data_51381 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51381 _Entry.Title ; Backbone Chemical Shift Assignments of the S. cerevisiae Tom22(1-74) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-25 _Entry.Accession_date 2022-03-25 _Entry.Last_release_date 2022-03-25 _Entry.Original_release_date 2022-03-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H, 13C, and 15N Chemical Shift Assignments' _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 Iva Sucec . . . 0000-0002-1192-7800 51381 2 Paul Schanda . . . 0000-0002-9350-7606 51381 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51381 spectral_peak_list 6 51381 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 194 51381 '15N chemical shifts' 65 51381 '1H chemical shifts' 65 51381 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-09-26 . original BMRB . 51381 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51381 _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 ; Backbone Chemical Shift Assignments of the cytosolic domain of mitochondrial Tom22 receptor ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _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 Iva Sucec . . . . 51381 1 2 Paul Schanda . . . . 51381 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51381 _Assembly.ID 1 _Assembly.Name 'Cytosolic domain of mitochondrial import receptor Tom22' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8847.51 _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 Tom22 1 $entity_1 . . yes native no no . . . 51381 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51381 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMVELTEIKDDVVQLDEPQ FSRNQAIVEEKASATNNDVV DDEDDSDSDFEDEFDENETL LDRIVALKDIVPPGKRLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Protein sequence in the assignment project includes two additional residues at the N-ter and 2 at the C-ter, however, the numbering was conserved to match the biological sequence; Tom22(1-74): MVELTEIKDDVVQLDEPQFSRNQAIVEEKASATNNDVVDDEDDSDSDFEDEFDENETLLDRIVALKDIVPPGKR. ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'mitochondrial import receptor' 51381 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 -2 GLY . 51381 1 2 -1 HIS . 51381 1 3 1 MET . 51381 1 4 2 VAL . 51381 1 5 3 GLU . 51381 1 6 4 LEU . 51381 1 7 5 THR . 51381 1 8 6 GLU . 51381 1 9 7 ILE . 51381 1 10 8 LYS . 51381 1 11 9 ASP . 51381 1 12 10 ASP . 51381 1 13 11 VAL . 51381 1 14 12 VAL . 51381 1 15 13 GLN . 51381 1 16 14 LEU . 51381 1 17 15 ASP . 51381 1 18 16 GLU . 51381 1 19 17 PRO . 51381 1 20 18 GLN . 51381 1 21 19 PHE . 51381 1 22 20 SER . 51381 1 23 21 ARG . 51381 1 24 22 ASN . 51381 1 25 23 GLN . 51381 1 26 24 ALA . 51381 1 27 25 ILE . 51381 1 28 26 VAL . 51381 1 29 27 GLU . 51381 1 30 28 GLU . 51381 1 31 29 LYS . 51381 1 32 30 ALA . 51381 1 33 31 SER . 51381 1 34 32 ALA . 51381 1 35 33 THR . 51381 1 36 34 ASN . 51381 1 37 35 ASN . 51381 1 38 36 ASP . 51381 1 39 37 VAL . 51381 1 40 38 VAL . 51381 1 41 39 ASP . 51381 1 42 40 ASP . 51381 1 43 41 GLU . 51381 1 44 42 ASP . 51381 1 45 43 ASP . 51381 1 46 44 SER . 51381 1 47 45 ASP . 51381 1 48 46 SER . 51381 1 49 47 ASP . 51381 1 50 48 PHE . 51381 1 51 49 GLU . 51381 1 52 50 ASP . 51381 1 53 51 GLU . 51381 1 54 52 PHE . 51381 1 55 53 ASP . 51381 1 56 54 GLU . 51381 1 57 55 ASN . 51381 1 58 56 GLU . 51381 1 59 57 THR . 51381 1 60 58 LEU . 51381 1 61 59 LEU . 51381 1 62 60 ASP . 51381 1 63 61 ARG . 51381 1 64 62 ILE . 51381 1 65 63 VAL . 51381 1 66 64 ALA . 51381 1 67 65 LEU . 51381 1 68 66 LYS . 51381 1 69 67 ASP . 51381 1 70 68 ILE . 51381 1 71 69 VAL . 51381 1 72 70 PRO . 51381 1 73 71 PRO . 51381 1 74 72 GLY . 51381 1 75 73 LYS . 51381 1 76 74 ARG . 51381 1 77 75 LEU . 51381 1 78 76 GLU . 51381 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 51381 1 . HIS 2 2 51381 1 . MET 3 3 51381 1 . VAL 4 4 51381 1 . GLU 5 5 51381 1 . LEU 6 6 51381 1 . THR 7 7 51381 1 . GLU 8 8 51381 1 . ILE 9 9 51381 1 . LYS 10 10 51381 1 . ASP 11 11 51381 1 . ASP 12 12 51381 1 . VAL 13 13 51381 1 . VAL 14 14 51381 1 . GLN 15 15 51381 1 . LEU 16 16 51381 1 . ASP 17 17 51381 1 . GLU 18 18 51381 1 . PRO 19 19 51381 1 . GLN 20 20 51381 1 . PHE 21 21 51381 1 . SER 22 22 51381 1 . ARG 23 23 51381 1 . ASN 24 24 51381 1 . GLN 25 25 51381 1 . ALA 26 26 51381 1 . ILE 27 27 51381 1 . VAL 28 28 51381 1 . GLU 29 29 51381 1 . GLU 30 30 51381 1 . LYS 31 31 51381 1 . ALA 32 32 51381 1 . SER 33 33 51381 1 . ALA 34 34 51381 1 . THR 35 35 51381 1 . ASN 36 36 51381 1 . ASN 37 37 51381 1 . ASP 38 38 51381 1 . VAL 39 39 51381 1 . VAL 40 40 51381 1 . ASP 41 41 51381 1 . ASP 42 42 51381 1 . GLU 43 43 51381 1 . ASP 44 44 51381 1 . ASP 45 45 51381 1 . SER 46 46 51381 1 . ASP 47 47 51381 1 . SER 48 48 51381 1 . ASP 49 49 51381 1 . PHE 50 50 51381 1 . GLU 51 51 51381 1 . ASP 52 52 51381 1 . GLU 53 53 51381 1 . PHE 54 54 51381 1 . ASP 55 55 51381 1 . GLU 56 56 51381 1 . ASN 57 57 51381 1 . GLU 58 58 51381 1 . THR 59 59 51381 1 . LEU 60 60 51381 1 . LEU 61 61 51381 1 . ASP 62 62 51381 1 . ARG 63 63 51381 1 . ILE 64 64 51381 1 . VAL 65 65 51381 1 . ALA 66 66 51381 1 . LEU 67 67 51381 1 . LYS 68 68 51381 1 . ASP 69 69 51381 1 . ILE 70 70 51381 1 . VAL 71 71 51381 1 . PRO 72 72 51381 1 . PRO 73 73 51381 1 . GLY 74 74 51381 1 . LYS 75 75 51381 1 . ARG 76 76 51381 1 . LEU 77 77 51381 1 . GLU 78 78 51381 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51381 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . TOM22 . 51381 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51381 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET47b-TEV-GB1-His6 . . 'coding for cleavable C-terminal GB1-His6 solubility and purification tag' 51381 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51381 _Sample.ID 1 _Sample.Name Tom22(1-74) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Tom22(1-74) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.75 0.6 0.9 mM . . . . 51381 1 2 H2O 'natural abundance' . . . . . . 55.5 . . M . . . . 51381 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51381 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51381 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 51381 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'phosphate buffer' _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 pH 6 . pH 51381 1 temperature 300 . K 51381 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51381 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51381 1 processing . 51381 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51381 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51381 2 'peak picking' . 51381 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51381 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51381 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51381 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51381 4 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 51381 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '850MHz cryo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51381 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '700MHz cryo' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51381 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51381 1 2 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51381 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51381 1 4 '3D hNcocaNH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51381 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51381 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51381 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 51381 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect . . . . . . 51381 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51381 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 51381 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 51381 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone Assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51381 1 2 '3D CBCANH' . . . 51381 1 3 '3D CBCA(CO)NH' . . . 51381 1 4 '3D hNcocaNH' . . . 51381 1 5 '3D HNCO' . . . 51381 1 6 '3D HN(CA)CO' . . . 51381 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51381 1 3 $software_3 . . 51381 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 3 3 MET H H 1 8.441805775 0.0012608139 . . . . . . . 1 MET H . 51381 1 2 . 1 . 1 3 3 MET CA C 13 55.53439266 0.0204614349 . . . . . . . 1 MET CA . 51381 1 3 . 1 . 1 3 3 MET CB C 13 32.82187825 0.0389363765 . . . . . . . 1 MET CB . 51381 1 4 . 1 . 1 3 3 MET N N 15 123.4124741 0.0189081215 . . . . . . . 1 MET N . 51381 1 5 . 1 . 1 4 4 VAL H H 1 8.111334144 0.0015483458 . . . . . . . 2 VAL H . 51381 1 6 . 1 . 1 4 4 VAL C C 13 175.7667414 0.0016313898 . . . . . . . 2 VAL C . 51381 1 7 . 1 . 1 4 4 VAL CA C 13 62.33995045 0.0423258059 . . . . . . . 2 VAL CA . 51381 1 8 . 1 . 1 4 4 VAL CB C 13 32.76346374 0.0710333069 . . . . . . . 2 VAL CB . 51381 1 9 . 1 . 1 4 4 VAL N N 15 122.6593737 0.0531155843 . . . . . . . 2 VAL N . 51381 1 10 . 1 . 1 5 5 GLU H H 1 8.417561829 0.001235157 . . . . . . . 3 GLU H . 51381 1 11 . 1 . 1 5 5 GLU C C 13 176.1396583 0.0139816557 . . . . . . . 3 GLU C . 51381 1 12 . 1 . 1 5 5 GLU CA C 13 56.34922881 0.0295947835 . . . . . . . 3 GLU CA . 51381 1 13 . 1 . 1 5 5 GLU CB C 13 30.17847033 0.1012028429 . . . . . . . 3 GLU CB . 51381 1 14 . 1 . 1 5 5 GLU N N 15 125.3737556 0.1166028836 . . . . . . . 3 GLU N . 51381 1 15 . 1 . 1 6 6 LEU H H 1 8.240128781 0.0102915977 . . . . . . . 4 LEU H . 51381 1 16 . 1 . 1 6 6 LEU C C 13 177.3220736 0.0226187894 . . . . . . . 4 LEU C . 51381 1 17 . 1 . 1 6 6 LEU CA C 13 55.24681595 0.0232836085 . . . . . . . 4 LEU CA . 51381 1 18 . 1 . 1 6 6 LEU CB C 13 42.24511092 0.018764024 . . . . . . . 4 LEU CB . 51381 1 19 . 1 . 1 6 6 LEU N N 15 124.4088604 0.0607112554 . . . . . . . 4 LEU N . 51381 1 20 . 1 . 1 7 7 THR H H 1 7.987987616 0.0090294168 . . . . . . . 5 THR H . 51381 1 21 . 1 . 1 7 7 THR C C 13 174.2040389 0.0113110463 . . . . . . . 5 THR C . 51381 1 22 . 1 . 1 7 7 THR CA C 13 61.88146107 0.0032026139 . . . . . . . 5 THR CA . 51381 1 23 . 1 . 1 7 7 THR CB C 13 69.77823526 0.0228461117 . . . . . . . 5 THR CB . 51381 1 24 . 1 . 1 7 7 THR N N 15 115.3450504 0.0629762977 . . . . . . . 5 THR N . 51381 1 25 . 1 . 1 8 8 GLU H H 1 8.221349068 0.0053636198 . . . . . . . 6 GLU H . 51381 1 26 . 1 . 1 8 8 GLU C C 13 175.8655266 0.0313056354 . . . . . . . 6 GLU C . 51381 1 27 . 1 . 1 8 8 GLU CA C 13 56.35602205 0.0957935821 . . . . . . . 6 GLU CA . 51381 1 28 . 1 . 1 8 8 GLU CB C 13 30.54664075 0.1222914905 . . . . . . . 6 GLU CB . 51381 1 29 . 1 . 1 8 8 GLU N N 15 123.922731 0.0328448758 . . . . . . . 6 GLU N . 51381 1 30 . 1 . 1 9 9 ILE H H 1 8.119764905 0.0054758665 . . . . . . . 7 ILE H . 51381 1 31 . 1 . 1 9 9 ILE C C 13 175.9735242 0.030327458 . . . . . . . 7 ILE C . 51381 1 32 . 1 . 1 9 9 ILE CA C 13 60.85587151 0.0771855887 . . . . . . . 7 ILE CA . 51381 1 33 . 1 . 1 9 9 ILE CB C 13 38.34246461 0.0453018914 . . . . . . . 7 ILE CB . 51381 1 34 . 1 . 1 9 9 ILE N N 15 123.8947749 0.0534241455 . . . . . . . 7 ILE N . 51381 1 35 . 1 . 1 10 10 LYS H H 1 8.316100977 0.0037228513 . . . . . . . 8 LYS H . 51381 1 36 . 1 . 1 10 10 LYS C C 13 175.9417527 0.0341882105 . . . . . . . 8 LYS C . 51381 1 37 . 1 . 1 10 10 LYS CA C 13 56.01394766 0.2674042779 . . . . . . . 8 LYS CA . 51381 1 38 . 1 . 1 10 10 LYS CB C 13 33.26984269 0.1086903179 . . . . . . . 8 LYS CB . 51381 1 39 . 1 . 1 10 10 LYS N N 15 127.0830035 0.0342787224 . . . . . . . 8 LYS N . 51381 1 40 . 1 . 1 11 11 ASP H H 1 8.213938917 0.0050534895 . . . . . . . 9 ASP H . 51381 1 41 . 1 . 1 11 11 ASP C C 13 175.8143797 0.0769483041 . . . . . . . 9 ASP C . 51381 1 42 . 1 . 1 11 11 ASP CA C 13 54.14410811 0.2715009292 . . . . . . . 9 ASP CA . 51381 1 43 . 1 . 1 11 11 ASP CB C 13 41.24568839 0.1071854848 . . . . . . . 9 ASP CB . 51381 1 44 . 1 . 1 11 11 ASP N N 15 122.4811709 0.0569736966 . . . . . . . 9 ASP N . 51381 1 45 . 1 . 1 12 12 ASP H H 1 8.205104573 0.0039003437 . . . . . . . 10 ASP H . 51381 1 46 . 1 . 1 12 12 ASP C C 13 175.9613284 0.0557812576 . . . . . . . 10 ASP C . 51381 1 47 . 1 . 1 12 12 ASP CA C 13 54.39492662 0.1333186442 . . . . . . . 10 ASP CA . 51381 1 48 . 1 . 1 12 12 ASP CB C 13 41.10512639 0.016931213 . . . . . . . 10 ASP CB . 51381 1 49 . 1 . 1 12 12 ASP N N 15 121.0165031 0.0583916838 . . . . . . . 10 ASP N . 51381 1 50 . 1 . 1 13 13 VAL H H 1 7.884147308 0.0059517755 . . . . . . . 11 VAL H . 51381 1 51 . 1 . 1 13 13 VAL C C 13 176.1356701 0.0061611229 . . . . . . . 11 VAL C . 51381 1 52 . 1 . 1 13 13 VAL CA C 13 62.07575218 0.171998197 . . . . . . . 11 VAL CA . 51381 1 53 . 1 . 1 13 13 VAL CB C 13 32.69773509 0.0087931668 . . . . . . . 11 VAL CB . 51381 1 54 . 1 . 1 13 13 VAL N N 15 120.8274575 0.088918814 . . . . . . . 11 VAL N . 51381 1 55 . 1 . 1 14 14 VAL H H 1 8.066424834 0.0027891483 . . . . . . . 12 VAL H . 51381 1 56 . 1 . 1 14 14 VAL C C 13 175.8351865 0.0435907421 . . . . . . . 12 VAL C . 51381 1 57 . 1 . 1 14 14 VAL CA C 13 62.18380859 0.1799061191 . . . . . . . 12 VAL CA . 51381 1 58 . 1 . 1 14 14 VAL CB C 13 32.58666494 0.1022769883 . . . . . . . 12 VAL CB . 51381 1 59 . 1 . 1 14 14 VAL N N 15 125.1910137 0.0516436519 . . . . . . . 12 VAL N . 51381 1 60 . 1 . 1 15 15 GLN H H 1 8.346381227 0.0030186432 . . . . . . . 13 GLN H . 51381 1 61 . 1 . 1 15 15 GLN C C 13 175.4816655 0.0177250746 . . . . . . . 13 GLN C . 51381 1 62 . 1 . 1 15 15 GLN CA C 13 55.34135087 0.0032972418 . . . . . . . 13 GLN CA . 51381 1 63 . 1 . 1 15 15 GLN CB C 13 29.43566891 0.1001452337 . . . . . . . 13 GLN CB . 51381 1 64 . 1 . 1 15 15 GLN N N 15 125.5696157 0.0171087536 . . . . . . . 13 GLN N . 51381 1 65 . 1 . 