8.43 0.02 . 1 . . . . . 43 GLY HN . 27376 1 160 . 1 1 44 44 GLY CA C 13 45 0.80 . 1 . . . . . 43 GLY CA . 27376 1 161 . 1 1 44 44 GLY N N 15 112.959 0.25 . 1 . . . . . 43 GLY N . 27376 1 162 . 1 1 45 45 GLY H H 1 7.994 0.02 . 1 . . . . . 44 GLY HN . 27376 1 163 . 1 1 45 45 GLY CA C 13 44.49 0.80 . 1 . . . . . 44 GLY CA . 27376 1 164 . 1 1 45 45 GLY N N 15 108.869 0.25 . 1 . . . . . 44 GLY N . 27376 1 165 . 1 1 46 46 PRO CA C 13 63.21 0.80 . 1 . . . . . 45 PRO CA . 27376 1 166 . 1 1 46 46 PRO CB C 13 31.84 0.80 . 1 . . . . . 45 PRO CB . 27376 1 167 . 1 1 47 47 ILE H H 1 8.219 0.02 . 1 . . . . . 46 ILE HN . 27376 1 168 . 1 1 47 47 ILE CA C 13 61.38 0.80 . 1 . . . . . 46 ILE CA . 27376 1 169 . 1 1 47 47 ILE CB C 13 38.46 0.80 . 1 . . . . . 46 ILE CB . 27376 1 170 . 1 1 47 47 ILE N N 15 121.246 0.25 . 1 . . . . . 46 ILE N . 27376 1 171 . 1 1 48 48 SER H H 1 8.315 0.02 . 1 . . . . . 47 SER HN . 27376 1 172 . 1 1 48 48 SER CA C 13 58.42 0.80 . 1 . . . . . 47 SER CA . 27376 1 173 . 1 1 48 48 SER CB C 13 63.95 0.80 . 1 . . . . . 47 SER CB . 27376 1 174 . 1 1 48 48 SER N N 15 120.017 0.25 . 1 . . . . . 47 SER N . 27376 1 175 . 1 1 49 49 SER H H 1 8.332 0.02 . 1 . . . . . 48 SER HN . 27376 1 176 . 1 1 49 49 SER CA C 13 58.68 0.80 . 1 . . . . . 48 SER CA . 27376 1 177 . 1 1 49 49 SER CB C 13 63.91 0.80 . 1 . . . . . 48 SER CB . 27376 1 178 . 1 1 49 49 SER N N 15 118.365 0.25 . 1 . . . . . 48 SER N . 27376 1 179 . 1 1 50 50 GLY H H 1 8.327 0.02 . 1 . . . . . 49 GLY HN . 27376 1 180 . 1 1 50 50 GLY CA C 13 45.25 0.80 . 1 . . . . . 49 GLY CA . 27376 1 181 . 1 1 50 50 GLY N N 15 110.83 0.25 . 1 . . . . . 49 GLY N . 27376 1 182 . 1 1 51 51 SER H H 1 8.128 0.02 . 1 . . . . . 50 SER HN . 27376 1 183 . 1 1 51 51 SER CA C 13 58.43 0.80 . 1 . . . . . 50 SER CA . 27376 1 184 . 1 1 51 51 SER CB C 13 63.97 0.80 . 1 . . . . . 50 SER CB . 27376 1 185 . 1 1 51 51 SER N N 15 115.659 0.25 . 1 . . . . . 50 SER N . 27376 1 186 . 1 1 52 52 SER H H 1 8.317 0.02 . 1 . . . . . 51 SER HN . 27376 1 187 . 1 1 52 52 SER CA C 13 58.56 0.80 . 1 . . . . . 51 SER CA . 27376 1 188 . 1 1 52 52 SER CB C 13 63.99 0.80 . 1 . . . . . 51 SER CB . 27376 1 189 . 1 1 52 52 SER N N 15 117.97 0.25 . 1 . . . . . 51 SER N . 27376 1 190 . 1 1 53 53 ALA H H 1 8.228 0.02 . 