data_5875 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5875 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments of the dimeric mutant of GB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-18 _Entry.Accession_date 2003-07-18 _Entry.Last_release_date 2003-12-05 _Entry.Original_release_date 2003-12-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 In-Ja Byeon . L. . 5875 2 John Louis . M. . 5875 3 Angela Gronenborn . M. . 5875 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5875 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 5875 '15N chemical shifts' 61 5875 '1H chemical shifts' 362 5875 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 . . 2003-12-05 2003-07-18 original author . 5875 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Q1O 'BMRB Entry Tracking System' 5875 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5875 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22879646 _Citation.DOI . _Citation.PubMed_ID 14516749 _Citation.Full_citation . _Citation.Title ; A Protein Contortionist: Core Mutations of GB1 that Induce Dimerization and Domain Swapping ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 333 _Citation.Journal_issue 1 _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 141 _Citation.Page_last 152 _Citation.Year 2003 _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.Entry_ID _Citation_author.Citation_ID 1 In-Ja Byeon . L. . 5875 1 2 John Louis . M. . 5875 1 3 Angela Gronenborn . M. . 5875 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'core mutants' 5875 1 domain-swapping 5875 1 GB1 5875 1 'NMR structure' 5875 1 oligomerization 5875 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GB1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GB1 _Assembly.Entry_ID 5875 _Assembly.ID 1 _Assembly.Name 'The B1 Domain of Streptococcal Protein G' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5875 1 stop_ 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 'GB1 subunit A' 1 $GB1_monomer . . . native . . 1 . . 5875 1 2 'GB1 subunit B' 1 $GB1_monomer . . . native . . 1 . . 5875 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Q10 . . . . . . 5875 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID GB1 abbreviation 5875 1 'The B1 Domain of Streptococcal Protein G' system 5875 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Immunoglobulin Binding Protein G' 5875 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GB1_monomer _Entity.Sf_category entity _Entity.Sf_framecode GB1_monomer _Entity.Entry_ID 5875 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Immunoglobulin Binding domain 1 of Protein G' _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 ; MQYKVILNGKTLKGETTTEA VDAATAEKVVKQFFNDNGVD GEWTYDDATKTFTVTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6220.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5654 . pG . . . . . 100.00 56 98.21 98.21 4.91e-29 . . . . 5875 1 2 no PDB 1MPE . "Ensemble Of 20 Structures Of The Tetrameric Mutant Of The B1 Domain Of Streptococcal Protein G" . . . . . 100.00 56 98.21 98.21 4.91e-29 . . . . 5875 1 3 no PDB 1MVK . "X-ray Structure Of The Tetrameric Mutant Of The B1 Domain Of Streptococcal Protein G" . . . . . 100.00 56 98.21 98.21 4.91e-29 . . . . 5875 1 4 no PDB 1Q10 . "Ensemble Of 40 Structures Of The Dimeric Mutant Of The B1 Domain Of Streptococcal Protein G" . . . . . 100.00 56 100.00 100.00 3.75e-30 . . . . 5875 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GB1 abbreviation 5875 1 'Immunoglobulin Binding domain 1 of Protein G' common 5875 1 T228Q/L231V/F256V/Y259F/A260F variant 5875 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 . MET . 5875 1 2 . GLN . 5875 1 3 . TYR . 5875 1 4 . LYS . 5875 1 5 . VAL . 5875 1 6 . ILE . 5875 1 7 . LEU . 5875 1 8 . ASN . 5875 1 9 . GLY . 5875 1 10 . LYS . 5875 1 11 . THR . 5875 1 12 . LEU . 5875 1 13 . LYS . 5875 1 14 . GLY . 5875 1 15 . GLU . 5875 1 16 . THR . 5875 1 17 . THR . 5875 1 18 . THR . 5875 1 19 . GLU . 5875 1 20 . ALA . 5875 1 21 . VAL . 5875 1 22 . ASP . 5875 1 23 . ALA . 5875 1 24 . ALA . 5875 1 25 . THR . 5875 1 26 . ALA . 5875 1 27 . GLU . 5875 1 28 . LYS . 5875 1 29 . VAL . 5875 1 30 . VAL . 5875 1 31 . LYS . 5875 1 32 . GLN . 5875 1 33 . PHE . 5875 1 34 . PHE . 5875 1 35 . ASN . 5875 1 36 . ASP . 5875 1 37 . ASN . 5875 1 38 . GLY . 5875 1 39 . VAL . 5875 1 40 . ASP . 5875 1 41 . GLY . 5875 1 42 . GLU . 5875 1 43 . TRP . 5875 1 44 . THR . 5875 1 45 . TYR . 5875 1 46 . ASP . 5875 1 47 . ASP . 5875 1 48 . ALA . 5875 1 49 . THR . 5875 1 50 . LYS . 5875 1 51 . THR . 5875 1 52 . PHE . 5875 1 53 . THR . 5875 1 54 . VAL . 5875 1 55 . THR . 5875 1 56 . GLU . 5875 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5875 1 . GLN 2 2 5875 1 . TYR 3 3 5875 1 . LYS 4 4 5875 1 . VAL 5 5 5875 1 . ILE 6 6 5875 1 . LEU 7 7 5875 1 . ASN 8 8 5875 1 . GLY 9 9 5875 1 . LYS 10 10 5875 1 . THR 11 11 5875 1 . LEU 12 12 5875 1 . LYS 13 13 5875 1 . GLY 14 14 5875 1 . GLU 15 15 5875 1 . THR 16 16 5875 1 . THR 17 17 5875 1 . THR 18 18 5875 1 . GLU 19 19 5875 1 . ALA 20 20 5875 1 . VAL 21 21 5875 1 . ASP 22 22 5875 1 . ALA 23 23 5875 1 . ALA 24 24 5875 1 . THR 25 25 5875 1 . ALA 26 26 5875 1 . GLU 27 27 5875 1 . LYS 28 28 5875 1 . VAL 29 29 5875 1 . VAL 30 30 5875 1 . LYS 31 31 5875 1 . GLN 32 32 5875 1 . PHE 33 33 5875 1 . PHE 34 34 5875 1 . ASN 35 35 5875 1 . ASP 36 36 5875 1 . ASN 37 37 5875 1 . GLY 38 38 5875 1 . VAL 39 39 5875 1 . ASP 40 40 5875 1 . GLY 41 41 5875 1 . GLU 42 42 5875 1 . TRP 43 43 5875 1 . THR 44 44 5875 1 . TYR 45 45 5875 1 . ASP 46 46 5875 1 . ASP 47 47 5875 1 . ALA 48 48 5875 1 . THR 49 49 5875 1 . LYS 50 50 5875 1 . THR 51 51 5875 1 . PHE 52 52 5875 1 . THR 53 53 5875 1 . VAL 54 54 5875 1 . THR 55 55 5875 1 . GLU 56 56 5875 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5875 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GB1_monomer . 