1 16 16 LEU H H 1 8.223084438 0.0039933536 . . . . . . . 14 LEU H . 51381 1 66 . 1 . 1 16 16 LEU C C 13 176.8139744 0.0081007764 . . . . . . . 14 LEU C . 51381 1 67 . 1 . 1 16 16 LEU CA C 13 55.0765227 0.0205513747 . . . . . . . 14 LEU CA . 51381 1 68 . 1 . 1 16 16 LEU CB C 13 42.69511784 0.0590853184 . . . . . . . 14 LEU CB . 51381 1 69 . 1 . 1 16 16 LEU N N 15 125.0790893 0.0345401247 . . . . . . . 14 LEU N . 51381 1 70 . 1 . 1 22 22 SER H H 1 8.075963818 0.0012215513 . . . . . . . 20 SER H . 51381 1 71 . 1 . 1 22 22 SER C C 13 174.5072231 0.0066642595 . . . . . . . 20 SER C . 51381 1 72 . 1 . 1 22 22 SER CA C 13 58.28139368 0.0429512945 . . . . . . . 20 SER CA . 51381 1 73 . 1 . 1 22 22 SER CB C 13 63.73400955 0.0032974408 . . . . . . . 20 SER CB . 51381 1 74 . 1 . 1 22 22 SER N N 15 117.4352187 0.0247216289 . . . . . . . 20 SER N . 51381 1 75 . 1 . 1 23 23 ARG H H 1 8.188963561 0.0011297826 . . . . . . . 21 ARG H . 51381 1 76 . 1 . 1 23 23 ARG C C 13 176.1159835 0.0064514713 . . . . . . . 21 ARG C . 51381 1 77 . 1 . 1 23 23 ARG CA C 13 56.31406078 0.0060794972 . . . . . . . 21 ARG CA . 51381 1 78 . 1 . 1 23 23 ARG CB C 13 30.60293026 0.0351506113 . . . . . . . 21 ARG CB . 51381 1 79 . 1 . 1 23 23 ARG N N 15 123.3413453 0.0299475343 . . . . . . . 21 ARG N . 51381 1 80 . 1 . 1 24 24 ASN H H 1 8.28251508 0.0012760748 . . . . . . . 22 ASN H . 51381 1 81 . 1 . 1 24 24 ASN C C 13 175.1762451 0.0089312772 . . . . . . . 22 ASN C . 51381 1 82 . 1 . 1 24 24 ASN CA C 13 53.57675796 0.1206362947 . . . . . . . 22 ASN CA . 51381 1 83 . 1 . 1 24 24 ASN CB C 13 38.69118755 0.0271687663 . . . . . . . 22 ASN CB . 51381 1 84 . 1 . 1 24 24 ASN N N 15 119.8941169 0.0217181336 . . . . . . . 22 ASN N . 51381 1 85 . 1 . 1 25 25 GLN H H 1 8.165118521 0.0030356126 . . . . . . . 23 GLN H . 51381 1 86 . 1 . 1 25 25 GLN C C 13 175.471384 0.0415299135 . . . . . . . 23 GLN C . 51381 1 87 . 1 . 1 25 25 GLN CA C 13 55.94087657 0.0456926738 . . . . . . . 23 GLN CA . 51381 1 88 . 1 . 1 25 25 GLN CB C 13 29.45140532 0.0201643881 . . . . . . . 23 GLN CB . 51381 1 89 . 1 . 1 25 25 GLN N N 15 121.3512556 0.084733677 . . . . . . . 23 GLN N . 51381 1 90 . 1 . 1 26 26 ALA H H 1 8.126503279 0.0024898108 . . . . . . . 24 ALA H . 51381 1 91 . 1 . 1 26 26 ALA C C 13 177.5354215 0.0009413939 . . . . . . . 24 ALA C . 51381 1 92 . 1 . 1 26 26 ALA CA C 13 52.58823296 0.0127486688 . . . . . . . 24 ALA CA . 51381 1 93 . 1 . 1 26 26 ALA CB C 13 19.02893695 0.0107665267 . . . . . . . 24 ALA CB . 51381 1 94 . 1 . 1 26 26 ALA N N 15 125.4453568 0.0490688401 . . . . . . . 24 ALA N . 51381 1 95 . 1 . 1 27 27 ILE H H 1 7.940068634 0.0027639094 . . . . . . . 25 ILE H . 51381 1 96 . 1 . 1 27 27 ILE C C 13 176.2369278 0.0120134432 . . . . . . . 25 ILE C . 51381 1 97 . 1 . 1 27 27 ILE CA C 13 61.10046329 0.0332400718 . . . . . . . 25 ILE CA . 51381 1 98 . 1 . 1 27 27 ILE CB C 13 38.56880407 0.1135600289 . . . . . . . 25 ILE CB . 51381 1 99 . 1 . 1 27 27 ILE N N 15 120.8561498 0.0344713789 . . . . . . . 25 ILE N . 51381 1 100 . 1 . 1 28 28 VAL H H 1 8.06099963 0.0031267272 . . . . . . . 26 VAL H . 51381 1 101 . 1 . 1 28 28 VAL C C 13 175.9045218 0.0268501886 . . . . . . . 26 VAL C . 51381 1 102 . 1 . 1 28 28 VAL CA C 13 62.35933334 0.0653266955 . . . . . . . 26 VAL CA . 51381 1 103 . 1 . 1 28 28 VAL CB C 13 32.69312967 0.0015145715 . . . . . . . 26 VAL CB . 51381 1 104 . 1 . 1 28 28 VAL N N 15 125.3699532 0.0327392447 . . . . . . . 26 VAL N . 51381 1 105 . 1 . 1 29 29 GLU H H 1 8.337673619 0.002872025 . . . . . . . 27 GLU H . 51381 1 106 . 1 . 1 29 29 GLU C C 13 176.2435807 0.0055598136 . . . . . . . 27 GLU C . 51381 1 107 . 1 . 1 29 29 GLU CA C 13 56.43540379 0.0563259632 . . . . . . . 27 GLU CA . 51381 1 108 . 1 . 1 29 29 GLU CB C 13 30.45703509 0.0403122708 . . . . . . . 27 GLU CB . 51381 1 109 . 1 . 1 29 29 GLU N N 15 125.7154852 0.0391352767 . . . . . . . 27 GLU N . 51381 1 110 . 1 . 1 30 30 GLU H H 1 8.34784273 0.0035225144 . . . . . . . 28 GLU H . 51381 1 111 . 1 . 1 30 30 GLU C C 13 176.4112731 0.0378497395 . . . . . . . 28 GLU C . 51381 1 112 . 1 . 1 30 30 GLU CA C 13 56.63382901 0.0522580202 . . . . . . . 28 GLU CA . 51381 1 113 . 1 . 1 30 30 GLU CB C 13 30.22397895 0.048242261 . . . . . . . 28 GLU CB . 51381 1 114 . 1 . 1 30 30 GLU N N 15 123.7482344 0.0292147665 . . . . . . . 28 GLU N . 51381 1 115 . 1 . 1 31 31 LYS H H 1 8.2613679 0.0027489241 . . . . . . . 29 LYS H . 51381 1 116 . 1 . 1 31 31 LYS C C 13 176.3531839 0.00727485 . . . . . . . 29 LYS C . 51381 1 117 . 1 . 1 31 31 LYS CA C 13 56.21791598 0.0657867303 . . . . . . . 29 LYS CA . 51381 1 118 . 1 . 1 31 31 LYS CB C 13 32.98893857 0.0197441392 . . . . . . . 29 LYS CB . 51381 1 119 . 1 . 1 31 31 LYS N N 15 123.3413665 0.0572144744 . . . . . . . 29 LYS N . 51381 1 120 . 1 . 1 32 32 ALA H H 1 8.24279734 0.0014752037 . . . . . . . 30 ALA H . 51381 1 121 . 1 . 1 32 32 ALA C C 13 177.8320874 0.0152957598 . . . . . . . 30 ALA C . 51381 1 122 . 1 . 1 32 32 ALA CA C 13 52.58213406 0.0368453751 . . . . . . . 30 ALA CA . 51381 1 123 . 1 . 1 32 32 ALA CB C 13 19.16128102 0.0208995288 . . . . . . . 30 ALA CB . 51381 1 124 . 1 . 1 32 32 ALA N N 15 126.0185741 0.0189371653 . . . . . . . 30 ALA N . 51381 1 125 . 1 . 1 33 33 SER H H 1 8.16401064 0.0009812696 . . . . . . . 31 SER H . 51381 1 126 . 1 . 1 33 33 SER C C 13 174.3498467 0.0090989258 . . . . . . . 31 SER C . 51381 1 127 . 1 . 1 33 33 SER CA C 13 58.222894 0.0147034152 . . . . . . . 31 SER CA . 51381 1 128 . 1 . 1 33 33 SER CB C 13 63.80693347 0.020818965 . . . . . . . 31 SER CB . 51381 1 129 . 1 . 1 33 33 SER N N 15 115.7224842 0.022398693 . . . . . . . 31 SER N . 51381 1 130 . 1 . 1 34 34 ALA H H 1 8.223010932 0.0009148374 . . . . . . . 32 ALA H . 51381 1 131 . 1 . 1 34 34 ALA C C 13 177.810221 0.0074111 . . . . . . . 32 ALA C . 51381 1 132 . 1 . 1 34 34 ALA CA C 13 52.5394436 0.0217966748 . . . . . . . 32 ALA CA . 51381 1 133 . 1 . 1 34 34 ALA CB C 13 19.34339274 0.0253244432 . . . . . . . 32 ALA CB . 51381 1 134 . 1 . 1 34 34 ALA N N 15 126.6678212 0.0186830531 . . . . . . . 32 ALA N . 51381 1 135 . 1 . 1 35 35 THR H H 1 8.029086076 0.0009468388 . . . . . . . 33 THR H . 51381 1 136 . 1 . 1 35 35 THR C C 13 174.2469816 0.0043976267 . . . . . . . 33 THR C . 51381 1 137 . 1 . 1 35 35 THR CA C 13 61.67208095 0.0129776576 . . . . . . . 33 THR CA . 51381 1 138 . 1 . 1 35 35 THR CB C 13 69.85739251 0.0208906316 . . . . . . . 33 THR CB . 51381 1 139 . 1 . 1 35 35 THR N N 15 113.4102626 0.0201721321 . . . . . . . 33 THR N . 51381 1 140 . 1 . 1 36 36 ASN H H 1 8.300442739 0.0011424974 . . . . . . . 34 ASN H . 51381 1 141 . 1 . 1 36 36 ASN C C 13 174.7427782 0.0040637364 . . . . . . . 34 ASN C . 51381 1 142 . 1 . 1 36 36 ASN CA C 13 53.20527765 0.0225923784 . . . . . . . 34 ASN CA . 51381 1 143 . 1 . 1 36 36 ASN CB C 13 38.94180828 0.008198109 . . . . . . . 34 ASN CB . 51381 1 144 . 1 . 1 36 36 ASN N N 15 121.3847253 0.0273211742 . . . . . . . 34 ASN N . 51381 1 145 . 1 . 1 37 37 ASN H H 1 8.326300569 0.0022000781 . . . . . . . 35 ASN H . 51381 1 146 . 1 . 1 37 37 ASN C C 13 174.705863 0.0130221069 . . . . . . . 35 ASN C . 51381 1 147 . 1 . 1 37 37 ASN CA C 13 53.24968475 0.0147039879 . . . . . . . 35 ASN CA . 51381 1 148 . 1 . 1 37 37 ASN CB C 13 38.98580518 0.0020614565 . . . . . . . 35 ASN CB . 51381 1 149 . 1 . 1 37 37 ASN N N 15 120.0828541 0.0230712274 . . . . . . . 35 ASN N . 51381 1 150 . 1 . 1 38 38 ASP H H 1 8.212070588 0.0050177442 . . . . . . . 36 ASP H . 51381 1 151 . 1 . 1 38 38 ASP C C 13 175.9129663 0.0565691108 . . . . . . . 36 ASP C . 51381 1 152 . 1 . 1 38 38 ASP CA C 13 54.28970541 0.025981768 . . . . . . . 36 ASP CA . 51381 1 153 . 1 . 1 38 38 ASP CB C 13 40.81179552 0.0094709478 . . . . . . . 36 ASP CB . 51381 1 154 . 1 . 1 38 38 ASP N N 15 121.2226522 0.0429741037 . . . . . . . 36 ASP N . 51381 1 155 . 1 . 1 39 39 VAL H H 1 7.890892311 0.0043415473 . . . . . . . 37 VAL H . 51381 1 156 . 1 . 1 39 39 VAL C C 13 175.9636182 0.0367559334 . . . . . . . 37 VAL C . 51381 1 157 . 1 . 1 39 39 VAL CA C 13 62.37767851 0.0611144053 . . . . . . . 37 VAL CA . 51381 1 158 . 1 . 1 39 39 VAL CB C 13 32.82526331 0.0662560518 . . . . . . . 37 VAL CB . 51381 1 159 . 1 . 1 39 39 VAL N N 15 120.8232721 0.0252709209 . . . . . . . 37 VAL N . 51381 1 160 . 1 . 1 40 40 VAL H H 1 8.130663869 0.0038973081 . . . . . . . 38 VAL H . 51381 1 161 . 1 . 1 40 40 VAL C C 13 175.622899 0.0309729723 . . . . . . . 38 VAL C . 51381 1 162 . 1 . 1 40 40 VAL CA C 13 61.88614241 0.027622846 . . . . . . . 38 VAL CA . 51381 1 163 . 1 . 1 40 40 VAL CB C 13 32.92945011 0.0092915628 . . . . . . . 38 VAL CB . 51381 1 164 . 1 . 1 40 40 VAL N N 15 125.0819128 0.0444708226 . . . . . . . 38 VAL N . 51381 1 165 . 1 . 1 41 41 ASP H H 1 8.294559368 0.003587014 . . . . . . . 39 ASP H . 51381 1 166 . 1 . 1 41 41 ASP C C 13 175.6761601 0.033630315 . . . . . . . 39 ASP C . 51381 1 167 . 1 . 1 41 41 ASP CA C 13 54.19780099 0.0601812115 . . . . . . . 39 ASP CA . 51381 1 168 . 1 . 1 41 41 ASP CB C 13 41.29012623 0.1460821356 . . . . . . . 39 ASP CB . 51381 1 169 . 1 . 1 41 41 ASP N N 15 125.3974463 0.0382857533 . . . . . . . 39 ASP N . 51381 1 170 . 1 . 1 42 42 ASP H H 1 8.199187773 0.0062590624 . . . . . . . 40 ASP H . 51381 1 171 . 1 . 1 42 42 ASP C C 13 176.0010935 0.1718749416 . . . . . . . 40 ASP C . 51381 1 172 . 1 . 1 42 42 ASP CA C 13 54.17271088 0.0239337902 . . . . . . . 40 ASP CA . 51381 1 173 . 1 . 1 42 42 ASP CB C 13 41.51222883 0.1491711705 . . . . . . . 40 ASP CB . 51381 1 174 . 1 . 1 42 42 ASP N N 15 121.9044532 0.0454998359 . . . . . . . 40 ASP N . 51381 1 175 . 1 . 1 43 43 GLU H H 1 8.245764377 0.0095781163 . . . . . . . 41 GLU H . 51381 1 176 . 1 . 1 43 43 GLU C C 13 176.1486437 0.0455911567 . . . . . . . 41 GLU C . 51381 1 177 . 1 . 1 43 43 GLU CA C 13 56.45639876 0.044689188 . . . . . . . 41 GLU CA . 51381 1 178 . 1 . 1 43 43 GLU CB C 13 30.25201472 0.1082278282 . . . . . . . 41 GLU CB . 51381 1 179 . 1 . 1 43 43 GLU N N 15 121.6380532 0.0416070376 . . . . . . . 41 GLU N . 51381 1 180 . 1 . 1 44 44 ASP H H 1 8.257922391 0.002504572 . . . . . . . 42 ASP H . 51381 1 181 . 1 . 1 44 44 ASP C C 13 175.9051617 0.0363722298 . . . . . . . 42 ASP C . 51381 1 182 . 1 . 1 44 44 ASP CA C 13 54.30703514 0.0459288716 . . . . . . . 42 ASP CA . 51381 1 183 . 1 . 1 44 44 ASP CB C 13 41.34301859 0.1149621757 . . . . . . . 42 ASP CB . 51381 1 184 . 1 . 1 44 44 ASP N N 15 122.2896517 0.0645237318 . . . . . . . 42 ASP N . 51381 1 185 . 1 . 1 45 45 ASP H H 1 8.237454758 0.0053321921 . . . . . . . 43 ASP H . 51381 1 186 . 1 . 1 45 45 ASP C C 13 176.4546801 0.0326007382 . . . . . . . 43 ASP C . 51381 1 187 . 1 . 1 45 45 ASP CA C 13 54.03030829 0.0631535871 . . . . . . . 43 ASP CA . 51381 1 188 . 1 . 1 45 45 ASP CB C 13 40.97657524 0.1477666369 . . . . . . . 43 ASP CB . 51381 1 189 . 1 . 1 45 45 ASP N N 15 122.6842077 0.0772831539 . . . . . . . 43 ASP N . 51381 1 190 . 1 . 1 46 46 SER H H 1 8.203190019 0.0034801381 . . . . . . . 44 SER H . 51381 1 191 . 1 . 1 46 46 SER C C 13 174.4950817 0.0104115472 . . . . . . . 44 SER C . 51381 1 192 . 1 . 1 46 46 SER CA C 13 58.90651617 0.0993812058 . . . . . . . 44 SER CA . 51381 1 193 . 1 . 1 46 46 SER CB C 13 63.90939915 0.1270625949 . . . . . . . 44 SER CB . 51381 1 194 . 1 . 1 46 46 SER N N 15 116.964713 0.0320652292 . . . . . . . 44 SER N . 51381 1 195 . 1 . 1 47 47 ASP H H 1 8.310783547 0.0034090283 . . . . . . . 45 ASP H . 51381 1 196 . 1 . 1 47 47 ASP C C 13 176.2784474 0.0545295697 . . . . . . . 45 ASP C . 51381 1 197 . 1 . 1 47 47 ASP CA C 13 54.32023822 0.1060535893 . . . . . . . 45 ASP CA . 51381 1 198 . 1 . 1 47 47 ASP CB C 13 41.11559825 0.0014640447 . . . . . . . 45 ASP CB . 51381 1 199 . 1 . 1 47 47 ASP N N 15 122.987668 0.0752522822 . . . . . . . 45 ASP N . 51381 1 200 . 1 . 1 48 48 SER H H 1 8.065949465 0.0043017916 . . . . . . . 46 SER H . 51381 1 201 . 1 . 1 48 48 SER C C 13 174.1068068 0.0132075339 . . . . . . . 46 SER C . 51381 1 202 . 1 . 1 48 48 SER CA C 13 59.77815442 2.406558765 . . . . . . . 46 SER CA . 51381 1 203 . 1 . 1 48 48 SER CB C 13 63.98642879 0.0664894181 . . . . . . . 46 SER CB . 51381 1 204 . 1 . 1 48 48 SER N N 15 116.4486482 0.040734127 . . . . . . . 46 SER N . 51381 1 205 . 1 . 1 49 49 ASP H H 1 8.185638647 0.0040835948 . . . . . . . 47 ASP H . 51381 1 206 . 1 . 1 49 49 ASP C C 13 175.6501543 0.0876472209 . . . . . . . 47 ASP C . 51381 1 207 . 1 . 1 49 49 ASP CA C 13 54.23355478 0.0260096645 . . . . . . . 47 ASP CA . 51381 1 208 . 1 . 1 49 49 ASP CB C 13 41.01058654 0.1749471149 . . . . . . . 47 ASP CB . 51381 1 209 . 1 . 1 49 49 ASP N N 15 122.9161182 0.0988999219 . . . . . . . 47 ASP N . 51381 1 210 . 1 . 1 50 50 PHE H H 1 7.989193697 0.0420394513 . . . . . . . 48 PHE H . 51381 1 211 . 1 . 1 50 50 PHE C C 13 175.5849684 0.0538237985 . . . . . . . 48 PHE C . 51381 1 212 . 1 . 1 50 50 PHE CA C 13 57.60625879 0.0834931298 . . . . . . . 48 PHE CA . 51381 1 213 . 1 . 1 50 50 PHE CB C 13 39.60065045 0.1272030177 . . . . . . . 48 PHE CB . 51381 1 214 . 1 . 1 50 50 PHE N N 15 120.9922862 0.5779382439 . . . . . . . 48 PHE N . 51381 1 215 . 1 . 1 51 51 GLU H H 1 8.158183067 0.0071163463 . . . . . . . 49 GLU H . 51381 1 216 . 1 . 1 51 51 GLU C C 13 175.6557293 0.0096000851 . . . . . . . 49 GLU C . 51381 1 217 . 1 . 1 51 51 GLU CA C 13 56.16689253 0.0599971353 . . . . . . . 49 GLU CA . 51381 1 218 . 1 . 1 51 51 GLU CB C 13 30.43608981 0.175880254 . . . . . . . 49 GLU CB . 51381 1 219 . 1 . 1 51 51 GLU N N 15 123.3774943 0.0869506352 . . . . . . . 49 GLU N . 51381 1 220 . 1 . 1 52 52 ASP H H 1 8.14162609 0.0023091057 . . . . . . . 50 ASP H . 51381 1 221 . 1 . 1 52 52 ASP C C 13 175.9254106 0.0424613403 . . . . . . . 50 ASP C . 51381 1 222 . 1 . 