1 . . . . . 52 ALA HN . 27376 1 191 . 1 1 53 53 ALA CA C 13 52.81 0.80 . 1 . . . . . 52 ALA CA . 27376 1 192 . 1 1 53 53 ALA CB C 13 18.73 0.80 . 1 . . . . . 52 ALA CB . 27376 1 193 . 1 1 53 53 ALA N N 15 125.879 0.25 . 1 . . . . . 52 ALA N . 27376 1 194 . 1 1 54 54 SER H H 1 8.132 0.02 . 1 . . . . . 53 SER HN . 27376 1 195 . 1 1 54 54 SER CA C 13 58.49 0.80 . 1 . . . . . 53 SER CA . 27376 1 196 . 1 1 54 54 SER CB C 13 63.87 0.80 . 1 . . . . . 53 SER CB . 27376 1 197 . 1 1 54 54 SER N N 15 114.634 0.25 . 1 . . . . . 53 SER N . 27376 1 198 . 1 1 55 55 SER H H 1 8.162 0.02 . 1 . . . . . 54 SER HN . 27376 1 199 . 1 1 55 55 SER CA C 13 58.47 0.80 . 1 . . . . . 54 SER CA . 27376 1 200 . 1 1 55 55 SER CB C 13 64.02 0.80 . 1 . . . . . 54 SER CB . 27376 1 201 . 1 1 55 55 SER N N 15 117.96 0.25 . 1 . . . . . 54 SER N . 27376 1 202 . 1 1 56 56 VAL H H 1 7.992 0.02 . 1 . . . . . 55 VAL HN . 27376 1 203 . 1 1 56 56 VAL CA C 13 62.41 0.80 . 1 . . . . . 55 VAL CA . 27376 1 204 . 1 1 56 56 VAL CB C 13 32.41 0.80 . 1 . . . . . 55 VAL CB . 27376 1 205 . 1 1 56 56 VAL N N 15 121.56 0.25 . 1 . . . . . 55 VAL N . 27376 1 206 . 1 1 57 57 THR H H 1 8.169 0.02 . 1 . . . . . 56 THR HN . 27376 1 207 . 1 1 57 57 THR CA C 13 63.34 0.80 . 1 . . . . . 56 THR CA . 27376 1 208 . 1 1 57 57 THR CB C 13 69.97 0.80 . 1 . . . . . 56 THR CB . 27376 1 209 . 1 1 57 57 THR N N 15 119.17 0.25 . 1 . . . . . 56 THR N . 27376 1 210 . 1 1 58 58 VAL H H 1 7.99 0.02 . 1 . . . . . 57 VAL HN . 27376 1 211 . 1 1 58 58 VAL CA C 13 62.36 0.80 . 1 . . . . . 57 VAL CA . 27376 1 212 . 1 1 58 58 VAL CB C 13 32.34 0.80 . 1 . . . . . 57 VAL CB . 27376 1 213 . 1 1 58 58 VAL N N 15 121.55 0.25 . 1 . . . . . 57 VAL N . 27376 1 214 . 1 1 59 59 THR H H 1 8.14 0.02 . 1 . . . . . 58 THR HN . 27376 1 215 . 1 1 59 59 THR CA C 13 62.03 0.80 . 1 . . . . . 58 THR CA . 27376 1 216 . 1 1 59 59 THR CB C 13 69.96 0.80 . 1 . . . . . 58 THR CB . 27376 1 217 . 1 1 59 59 THR N N 15 118.97 0.25 . 1 . . . . . 58 THR N . 27376 1 218 . 1 1 60 60 ARG H H 1 8.27 0.02 . 1 . . . . . 59 ARG HN . 27376 1 219 . 1 1 60 60 ARG CA C 13 56.03 0.80 . 1 . . . . . 59 ARG CA . 27376 1 220 . 1 1 60 60 ARG CB C 13 30.57 0.80 . 1 . . . . . 59 ARG CB . 27376 1 221 . 1 1 60 60 ARG N N 15 124.03 0.25 . 1 . . . . . 