1 52 52 ASP CA C 13 54.24448279 0.0466122968 . . . . . . . 50 ASP CA . 51381 1 223 . 1 . 1 52 52 ASP CB C 13 41.42846785 0.0786858823 . . . . . . . 50 ASP CB . 51381 1 224 . 1 . 1 52 52 ASP N N 15 122.3680717 0.0862113441 . . . . . . . 50 ASP N . 51381 1 225 . 1 . 1 53 53 GLU H H 1 8.184865653 0.0131457228 . . . . . . . 51 GLU H . 51381 1 226 . 1 . 1 53 53 GLU C C 13 175.966222 0.1313745177 . . . . . . . 51 GLU C . 51381 1 227 . 1 . 1 53 53 GLU CA C 13 56.42069242 0.031592948 . . . . . . . 51 GLU CA . 51381 1 228 . 1 . 1 53 53 GLU CB C 13 30.23088125 0.147249192 . . . . . . . 51 GLU CB . 51381 1 229 . 1 . 1 53 53 GLU N N 15 121.7735967 0.0762630282 . . . . . . . 51 GLU N . 51381 1 230 . 1 . 1 54 54 PHE H H 1 8.135069511 0.0052190232 . . . . . . . 52 PHE H . 51381 1 231 . 1 . 1 54 54 PHE C C 13 175.8474847 0.4686485451 . . . . . . . 52 PHE C . 51381 1 232 . 1 . 1 54 54 PHE CA C 13 57.45713876 0.041382121 . . . . . . . 52 PHE CA . 51381 1 233 . 1 . 1 54 54 PHE CB C 13 39.77387796 0.0694744161 . . . . . . . 52 PHE CB . 51381 1 234 . 1 . 1 54 54 PHE N N 15 121.7399482 0.0745915971 . . . . . . . 52 PHE N . 51381 1 235 . 1 . 1 55 55 ASP H H 1 8.189505326 0.0145689254 . . . . . . . 53 ASP H . 51381 1 236 . 1 . 1 55 55 ASP C C 13 176.1418161 0.1413937588 . . . . . . . 53 ASP C . 51381 1 237 . 1 . 1 55 55 ASP CA C 13 53.85635834 0.0996988017 . . . . . . . 53 ASP CA . 51381 1 238 . 1 . 1 55 55 ASP CB C 13 41.44233619 0.1441440115 . . . . . . . 53 ASP CB . 51381 1 239 . 1 . 1 55 55 ASP N N 15 123.6750233 0.1111629508 . . . . . . . 53 ASP N . 51381 1 240 . 1 . 1 56 56 GLU H H 1 8.384935352 0.0068105875 . . . . . . . 54 GLU H . 51381 1 241 . 1 . 1 56 56 GLU C C 13 176.4845655 0.0081939571 . . . . . . . 54 GLU C . 51381 1 242 . 1 . 1 56 56 GLU CA C 13 57.11770318 0.0495900213 . . . . . . . 54 GLU CA . 51381 1 243 . 1 . 1 56 56 GLU CB C 13 29.78518552 0.0914274006 . . . . . . . 54 GLU CB . 51381 1 244 . 1 . 1 56 56 GLU N N 15 123.088237 0.1190741417 . . . . . . . 54 GLU N . 51381 1 245 . 1 . 1 57 57 ASN H H 1 8.373020163 0.0099224814 . . . . . . . 55 ASN H . 51381 1 246 . 1 . 1 57 57 ASN C C 13 175.5355799 0.0088168281 . . . . . . . 55 ASN C . 51381 1 247 . 1 . 1 57 57 ASN CA C 13 53.85467131 0.0201647103 . . . . . . . 55 ASN CA . 51381 1 248 . 1 . 1 57 57 ASN CB C 13 39.0094928 0.0063720778 . . . . . . . 55 ASN CB . 51381 1 249 . 1 . 1 57 57 ASN N N 15 119.2559649 0.0643768198 . . . . . . . 55 ASN N . 51381 1 250 . 1 . 1 58 58 GLU H H 1 8.136948666 0.0055763878 . . . . . . . 56 GLU H . 51381 1 251 . 1 . 1 58 58 GLU C C 13 176.6991766 0.0033827284 . . . . . . . 56 GLU C . 51381 1 252 . 1 . 1 58 58 GLU CA C 13 57.29403558 0.0463198718 . . . . . . . 56 GLU CA . 51381 1 253 . 1 . 1 58 58 GLU CB C 13 29.98108956 0.0126887653 . . . . . . . 56 GLU CB . 51381 1 254 . 1 . 1 58 58 GLU N N 15 121.3945749 0.0500859922 . . . . . . . 56 GLU N . 51381 1 255 . 1 . 1 59 59 THR H H 1 8.082699704 0.0043144182 . . . . . . . 57 THR H . 51381 1 256 . 1 . 1 59 59 THR C C 13 174.7168632 0.0079650683 . . . . . . . 57 THR C . 51381 1 257 . 1 . 1 59 59 THR CA C 13 62.40458762 0.0281947121 . . . . . . . 57 THR CA . 51381 1 258 . 1 . 1 59 59 THR CB C 13 69.61777503 0.0543288964 . . . . . . . 57 THR CB . 51381 1 259 . 1 . 1 59 59 THR N N 15 115.341279 0.0527036993 . . . . . . . 57 THR N . 51381 1 260 . 1 . 1 60 60 LEU H H 1 8.025037048 0.0101115122 . . . . . . . 58 LEU H . 51381 1 261 . 1 . 1 60 60 LEU C C 13 177.5299674 0.0113814796 . . . . . . . 58 LEU C . 51381 1 262 . 1 . 1 60 60 LEU CA C 13 55.69555795 0.1124154426 . . . . . . . 58 LEU CA . 51381 1 263 . 1 . 1 60 60 LEU CB C 13 42.0383206 0.1212865472 . . . . . . . 58 LEU CB . 51381 1 264 . 1 . 1 60 60 LEU N N 15 124.6063227 0.0714709521 . . . . . . . 58 LEU N . 51381 1 265 . 1 . 1 61 61 LEU H H 1 7.952331611 0.0071837989 . . . . . . . 59 LEU H . 51381 1 266 . 1 . 1 61 61 LEU C C 13 177.4071093 0.013075799 . . . . . . . 59 LEU C . 51381 1 267 . 1 . 1 61 61 LEU CA C 13 55.85001764 0.04185874 . . . . . . . 59 LEU CA . 51381 1 268 . 1 . 1 61 61 LEU CB C 13 42.20803127 0.0003248301 . . . . . . . 59 LEU CB . 51381 1 269 . 1 . 1 61 61 LEU N N 15 122.3273848 0.0402797925 . . . . . . . 59 LEU N . 51381 1 270 . 1 . 1 62 62 ASP H H 1 8.053990428 0.0050232783 . . . . . . . 60 ASP H . 51381 1 271 . 1 . 1 62 62 ASP C C 13 176.3718335 0.0036427228 . . . . . . . 60 ASP C . 51381 1 272 . 1 . 1 62 62 ASP CA C 13 54.80686894 0.0260806569 . . . . . . . 60 ASP CA . 51381 1 273 . 1 . 1 62 62 ASP CB C 13 40.88401772 0.0428675492 . . . . . . . 60 ASP CB . 51381 1 274 . 1 . 1 62 62 ASP N N 15 120.2620425 0.0794712863 . . . . . . . 60 ASP N . 51381 1 275 . 1 . 1 63 63 ARG H H 1 7.884558537 0.0082142971 . . . . . . . 61 ARG H . 51381 1 276 . 1 . 1 63 63 ARG C C 13 176.3562358 0.0137211438 . . . . . . . 61 ARG C . 51381 1 277 . 1 . 1 63 63 ARG CA C 13 56.42132202 0.011643337 . . . . . . . 61 ARG CA . 51381 1 278 . 1 . 1 63 63 ARG CB C 13 30.72076339 0.0091675035 . . . . . . . 61 ARG CB . 51381 1 279 . 1 . 1 63 63 ARG N N 15 120.6804548 0.0472331242 . . . . . . . 61 ARG N . 51381 1 280 . 1 . 1 64 64 ILE H H 1 7.966333985 0.0070456311 . . . . . . . 62 ILE H . 51381 1 281 . 1 . 1 64 64 ILE C C 13 176.7040691 0.0202084757 . . . . . . . 62 ILE C . 51381 1 282 . 1 . 1 64 64 ILE CA C 13 61.64383648 0.033725148 . . . . . . . 62 ILE CA . 51381 1 283 . 1 . 1 64 64 ILE CB C 13 38.2361944 0.0969098176 . . . . . . . 62 ILE CB . 51381 1 284 . 1 . 1 64 64 ILE N N 15 121.9907028 0.0369814648 . . . . . . . 62 ILE N . 51381 1 285 . 1 . 1 65 65 VAL H H 1 8.001811086 0.0046094038 . . . . . . . 63 VAL H . 51381 1 286 . 1 . 1 65 65 VAL C C 13 175.8949652 0.0007286321 . . . . . . . 63 VAL C . 51381 1 287 . 1 . 1 65 65 VAL CA C 13 62.7822252 0.1020261349 . . . . . . . 63 VAL CA . 51381 1 288 . 1 . 1 65 65 VAL CB C 13 32.54024668 0.0963764844 . . . . . . . 63 VAL CB . 51381 1 289 . 1 . 1 65 65 VAL N N 15 124.4663706 0.0543304874 . . . . . . . 63 VAL N . 51381 1 290 . 1 . 1 66 66 ALA H H 1 8.1206615 0.0098825155 . . . . . . . 64 ALA H . 51381 1 291 . 1 . 1 66 66 ALA C C 13 177.6532801 0 . . . . . . . 64 ALA C . 51381 1 292 . 1 . 1 66 66 ALA CA C 13 52.45932106 0.113258417 . . . . . . . 64 ALA CA . 51381 1 293 . 1 . 1 66 66 ALA CB C 13 19.18448828 0.0820772612 . . . . . . . 64 ALA CB . 51381 1 294 . 1 . 1 66 66 ALA N N 15 127.3998272 0.0348237041 . . . . . . . 64 ALA N . 51381 1 295 . 1 . 1 67 67 LEU H H 1 7.973041835 0.0063319373 . . . . . . . 65 LEU H . 51381 1 296 . 1 . 1 67 67 LEU C C 13 177.5493964 0.0230523708 . . . . . . . 65 LEU C . 51381 1 297 . 1 . 1 67 67 LEU CA C 13 55.51723416 0.2062902645 . . . . . . . 65 LEU CA . 51381 1 298 . 1 . 1 67 67 LEU CB C 13 42.19637484 0.0201914962 . . . . . . . 65 LEU CB . 51381 1 299 . 1 . 1 67 67 LEU N N 15 121.755212 0.02081768 . . . . . . . 65 LEU N . 51381 1 300 . 1 . 1 68 68 LYS H H 1 8.013257471 0.0025704781 . . . . . . . 66 LYS H . 51381 1 301 . 1 . 1 68 68 LYS C C 13 176.1168123 0.014501445 . . . . . . . 66 LYS C . 51381 1 302 . 1 . 1 68 68 LYS CA C 13 56.51128316 0.0784356566 . . . . . . . 66 LYS CA . 51381 1 303 . 1 . 1 68 68 LYS CB C 13 32.93101789 0.0120431742 . . . . . . . 66 LYS CB . 51381 1 304 . 1 . 1 68 68 LYS N N 15 121.1519762 0.0612471939 . . . . . . . 66 LYS N . 51381 1 305 . 1 . 1 69 69 ASP H H 1 8.079016151 0.0085077596 . . . . . . . 67 ASP H . 51381 1 306 . 1 . 1 69 69 ASP C C 13 175.7717622 0.0064307212 . . . . . . . 67 ASP C . 51381 1 307 . 1 . 1 69 69 ASP CA C 13 54.39389773 0.1090797131 . . . . . . . 67 ASP CA . 51381 1 308 . 1 . 1 69 69 ASP CB C 13 41.11918201 0.0064099081 . . . . . . . 67 ASP CB . 51381 1 309 . 1 . 1 69 69 ASP N N 15 121.0448966 0.1111057781 . . . . . . . 67 ASP N . 51381 1 310 . 1 . 1 70 70 ILE H H 1 7.834302472 0.0031911204 . . . . . . . 68 ILE H . 51381 1 311 . 1 . 1 70 70 ILE C C 13 176.0164205 0.0085738503 . . . . . . . 68 ILE C . 51381 1 312 . 1 . 1 70 70 ILE CA C 13 60.99653557 0.0945136305 . . . . . . . 68 ILE CA . 51381 1 313 . 1 . 1 70 70 ILE CB C 13 38.73252701 0.1126120604 . . . . . . . 68 ILE CB . 51381 1 314 . 1 . 1 70 70 ILE N N 15 121.017985 0.0595715302 . . . . . . . 68 ILE N . 51381 1 315 . 1 . 1 71 71 VAL H H 1 8.094165492 0.00305687 . . . . . . . 69 VAL H . 51381 1 316 . 1 . 1 71 71 VAL C C 13 173.8967514 0.0063544481 . . . . . . . 69 VAL C . 51381 1 317 . 1 . 1 71 71 VAL CA C 13 59.71987259 0.0333378265 . . . . . . . 69 VAL CA . 51381 1 318 . 1 . 1 71 71 VAL CB C 13 32.63004863 0.0157252982 . . . . . . . 69 VAL CB . 51381 1 319 . 1 . 1 71 71 VAL N N 15 127.0439372 0.0321524536 . . . . . . . 69 VAL N . 51381 1 320 . 1 . 1 78 78 GLU H H 1 7.750995079 0.0026206806 . . . . . . . 76 GLU H . 51381 1 321 . 1 . 1 78 78 GLU C C 13 180.8263018 0.0088122483 . . . . . . . 76 GLU C . 51381 1 322 . 1 . 1 78 78 GLU CA C 13 57.80848539 0.0214770114 . . . . . . . 76 GLU CA . 51381 1 323 . 1 . 1 78 78 GLU CB C 13 31.28524278 0.0054728002 . . . . . . . 76 GLU CB . 51381 1 324 . 1 . 1 78 78 GLU N N 15 126.9210615 0.0468467011 . . . . . . . 76 GLU N . 51381 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 51381 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name HN_Tom22_1_74_pH6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 6604084183 . 78894008 . 8.111515815 . 127.3550108 . A 64 ALA H A 64 ALA N 1 . . . 2 2 2 7352450798 . 93978712 . 8.311301807 . 127.0620912 . A 8 LYS H A 8 LYS N 1 . . . 2 3 3 3.888692232e+10 . 80433576 . 8.08801158 . 127.0327993 . A 69 VAL H A 69 VAL N 1 . . . 2 4 4 5.122875934e+10 . 69183088 . 7.747200181 . 126.9156314 . A 76 GLU H A 76 GLU N 1 . . . 2 5 6 1.586293409e+10 . 77396072 . 8.334806042 . 125.7439531 . A 27 GLU H A 27 GLU N 1 . . . 2 6 7 2.881692281e+10 . 93424528 . 8.29954969 . 125.3631576 . A 39 ASP H A 39 ASP N 1 . . . 2 7 8 2.965822806e+10 . 86015272 . 8.058631287 . 125.3924496 . A 26 VAL H A 26 VAL N 1 . . . 2 8 9 8717762671 . 98038696 . 8.417070862 . 125.5389094 . A 3 GLU H A 3 GLU N 1 . . . 2 9 10 4.714131782e+10 . 103189696 . 8.064507346 . 125.1581139 . A 12 VAL H A 12 VAL N 1 . . . 2 10 11 1.274705947e+10 . 84596872 . 8.217284869 . 125.070238 . A 14 LEU H A 14 LEU N 1 . . . 2 11 12 4.805934894e+10 . 90707856 . 8.123267932 . 125.070238 . A 38 VAL H A 38 VAL N 1 . . . 2 12 13 1.065095105e+10 . 96806440 . 8.011622818 . 124.5136908 . A 58 LEU H A 58 LEU N 1 . . . 2 13 14 3.024296376e+10 . 92951211.9 . 7.995336044 . 124.4282165 . A 63 VAL H A 63 VAL N 1 . . . 2 14 15 1.252630561e+10 . 90658120 . 8.252541221 . 124.337939 . A 4 LEU H A 4 LEU N 1 . . . 2 15 16 3.004537178e+10 . 95129552 . 8.111515815 . 123.8692677 . A 7 ILE H A 7 ILE N 1 . . . 2 16 19 5243832504 . 92227120 . 8.346558159 . 123.7520999 . A 28 GLU H A 28 GLU N 1 . . . 2 17 20 2.338817514e+10 . 80665240 . 8.217284869 . 123.5470562 . A 53 ASP H A 53 ASP N 1 . . . 2 18 21 2.473537966e+10 . 102141616 . 8.158524283 . 123.3713044 . A 49 GLU H A 49 GLU N 1 . . . 2 19 22 2.219724956e+10 . 93008232 . 8.375938452 . 122.931925 . A 54 GLU H A 54 GLU N 1 . . . 2 20 23 7284297555 . 96312560 . 8.305425749 . 122.9026331 . A 45 ASP H A 45 ASP N 1 . . . 2 21 25 9033058077 . 96568232 . 8.182028518 . 122.8147572 . A 47 ASP H A 47 ASP N 1 . . . 2 22 26 2.523899701e+10 . 86115208 . 8.240789104 . 122.5804215 . A 43 ASP H A 43 ASP N 1 . . . 2 23 29 3.207567524e+10 . 97672640 . 8.141549712 . 122.2324099 . A 50 ASP H A 50 ASP N 1 . . . 2 24 30 2.575515495e+10 . 85153392 . 7.94045614 . 122.2599547 . A 59 LEU H A 59 LEU N 1 . . . 2 25 31 2.656973126e+10 . 96508736 . 8.25841728 . 122.199626 . A 42 ASP H A 42 ASP N 1 . . . 2 26 35 1.771799952e+10 . 86817104 . 7.958738291 . 121.9359984 . A 62 ILE H A 62 ILE N 1 . . . 2 27 36 6.81095777e+10 . 90746588.46 . 8.163747005 . 121.6771076 . A 51 GLU H A 51 GLU N 1 . . . 2 28 37 3.615539987e+10 . 89583660.68 . 8.126406949 . 121.6503565 . A 52 PHE H A 52 PHE N 1 . . . 2 29 38 6544838075 . 79121936 . 7.964614349 . 121.7016627 . A 65 LEU H A 65 LEU N 1 . . . 2 30 39 4.686301512e+10 . 164291920 . 8.229036987 . 121.6137868 . A 41 GLU H A 41 GLU N 1 . . . 2 31 40 4144256283 . 103557808 . 8.140896108 . 121.3501592 . A 56 GLU H A 56 GLU N 1 . . . 2 32 42 4677815665 . 83563712 . 8.011622818 . 121.2036994 . A 66 LYS H A 66 LYS N 1 . . . 2 33 43 1.911255471e+10 . 80808544 . 8.199656694 . 120.9693637 . A 10 ASP H A 10 ASP N 1 . . . 2 34 44 3.488931894e+10 . 75269570.64 . 7.831184367 . 121.0249197 . A 68 ILE H A 68 ILE N 1 . . . 2 35 45 2.617452925e+10 . 85479403.91 . 7.939593972 . 120.8633264 . A 25 ILE H A 25 ILE N 1 . . . 2 36 46 7.974986101e+10 . 134315552 . 7.890755292 . 120.8075184 . A 37 VAL H A 37 VAL N 1 . . . 2 37 47 3.740780013e+10 . 100135881.9 . 7.981057543 . 120.9109566 . A 48 PHE H A 48 PHE N 1 . . . 2 38 50 1.646014391e+10 . 86386112 . 8.04687917 . 120.1784809 . A 60 ASP H A 60 ASP N 1 . . . 2 39 51 8396259599 . 89077200 . 8.358310276 . 119.2118462 . A 55 ASN H A 55 ASN N 1 . . . 2 40 52 1.321782392e+10 . 102824680 . 8.199656694 . 116.9563653 . A 44 SER H A 44 SER N 1 . . . 2 41 53 8324223468 . 100274256 . 8.064507346 . 116.487694 . A 46 SER H A 46 SER N 1 . . . 2 42 54 9892099861 . 92152584 . 8.076259463 . 115.2867237 . A 57 THR H A 57 THR N 1 . . . 2 43 73 . . 78991624 . 8.073081913 . 120.9926776 . A 67 ASP H A 67 ASP N 1 . . . 2 44 74 . . 84595624 . 8.3406821 . 125.5682013 . A 13 GLN H A 13 GLN N 1 . . . 2 45 75 . . 107997432 . 7.982242525 . 115.2867237 . A 5 THR H A 5 THR N 1 . . . 2 46 76 . . 93414544 . 8.211408811 . 122.4632537 . A 9 ASP H A 9 ASP N 1 . . . 2 47 77 . . 95064208 . 8.223160928 . 123.8985597 . A 6 GLU H A 6 GLU N 1 . . . 2 48 78 . . 84123824 . 8.211408811 . 121.2036994 . A 36 ASP H A 36 ASP N 1 . . . 2 49 80 . . 76242160 . 7.872400488 . 120.6287952 . A 61 ARG H A 61 ARG N 1 . . . 2 50 81 . . 90742080 . 8.199656694 . 121.8774145 . A 40 ASP H A 40 ASP N 1 . . . 2 51 83 . . 104815680 . 7.879215141 . 120.8716277 . A 11 VAL H A 11 VAL N 1 . . . 2 52 104 . . 42072808 . 8.440575096 . 123.4005964 . A 1 MET H A 1 MET N 1 . . . 2 53 105 . . 86644408 . 8.076259463 . 117.3957447 . A 20 SER H A 20 SER N 1 . . . 2 54 106 . . 78013566.53 . 8.189697252 . 123.3269789 . A 21 ARG H A 21 ARG N 1 . . . 2 55 107 . . 77437680 . 8.281921514 . 119.8855613 . A 22 ASN H A 22 ASN N 1 . . . 2 56 108 . . 66154691.14 . 8.167694353 . 121.2767874 . A 23 GLN H A 23 GLN N 1 . . . 2 57 109 . . 83356640 . 8.123267932 . 125.4217415 . A 24 ALA H A 24 ALA N 1 . . . 2 58 110 . . 83354128 . 8.25841728 . 123.3127205 . A 29 LYS H A 29 LYS N 1 . . . 2 59 111 . . 87546824 . 8.240789104 . 126.0075807 . A 30 ALA H A 30 ALA N 1 . . . 2 60 112 . . 103769408 . 8.164400342 . 115.6968111 . A 31 SER H A 31 SER N 1 . . . 2 61 113 . . 93924984 . 8.223160928 . 126.6520038 . A 32 ALA H A 32 ALA N 1 . . . 2 62 114 . . 109119280 . 8.029250994 . 113.3827463 . A 33 THR H A 33 THR N 1 . . . 2 63 115 . . 91494024 . 8.29954969 . 121.3501592 . A 34 ASN H A 34 ASN N 1 . . . 2 64 116 . . 94143184 . 8.323053924 . 120.061313 . A 35 ASN H A 35 ASN N 1 . . . 2 65 117 . . 101010712 . 8.110316021 . 122.6566894 . A 2 VAL H A 2 VAL N 1 . . . 2 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . aliased 12.0342 ppm . . . . . . 51381 1 2 . . N 15 15N . aliased 30 ppm . . . . . . 51381 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51381 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 51381 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name HNCACB_Tom22_1_74_pH6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D CBCANH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 7 . . -24975212 . 8.224222842 . 123.9769741 . 69.80108137 . A 6 GLU H A 6 GLU N A 5 THR CB 1 . . . 1 2 9 . . 28038084 . 8.224222842 . 123.9769741 . 61.87825846 . A 6 GLU H A 6 GLU N A 5 THR CA 1 . . . 1 3 10 . . -73947696 . 8.224222842 . 123.8598063 . 30.46016761 . A 6 GLU H A 6 GLU N A 6 GLU CB 1 . . . 1 4 12 . . -90898176 . 8.0281659 . 113.4226118 . 69.85639602 . A 33 THR H A 33 THR N A 33 THR CB 1 . . . 1 5 13 . . 94918088 . 8.028176828 . 113.4216223 . 61.66679631 . A 33 THR H A 33 THR N A 33 THR CA 1 . . . 1 6 15 . . 40761728 . 8.028130165 . 113.4166525 . 52.54124127 . A 33 THR H A 33 THR N A 32 ALA CA 1 . . . 1 7 16 . . -34081336 . 8.028177688 . 113.4210339 . 19.35191003 . A 33 THR H A 33 THR N A 32 ALA CB 1 . . . 1 8 17 . . -92927184 . 8.163290614 . 115.7258492 . 63.81753447 . A 31 SER H A 31 SER N A 31 SER CB 1 . . . 1 9 18 . . 91182360 . 8.163275598 . 115.7314663 . 58.22108595 . A 31 SER H A 31 SER N A 31 SER CA 1 . . . 1 10 19 . . 37520176 . 8.163368204 . 115.7133147 . 52.59308131 . A 31 SER H A 31 SER N A 30 ALA CA 1 . . . 1 11 20 . . -34580496 . 8.162686463 . 115.7235017 . 19.18361908 . A 31 SER H A 31 SER N A 30 ALA CB 1 . . . 1 12 21 . . -75001080 . 8.07524973 . 117.4181083 . 63.73867284 . A 20 SER H A 20 SER N A 20 SER CB 1 . . . 1 13 23 . . 81798056 . 8.075058211 . 117.4298334 . 58.23844239 . A 20 SER H A 20 SER N A 20 SER CA 1 . . . 1 14 24 . . -23175442 . 8.07469992 . 117.4264928 . 39.51951098 . A 20 SER H A 20 SER N A 20-1 . CB 1 . . . 1 15 26 . . 113376712 . 8.326530628 . 120.1049454 . 53.26998237 . A 35 ASN H A 35 ASN N A 35 ASN CA 1 . . . 1 16 29 . . -128117992 . 8.32642937 . 120.1075192 . 38.98786664 . A 35 ASN H A 35 ASN N A 35 ASN CB 1 . . . 1 17 31 . . 25815952 . 8.280682218 . 119.9050175 . 56.32256223 . A 22 ASN H A 22 ASN N A 21 ARG CA 1 . . . 1 18 32 . . 72844040 . 8.283396012 . 119.9393253 . 53.45612167 . A 22 ASN H A 22 ASN N A 22 ASN CA 1 . . . 1 19 33 . . -75382160 . 8.281362965 . 119.9295005 . 38.68090761 . A 22 ASN H A 22 ASN N A 22 ASN CB 1 . . . 1 20 34 . . -20678070 . 8.280652976 . 119.9063923 . 30.58822214 . A 22 ASN H A 22 ASN N A 21 ARG CB 1 . . . 1 21 42 . . -27706948 . 8.298972766 . 121.4002245 . 69.83231962 . A 34 ASN H A 34 ASN N A 33 THR CB 1 . . . 1 22 43 . . 27563214 . 8.299248384 . 121.3899046 . 61.65950211 . A 34 ASN H A 34 ASN N A 33 THR CA 1 . . . 1 23 45 . . 80053088 . 8.299567607 . 121.3927761 . 53.22787003 . A 34 ASN H A 34 ASN N A 34 ASN CA 1 . . . 1 24 46 . . -85465752 . 8.299455933 . 121.3912169 . 38.95000639 . A 34 ASN H A 34 ASN N A 34 ASN CB 1 . . . 1 26 49 . . -11178613 . 8.44034735 . 123.4379249 . 32.77188584 . A 1 MET H A 1 MET N A 1 MET CB 1 . . . 1 28 51 . . 87048944 . 8.262294836 . 123.3359362 . 56.31051674 . A 29 LYS H A 29 LYS N A 29 LYS CA 1 . . . 1 29 52 . . -56879056 . 8.261927933 . 123.3224787 . 32.9936197 . A 29 LYS H A 29 LYS N A 29 LYS CB 1 . . . 1 31 54 . . -21930818 . 8.262217218 . 123.3768161 . 30.17423557 . A 29 LYS H A 29 LYS N A 28 GLU CB 1 . . . 1 33 61 . . 32796472 . 8.126316968 . 125.4586116 . 55.87986365 . A 24 ALA H A 24 ALA N A 23 GLN CA 1 . . . 1 34 62 . . 87028672 . 8.127049618 . 125.4259482 . 52.57205432 . A 24 ALA H A 24 ALA N A 24 ALA CA 1 . . . 1 35 63 . . -26011422 . 8.12698365 . 125.4725217 . 29.42295007 . A 24 ALA H A 24 ALA N A 23 GLN CB 1 . . . 1 36 64 . . -74238320 . 8.127678389 . 125.4362554 . 19.04416312 . A 24 ALA H A 24 ALA N A 24 ALA CB 1 . . . 1 37 65 . . 35054028 . 8.242646045 . 126.0125902 . 56.17940445 . A 30 ALA H A 30 ALA N A 29 LYS CA 1 . . . 1 38 67 . . 100112496 . 8.241528948 . 126.0213979 . 52.61897944 . A 30 ALA H A 30 ALA N A 30 ALA CA 1 . . . 1 39 68 . . -26435266 . 8.242232064 . 126.026069 . 32.96275872 . A 30 ALA H A 30 ALA N A 29 LYS CB 1 . . . 1 40 69 . . -79133576 . 8.241888322 . 126.022586 . 19.16687336 . A 30 ALA H A 30 ALA N A 30 ALA CB 1 . . . 1 41 70 . . -33704804 . 8.222002283 . 126.6701974 . 63.7778452 . A 32 ALA H A 32 ALA N A 31 SER CB 1 . . . 1 42 71 . . 30616528 . 8.222445558 . 126.6582878 . 58.24173775 . A 32 ALA H A 32 ALA N A 31 SER CA 1 . . . 1 43 73 . . 96550360 . 8.221927081 . 126.6761244 . 52.5651947 . A 32 ALA H A 32 ALA N A 32 ALA CA 1 . . . 1 44 75 . . -81609928 . 8.222185637 . 126.669672 . 19.36926022 . A 32 ALA H A 32 ALA N A 32 ALA CB 1 . . . 1 45 78 . . 87584224 . 8.213399448 . 121.2577003 . 54.31568718 . A 36 ASP H A 36 ASP N A 36 ASP CA 1 . . . 1 46 82 . . -102729048 . 8.211780115 . 121.2069611 . 40.82126647 . A 36 ASP H A 36 ASP N A 36 ASP CB 1 . . . 1 47 84 . . 21384214 . 8.187791052 . 123.2934831 . 58.32434498 . A 21 ARG H A 21 ARG N A 20 SER CA 1 . . . 1 48 86 . . 80601568 . 8.188091532 . 123.3825011 . 56.3109211 . A 21 ARG H A 21 ARG N A 21 ARG CA 1 . . . 1 49 89 . . -57197440 . 8.187977729 . 123.3934576 . 30.65140733 . A 21 ARG H A 21 ARG N A 21 ARG CB 1 . . . 1 50 93 . . -20302715.99 . 8.190164247 . 123.327 . 63.73167791 . A 21 ARG H A 21 ARG N A 20 SER CB 1 . . . 1 51 94 . . -35825272 . 8.16044992 . 121.3566266 . 38.72838925 . A 23 GLN H A 23 GLN N A 22 ASN CB 1 . . . 1 52 95 . . -55964532 . 8.164521677 . 121.3443323 . 29.4640119 . A 23 GLN H A 23 GLN N A 23 GLN CB 1 . . . 1 54 97 . . 79799975.36 . 8.167207487 . 121.394 . 55.98981664 . A 23 GLN H A 23 GLN N A 23 GLN CA 1 . . . 1 55 98 . . -86950576 . 7.983009808 . 115.3278668 . 69.75538915 . A 5 THR H A 5 THR N A 5 THR CB 1 . . . 1 56 99 . . 81104360 . 7.982827487 . 115.3304935 . 61.88466369 . A 5 THR H A 5 THR N A 5 THR CA 1 . . . 1 57 100 . . 33945904 . 7.982763381 . 115.3262974 . 55.27562951 . A 5 THR H A 5 THR N A 4 LEU CA 1 . . . 1 58 101 . . -26048564 . 7.982729816 . 115.3250992 . 42.26387494 . A 5 THR H A 5 THR N A 4 LEU CB 1 . . . 1 59 102 . . -23354195.9 . 8.249406414 . 124.435 . 30.09103895 . A 4 LEU H A 4 LEU N A 3 GLU CB 1 . . . 1 60 104 . . 29638749.05 . 8.250991134 . 124.435 . 56.3182874 . A 4 LEU H A 4 LEU N A 3 GLU CA 1 . . . 1 61 105 . . 67848395.81 . 8.251613229 . 124.435 . 55.24353633 . A 4 LEU H A 4 LEU N A 4 LEU CA 1 . . . 1 62 106 . . 59837452 . 8.338819741 . 125.6474232 . 62.33750163 . A 27 GLU H A 27 GLU N A 26 VAL CA 1 . . . 1 63 107 . . 76744488 . 8.332856947 . 125.7779956 . 56.42535853 . A 27 GLU H A 27 GLU N A 27 GLU CA 1 . . . 1 64 109 . . -39526396 . 8.336676269 . 125.6844181 . 32.69135047 . A 27 GLU H A 27 GLU N A 26 VAL CB 1 . . . 1 65 110 . . -55448152 . 8.33294995 . 125.7721045 . 30.46976399 . A 27 GLU H A 27 GLU N A 27 GLU CB 1 . . . 1 66 112 . . 112203040 . 8.347481583 . 123.7426384 . 56.68744345 . A 28 GLU H A 28 GLU N A 28 GLU CA 1 . . . 1 67 113 . . -83221032 . 8.347357938 . 123.7745638 . 30.28928789 . A 28 GLU H A 28 GLU N A 28 GLU CB 1 . . . 1 68 114 . . 101714912 . 8.111063447 . 122.6880362 . 62.38328243 . A 2 VAL H A 2 VAL N A 2 VAL CA 1 . . . 1 69 115 . . 50466188 . 8.111010557 . 122.6886074 . 55.55485409 . A 2 VAL H A 2 VAL N A 1 MET CA 1 . . . 1 70 116 . . -81807136 . 8.110984494 . 122.6857152 . 32.82688368 . A 2 VAL H A 2 VAL N A 1 MET CB 1 . . . 1 71 124 . . 79145760 . 8.076294871 . 121.0089778 . 54.43537117 . A 67 ASP H A 67 ASP N A 67 ASP CA 1 . . . 1 72 126 . . -77726672 . 8.07631097 . 121.0071496 . 41.12823825 . A 67 ASP H A 67 ASP N A 67 ASP CB 1 . . . 1 73 127 . . -49241884 . 8.111856427 . 122.4903107 . 32.86837361 . A 2 VAL H A 2 VAL N A 2 VAL CB 1 . . . 1 74 129 . . -7881837 . 8.417317603 . 125.3285205 . 32.69819486 . A 3 GLU H A 3 GLU N A 2 VAL CB 1 . . . 1 75 130 . . -29920866 . 8.414595459 . 125.3285205 . 30.19382162 . A 3 GLU H A 3 GLU N A 3 GLU CB 1 . . . 1 76 131 . . 12289685 . 8.418678678 . 125.3285205 . 62.2933504 . A 3 GLU H A 3 GLU N A 2 VAL CA 1 . . . 1 77 132 . . 37999748 . 8.417317605 . 125.3285205 . 56.34818611 . A 3 GLU H A 3 GLU N A 3 GLU CA 1 . . . 1 78 133 . . 95932928 . 8.220286063 . 123.9196211 . 56.22097598 . A 6 GLU H A 6 GLU N A 6 GLU CA 1 . . . 1 79 134 . . -28444976 . 8.11270303 . 123.8598063 . 30.46016761 . A 7 ILE H A 7 ILE N A 6 GLU CB 1 . . . 1 80 135 . . -42117184 . 8.11427786 . 123.8880073 . 38.27021086 . A 7 ILE H A 7 ILE N A 7 ILE CB 1 . . . 1 81 136 . . 37052524 . 8.11270303 . 123.8598063 . 56.41424266 . A 7 ILE H A 7 ILE N A 6 GLU CA 1 . . . 1 82 137 . . 72319224 . 8.11270303 . 123.8598063 . 60.7854553 . A 7 ILE H A 7 ILE N A 7 ILE CA 1 . . . 1 83 138 . . -23470072 . 8.3122648 . 127.0233377 . 38.38299052 . A 8 LYS H A 8 LYS N A 7 ILE CB 1 . . . 1 84 139 . . -57357216 . 8.3122648 . 127.0233377 . 33.19217551 . A 8 LYS H A 8 LYS N A 8 LYS CB 1 . . . 1 85 140 . . 32680496 . 8.3122648 . 127.0233377 . 60.7854553 . A 8 LYS H A 8 LYS N A 7 ILE CA 1 . . . 1 86 141 . . 86852904 . 8.3122648 . 127.0233377 . 55.86784108 . A 8 LYS H A 8 LYS N A 8 LYS CA 1 . . . 1 87 142 . . 37138444 . 8.212483915 . 122.5709601 . 55.86784108 . A 9 ASP H A 9 ASP N A 8 LYS CA 1 . . . 1 88 143 . . 64952936 . 8.211848461 . 122.462566 . 54.42507839 . A 9 ASP H A 9 ASP N A 9 ASP CA 1 . . . 1 89 144 . . -28346072 . 8.212483915 . 122.4537923 . 33.19217551 . A 9 ASP H A 9 ASP N A 8 LYS CB 1 . . . 1 90 145 . . -60263872 . 8.210435559 . 122.462566 . 41.24589698 . A 9 ASP H A 9 ASP N A 9 ASP CB 1 . . . 1 91 146 . . -147807840 . 8.206614451 . 121.0477783 . 41.11499842 . A 10 ASP H A 10 ASP N A 10 ASP CB 1 . . . 1 92 147 . . 136770096 . 8.206614451 . 121.0477783 . 54.22863634 . A 10 ASP H A 10 ASP N A 10 ASP CA 1 . . . 1 93 148 . . -95293568 . 8.060718141 . 125.1581139 . 32.68894193 . A 12 VAL H A 12 VAL N A 12 VAL CB 1 . . . 1 94 149 . . 153881872 . 8.063368403 . 125.1581139 . 62.36371471 . A 12 VAL H A 12 VAL N A 12 VAL CA 1 . . . 1 95 151 . . -81756880 . 7.88647419 . 120.8716277 . 32.70652826 . A 11 VAL H A 11 VAL N A 11 VAL CB 1 . . . 1 96 152 . . -49234328 . 7.8896493 . 120.8716277 . 41.08881828 . A 11 VAL H A 11 VAL N A 10 ASP CB 1 . . . 1 97 153 . . 43495872 . 7.888061745 . 120.8716277 . 54.5258832 . A 11 VAL H A 11 VAL N A 10 ASP CA 1 . . . 1 98 154 . . 129024720 . 7.888061745 . 120.8716277 . 62.24775038 . A 11 VAL H A 11 VAL N A 11 VAL CA 1 . . . 1 99 155 . . -51159656 . 8.347257294 . 125.5693866 . 29.38509254 . A 13 GLN H A 13 GLN N A 13 GLN CB 1 . . . 1 100 156 . . 65580240 . 8.345352089 . 125.5693866 . 55.33787694 . A 13 GLN H A 13 GLN N A 13 GLN CA 1 . . . 1 101 157 . . -27917824 . 8.218353379 . 125.0314846 . 29.36736445 . A 14 LEU H A 14 LEU N A 13 GLN CB 1 . . . 1 102 158 . . -51066184 . 8.218353379 . 125.0314846 . 42.75420316 . A 14 LEU H A 14 LEU N A 14 LEU CB 1 . . . 1 103 159 . . 100487776 . 8.218353379 . 125.0314846 . 55.04823871 . A 14 LEU H A 14 LEU N A 14 LEU CA 1 . . . 1 104 160 . . -25868604 . 7.937127218 . 120.8389248 . 19.02132386 . A 25 ILE H A 25 ILE N A 24 ALA CB 1 . . . 1 105 161 . . -37699500 . 7.936619115 . 120.9306105 . 38.65619131 . A 25 ILE H A 25 ILE N A 25 ILE CB 1 . . . 1 106 162 . . 33658344 . 7.936619115 . 120.9306105 . 52.5894316 . A 25 ILE H A 25 ILE N A 24 ALA CA 1 . . . 1 107 163 . . 64755200 . 7.936619115 . 120.9306105 . 61.05865609 . A 25 ILE H A 25 ILE N A 25 ILE CA 1 . . . 1 108 164 . . -19924962 . 8.059877855 . 125.3829881 . 38.65619131 . A 26 VAL H A 26 VAL N A 25 ILE CB 1 . . . 1 109 165 . . 22371714 . 8.060197806 . 125.3655925 . 61.08207422 . A 26 VAL H A 26 VAL N A 25 ILE CA 1 . . . 1 110 166 . . 180027424 . 8.059877855 . 125.2658203 . 62.42466004 . A 26 VAL H A 26 VAL N A 26 VAL CA 1 . . . 1 111 167 . . -61667728 . 8.049813562 . 125.3655925 . 32.69298644 . A 26 VAL H A 26 VAL N A 26 VAL CB 1 . . . 1 112 168 . . 17773076 . 8.21322071 . 121.3185675 . 53.24344946 . A 36 ASP H A 36 ASP N A 35 ASN CA 1 . . . 1 113 169 . . -65414488 . 8.124441957 . 125.0314846 . 32.91897472 . A 38 VAL H A 38 VAL N A 38 VAL CB 1 . . . 1 114 170 . . 101093160 . 8.124441957 . 125.0314846 . 61.87825846 . A 38 VAL H A 38 VAL N A 38 VAL CA 1 . . . 1 115 171 . . 148460800 . 7.889663404 . 120.8134426 . 62.42466004 . A 37 VAL H A 37 VAL N A 37 VAL CA 1 . . . 1 116 172 . . -18970644 . 8.298961882 . 125.4040622 . 32.93870126 . A 39 ASP H A 39 ASP N A 38 VAL CB 1 . . . 1 117 173 . . 28881520 . 8.300517632 . 125.4040622 . 