59 ARG N . 27376 1 222 . 1 1 61 61 SER H H 1 8.19 0.02 . 1 . . . . . 60 SER HN . 27376 1 223 . 1 1 61 61 SER CA C 13 58.37 0.80 . 1 . . . . . 60 SER CA . 27376 1 224 . 1 1 61 61 SER CB C 13 63.91 0.80 . 1 . . . . . 60 SER CB . 27376 1 225 . 1 1 61 61 SER N N 15 116.9 0.25 . 1 . . . . . 60 SER N . 27376 1 226 . 1 1 62 62 TYR H H 1 8.13 0.02 . 1 . . . . . 61 TYR HN . 27376 1 227 . 1 1 62 62 TYR CA C 13 58.32 0.80 . 1 . . . . . 61 TYR CA . 27376 1 228 . 1 1 62 62 TYR CB C 13 38.58 0.80 . 1 . . . . . 61 TYR CB . 27376 1 229 . 1 1 62 62 TYR N N 15 122.53 0.25 . 1 . . . . . 61 TYR N . 27376 1 230 . 1 1 63 63 ARG H H 1 8.02 0.02 . 1 . . . . . 62 ARG HN . 27376 1 231 . 1 1 63 63 ARG CA C 13 55.84 0.80 . 1 . . . . . 62 ARG CA . 27376 1 232 . 1 1 63 63 ARG CB C 13 30.69 0.80 . 1 . . . . . 62 ARG CB . 27376 1 233 . 1 1 63 63 ARG N N 15 122.68 0.25 . 1 . . . . . 62 ARG N . 27376 1 234 . 1 1 64 64 SER H H 1 8.19 0.02 . 1 . . . . . 63 SER HN . 27376 1 235 . 1 1 64 64 SER CA C 13 58.37 0.80 . 1 . . . . . 63 SER CA . 27376 1 236 . 1 1 64 64 SER CB C 13 63.87 0.80 . 1 . . . . . 63 SER CB . 27376 1 237 . 1 1 64 64 SER N N 15 117.49 0.25 . 1 . . . . . 63 SER N . 27376 1 238 . 1 1 65 65 VAL H H 1 8.11 0.02 . 1 . . . . . 64 VAL HN . 27376 1 239 . 1 1 65 65 VAL CA C 13 62.51 0.80 . 1 . . . . . 64 VAL CA . 27376 1 240 . 1 1 65 65 VAL CB C 13 32.39 0.80 . 1 . . . . . 64 VAL CB . 27376 1 241 . 1 1 65 65 VAL N N 15 121.81 0.25 . 1 . . . . . 64 VAL N . 27376 1 242 . 1 1 66 66 GLY H H 1 8.37 0.02 . 1 . . . . . 65 GLY HN . 27376 1 243 . 1 1 66 66 GLY CA C 13 45.1 0.80 . 1 . . . . . 65 GLY CA . 27376 1 244 . 1 1 66 66 GLY N N 15 112.34 0.25 . 1 . . . . . 65 GLY N . 27376 1 245 . 1 1 67 67 GLY H H 1 8.115 0.02 . 1 . . . . . 66 GLY HN . 27376 1 246 . 1 1 67 67 GLY CA C 13 45.09 0.80 . 1 . . . . . 66 GLY CA . 27376 1 247 . 1 1 67 67 GLY N N 15 108.83 0.25 . 1 . . . . . 66 GLY N . 27376 1 248 . 1 1 68 68 SER H H 1 8.27 0.02 . 1 . . . . . 67 SER HN . 27376 1 249 . 1 1 68 68 SER CA C 13 58.72 0.80 . 1 . . . . . 67 SER CA . 27376 1 250 . 1 1 68 68 SER CB C 13 64 0.80 . 1 . . . . . 67 SER CB . 27376 1 251 . 1 1 68 68 SER N N 15 115.74 0.25 . 1 . . . . . 67 SER N . 27376 1 252 . 1 1 69 69 GLY H H 1 8.42 0.02 . 1 . . . . . 68 GLY HN . 27376 1 253 . 