61.86342165 . A 39 ASP H A 39 ASP N A 38 VAL CA 1 . . . 1 118 174 . . 42394396 . 8.296872203 . 125.4040622 . 54.10511832 . A 39 ASP H A 39 ASP N A 39 ASP CA 1 . . . 1 119 175 . . -41646464 . 8.292337232 . 125.4040622 . 41.16141616 . A 39 ASP H A 39 ASP N A 39 ASP CB 1 . . . 1 120 176 . . -89513296 . 8.199974676 . 121.8679531 . 41.36305766 . A 40 ASP H A 40 ASP N A 40 ASP CB 1 . . . 1 121 177 . . 110310336 . 8.203341195 . 121.8769146 . 54.14877709 . A 40 ASP H A 40 ASP N A 40 ASP CA 1 . . . 1 122 178 . . 37846752 . 8.259439625 . 122.2194566 . 56.41424266 . A 42 ASP H A 42 ASP N A 41 GLU CA 1 . . . 1 123 179 . . 77000048 . 8.259439625 . 122.2194566 . 54.22863634 . A 42 ASP H A 42 ASP N A 42 ASP CA 1 . . . 1 124 180 . . -66095112 . 8.259439625 . 122.2194566 . 41.38819921 . A 42 ASP H A 42 ASP N A 42 ASP CB 1 . . . 1 125 181 . . -26462276 . 8.257861816 . 122.199626 . 30.19082053 . A 42 ASP H A 42 ASP N A 41 GLU CB 1 . . . 1 126 182 . . -53925496 . 8.230092306 . 121.6336175 . 30.18696682 . A 41 GLU H A 41 GLU N A 41 GLU CB 1 . . . 1 127 183 . . 80131648 . 8.23596177 . 121.6336175 . 56.41424266 . A 41 GLU H A 41 GLU N A 41 GLU CA 1 . . . 1 128 184 . . -67292456 . 8.241831234 . 122.5709601 . 40.84179763 . A 43 ASP H A 43 ASP N A 43 ASP CB 1 . . . 1 129 185 . . 74626416 . 8.241831234 . 122.5709601 . 53.95543555 . A 43 ASP H A 43 ASP N A 43 ASP CA 1 . . . 1 130 186 . . -25126438 . 8.206029907 . 116.9563653 . 40.91893414 . A 44 SER H A 44 SER N A 43 ASP CB 1 . . . 1 131 187 . . 23112836 . 8.201668563 . 116.9563653 . 53.99677796 . A 44 SER H A 44 SER N A 43 ASP CA 1 . . . 1 132 188 . . 98024544 . 8.200744987 . 116.9469042 . 58.87304977 . A 44 SER H A 44 SER N A 44 SER CA 1 . . . 1 133 189 . . -82757464 . 8.200744987 . 116.9469042 . 63.79066399 . A 44 SER H A 44 SER N A 44 SER CB 1 . . . 1 134 190 . . 26672548 . 8.306395336 . 122.9224636 . 58.87304977 . A 45 ASP H A 45 ASP N A 44 SER CA 1 . . . 1 135 191 . . -23565140 . 8.306395336 . 122.9224636 . 63.79066399 . A 45 ASP H A 45 ASP N A 44 SER CB 1 . . . 1 136 192 . . 70691944 . 8.306395336 . 122.9224636 . 54.22863634 . A 45 ASP H A 45 ASP N A 45 ASP CA 1 . . . 1 137 193 . . -69365960 . 8.306395336 . 122.9224636 . 41.11499842 . A 45 ASP H A 45 ASP N A 45 ASP CB 1 . . . 1 138 194 . . -24113866 . 8.065747319 . 116.4782328 . 41.11499842 . A 46 SER H A 46 SER N A 45 ASP CB 1 . . . 1 139 195 . . 22454640 . 8.065747319 . 116.4782328 . 54.22863634 . A 46 SER H A 46 SER N A 45 ASP CA 1 . . . 1 140 196 . . 88997584 . 8.065747319 . 116.4782328 . 58.32664819 . A 46 SER H A 46 SER N A 46 SER CA 1 . . . 1 141 197 . . -83525312 . 8.065747319 . 116.4782328 . 64.06386478 . A 46 SER H A 46 SER N A 46 SER CB 1 . . . 1 142 198 . . 28758200 . 8.183136596 . 122.8052958 . 58.32664819 . A 47 ASP H A 47 ASP N A 46 SER CA 1 . . . 1 143 199 . . -30762892 . 8.183136596 . 122.8052958 . 63.79066399 . A 47 ASP H A 47 ASP N A 46 SER CA 1 . . . 1 144 200 . . 73882928 . 8.183348524 . 122.8147572 . 54.23885162 . A 47 ASP H A 47 ASP N A 47 ASP CA 1 . . . 1 145 201 . . -76022464 . 8.183136596 . 122.8052958 . 40.84179763 . A 47 ASP H A 47 ASP N A 47 ASP CB 1 . . . 1 146 202 . . -22388950 . 7.983574826 . 120.9306105 . 40.84179763 . A 48 PHE H A 48 PHE N A 47 ASP CB 1 . . . 1 147 203 . . -77066976 . 7.983574826 . 120.9306105 . 39.47579368 . A 48 PHE H A 48 PHE N A 48 PHE CB 1 . . . 1 148 204 . . 21612346 . 7.980214666 . 120.9109566 . 54.20330203 . A 48 PHE H A 48 PHE N A 47 ASP CA 1 . . . 1 149 205 . . 105203272 . 7.982463413 . 120.9109566 . 57.73833165 . A 48 PHE H A 48 PHE N A 48 PHE CA 1 . . . 1 150 206 . . -38769068 . 8.147919813 . 123.2739671 . 39.74899447 . A 49 GLU H A 49 GLU N A 48 PHE CB 1 . . . 1 151 207 . . 52190712 . 8.147919813 . 123.2739671 . 57.50704582 . A 49 GLU H A 49 GLU N A 48 PHE CA 1 . . . 1 152 208 . . 66079944 . 8.151289496 . 123.3911349 . 56.1594035 . A 49 GLU H A 49 GLU N A 49 GLU CA 1 . . . 1 153 209 . . -39917396 . 8.145839777 . 123.3839965 . 30.44406579 . A 49 GLU H A 49 GLU N A 49 GLU CB 1 . . . 1 154 210 . . -26086916 . 8.142050349 . 122.3366245 . 30.46016761 . A 50 ASP H A 50 ASP N A 49 GLU CB 1 . . . 1 155 211 . . -78100568 . 8.142050349 . 122.2194566 . 41.38819921 . A 50 ASP H A 50 ASP N A 50 ASP CB 1 . . . 1 156 212 . . 28800890 . 8.140587296 . 122.228918 . 56.10192833 . A 50 ASP H A 50 ASP N A 49 GLU CA 1 . . . 1 157 213 . . 80860208 . 8.142050349 . 122.2194566 . 54.22863634 . A 50 ASP H A 50 ASP N A 50 ASP CA 1 . . . 1 158 214 . . -42491836 . 8.168378905 . 121.6771076 . 41.38051241 . A 51 GLU H A 51 GLU N A 50 ASP CB 1 . . . 1 159 215 . . 41088712 . 8.167833827 . 121.6771076 . 54.19739987 . A 51 GLU H A 51 GLU N A 50 ASP CA 1 . . . 1 160 216 . . 82721880 . 8.165109149 . 121.6771076 . 56.3858614 . A 51 GLU H A 51 GLU N A 51 GLU CA 1 . . . 1 161 217 . . -53538212 . 8.165732049 . 121.6771076 . 30.1611014 . A 51 GLU H A 51 GLU N A 51 GLU CB 1 . . . 1 162 218 . . -38993540 . 8.128065703 . 121.6503565 . 30.13850023 . A 52 PHE H A 52 PHE N A 51 GLU CB 1 . . . 1 163 219 . . -59037528 . 8.126959676 . 121.6503565 . 39.81845099 . A 52 PHE H A 52 PHE N A 52 PHE CB 1 . . . 1 164 220 . . 42917300 . 8.129172315 . 121.6503565 . 56.40000745 . A 52 PHE H A 52 PHE N A 51 GLU CA 1 . . . 1 165 221 . . 107519672 . 8.130311421 . 121.6336175 . 57.50704582 . A 52 PHE H A 52 PHE N A 52 PHE CA 1 . . . 1 166 222 . . -29685472 . 8.374010415 . 122.931925 . 41.42699612 . A 54 GLU H A 54 GLU N A 53 ASP CB 1 . . . 1 167 223 . . 22383166 . 8.380356865 . 122.931925 . 53.7814815 . A 54 GLU H A 54 GLU N A 53 ASP CA 1 . . . 1 168 224 . . 66719372 . 8.378241372 . 122.931925 . 57.12114116 . A 54 GLU H A 54 GLU N A 54 GLU CA 1 . . . 1 169 225 . . -49404496 . 8.376125913 . 122.931925 . 29.7043385 . A 54 GLU H A 54 GLU N A 54 GLU CB 1 . . . 1 170 226 . . -15012977 . 8.196119597 . 123.5470562 . 54.04962834 . A 53 ASP H A 53 ASP N A 53 ASP CA 1 . . . 1 171 227 . . 14000855 . 8.191501703 . 123.5470562 . 41.2549835 . A 53 ASP H A 53 ASP N A 53 ASP CB 1 . . . 1 172 228 . . -8878111 . 8.196681677 . 123.5470562 . 57.40775336 . A 53 ASP H A 53 ASP N A 52 PHE CA 1 . . . 1 173 229 . . 3146889 . 8.19142406 . 123.5470562 . 39.70632972 . A 53 ASP H A 53 ASP N A 52 PHE CB 1 . . . 1 174 230 . . -15604603 . 8.365874451 . 119.2118462 . 29.74794614 . A 55 ASN H A 55 ASN N A 54 GLU CB 1 . . . 1 175 231 . . -65402432 . 8.365874451 . 119.2118462 . 39.00152942 . A 55 ASN H A 55 ASN N A 55 ASN CB 1 . . . 1 176 232 . . 23592832 . 8.36005582 . 119.2118462 . 57.06184691 . A 55 ASN H A 55 ASN N A 54 GLU CA 1 . . . 1 177 233 . . 67379560 . 8.36238318 . 119.2118462 . 53.82216181 . A 55 ASN H A 55 ASN N A 55 ASN CA 1 . . . 1 178 234 . . 30841314 . 8.136493759 . 121.3466708 . 53.8667268 . A 56 GLU H A 56 GLU N A 55 ASN CA 1 . . . 1 179 235 . . 80705216 . 8.135673771 . 121.3466708 . 57.28443689 . A 56 GLU H A 56 GLU N A 56 GLU CA 1 . . . 1 180 236 . . -31469160 . 8.137723286 . 121.3466708 . 39.00854496 . A 56 GLU H A 56 GLU N A 55 ASN CB 1 . . . 1 181 237 . . -58348688 . 8.136180665 . 121.3466708 . 29.99903419 . A 56 GLU H A 56 GLU N A 56 GLU CB 1 . . . 1 182 238 . . -18683270 . 8.079070151 . 115.2867237 . 29.97211725 . A 57 THR H A 57 THR N A 56 GLU CB 1 . . . 1 183 239 . . 23505052 . 8.081318696 . 115.2867237 . 57.24550042 . A 57 THR H A 57 THR N A 56 GLU CA 1 . . . 1 184 240 . . 63898448 . 8.079069901 . 115.2867237 . 62.44471447 . A 57 THR H A 57 THR N A 57 THR CA 1 . . . 1 185 241 . . -56507320 . 8.077945895 . 115.2867237 . 69.64086086 . A 57 THR H A 57 THR N A 57 THR CB 1 . . . 1 186 242 . . 37617224 . 8.010376399 . 124.5119437 . 62.43873921 . A 58 LEU H A 58 LEU N A 57 THR CA 1 . . . 1 187 243 . . 61913180 . 8.009582244 . 124.5119437 . 55.66618587 . A 58 LEU H A 58 LEU N A 58 LEU CA 1 . . . 1 188 244 . . -18202338 . 8.011964425 . 124.5119437 . 69.56707605 . A 58 LEU H A 58 LEU N A 57 THR CB 1 . . . 1 189 245 . . -55179192 . 8.012922145 . 124.5628133 . 41.93460079 . A 58 LEU H A 58 LEU N A 58 LEU CB 1 . . . 1 190 246 . . -71479920 . 7.942488579 . 122.3366245 . 42.20780158 . A 59 LEU H A 59 LEU N A 59 LEU CB 1 . . . 1 191 247 . . 102092688 . 7.942488579 . 122.3366245 . 55.86784108 . A 59 LEU H A 59 LEU N A 59 LEU CA 1 . . . 1 192 249 . . -20086470 . 8.048138928 . 120.2276035 . 42.20780158 . A 60 ASP H A 60 ASP N A 59 LEU CB 1 . . . 1 193 250 . . -70443928 . 8.048138928 . 120.2276035 . 40.84179763 . A 60 ASP H A 60 ASP N A 60 ASP CB 1 . . . 1 194 251 . . 26153144 . 8.048138928 . 120.2276035 . 55.86784108 . A 60 ASP H A 60 ASP N A 59 LEU CA 1 . . . 1 195 252 . . 71258152 . 8.048138928 . 120.2276035 . 54.77503792 . A 60 ASP H A 60 ASP N A 60 ASP CA 1 . . . 1 196 253 . . -57396484 . 7.883793941 . 120.8134426 . 40.84179763 . A 61 ARG H A 61 ARG N A 60 ASP CB 1 . . . 1 197 254 . . 25422406 . 7.873852091 . 120.6272999 . 54.79272678 . A 61 ARG H A 61 ARG N A 60 ASP CA 1 . . . 1 198 255 . . 75175384 . 7.872055013 . 120.6962748 . 56.41424266 . A 61 ARG H A 61 ARG N A 61 ARG CA 1 . . . 1 199 256 . . -55148320 . 7.872055013 . 120.6962748 . 30.7333684 . A 61 ARG H A 61 ARG N A 61 ARG CB 1 . . . 1 200 257 . . -18299346 . 7.956002679 . 121.9359984 . 30.71200972 . A 62 ILE H A 62 ILE N A 61 ARG CB 1 . . . 1 201 258 . . -38258016 . 7.958190929 . 121.9359984 . 38.20457758 . A 62 ILE H A 62 ILE N A 62 ILE CB 1 . . . 1 202 259 . . 22697952 . 7.953814065 . 121.9359984 . 56.41081878 . A 62 ILE H A 62 ILE N A 61 ARG CA 1 . . . 1 203 260 . . 72441440 . 7.96009697 . 121.985121 . 61.60505767 . A 62 ILE H A 62 ILE N A 62 ILE CA 1 . . . 1 204 261 . . -18010732 . 7.995313753 . 124.4456454 . 38.10978973 . A 63 VAL H A 63 VAL N A 62 ILE CB 1 . . . 1 205 262 . . -46264144 . 7.995313753 . 124.4456454 . 32.64577393 . A 63 VAL H A 63 VAL N A 63 VAL CB 1 . . . 1 206 263 . . 26495956 . 7.995313753 . 124.4456454 . 61.60505767 . A 63 VAL H A 63 VAL N A 62 ILE CA 1 . . . 1 207 264 . . 80240272 . 7.995313753 . 124.4456454 . 62.69786083 . A 63 VAL H A 63 VAL N A 63 VAL CA 1 . . . 1 208 265 . . 26455272 . 8.11270303 . 127.3748412 . 62.69786083 . A 64 ALA H A 64 ALA N A 63 VAL CA 1 . . . 1 209 267 . . 71356784 . 8.106833566 . 127.3748412 . 52.31623081 . A 64 ALA H A 64 ALA N A 64 ALA CA 1 . . . 1 210 268 . . -21078056 . 8.107444404 . 127.3550108 . 32.53747246 . A 64 ALA H A 64 ALA N A 63 VAL CB 1 . . . 1 211 269 . . -58735016 . 8.11270303 . 127.3748412 . 19.25893522 . A 64 ALA H A 64 ALA N A 64 ALA CB 1 . . . 1 212 270 . . -26982474 . 7.965966434 . 121.7507853 . 19.25893522 . A 65 LEU H A 65 LEU N A 64 ALA CB 1 . . . 1 213 273 . . -52923616 . 7.965966434 . 121.7507853 . 42.20780158 . A 65 LEU H A 65 LEU N A 65 LEU CB 1 . . . 1 214 274 . . 34075128 . 7.965966434 . 121.7507853 . 52.5894316 . A 65 LEU H A 65 LEU N A 64 ALA CA 1 . . . 1 215 275 . . 67170400 . 7.965966434 . 121.7507853 . 55.3214395 . A 65 LEU H A 65 LEU N A 65 LEU CA 1 . . . 1 216 276 . . -23882016 . 8.012922145 . 121.1649461 . 42.20780158 . A 66 LYS H A 66 LYS N A 65 LEU CB 1 . . . 1 217 277 . . -56202412 . 8.012922145 . 121.1649461 . 32.91897472 . A 66 LYS H A 66 LYS N A 66 LYS CB 1 . . . 1 218 278 . . 28564300 . 8.012922145 . 121.1649461 . 55.59464029 . A 66 LYS H A 66 LYS N A 65 LEU CA 1 . . . 1 219 279 . . 77965640 . 8.011255966 . 121.2022044 . 56.58971881 . A 66 LYS H A 66 LYS N A 66 LYS CA 1 . . . 1 220 280 . . -29523032 . 7.830968766 . 121.0477783 . 41.11499842 . A 68 ILE H A 68 ILE N A 67 ASP CB 1 . . . 1 221 281 . . -42823104 . 7.830968766 . 121.0477783 . 38.65619131 . A 68 ILE H A 68 ILE N A 68 ILE CB 1 . . . 1 222 282 . . 28447544 . 7.830968766 . 121.0477783 . 54.50183713 . A 68 ILE H A 68 ILE N A 67 ASP CA 1 . . . 1 223 283 . . 69497184 . 7.830968766 . 121.0477783 . 61.05865609 . A 68 ILE H A 68 ILE N A 68 ILE CA 1 . . . 1 224 284 . . -16783476 . 8.089225174 . 127.0233377 . 38.65619131 . A 69 VAL H A 69 VAL N A 68 ILE CB 1 . . . 1 225 285 . . -44002552 . 8.089225174 . 127.0233377 . 32.64577393 . A 69 VAL H A 69 VAL N A 69 VAL CB 1 . . . 1 226 286 . . 22929468 . 8.089225174 . 127.0233377 . 61.05865609 . A 69 VAL H A 69 VAL N A 68 ILE CA 1 . . . 1 227 287 . . 71749992 . 8.089225174 . 127.0233377 . 59.69265214 . A 69 VAL H A 69 VAL N A 69 VAL CA 1 . . . 1 228 288 . . -18618972 . 7.748796273 . 126.9061699 . 42.20780158 . A 76 GLU H A 76 GLU N A 76-1 . CB 1 . . . 1 229 289 . . 23568848 . 7.748796273 . 126.9061699 . 55.3214395 . A 76 GLU H A 76 GLU N A 76-1 . CA 1 . . . 1 230 290 . . 67703960 . 7.748796273 . 126.9061699 . 57.78024661 . A 76 GLU H A 76 GLU N A 76 GLU CA 1 . . . 1 231 291 . . -48885672 . 7.748796273 . 126.9061699 . 31.27976998 . A 76 GLU H A 76 GLU N A 76 GLU CB 1 . . . 1 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . aliased 4.89617 ppm . . . . . . 51381 2 2 . . N 15 15N . aliased 36.0026 ppm . . . . . . 51381 2 3 . . C 13 CaCb . aliased 15.007 ppm . . . . . . 51381 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51381 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 51381 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name HNcaCO_Tom22_1_74_pH6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HN(CA)CO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 14069443 . 8.029780765 . 113.3789052 . 177.8080199 . A 33 THR H A 33 THR N A 32 ALA C 1 . . . 1 2 2 . . 19884084 . 8.029472939 . 113.3789536 . 174.2410369 . A 33 THR H A 33 THR N A 33 THR C 1 . . . 1 3 3 . . 14248125 . 8.163740208 . 115.7126368 . 177.8242502 . A 31 SER H A 31 SER N A 30 ALA C 1 . . . 1 4 4 . . 14173293 . 8.164550437 . 115.7079225 . 174.3396968 . A 31 SER H A 31 SER N A 31 SER C 1 . . . 1 5 5 . . 11133413 . 8.075649164 . 117.4261842 . 175.8014452 . A 20 SER H A 20 SER N A 20-1 . C 1 . . . 1 6 6 . . 12427471 . 8.076545062 . 117.4224452 . 174.5078791 . A 20 SER H A 20 SER N A 20 SER C 1 . . . 1 7 7 . . 51843280 . 8.327833071 . 120.058356 . 174.724279 . A 35 ASN H A 35 ASN N A 35 ASN C 1 . . . 1 8 8 . . 10343621 . 8.283413639 . 119.8670792 . 176.1130313 . A 22 ASN H A 22 ASN N A 21 ARG C 1 . . . 1 9 9 . . 26658862 . 8.282652269 . 119.8567501 . 175.1673138 . A 22 ASN H A 22 ASN N A 22 ASN C 1 . . . 1 14 14 . . 34742516 . 8.301052707 . 121.3719168 . 174.7468419 . A 34 ASN H A 34 ASN N A 34 ASN C 1 . . . 1 15 15 . . 7473255.5 . 8.300489569 . 121.3793673 . 174.2483713 . A 34 ASN H A 34 ASN N A 33 THR C 1 . . . 1 16 16 . . 11312935 . 8.442666944 . 123.3906875 . 175.7936977 . A 1 MET H A 1 MET N A 1 MET C 1 . . . 1 17 17 . . 5321001 . 8.44246427 . 123.3932987 . 174.402931 . A 1 MET H A 1 MET N A 1-1 . C 1 . . . 1 18 18 . . 39604220 . 8.263428817 . 123.3151315 . 176.3573048 . A 29 LYS H A 29 LYS N A 29 LYS C 1 . . . 1 19 20 . . 33316588 . 8.128453012 . 125.4082623 . 177.5340901 . A 24 ALA H A 24 ALA N A 24 ALA C 1 . . . 1 20 21 . . 14124603.79 . 8.127556209 . 125.422 . 175.5301002 . A 24 ALA H A 24 ALA N A 23 GLN C 1 . . . 1 21 22 . . 34530364 . 8.243966806 . 125.9970241 . 177.8185454 . A 30 ALA H A 30 ALA N A 30 ALA C 1 . . . 1 22 23 . . 13851541 . 8.243872808 . 125.9889695 . 176.3429596 . A 30 ALA H A 30 ALA N A 29 LYS C 1 . . . 1 23 24 . . 33102252 . 8.222799225 . 126.6396961 . 177.8024473 . A 32 ALA H A 32 ALA N A 32 ALA C 1 . . . 1 24 25 . . 4977952.5 . 8.223728987 . 126.6451424 . 174.3480719 . A 32 ALA H A 32 ALA N A 31 SER C 1 . . . 1 25 26 . . 29005188 . 8.188944707 . 123.3419907 . 176.1099833 . A 21 ARG H A 21 ARG N A 21 ARG C 1 . . . 1 26 27 . . 4644538.5 . 8.188590175 . 123.346069 . 174.5150373 . A 21 ARG H A 21 ARG N A 20 SER C 1 . . . 1 27 29 . . 28251584 . 8.16612795 . 121.3170397 . 175.4432115 . A 23 GLN H A 23 GLN N A 23 GLN C 1 . . . 1 28 30 . . 8956343 . 7.98687441 . 115.2602953 . 177.3017012 . A 5 THR H A 5 THR N A 4 LEU C 1 . . . 1 29 31 . . 17821256 . 7.984410383 . 115.2898203 . 174.1916364 . A 5 THR H A 5 THR N A 5 THR C 1 . . . 1 30 32 . . 6437129.5 . 8.223323201 . 123.9146519 . 174.2014913 . A 6 GLU H A 6 GLU N A 5 THR C 1 . . . 1 31 34 . . 12882373 . 8.257575923 . 124.2609504 . 176.1297718 . A 4 LEU H A 4 LEU N A 3 GLU C 1 . . . 1 32 35 . . 16519186.66 . 8.255114565 . 124.331 . 177.3216636 . A 4 LEU H A 4 LEU N A 4 LEU C 1 . . . 1 33 39 . . 26082700 . 8.33453172 . 125.7200912 . 176.2357186 . A 27 GLU H A 27 GLU N A 27 GLU C 1 . . . 1 34 40 . . 13507509.29 . 8.336405485 . 125.6603886 . 175.931372 . A 27 GLU H A 27 GLU N A 26 VAL C 1 . . . 1 35 42 . . 31269624 . 8.348786777 . 123.7236421 . 176.3734233 . A 28 GLU H A 28 GLU N A 28 GLU C 1 . . . 1 36 43 . . 46506544 . 8.11208882 . 122.6347786 . 175.7679902 . A 2 VAL H A 2 VAL N A 2 VAL C 1 . . . 1 40 49 . . 17312782.95 . 8.077592571 . 120.99 . 175.7653315 . A 67 ASP H A 67 ASP N A 67 ASP C 1 . . . 1 41 50 . . 9222644.978 . 8.0778917 . 120.99 . 176.1195003 . A 67 ASP H A 67 ASP N A 66 LYS C 1 . . . 1 42 51 . . 12082560 . 8.417201238 . 125.6673028 . 175.764437 . A 3 GLU H A 3 GLU N A 2 VAL C 1 . . . 1 43 52 . . 24909076 . 8.418512082 . 125.6673028 . 176.1594314 . A 3 GLU H A 3 GLU N A 3 GLU C 1 . . . 1 44 53 . . 29145288 . 8.220742937 . 123.8985597 . 175.8255276 . A 6 GLU H A 6 GLU N A 6 GLU C 1 . . . 1 45 54 . . 24426424 . 8.113754139 . 123.8692677 . 175.934947 . A 7 ILE H A 7 ILE N A 7 ILE C 1 . . . 1 46 55 . . 38052840 . 8.310539262 . 127.0736551 . 175.8953859 . A 8 LYS H A 8 LYS N A 8 LYS C 1 . . . 1 47 56 . . 21231914 . 8.21433867 . 122.4632537 . 175.7701345 . A 9 ASP H A 9 ASP N A 9 ASP C 1 . . . 1 48 57 . . 16768215 . 8.207854787 . 120.9693637 . 175.7619069 . A 10 ASP H A 10 ASP N A 9 ASP C 1 . . . 1 49 58 . . 21173686 . 8.205152922 . 120.9693637 . 175.992466 . A 10 ASP H A 10 ASP N A 10 ASP C 1 . . . 1 50 59 . . 14586782 . 8.065567506 . 125.1581139 . 176.1313135 . A 12 VAL H A 12 VAL N A 11 VAL C 1 . . . 1 51 60 . . 31709728 . 8.063377012 . 125.3860323 . 175.8953859 . A 12 VAL H A 12 VAL N A 12 VAL C 1 . . . 1 52 62 . . 17698540 . 7.88554622 . 120.8716277 . 176.1443832 . A 11 VAL H A 11 VAL N A 11 VAL C 1 . . . 1 53 63 . . 21127148 . 8.346086468 . 125.5682013 . 175.453774 . A 13 GLN H A 13 GLN N A 13 GLN C 1 . . . 1 54 64 . . 11103441 . 8.220323071 . 125.070238 . 175.4970106 . A 14 LEU H A 14 LEU N A 13 GLN C 1 . . . 1 55 65 . . 14742198 . 8.220922937 . 125.070238 . 176.8220752 . A 14 LEU H A 14 LEU N A 14 LEU C 1 . . . 1 56 66 . . 11978974 . 7.939795886 . 120.8857047 . 177.5360871 . A 25 ILE H A 25 ILE N A 24 ALA C 1 . . . 1 57 67 . . 21166962 . 7.940727649 . 120.8633264 . 176.2169716 . A 25 ILE H A 25 ILE N A 25 ILE C 1 . . . 1 58 68 . . 11937531 . 8.062473499 . 125.3924496 . 176.2408023 . A 26 VAL H A 26 VAL N A 25 ILE C 1 . . . 1 59 69 . . 26379190 . 8.058582814 . 125.3924496 . 175.8776716 . A 26 VAL H A 26 VAL N A 26 VAL C 1 . . . 1 60 70 . . 10459925 . 8.216222665 . 121.2036994 . 174.696655 . A 36 ASP H A 36 ASP N A 35 ASN C 1 . . . 1 61 71 . . 25387346 . 8.212020939 . 121.2036994 . 175.8563972 . A 36 ASP H A 36 ASP N A 36 ASP C 1 . . . 1 62 72 . . 36406392 . 7.893784442 . 120.8075184 . 175.9827583 . A 37 VAL H A 37 VAL N A 37 VAL C 1 . . . 1 63 73 . . 21964460 . 8.130799708 . 125.070238 . 175.5697508 . A 38 VAL H A 38 VAL N A 38 VAL C 1 . . . 1 64 74 . . 26257164 . 8.298736433 . 125.3631576 . 175.6438856 . A 39 ASP H A 39 ASP N A 39 ASP C 1 . . . 1 65 75 . . 10373239 . 8.206453763 . 121.8769146 . 175.6640595 . A 40 ASP H A 40 ASP N A 39 ASP C 1 . . . 1 66 76 . . 19339142 . 8.204820049 . 121.8769146 . 176.1345692 . A 40 ASP H A 40 ASP N A 40 ASP C 1 . . . 1 67 77 . . 30187254 . 8.233227591 . 121.6137868 . 176.1102809 . A 41 GLU H A 41 GLU N A 41 GLU C 1 . . . 1 68 79 . . 21726546 . 8.258735457 . 122.199626 . 175.8795172 . A 42 ASP H A 42 ASP N A 42 ASP C 1 . . . 1 69 80 . . 9546634 . 8.24376801 . 122.5804215 . 175.886584 . A 43 ASP H A 43 ASP N A 42 ASP C 1 . . . 1 70 81 . . 17579228 . 8.243546874 . 122.5804215 . 176.4232213 . A 43 ASP H A 43 ASP N A 43 ASP C 1 . . . 1 71 82 . . 7027352 . 8.20572434 . 116.9563653 . 176.4430617 . A 44 SER H A 44 SER N A 43 ASP C 1 . . . 1 72 83 . . 13171951 . 8.204612583 . 116.9479181 . 174.4890705 . A 44 SER H A 44 SER N A 44 SER C 1 . . . 1 73 84 . . 4186731 . 8.310539262 . 122.854598 . 174.4890705 . A 45 ASP H A 45 ASP N A 44 SER C 1 . . . 1 74 85 . . 23948136 . 8.310539262 . 122.854598 . 176.2469647 . A 45 ASP H A 45 ASP N A 45 ASP C 1 . . . 1 75 86 . . 7707737 . 8.069261827 . 116.3853772 . 176.2469647 . A 46 SER H A 46 SER N A 45 ASP C 1 . . . 1 76 87 . . 11068578 . 8.065958257 . 116.3853772 . 174.08837 . A 46 SER H A 46 SER N A 46 SER C 1 . . . 1 77 88 . . 22723506 . 8.186958137 . 122.854598 . 175.661 . A 47 ASP H A 47 ASP N A 47 ASP C 1 . . . 1 78 89 . . 29913928 . 7.980989595 . 120.8857047 . 175.5438071 . A 48 PHE H A 48 PHE N A 48 PHE C 1 . . . 1 79 90 . . 33684904 . 8.145764428 . 123.1358685 . 175.661 . A 48 PHE H A 48 PHE N A 48 PHE C 1 . . . 1 80 91 . . 12498928 . 8.141329341 . 122.2324099 . 175.6639295 . A 50 ASP H A 50 ASP N A 49 GLU C 1 . . . 1 81 92 . . 20890494 . 8.139879613 . 122.2920571 . 175.8953859 . A 50 ASP H A 50 ASP N A 50 ASP C 1 . . . 1 82 93 . . 37231328 . 8.16930369 . 121.7295162 . 175.8953859 . A 51 GLU H A 51 GLU N A 51 GLU C 1 . . . 1 83 94 . . 10250658 . 8.131500644 . 121.6457096 . 175.8878972 . A 52 PHE H A 52 PHE N A 51 GLU C 1 . . . 1 84 95 . . 8577862 . 8.130701614 . 121.6457096 . 175.840259 . A 52 PHE H A 52 PHE N A 52 PHE C 1 . . . 1 85 96 . . 10786123 . 8.223040933 . 123.5470562 . 176.232528 . A 53 ASP H A 53 ASP N A 52 PHE C 1 . . . 1 86 97 . . 38581676 . 8.22287693 . 123.5470562 . 175.8969193 . A 53 ASP H A 53 ASP N A 53 ASP C 1 . . . 1 87 98 . . 8406935 . 8.37760357 . 122.9266905 . 176.2241393 . A 54 GLU H A 54 GLU N A 53 ASP C 1 . . . 1 88 99 . . 22662516 . 8.375982451 . 122.9266905 . 176.4835183 . A 54 GLU H A 54 GLU N A 54 GLU C 1 . . . 1 89 100 . . 9655262 . 8.362480428 . 119.2118462 . 176.4782424 . A 55 ASN H A 55 ASN N A 54 GLU C 1 . . . 1 90 101 . . 25724050 . 8.364931738 . 119.2118462 . 175.5257953 . A 55 ASN H A 55 ASN N A 55 ASN C 1 . . . 1 91 102 . . 12062200 . 8.142822808 . 121.3501592 . 175.5443686 . A 56 GLU H A 56 GLU N A 55 ASN C 1 . . . 1 92 103 . . 21621308 . 8.142658984 . 121.3501592 . 176.7042992 . A 56 GLU H A 56 GLU N A 56 GLU C 1 . . . 1 93 104 . . 8764148 . 8.080771409 . 115.2867237 . 176.6961285 . A 57 THR H A 57 THR N A 56 GLU C 1 . . . 1 94 105 . . 14453331 . 8.079778557 . 115.2867237 . 174.7192725 . A 57 THR H A 57 THR N A 57 THR C 1 . . . 1 95 106 . . 5233765.5 . 8.016170626 . 124.5136908 . 174.7223028 . A 58 LEU H A 58 LEU N A 57 THR C 1 . . . 1 96 107 . . 18603458 . 8.016298488 . 124.5422209 . 177.5360871 . A 58 LEU H A 58 LEU N A 58 LEU C 1 . . . 1 97 108 . . 12143122 . 7.94489679 . 122.2599547 . 177.5367613 . A 59 LEU H A 59 LEU N A 58 LEU C 1 . . . 1 98 109 . . 19270760 . 7.94489679 . 122.2599547 . 177.4033358 . A 59 LEU H A 59 LEU N A 59 LEU C 1 . . . 1 99 110 . . 6428838 . 8.051607381 . 120.0418933 . 177.4188942 . A 60 ASP H A 60 ASP N A 59 LEU C 1 . . . 1 100 111 . . 17338716 . 8.051911468 . 120.1784809 . 176.3692392 . A 60 ASP H A 60 ASP N A 60 ASP C 1 . . . 1 101 112 . . 33824020 . 7.875062916 . 120.6044343 . 176.3641577 . A 61 ARG H A 61 ARG N A 61 ARG C 1 . . . 1 102 114 . . 9956743 . 7.957450333 . 122.0107866 . 176.3641577 . A 62 ILE H A 62 ILE N A 61 ARG C 1 . . . 1 103 115 . . 22044328 . 7.957450333 . 122.0107866 . 176.7157365 . A 62 ILE H A 62 ILE N A 62 ILE C 1 . . . 1 104 116 . . 7883520 . 7.998644041 . 124.2609504 . 176.7157365 . A 63 VAL H A 63 VAL N A 62 ILE C 1 . . . 1 105 117 . . 19894072 . 7.998644041 . 124.5422209 . 175.8953859 . A 63 VAL H A 63 VAL N A 63 VAL C 1 . . . 1 106 118 . . 9678378 . 8.110455535 . 127.3549256 . 175.8953859 . A 64 ALA H A 64 ALA N A 63 VAL C 1 . . . 1 107 119 . . 27733722 . 8.110455535 . 127.3549256 . 177.6532801 . A 64 ALA H A 64 ALA N A 64 ALA C 1 . . . 1 108 120 . . 24585488 . 7.969219964 . 121.7295162 . 177.5360871 . A 65 LEU H A 65 LEU N A 65 LEU C 1 . . . 1 109 121 . . 8652961 . 8.010413672 . 121.1669752 . 177.5360871 . A 66 LYS H A 66 LYS N A 65 LEU C 1 . . . 1 110 122 . . 25207594 . 8.012359518 . 121.2036994 . 176.0939716 . A 66 LYS H A 66 LYS N A 66 LYS C 1 . . . 1 111 123 . . 16529410 . 7.833942418 . 121.0249197 . 176.0311021 . A 68 ILE H A 68 ILE N A 68 ILE C 1 . . . 1 112 124 . . 9010649 . 8.092801089 . 127.0736551 . 176.0125788 . A 69 VAL H A 69 VAL N A 68 ILE C 1 . . . 1 113 125 . . 22276020 . 8.092801089 . 127.0736551 . 173.9031058 . A 69 VAL H A 69 VAL N A 69 VAL C 1 . . . 1 114 126 . . 17634864 . 7.751481791 . 126.7923847 . 180.8174896 . A 76 GLU H A 76 GLU N A 76 GLU C 1 . . . 1 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . aliased 4.89617 ppm . . . . . . 51381 3 2 . . N 15 15N . aliased 36.0026 ppm . . . . . . 51381 3 3 . . C 13 CO . aliased 15.0007 ppm . . . . . . 51381 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51381 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51381 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name HNCO_Tom22_1_74_pH6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 88167440 . 8.030916473 . 113.3840819 . 177.8201959 . A 33 THR H A 33 THR N A 32 ALA C 1 . . . 1 2 2 . . 124662864 . 8.166085879 . 115.7781129 . 177.8534667 . A 31 SER H A 31 SER N A 30 ALA C 1 . . . 1 3 3 . . 140498768 . 8.077589927 . 117.4872875 . 175.7907534 . A 20 SER H A 20 SER N A 20-1 . C 1 . . . 1 4 4 . . 176376032 . 8.3289791 . 120.0535052 . 174.7387144 . A 35 ASN H A 35 ASN N A 34 ASN C 1 . . . 1 5 5 . . 101205032 . 8.285081293 . 119.8940085 . 176.124936 . A 22 ASN H A 22 ASN N A 21 ARG C 1 . . . 1 6 8 . . 213603168 . 8.302605243 . 121.4312105 . 174.2515365 . A 34 ASN H A 34 ASN N A 33 THR C 1 . . . 1 7 9 . . 59147548 . 8.444396333 . 123.4162887 . 174.3928973 . A 1 MET H A 1 MET N A 1-1 . C 1 . . . 1 8 10 . . 112848920 . 8.264997382 . 123.3720181 . 176.4491228 . A 29 LYS H A 29 LYS N A 28 GLU C 1 . . . 1 9 12 . . 143989952 . 8.129697196 . 125.4053889 . 175.4408403 . A 24 ALA H A 24 ALA N A 23 GLN C 1 . . . 1 10 13 . . 178757280 . 8.245072612 . 125.976682 . 176.3592874 . A 30 ALA H A 30 ALA N A 29 LYS C 1 . . . 1 11 14 . . 135374928 . 8.224939093 . 126.7215057 . 174.3617715 . A 32 ALA H A 32 ALA N A 31 SER C 1 . . . 1 12 16 . . 139758768 . 8.190425163 . 123.4001257 . 174.4987529 . A 21 ARG H A 21 ARG N A 20 SER C 1 . . . 1 13 17 . . 144037376 . 8.168083199 . 121.3955835 . 175.1851764 . A 23 GLN H A 23 GLN N A 22 ASN C 1 . . . 1 14 18 . . 132950536 . 7.986875553 . 115.2602953 . 177.3017012 . A 5 THR H A 5 THR N A 4 LEU C 1 . . . 1 15 19 . . 120739080 . 8.225516542 . 123.9657578 . 174.2189891 . A 6 GLU H A 6 GLU N A 5 THR C 1 . . . 1 16 20 . . 86759248 . 8.257577078 . 124.2609504 . 176.1297718 . A 4 LEU H A 4 LEU N A 3 GLU C 1 . . . 1 17 21 . . -90876.15618 . 8.255114565 . 124.331 . 177.3216636 . A 4 LEU H A 4 LEU N A 4 LEU C 1 . . . 1 18 24 . . 171757936 . 8.350710757 . 123.7160964 . 176.2474212 . A 28 GLU H A 28 GLU N A 27 GLU C 1 . . . 1 19 25 . . 121610824 . 8.113479655 . 122.6257058 . 175.7855568 . A 2 VAL H A 2 VAL N A 1 MET C 1 . . . 1 20 32 . . 93439154.64 . 8.0778917 . 120.99 . 176.1195003 . A 67 ASP H A 67 ASP N A 66 LYS C 1 . . . 1 21 33 . . 134304976 . 8.419490311 . 125.6673028 . 175.767797 . A 3 GLU H A 3 GLU N A 2 VAL C 1 . . . 1 22 34 . . 79153664 . 8.115812149 . 123.8692677 . 175.8690907 . A 7 ILE H A 7 ILE N A 6 GLU C 1 . . . 1 23 35 . . 179908112 . 8.315161031 . 127.0620912 . 176.0090449 . A 8 LYS H A 8 LYS N A 7 ILE C 1 . . . 1 24 36 . . 63120064 . 8.214815062 . 122.4632537 . 175.9530686 . A 9 ASP H A 9 ASP N A 8 LYS C 1 . . . 1 25 37 . . 82143672 . 8.204613736 . 120.8857047 . 175.7781929 . A 10 ASP H A 10 ASP N A 9 ASP C 1 . . . 