1 1 69 69 GLY CA C 13 45.23 0.80 . 1 . . . . . 68 GLY CA . 27376 1 254 . 1 1 69 69 GLY N N 15 111.002 0.25 . 1 . . . . . 68 GLY N . 27376 1 255 . 1 1 70 70 GLY H H 1 8.182 0.02 . 1 . . . . . 69 GLY HN . 27376 1 256 . 1 1 70 70 GLY CA C 13 45.15 0.80 . 1 . . . . . 69 GLY CA . 27376 1 257 . 1 1 70 70 GLY N N 15 108.78 0.25 . 1 . . . . . 69 GLY N . 27376 1 258 . 1 1 71 71 GLY H H 1 8.184 0.02 . 1 . . . . . 70 GLY HN . 27376 1 259 . 1 1 71 71 GLY CA C 13 45.03 0.80 . 1 . . . . . 70 GLY CA . 27376 1 260 . 1 1 71 71 GLY N N 15 108.79 0.25 . 1 . . . . . 70 GLY N . 27376 1 261 . 1 1 72 72 SER H H 1 8.1 0.02 . 1 . . . . . 71 SER HN . 27376 1 262 . 1 1 72 72 SER CA C 13 58.47 0.80 . 1 . . . . . 71 SER CA . 27376 1 263 . 1 1 72 72 SER CB C 13 63.98 0.80 . 1 . . . . . 71 SER CB . 27376 1 264 . 1 1 72 72 SER N N 15 115.704 0.25 . 1 . . . . . 71 SER N . 27376 1 265 . 1 1 73 73 PHE H H 1 8.243 0.02 . 1 . . . . . 72 PHE HN . 27376 1 266 . 1 1 73 73 PHE CA C 13 58.47 0.80 . 1 . . . . . 72 PHE CA . 27376 1 267 . 1 1 73 73 PHE CB C 13 39.21 0.80 . 1 . . . . . 72 PHE CB . 27376 1 268 . 1 1 73 73 PHE N N 15 122.061 0.25 . 1 . . . . . 72 PHE N . 27376 1 269 . 1 1 74 74 GLY H H 1 8.189 0.02 . 1 . . . . . 73 GLY HN . 27376 1 270 . 1 1 74 74 GLY CA C 13 45 0.80 . 1 . . . . . 73 GLY CA . 27376 1 271 . 1 1 74 74 GLY N N 15 110.365 0.25 . 1 . . . . . 73 GLY N . 27376 1 272 . 1 1 75 75 ASP H H 1 8.04 0.02 . 1 . . . . . 74 ASP HN . 27376 1 273 . 1 1 75 75 ASP CA C 13 53.96 0.80 . 1 . . . . . 74 ASP CA . 27376 1 274 . 1 1 75 75 ASP CB C 13 40.85 0.80 . 1 . . . . . 74 ASP CB . 27376 1 275 . 1 1 75 75 ASP N N 15 120.44 0.25 . 1 . . . . . 74 ASP N . 27376 1 276 . 1 1 76 76 ASN H H 1 8.24 0.02 . 1 . . . . . 75 ASN HN . 27376 1 277 . 1 1 76 76 ASN CA C 13 53.42 0.80 . 1 . . . . . 75 ASN CA . 27376 1 278 . 1 1 76 76 ASN CB C 13 38.41 0.80 . 1 . . . . . 75 ASN CB . 27376 1 279 . 1 1 76 76 ASN N N 15 118.3 0.25 . 1 . . . . . 75 ASN N . 27376 1 280 . 1 1 77 77 LEU H H 1 8.04 0.02 . 1 . . . . . 76 LEU HN . 27376 1 281 . 1 1 77 77 LEU CA C 13 55.58 0.80 . 1 . . . . . 76 LEU CA . 27376 1 282 . 1 1 77 77 LEU CB C 13 41.96 0.80 . 1 . . . . . 76 LEU CB . 27376 1 283 . 1 1 77 77 LEU N N 15 121.76 0.25 . 1 . . . . . 76 LEU N . 27376 1 284 . 1 1 78 78 VAL H H 1 7.97 0.02 . 