1 26 38 . . 109921464 . 8.065567506 . 125.1581139 . 176.1313135 . A 12 VAL H A 12 VAL N A 11 VAL C 1 . . . 1 27 40 . . 86835208 . 7.883912506 . 120.8716277 . 175.8829889 . A 11 VAL H A 11 VAL N A 10 ASP C 1 . . . 1 28 41 . . 100246176 . 8.346494896 . 125.5682013 . 175.7935866 . A 13 GLN H A 13 GLN N A 12 VAL C 1 . . . 1 29 42 . . 86830960 . 8.220323071 . 125.070238 . 175.4970106 . A 14 LEU H A 14 LEU N A 13 GLN C 1 . . . 1 30 43 . . 159408416 . 7.939797027 . 120.8857047 . 177.5360871 . A 25 ILE H A 25 ILE N A 24 ALA C 1 . . . 1 31 44 . . 144373536 . 8.062473499 . 125.3924496 . 176.2408023 . A 26 VAL H A 26 VAL N A 25 ILE C 1 . . . 1 32 45 . . 127831544 . 8.216222665 . 121.2036994 . 174.696655 . A 36 ASP H A 36 ASP N A 35 ASN C 1 . . . 1 33 46 . . 90745312 . 7.895192518 . 120.8075184 . 175.9695355 . A 37 VAL H A 37 VAL N A 36 ASP C 1 . . . 1 34 47 . . 96378096 . 8.130051566 . 125.070238 . 175.9121943 . A 38 VAL H A 38 VAL N A 37 VAL C 1 . . . 1 35 48 . . 100228000 . 8.298736433 . 125.3631576 . 175.6438856 . A 39 ASP H A 39 ASP N A 38 VAL C 1 . . . 1 36 49 . . 95706160 . 8.206453763 . 121.8769146 . 175.6640595 . A 40 ASP H A 40 ASP N A 39 ASP C 1 . . . 1 37 50 . . 90041560 . 8.233227591 . 121.6137868 . 176.1102809 . A 41 GLU H A 41 GLU N A 40 ASP C 1 . . . 1 38 51 . . 124862064 . 8.258945842 . 122.199626 . 176.1229469 . A 42 ASP H A 42 ASP N A 41 GLU C 1 . . . 1 39 52 . . 153913120 . 8.24376801 . 122.5804215 . 175.886584 . A 43 ASP H A 43 ASP N A 42 ASP C 1 . . . 1 40 53 . . 129602816 . 8.20572434 . 116.9563653 . 176.4430617 . A 44 SER H A 44 SER N A 43 ASP C 1 . . . 1 41 54 . . 136810480 . 8.31054042 . 122.854598 . 174.4890705 . A 45 ASP H A 45 ASP N A 44 SER C 1 . . . 1 42 55 . . 120936208 . 8.069262973 . 116.3853772 . 176.2469647 . A 46 SER H A 46 SER N A 45 ASP C 1 . . . 1 43 56 . . 121786600 . 8.186031275 . 122.8147572 . 174.1186175 . A 47 ASP H A 47 ASP N A 46 SER C 1 . . . 1 44 57 . . 131481304 . 7.985110788 . 120.9109566 . 175.6558799 . A 48 PHE H A 48 PHE N A 47 ASP C 1 . . . 1 45 58 . . 42178136 . 8.145278375 . 123.3713044 . 175.5184985 . A 48 PHE H A 48 PHE N A 47 ASP C 1 . . . 1 46 59 . . 183535104 . 8.145765578 . 122.2920571 . 175.661 . A 50 ASP H A 50 ASP N A 49 GLU C 1 . . . 1 47 60 . . 139682576 . 8.169304842 . 121.7295162 . 175.8953859 . A 51 GLU H A 51 GLU N A 50 ASP C 1 . . . 1 48 61 . . 106925392 . 8.131500644 . 121.6457096 . 175.8878972 . A 52 PHE H A 52 PHE N A 51 GLU C 1 . . . 1 49 62 . . 81030696 . 8.223040933 . 123.5470562 . 176.232528 . A 53 ASP H A 53 ASP N A 52 PHE C 1 . . . 1 50 63 . . 91870136 . 8.37760357 . 122.9266905 . 176.2241393 . A 54 GLU H A 54 GLU N A 53 ASP C 1 . . . 1 51 64 . . 149143904 . 8.362480428 . 119.2118462 . 176.4782424 . A 55 ASN H A 55 ASN N A 54 GLU C 1 . . . 1 52 65 . . 110027704 . 8.142822808 . 121.3501592 . 175.5443686 . A 56 GLU H A 56 GLU N A 55 ASN C 1 . . . 1 53 66 . . 130457736 . 8.080771409 . 115.2867237 . 176.6961285 . A 57 THR H A 57 THR N A 56 GLU C 1 . . . 1 54 67 . . 541763.375 . 8.079778557 . 115.2867237 . 174.7192725 . A 57 THR H A 57 THR N A 57 THR C 1 . . . 1 55 68 . . 149044752 . 8.016170626 . 124.5136908 . 174.7223028 . A 58 LEU H A 58 LEU N A 57 THR C 1 . . . 1 56 69 . . 150605152 . 7.94489679 . 122.2599547 . 177.5367613 . A 59 LEU H A 59 LEU N A 58 LEU C 1 . . . 1 57 70 . . 83106552 . 8.051608526 . 120.3231638 . 177.4188942 . A 60 ASP H A 60 ASP N A 59 LEU C 1 . . . 1 58 71 . . 117759152 . 7.879163225 . 120.6044343 . 176.3692763 . A 61 ARG H A 61 ARG N A 60 ASP C 1 . . . 1 59 72 . . 129478880 . 7.96333629 . 122.0107866 . 176.3641577 . A 62 ILE H A 62 ILE N A 61 ARG C 1 . . . 1 60 73 . . 107922376 . 7.998645184 . 124.5422209 . 176.7157365 . A 63 VAL H A 63 VAL N A 62 ILE C 1 . . . 1 61 74 . . 131641016 . 8.110456684 . 127.3549256 . 175.8953859 . A 64 ALA H A 64 ALA N A 63 VAL C 1 . . . 1 62 75 . . 165575488 . 7.969221105 . 121.7295162 . 177.6532801 . A 65 LEU H A 65 LEU N A 64 ALA C 1 . . . 1 63 76 . . 158021104 . 8.016299632 . 121.1669752 . 177.5360871 . A 66 LYS H A 66 LYS N A 65 LEU C 1 . . . 1 64 77 . . 82395856 . 7.833870343 . 121.1669752 . 175.7781929 . A 68 ILE H A 68 ILE N A 67 ASP C 1 . . . 1 65 78 . . 125635600 . 8.092802237 . 127.0736551 . 176.0125788 . A 69 VAL H A 69 VAL N A 68 ILE C 1 . . . 1 66 79 . . 49743116 . 7.751482922 . 127.0736551 . 176.1297718 . A 76 GLU H A 76 GLU N A 76-1 . C 1 . . . 1 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . aliased 5.46111 ppm . . . . . . 51381 4 2 . . N 15 15N . aliased 36.0026 ppm . . . . . . 51381 4 3 . . C 13 CO . aliased 15.0007 ppm . . . . . . 51381 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51381 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51381 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name HNcoCACB_Tom22_1_74_pH6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 2 . . -46148784 . 8.030363268 . 113.4244058 . 52.51189484 . A 33 THR H A 33 THR N A 32 ALA CA 1 . . . 1 2 3 . . 42443316 . 8.030386471 . 113.4241196 . 19.30900798 . A 33 THR H A 33 THR N A 32 ALA CB 1 . . . 1 3 4 . . -43784272 . 8.165286784 . 115.7576718 . 52.54528869 . A 31 SER H A 31 SER N A 30 ALA CA 1 . . . 1 4 5 . . 39072768 . 8.165298254 . 115.7582691 . 19.13335061 . A 31 SER H A 31 SER N A 30 ALA CB 1 . . . 1 5 6 . . -37424000 . 8.076874997 . 117.4683737 . 57.65781807 . A 20 SER H A 20 SER N A 20-1 . CA 1 . . . 1 6 7 . . 31920796 . 8.076955417 . 117.4685982 . 39.49222098 . A 20 SER H A 20 SER N A 20-1 . CB 1 . . . 1 7 8 . . -45238548 . 8.328662375 . 120.1109721 . 53.18268527 . A 35 ASN H A 35 ASN N A 34 ASN CA 1 . . . 1 8 9 . . 51878624 . 8.328649509 . 120.1108854 . 38.93361017 . A 35 ASN H A 35 ASN N A 34 ASN CB 1 . . . 1 9 10 . . -34998584 . 8.28314354 . 119.9044378 . 56.30869901 . A 22 ASN H A 22 ASN N A 21 ARG CA 1 . . . 1 10 11 . . 29746556 . 8.283196042 . 119.9057168 . 30.56916132 . A 22 ASN H A 22 ASN N A 21 ARG CB 1 . . . 1 11 15 . . 43224048 . 8.301801713 . 121.4232204 . 69.88346189 . A 34 ASN H A 34 ASN N A 33 THR CB 1 . . . 1 12 16 . . -41205212 . 8.301810612 . 121.4219202 . 61.68994443 . A 34 ASN H A 34 ASN N A 33 THR CA 1 . . . 1 13 17 . . -12115598 . 8.443125646 . 123.4417521 . 55.61606202 . A 1 MET H A 1 MET N A 1-1 . CA 1 . . . 1 14 18 . . 10633479 . 8.443089802 . 123.4441326 . 29.82762626 . A 1 MET H A 1 MET N A 1-1 . CB 1 . . . 1 15 20 . . -39926684 . 8.263985481 . 123.3673454 . 56.56297103 . A 29 LYS H A 29 LYS N A 28 GLU CA 1 . . . 1 16 21 . . 33816588 . 8.264046164 . 123.3680351 . 30.2084134 . A 29 LYS H A 29 LYS N A 28 GLU CB 1 . . . 1 17 24 . . -42398536 . 8.129316656 . 125.4611181 . 55.95294943 . A 24 ALA H A 24 ALA N A 23 GLN CA 1 . . . 1 18 25 . . 36475816 . 8.12926923 . 125.4612686 . 29.467254 . A 24 ALA H A 24 ALA N A 23 GLN CB 1 . . . 1 19 26 . . -47878780 . 8.244758729 . 126.0475961 . 56.16382676 . A 30 ALA H A 30 ALA N A 29 LYS CA 1 . . . 1 20 27 . . 42570576 . 8.245003237 . 126.0455847 . 33.0104373 . A 30 ALA H A 30 ALA N A 29 LYS CB 1 . . . 1 21 28 . . 45239044 . 8.224223203 . 126.6854819 . 63.82542074 . A 32 ALA H A 32 ALA N A 31 SER CB 1 . . . 1 22 29 . . -40440244 . 8.224188659 . 126.6841279 . 58.2058583 . A 32 ALA H A 32 ALA N A 31 SER CA 1 . . . 1 23 31 . . 42712964 . 8.216762864 . 121.2340166 . 38.98374373 . A 36 ASP H A 36 ASP N A 35 ASN CB 1 . . . 1 24 32 . . 33289391.47 . 8.190164247 . 123.327 . 63.73167791 . A 21 ARG H A 21 ARG N A 20 SER CB 1 . . . 1 25 33 . . 41249104 . 8.165039218 . 121.2289752 . 38.66426578 . A 23 GLN H A 23 GLN N A 22 ASN CB 1 . . . 1 26 34 . . -52143144 . 8.164411158 . 121.5102457 . 53.69739426 . A 23 GLN H A 23 GLN N A 22 ASN CA 1 . . . 1 27 35 . . -48528412 . 7.984825858 . 115.3361381 . 55.26091974 . A 5 THR H A 5 THR N A 4 LEU CA 1 . . . 1 28 36 . . 41560516 . 7.98487598 . 115.3361525 . 42.22634689 . A 5 THR H A 5 THR N A 4 LEU CB 1 . . . 1 29 37 . . 22934510.6 . 8.249406414 . 124.435 . 30.09103895 . A 4 LEU H A 4 LEU N A 3 GLU CB 1 . . . 1 30 39 . . -30584147.87 . 8.250991134 . 124.435 . 56.3182874 . A 4 LEU H A 4 LEU N A 3 GLU CA 1 . . . 1 31 40 . . -65759796 . 8.340131114 . 125.6908923 . 62.29400665 . A 27 GLU H A 27 GLU N A 26 VAL CA 1 . . . 1 32 41 . . 53121500 . 8.340047357 . 125.6936389 . 32.6950521 . A 27 GLU H A 27 GLU N A 26 VAL CB 1 . . . 1 33 42 . . -40945584 . 8.349602271 . 123.7767313 . 56.34807625 . A 28 GLU H A 28 GLU N A 27 GLU CA 1 . . . 1 34 43 . . 33864860 . 8.349633402 . 123.7760038 . 30.40254477 . A 28 GLU H A 28 GLU N A 27 GLU CB 1 . . . 1 35 44 . . -49600048 . 8.112973313 . 122.6794974 . 55.51393122 . A 2 VAL H A 2 VAL N A 1 MET CA 1 . . . 1 36 45 . . 34067404 . 8.113018651 . 122.6804775 . 32.86686524 . A 2 VAL H A 2 VAL N A 1 MET CB 1 . . . 1 37 52 . . -35852144 . 8.076138927 . 120.9477047 . 56.4328475 . A 67 ASP H A 67 ASP N A 66 LYS CA 1 . . . 1 38 55 . . 30472350 . 8.07794157 . 121.0051993 . 32.94306107 . A 67 ASP H A 67 ASP N A 66 LYS CB 1 . . . 1 39 56 . . 18458078 . 8.417317603 . 125.3285205 . 32.69819486 . A 3 GLU H A 3 GLU N A 2 VAL CB 1 . . . 1 40 57 . . -23159594 . 8.418678678 . 125.3285205 . 62.2933504 . A 3 GLU H A 3 GLU N A 2 VAL CA 1 . . . 1 41 59 . . 27710448 . 8.111447819 . 124.0416799 . 30.71958704 . A 7 ILE H A 7 ILE N A 6 GLU CB 1 . . . 1 42 60 . . -33022240 . 8.111447819 . 124.0416799 . 56.4328475 . A 7 ILE H A 7 ILE N A 6 GLU CA 1 . . . 1 43 61 . . 34207180 . 8.311531544 . 127.1356551 . 38.37885611 . A 8 LYS H A 8 LYS N A 7 ILE CB 1 . . . 1 44 62 . . -39784456 . 8.311531544 . 127.1356551 . 60.80957269 . A 8 LYS H A 8 LYS N A 7 ILE CA 1 . . . 1 45 63 . . -37400484 . 8.217374497 . 122.6353276 . 55.88575685 . A 9 ASP H A 9 ASP N A 8 LYS CA 1 . . . 1 46 64 . . 31134972 . 8.217374497 . 122.6353276 . 33.45504028 . A 9 ASP H A 9 ASP N A 8 LYS CB 1 . . . 1 47 65 . . 35758424 . 8.205604866 . 120.9477047 . 41.11430935 . A 10 ASP H A 10 ASP N A 9 ASP CB 1 . . . 1 48 66 . . -42846404 . 8.211489682 . 121.2289752 . 53.69739426 . A 10 ASP H A 10 ASP N A 9 ASP CA 1 . . . 1 49 67 . . 27269050 . 8.060718141 . 125.1581139 . 32.68894193 . A 12 VAL H A 12 VAL N A 11 VAL CB 1 . . . 1 50 68 . . -44444120 . 8.064369296 . 125.1667618 . 61.90375398 . A 12 VAL H A 12 VAL N A 11 VAL CA 1 . . . 1 51 70 . . 62404904 . 7.8896493 . 120.8716277 . 41.08881828 . A 11 VAL H A 11 VAL N A 10 ASP CB 1 . . . 1 52 71 . . -55585300 . 7.888061745 . 120.8716277 . 54.5258832 . A 11 VAL H A 11 VAL N A 10 ASP CA 1 . . . 1 53 73 . . 36105080 . 8.345351989 . 125.5693866 . 32.48438795 . A 13 GLN H A 13 GLN N A 12 VAL CB 1 . . . 1 54 74 . . -43073828 . 8.345352089 . 125.5693866 . 62.00390247 . A 13 GLN H A 13 GLN N A 12 VAL CA 1 . . . 1 55 75 . . 29982786 . 8.217374497 . 125.1667618 . 29.62540574 . A 14 LEU H A 14 LEU N A 13 GLN CB 1 . . . 1 56 76 . . -34654504 . 8.217374497 . 125.1667618 . 55.3386662 . A 14 LEU H A 14 LEU N A 13 GLN CA 1 . . . 1 57 77 . . 24687106 . 7.937127218 . 120.8389248 . 19.02132386 . A 25 ILE H A 25 ILE N A 24 ALA CB 1 . . . 1 58 78 . . -37882440 . 7.940788171 . 120.9477047 . 52.60321296 . A 25 ILE H A 25 ILE N A 24 ALA CA 1 . . . 1 59 79 . . 28186956 . 8.064369296 . 125.4480323 . 38.37885611 . A 26 VAL H A 26 VAL N A 25 ILE CB 1 . . . 1 60 80 . . -31926288 . 8.060197806 . 125.3655925 . 61.08207422 . A 26 VAL H A 26 VAL N A 25 ILE CA 1 . . . 1 61 82 . . -33779264 . 8.215207592 . 121.3185675 . 53.23562241 . A 36 ASP H A 36 ASP N A 35 ASN CA 1 . . . 1 62 83 . . 58268896 . 7.888570408 . 120.8075184 . 40.80232457 . A 37 VAL H A 37 VAL N A 36 ASP CB 1 . . . 1 63 84 . . -54737264 . 7.889004799 . 120.822711 . 54.26372364 . A 37 VAL H A 37 VAL N A 36 ASP CA 1 . . . 1 64 85 . . 29954940 . 8.129102265 . 125.1667618 . 32.90794963 . A 38 VAL H A 38 VAL N A 37 VAL CB 1 . . . 1 65 86 . . -35542616 . 8.129102265 . 125.1667618 . 62.45084463 . A 38 VAL H A 38 VAL N A 37 VAL CA 1 . . . 1 66 87 . . 24723404 . 8.298961882 . 125.4040622 . 32.93870126 . A 39 ASP H A 39 ASP N A 38 VAL CB 1 . . . 1 67 88 . . -31247868 . 8.300517632 . 125.4040622 . 61.86342165 . A 39 ASP H A 39 ASP N A 38 VAL CA 1 . . . 1 68 89 . . 28090102 . 8.204108369 . 121.8769146 . 41.21453387 . A 40 ASP H A 40 ASP N A 39 ASP CB 1 . . . 1 69 90 . . -28157398 . 8.205047623 . 121.8769146 . 54.1837492 . A 40 ASP H A 40 ASP N A 39 ASP CA 1 . . . 1 70 91 . . 35667952 . 8.235028943 . 121.5102457 . 41.6614 . A 41 GLU H A 41 GLU N A 40 ASP CB 1 . . . 1 71 92 . . -41650740 . 8.233695803 . 121.6137868 . 54.19664467 . A 41 GLU H A 41 GLU N A 40 ASP CA 1 . . . 1 72 93 . . -37581924 . 8.258568205 . 122.3540571 . 56.4328475 . A 42 ASP H A 42 ASP N A 41 GLU CA 1 . . . 1 73 94 . . 28264576 . 8.257861816 . 122.199626 . 30.19082053 . A 42 ASP H A 42 ASP N A 41 GLU CB 1 . . . 1 74 95 . . 26115426 . 8.245447899 . 122.5804215 . 41.18517486 . A 43 ASP H A 43 ASP N A 42 ASP CB 1 . . . 1 75 96 . . -23206850 . 8.244360674 . 122.5804215 . 54.34315306 . A 43 ASP H A 43 ASP N A 42 ASP CA 1 . . . 1 76 97 . . 36362712 . 8.206029907 . 116.9563653 . 40.91893414 . A 44 SER H A 44 SER N A 43 ASP CB 1 . . . 1 77 98 . . -28337056 . 8.201668563 . 116.9563653 . 53.99677796 . A 44 SER H A 44 SER N A 43 ASP CA 1 . . . 1 78 99 . . -34134000 . 8.311531544 . 122.916598 . 59.16830074 . A 45 ASP H A 45 ASP N A 44 SER CA 1 . . . 1 79 100 . . 36146176 . 8.311531544 . 122.916598 . 64.09211657 . A 45 ASP H A 45 ASP N A 44 SER CB 1 . . . 1 80 101 . . 32314184 . 8.070254111 . 116.4473772 . 41.11430935 . A 46 SER H A 46 SER N A 45 ASP CB 1 . . . 1 81 102 . . -29419028 . 8.070254111 . 116.4473772 . 54.24448491 . A 46 SER H A 46 SER N A 45 ASP CA 1 . . . 1 82 103 . . -35116388 . 8.182065604 . 122.916598 . 58.62121009 . A 47 ASP H A 47 ASP N A 46 SER CA 1 . . . 1 83 104 . . 40516808 . 8.182065604 . 122.916598 . 64.09211657 . A 47 ASP H A 47 ASP N A 46 SER CA 1 . . . 1 84 105 . . 25807260 . 