1 . . . . . 77 VAL HN . 27376 1 285 . 1 1 78 78 VAL CA C 13 62.62 0.80 . 1 . . . . . 77 VAL CA . 27376 1 286 . 1 1 78 78 VAL CB C 13 32.34 0.80 . 1 . . . . . 77 VAL CB . 27376 1 287 . 1 1 78 78 VAL N N 15 121.13 0.25 . 1 . . . . . 77 VAL N . 27376 1 288 . 1 1 79 79 THR H H 1 8.14 0.02 . 1 . . . . . 78 THR HN . 27376 1 289 . 1 1 79 79 THR CA C 13 62.47 0.80 . 1 . . . . . 78 THR CA . 27376 1 290 . 1 1 79 79 THR CB C 13 70.01 0.80 . 1 . . . . . 78 THR CB . 27376 1 291 . 1 1 79 79 THR N N 15 118.96 0.25 . 1 . . . . . 78 THR N . 27376 1 292 . 1 1 80 80 ARG H H 1 8.13 0.02 . 1 . . . . . 79 ARG HN . 27376 1 293 . 1 1 80 80 ARG CB C 13 32.45 0.80 . 1 . . . . . 79 ARG CB . 27376 1 294 . 1 1 80 80 ARG N N 15 123.54 0.25 . 1 . . . . . 79 ARG N . 27376 1 295 . 1 1 84 84 LEU CA C 13 55.18 0.80 . 1 . . . . . 83 LEU CA . 27376 1 296 . 1 1 84 84 LEU CB C 13 41.96 0.80 . 1 . . . . . 83 LEU CB . 27376 1 297 . 1 1 85 85 GLY H H 1 8.11 0.02 . 1 . . . . . 84 GLY HN . 27376 1 298 . 1 1 85 85 GLY CA C 13 45.29 0.80 . 1 . . . . . 84 GLY CA . 27376 1 299 . 1 1 85 85 GLY N N 15 109 0.25 . 1 . . . . . 84 GLY N . 27376 1 300 . 1 1 86 86 ASN H H 1 8.15 0.02 . 1 . . . . . 85 ASN HN . 27376 1 301 . 1 1 86 86 ASN CA C 13 52.66 0.80 . 1 . . . . . 85 ASN CA . 27376 1 302 . 1 1 86 86 ASN CB C 13 38.44 0.80 . 1 . . . . . 85 ASN CB . 27376 1 303 . 1 1 86 86 ASN N N 15 118.84 0.25 . 1 . . . . . 85 ASN N . 27376 1 304 . 1 1 87 87 SER H H 1 8.16 0.02 . 1 . . . . . 86 SER HN . 27376 1 305 . 1 1 87 87 SER N N 15 116.14 0.25 . 1 . . . . . 86 SER N . 27376 1 306 . 1 1 90 90 ARG H H 1 8.13 0.02 . 1 . . . . . 89 ARG HN . 27376 1 307 . 1 1 90 90 ARG CA C 13 56.21 0.80 . 1 . . . . . 89 ARG CA . 27376 1 308 . 1 1 90 90 ARG CB C 13 30.5 0.80 . 1 . . . . . 89 ARG CB . 27376 1 309 . 1 1 90 90 ARG N N 15 122.83 0.25 . 1 . . . . . 89 ARG N . 27376 1 310 . 1 1 91 91 THR H H 1 8.1 0.02 . 1 . . . . . 90 THR HN . 27376 1 311 . 1 1 91 91 THR CA C 13 62.39 0.80 . 1 . . . . . 90 THR CA . 27376 1 312 . 1 1 91 91 THR CB C 13 69.99 0.80 . 1 . . . . . 90 THR CB . 27376 1 313 . 1 1 91 91 THR N N 15 116.43 0.25 . 1 . . . . . 90 THR N . 27376 1 314 . 1 1 92 92 GLN CA C 13 55.33 0.80 . 1 . . . . . 91 GLN CA . 27376 1 315 . 1 1 92 92 GLN CB C 13 29.45 0.80 . 1 . . . . . 91 GLN CB . 