7.981981879 . 120.9477047 . 41.11430935 . A 48 PHE H A 48 PHE N A 47 ASP CB 1 . . . 1 85 106 . . -19914748 . 7.980214666 . 120.9109566 . 54.20330203 . A 48 PHE H A 48 PHE N A 47 ASP CA 1 . . . 1 86 108 . . 40305324 . 8.146756712 . 123.1978685 . 39.47303741 . A 49 GLU H A 49 GLU N A 48 PHE CB 1 . . . 1 87 109 . . -50419304 . 8.152641527 . 123.1978685 . 57.5270288 . A 49 GLU H A 49 GLU N A 48 PHE CA 1 . . . 1 88 110 . . 27737392 . 8.140871896 . 122.3540571 . 30.17249639 . A 50 ASP H A 50 ASP N A 49 GLU CB 1 . . . 1 89 111 . . -30568850 . 8.140587296 . 122.228918 . 56.10192833 . A 50 ASP H A 50 ASP N A 49 GLU CA 1 . . . 1 90 112 . . 27534734 . 8.168378905 . 121.6771076 . 41.38051241 . A 51 GLU H A 51 GLU N A 50 ASP CB 1 . . . 1 91 113 . . -37019384 . 8.167833827 . 121.6771076 . 54.19739987 . A 51 GLU H A 51 GLU N A 50 ASP CA 1 . . . 1 92 114 . . 22671166 . 8.128065703 . 121.6503565 . 30.13850023 . A 52 PHE H A 52 PHE N A 51 GLU CB 1 . . . 1 93 115 . . -28218174 . 8.129172315 . 121.6503565 . 56.40000745 . A 52 PHE H A 52 PHE N A 51 GLU CA 1 . . . 1 94 116 . . 32143934 . 8.374010415 . 122.931925 . 41.42699612 . A 54 GLU H A 54 GLU N A 53 ASP CB 1 . . . 1 95 117 . . -29496868 . 8.380356865 . 122.931925 . 53.7814815 . A 54 GLU H A 54 GLU N A 53 ASP CA 1 . . . 1 96 118 . . -9641240 . 8.196681677 . 123.5470562 . 57.40775336 . A 53 ASP H A 53 ASP N A 52 PHE CA 1 . . . 1 97 119 . . -274989.3438 . 8.19142406 . 123.5470562 . 39.70632972 . A 53 ASP H A 53 ASP N A 52 PHE CB 1 . . . 1 98 120 . . 27061524 . 8.365874451 . 119.2118462 . 29.74794614 . A 55 ASN H A 55 ASN N A 54 GLU CB 1 . . . 1 99 121 . . -31172096 . 8.36005582 . 119.2118462 . 57.06184691 . A 55 ASN H A 55 ASN N A 54 GLU CA 1 . . . 1 100 122 . . -25014648 . 8.136493759 . 121.3466708 . 53.8667268 . A 56 GLU H A 56 GLU N A 55 ASN CA 1 . . . 1 101 123 . . 28816508 . 8.137723286 . 121.3466708 . 39.00854496 . A 56 GLU H A 56 GLU N A 55 ASN CB 1 . . . 1 102 124 . . 22441532 . 8.079070151 . 115.2867237 . 29.97211725 . A 57 THR H A 57 THR N A 56 GLU CB 1 . . . 1 103 125 . . -28026592 . 8.081318696 . 115.2867237 . 57.24550042 . A 57 THR H A 57 THR N A 56 GLU CA 1 . . . 1 104 126 . . -30295578 . 8.010376399 . 124.5119437 . 62.43873921 . A 58 LEU H A 58 LEU N A 57 THR CA 1 . . . 1 105 127 . . 27755182 . 8.011964425 . 124.5119437 . 69.56707605 . A 58 LEU H A 58 LEU N A 57 THR CB 1 . . . 1 106 128 . . 29330854 . 7.946672987 . 122.3540571 . 42.20849065 . A 59 LEU H A 59 LEU N A 58 LEU CB 1 . . . 1 107 129 . . -37012064 . 7.946672987 . 122.3540571 . 55.88575685 . A 59 LEU H A 59 LEU N A 58 LEU CA 1 . . . 1 108 130 . . 27011596 . 8.052599665 . 120.1038933 . 42.20849065 . A 60 ASP H A 60 ASP N A 59 LEU CB 1 . . . 1 109 131 . . -33123796 . 8.052599665 . 120.1038933 . 55.88575685 . A 60 ASP H A 60 ASP N A 59 LEU CA 1 . . . 1 110 132 . . 49894032 . 7.88203635 . 120.6272999 . 40.93673456 . A 61 ARG H A 61 ARG N A 60 ASP CB 1 . . . 1 111 133 . . -38433484 . 7.873852091 . 120.6272999 . 54.79272678 . A 61 ARG H A 61 ARG N A 60 ASP CA 1 . . . 1 112 134 . . 22254188 . 7.956002679 . 121.9359984 . 30.71200972 . A 62 ILE H A 62 ILE N A 61 ARG CB 1 . . . 1 113 135 . . -28393244 . 7.953814065 . 121.9359984 . 56.41081878 . A 62 ILE H A 62 ILE N A 61 ARG CA 1 . . . 1 114 136 . . 19775332 . 7.99375151 . 124.3229504 . 38.37885611 . A 63 VAL H A 63 VAL N A 62 ILE CB 1 . . . 1 115 138 . . -26085240 . 7.996944298 . 124.4267222 . 61.65200019 . A 63 VAL H A 63 VAL N A 62 ILE CA 1 . . . 1 116 139 . . -36038460 . 8.111447819 . 127.4169256 . 62.99793528 . A 64 ALA H A 64 ALA N A 63 VAL CA 1 . . . 1 117 141 . . 28438192 . 8.111447819 . 127.4169256 . 32.36085898 . A 64 ALA H A 64 ALA N A 63 VAL CB 1 . . . 1 118 142 . . 34954052 . 7.964327433 . 121.7915162 . 19.23068343 . A 65 LEU H A 65 LEU N A 64 ALA CB 1 . . . 1 119 144 . . -37818748 . 7.964327433 . 121.7915162 . 52.60321296 . A 65 LEU H A 65 LEU N A 64 ALA CA 1 . . . 1 120 145 . . 34312580 . 8.011405957 . 121.2289752 . 42.20849065 . A 66 LYS H A 66 LYS N A 65 LEU CB 1 . . . 1 121 146 . . -56457788 . 8.011405957 . 120.9477047 . 55.88575685 . A 66 LYS H A 66 LYS N A 65 LEU CA 1 . . . 1 122 147 . . 27035410 . 7.834861493 . 120.9477047 . 41.11430935 . A 68 ILE H A 68 ILE N A 67 ASP CB 1 . . . 1 123 148 . . -24969984 . 7.834861493 . 120.9477047 . 54.24448491 . A 68 ILE H A 68 ILE N A 67 ASP CA 1 . . . 1 124 149 . . 23363810 . 8.093793373 . 127.1356551 . 38.92594676 . A 69 VAL H A 69 VAL N A 68 ILE CB 1 . . . 1 125 150 . . -28204268 . 8.093793373 . 127.1356551 . 60.80957269 . A 69 VAL H A 69 VAL N A 68 ILE CA 1 . . . 1 126 151 . . 25665906 . 7.752474077 . 126.8543847 . 42.20849065 . A 76 GLU H A 76 GLU N A 76-1 . CB 1 . . . 1 127 152 . . -28383204 . 7.752474077 . 126.8543847 . 55.3386662 . A 76 GLU H A 76 GLU N A 76-1 . CA 1 . . . 1 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . aliased 6.02605 ppm . . . . . . 51381 5 2 . . N 15 15N . aliased 36.0026 ppm . . . . . . 51381 5 3 . . C 13 CaCb . aliased 70.0276 ppm . . . . . . 51381 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51381 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 51381 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name hNcocaNH_Tom22_1_74_pH6 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D hNcocaNH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 166204832 . 8.027881721 . 113.4128859 . 113.4089387 . A 33 THR H A 33 THR N A 33 THR N 1 . . . 1 2 2 . . -240999758.2 . 8.029 . 113.4150477 . 121.3394908 . A 33 THR H A 33 THR N A 34 ASN N 1 . . . 1 3 3 . . 162696448 . 8.162622036 . 115.718441 . 115.7148453 . A 31 SER H A 31 SER N A 31 SER N 1 . . . 1 4 4 . . -211772457.5 . 8.164 . 115.7044147 . 126.653169 . A 31 SER H A 31 SER N A 32 ALA N 1 . . . 1 5 5 . . 115397856 . 8.074837846 . 117.4214112 . 117.4291594 . A 20 SER H A 20 SER N A 20 SER N 1 . . . 1 6 6 . . -156417696 . 8.07837334 . 117.4604352 . 123.2965184 . A 20 SER H A 20 SER N A 21 ARG N 1 . . . 1 7 7 . . 178320976 . 8.326401815 . 120.0771585 . 120.081568 . A 35 ASN H A 35 ASN N A 35 ASN N 1 . . . 1 8 8 . . -118303756.2 . 8.323 . 120.0597959 . 121.2025 . A 35 ASN H A 35 ASN N A 36 ASP N 1 . . . 1 9 9 . . 117498504 . 8.281324023 . 119.8894874 . 119.8953161 . A 22 ASN H A 22 ASN N A 22 ASN N 1 . . . 1 10 10 . . -153328960 . 8.284341884 . 119.8666944 . 121.3199483 . A 22 ASN H A 22 ASN N A 23 GLN N 1 . . . 1 11 15 . . 129147656 . 8.299771183 . 121.3705008 . 121.3699622 . A 34 ASN H A 34 ASN N A 34 ASN N 1 . . . 1 12 16 . . -218599616 . 8.301996331 . 121.4135753 . 120.1168187 . A 34 ASN H A 34 ASN N A 35 ASN N 1 . . . 1 13 17 . . 39984820 . 8.441759018 . 123.4020282 . 123.4014672 . A 1 MET H A 1 MET N A 1 MET N 1 . . . 1 14 18 . . -78684565.39 . 8.441 . 123.3969828 . 122.6802883 . A 1 MET H A 1 MET N A 2 VAL N 1 . . . 1 15 19 . . 126732296 . 8.261914571 . 123.3134004 . 123.3237263 . A 29 LYS H A 29 LYS N A 29 LYS N 1 . . . 1 16 20 . . -133319702.3 . 8.258 . 123.3125083 . 126.0428204 . A 29 LYS H A 29 LYS N A 30 ALA N 1 . . . 1 17 23 . . 129292504 . 8.126887062 . 125.430984 . 125.4290451 . A 24 ALA H A 24 ALA N A 24 ALA N 1 . . . 1 18 24 . . -124014651 . 8.123 . 125.4274661 . 120.8599167 . A 24 ALA H A 24 ALA N A 25 ILE N 1 . . . 1 19 25 . . 128470400 . 8.242084229 . 126.0219777 . 126.0304996 . A 30 ALA H A 30 ALA N A 30 ALA N 1 . . . 1 20 26 . . -207294947.2 . 8.241 . 126.0146944 . 115.7060444 . A 30 ALA H A 30 ALA N A 31 SER N 1 . . . 1 21 27 . . 140475648 . 8.221897489 . 126.6621247 . 126.6643409 . A 32 ALA H A 32 ALA N A 32 ALA N 1 . . . 1 22 28 . . -184460831.8 . 8.223 . 126.6726091 . 113.4564044 . A 32 ALA H A 32 ALA N A 33 THR N 1 . . . 1 23 29 . . -130153727.3 . 8.209 . 121.191067 . 120.7272952 . A 36 ASP H A 36 ASP N A 37 VAL N 1 . . . 1 24 30 . . 109972472 . 8.186910628 . 123.3394214 . 123.3549437 . A 21 ARG H A 21 ARG N A 21 ARG N 1 . . . 1 25 31 . . -135343971.7 . 8.19 . 123.3264009 . 119.9057539 . A 21 ARG H A 21 ARG N A 22 ASN N 1 . . . 1 26 32 . . 155001936 . 8.163512425 . 121.3373408 . 121.3324527 . A 23 GLN H A 23 GLN N A 23 GLN N 1 . . . 1 27 33 . . -118230928.8 . 8.162 . 121.2814984 . 125.4348436 . A 23 GLN H A 23 GLN N A 24 ALA N 1 . . . 1 28 34 . . 142060400 . 7.982906309 . 115.3131004 . 115.315015 . A 5 THR H A 5 THR N A 5 THR N 1 . . . 1 29 35 . . -165588924.5 . 7.988 . 115.3084798 . 123.8942443 . A 5 THR H A 5 THR N A 6 GLU N 1 . . . 1 30 36 . . 88634888 . 8.347621153 . 123.7545661 . 123.8190884 . A 28 GLU H A 28 GLU N A 28 GLU N 1 . . . 1 31 37 . . -158545300.4 . 8.350134734 . 123.7379334 . 123.2533876 . A 28 GLU H A 28 GLU N A 29 LYS N 1 . . . 1 32 38 . . 132287232 . 8.110086785 . 122.6809725 . 122.6781357 . A 2 VAL H A 2 VAL N A 2 VAL N 1 . . . 1 33 39 . . -161997840 . 8.107797418 . 122.7026427 . 125.5309019 . A 2 VAL H A 2 VAL N A 3 GLU N 1 . . . 1 34 44 . . -182550208 . 8.417 . 125.5573157 . 124.336954 . A 3 GLU H A 3 GLU N A 4 LEU N 1 . . . 1 35 45 . . -152754336 . 8.254917807 . 124.3354614 . 115.3043004 . A 4 LEU H A 4 LEU N A 5 THR N 1 . . . 1 36 46 . . -175503536 . 7.98 . 115.3222342 . 123.9028319 . A 5 THR H A 5 THR N A 6 GLU N 1 . . . 1 37 47 . . -32076828 . 8.225 . 123.9226876 . 123.7106149 . A 6 GLU H A 6 GLU N A 7 ILE N 1 . . . 1 38 48 . . -140003872 . 8.113682233 . 123.9057723 . 127.0777828 . A 7 ILE H A 7 ILE N A 8 LYS N 1 . . . 1 39 49 . . -148728208 . 8.313765962 . 127.0854719 . 122.4371401 . A 8 LYS H A 8 LYS N A 9 ASP N 1 . . . 1 40 50 . . -142160064 . 8.211 . 122.4546853 . 120.9841263 . A 9 ASP H A 9 ASP N A 10 ASP N 1 . . . 1 41 51 . . -79963584 . 8.199 . 120.9966299 . 120.6548288 . A 10 ASP H A 10 ASP N A 11 VAL N 1 . . . 1 42 52 . . -137915888 . 8.063 . 125.1720691 . 125.6055606 . A 12 VAL H A 12 VAL N A 13 GLN N 1 . . . 1 43 54 . . -39441364 . 7.87 . 120.8204298 . 125.1184212 . A 11 VAL H A 11 VAL N A 12 VAL N 1 . . . 1 44 55 . . -173153888 . 8.342 . 125.5763384 . 125.0472982 . A 13 GLN H A 13 GLN N A 14 LEU N 1 . . . 1 45 56 . . -113336840 . 8.219 . 125.0847369 . 121.6287485 . A 14 LEU H A 14 LEU N A 14+1 . N 1 . . . 1 46 57 . . -82562344 . 7.93 . 120.8711011 . 125.3983711 . A 25 ILE H A 25 ILE N A 26 VAL N 1 . . . 1 47 58 . . -127838272 . 8.061 . 125.3765326 . 125.7972787 . A 26 VAL H A 26 VAL N A 27 GLU N 1 . . . 1 48 59 . . -142600304 . 8.33 . 125.7148752 . 123.7411638 . A 27 GLU H A 27 GLU N A 28 GLU N 1 . . . 1 49 60 . . -253578176 . 7.89 . 120.8476899 . 125.1206288 . A 37 VAL H A 37 VAL N A 38 VAL N 1 . . . 1 50 61 . . -83573416 . 8.121 . 125.0517239 . 125.378652 . A 38 VAL H A 38 VAL N A 39 ASP N 1 . . . 1 51 62 . . -163110144 . 8.296111515 . 125.2807775 . 121.9215131 . A 39 ASP H A 39 ASP N A 40 ASP N 1 . . . 1 52 63 . . -80568736 . 8.206 . 121.8906114 . 121.5856204 . A 40 ASP H A 40 ASP N A 41 GLU N 1 . . . 1 53 64 . . -173050576 . 8.227 . 121.6043155 . 122.3534139 . A 41 GLU H A 41 GLU N A 42 ASP N 1 . . . 1 54 65 . . -96955744 . 8.258 . 122.2159517 . 122.6657448 . A 42 ASP H A 42 ASP N A 43 ASP N 1 . . . 1 55 66 . . -107439712 . 8.243148175 . 122.6167049 . 116.9371191 . A 43 ASP H A 43 ASP N A 44 SER N 1 . . . 1 56 67 . . -170114624 . 8.201 . 116.963585 . 122.9329127 . A 44 SER H A 44 SER N A 45 ASP N 1 . . . 1 57 68 . . -114799360 . 8.307881147 . 122.9604562 . 116.50743 . A 45 ASP H A 45 ASP N A 46 SER N 1 . . . 1 58 69 . . -176474560 . 8.066603709 . 116.5151191 . 122.7808914 . A 46 SER H A 46 SER N A 47 ASP N 1 . . . 1 59 70 . . -105121240 . 8.18430002 . 122.7885805 . 120.8902592 . A 47 ASP H A 47 ASP N A 48 PHE N 1 . . . 1 60 71 . . -150735616 . 7.984216291 . 120.8979483 . 123.2105805 . A 48 PHE H A 48 PHE N A 49 GLU N 1 . . . 1 61 72 . . -101478592 . 8.143106311 . 123.2789706 . 122.3887113 . A 49 GLU H A 49 GLU N A 50 ASP N 1 . . . 1 62 73 . . -153587472 . 8.143106311 . 122.2729536 . 121.6636996 . A 50 ASP H A 50 ASP N A 51 GLU N 1 . . . 1 63 74 . . -144846640 . 8.127 . 121.6500646 . 123.3827667 . A 52 PHE H A 52 PHE N A 53 ASP N 1 . . . 1 64 75 . . -108353456 . 8.373 . 122.9496271 . 119.2225243 . A 54 GLU H A 54 GLU N A 55 ASN N 1 . . . 1 65 76 . . -120289888 . 8.358 . 119.211978 . 121.3864264 . A 55 ASN H A 55 ASN N A 56 GLU N 1 . . . 1 66 77 . . -105766736 . 8.14 . 121.3721765 . 115.2697963 . A 56 GLU H A 56 GLU N A 57 THR N 1 . . . 1 67 78 . . -109823504 . 8.077 . 115.2299956 . 124.5673728 . A 57 THR H A 57 THR N A 58 LEU N 1 . . . 1 68 79 . . -101025864 . 8.01 . 124.5034844 . 122.2550222 . A 58 LEU H A 58 LEU N A 59 LEU N 1 . . . 1 69 80 . . -101230912 . 7.94 . 122.2961007 . 120.1975249 . A 59 LEU H A 59 LEU N A 60 ASP N 1 . . . 1 70 81 . . -98351536 . 8.048949262 . 120.2104457 . 120.6324457 . A 60 ASP H A 60 ASP N A 61 ARG N 1 . . . 1 71 82 . . -106829872 . 7.872404796 . 120.6401348 . 121.9215131 . A 61 ARG H A 61 ARG N A 62 ILE N 1 . . . 1 72 83 . . -99857184 . 7.960677029 . 121.9292023 . 124.4137101 . A 62 ILE H A 62 ILE N A 63 VAL N 1 . . . 1 73 84 . . -122704664 . 7.995985922 . 124.4213993 . 127.3355963 . A 63 VAL H A 63 VAL N A 64 ALA N 1 . . . 1 74 85 . . -138492000 . 8.107797418 . 127.3432854 . 121.7496375 . A 64 ALA H A 64 ALA N A 65 LEU N 1 . . . 1 75 86 . . -151409616 . 7.966561844 . 121.7573266 . 121.1480727 . A 65 LEU H A 65 LEU N A 66 LYS N 1 . . . 1 76 87 . . -86012216 . 8.011 . 121.1822293 . 120.8480029 . A 66 LYS H A 66 LYS N A 67 ASP N 1 . . . 1 77 88 . . -106203816 . 7.831211087 . 121.069824 . 127.0777828 . A 68 ILE H A 68 ILE N A 69 VAL N 1 . . . 1 78 89 . . -12650487 . 8.073 . 120.9666178 . 121.2512451 . A 67 ASP H A 67 ASP N A 68 ILE N 1 . . . 1 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . aliased 1.88314 ppm . . . . . . 51381 6 2 . . N 15 15N . aliased 22.0001 ppm . . . . . . 51381 6 3 . . N 15 15N . aliased 22.0001 ppm . . . . . . 51381 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51381 6 stop_ save_