27376 1 316 . 1 1 92 92 GLN N N 15 122.57 0.25 . 1 . . . . . 91 GLN N . 27376 1 317 . 1 1 93 93 SER H H 1 8.34 0.02 . 1 . . . . . 92 SER HN . 27376 1 318 . 1 1 93 93 SER CA C 13 56.88 0.80 . 1 . . . . . 92 SER CA . 27376 1 319 . 1 1 93 93 SER CB C 13 63.04 0.80 . 1 . . . . . 92 SER CB . 27376 1 320 . 1 1 93 93 SER N N 15 119.11 0.25 . 1 . . . . . 92 SER N . 27376 1 321 . 1 1 94 94 PRO CA C 13 63.24 0.80 . 1 . . . . . 93 PRO CA . 27376 1 322 . 1 1 94 94 PRO CB C 13 32.1 0.80 . 1 . . . . . 93 PRO CB . 27376 1 323 . 1 1 95 95 GLN H H 1 8.38 0.02 . 1 . . . . . 94 GLN HN . 27376 1 324 . 1 1 95 95 GLN CA C 13 55.91 0.80 . 1 . . . . . 94 GLN CA . 27376 1 325 . 1 1 95 95 GLN CB C 13 28.96 0.80 . 1 . . . . . 94 GLN CB . 27376 1 326 . 1 1 95 95 GLN N N 15 120.11 0.25 . 1 . . . . . 94 GLN N . 27376 1 327 . 1 1 96 96 ASN H H 1 8.23 0.02 . 1 . . . . . 95 ASN HN . 27376 1 328 . 1 1 96 96 ASN CA C 13 52.88 0.80 . 1 . . . . . 95 ASN CA . 27376 1 329 . 1 1 96 96 ASN CB C 13 38.67 0.80 . 1 . . . . . 95 ASN CB . 27376 1 330 . 1 1 96 96 ASN N N 15 119.5 0.25 . 1 . . . . . 95 ASN N . 27376 1 331 . 1 1 97 97 ALA H H 1 8.14 0.02 . 1 . . . . . 96 ALA HN . 27376 1 332 . 1 1 97 97 ALA CA C 13 52.77 0.80 . 1 . . . . . 96 ALA CA . 27376 1 333 . 1 1 97 97 ALA CB C 13 18.68 0.80 . 1 . . . . . 96 ALA CB . 27376 1 334 . 1 1 97 97 ALA N N 15 124.36 0.25 . 1 . . . . . 96 ALA N . 27376 1 335 . 1 1 98 98 SER H H 1 8.18 0.02 . 1 . . . . . 97 SER HN . 27376 1 336 . 1 1 98 98 SER CA C 13 58.51 0.80 . 1 . . . . . 97 SER CA . 27376 1 337 . 1 1 98 98 SER CB C 13 63.67 0.80 . 1 . . . . . 97 SER CB . 27376 1 338 . 1 1 98 98 SER N N 15 115.08 0.25 . 1 . . . . . 97 SER N . 27376 1 339 . 1 1 99 99 ILE H H 1 7.94 0.02 . 1 . . . . . 98 ILE HN . 27376 1 340 . 1 1 99 99 ILE CA C 13 61.16 0.80 . 1 . . . . . 98 ILE CA . 27376 1 341 . 1 1 99 99 ILE CB C 13 38.37 0.80 . 1 . . . . . 98 ILE CB . 27376 1 342 . 1 1 99 99 ILE N N 15 122.19 0.25 . 1 . . . . . 98 ILE N . 27376 1 343 . 1 1 100 100 MET H H 1 7.83 0.02 . 1 . . . . . 99 MET HN . 27376 1 344 . 1 1 100 100 MET CA C 13 57.08 0.80 . 1 . . . . . 99 MET CA . 27376 1 345 . 1 1 100 100 MET CB C 13 33.46 0.80 . 1 . . . . . 99 MET CB . 27376 1 346 . 1 1 100 100 MET N N 15 129.15 0.25 . 1 . . . . . 99 MET N . 27376 1 stop_ save_