1306 . . 'Streptococcus Streptococcus sp. (Lancefield Group G)' 'Streptococcus sp. (Lancefield Group G)' . . Eubacteria . Streptococcus 'Streptococcus sp. (Lancefield Group G)' . . . . . . . . . . . . . . . . . . . . . 5875 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5875 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GB1_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5875 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Immunoglobulin Binding domain 1 of Protein G' '[U-95% 13C; U-95% 15N]' . . 1 $GB1_monomer . . 1.7 . . mM . . . . 5875 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5875 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 5875 1 temperature 298 1 K 5875 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 5875 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5875 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5875 _Software.ID 2 _Software.Name PIPP _Software.Version 4.3.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5875 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5875 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5875 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5875 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5875 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 5875 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5875 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 800 . . . 5875 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 5875 1 3 NMR_spectrometer_3 Bruker DRX . 600 . . . 5875 1 4 NMR_spectrometer_4 Bruker DMX . 600 . . . 5875 1 5 NMR_spectrometer_5 Bruker DMX . 500 . . . 5875 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5875 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 3 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 4 '2D 1H-13C HSQC/HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 5 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 6 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 8 '3D H(CCO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 9 '3D C(CCO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 10 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 11 '3D HACAHB-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 12 '2D 13C'-{13CG} spin-echo difference' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 13 '2D 15N-{13C'} spin-echo difference' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 14 '2D 13C'-{13CG} spin-echo difference arom' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 15 '2D 15N-{13C'} spin-echo difference arom' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 16 '2D [13C-13C] long-range correlation experiment' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 17 '3D 15N-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 18 '3D 15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5875 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-13C HSQC/HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D H(CCO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D C(CCO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HACAHB-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D 13C'-{13CG} spin-echo difference' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D 15N-{13C'} spin-echo difference' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D 13C'-{13CG} spin-echo difference arom' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D 15N-{13C'} spin-echo difference arom' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '2D [13C-13C] long-range correlation experiment' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D 15N-edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 5875 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '3D 15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5875 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5875 1 H 1 H2O protons . . . . ppm 4.780 internal direct 1.0 . . . . . . . . . 5875 1 N 15 H2O protons . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5875 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5875 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5875 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.6325 0.2 . 1 . . . . . . . . 5875 1 2 . 1 1 1 1 MET HA H 1 4.1617 0.02 . 1 . . . . . . . . 5875 1 3 . 1 1 1 1 MET CB C 13 32.4489 0.2 . 1 . . . . . . . . 5875 1 4 . 1 1 1 1 MET HB3 H 1 2.2144 0.02 . 2 . . . . . . . . 5875 1 5 . 1 1 1 1 MET CG C 13 30.7102 0.2 . 1 . . . . . . . . 5875 1 6 . 1 1 1 1 MET HG3 H 1 2.1593 0.02 . 2 . . . . . . . . 5875 1 7 . 1 1 1 1 MET CE C 13 16.3500 0.2 . 1 . . . . . . . . 5875 1 8 . 1 1 1 1 MET HE1 H 1 2.1100 0.02 . 1 . . . . . . . . 5875 1 9 . 1 1 1 1 MET HE2 H 1 2.1100 0.02 . 1 . . . . . . . . 5875 1 10 . 1 1 1 1 MET HE3 H 1 2.1100 0.02 . 1 . . . . . . . . 5875 1 11 . 1 1 1 1 MET HB2 H 1 2.0680 0.02 . 2 . . . . . . . . 5875 1 12 . 1 1 1 1 MET HG2 H 1 2.4302 0.02 . 2 . . . . . . . . 5875 1 13 . 1 1 2 2 GLN H H 1 8.2137 0.02 . 1 . . . . . . . . 5875 1 14 . 1 1 2 2 GLN N N 15 122.4064 0.2 . 1 . . . . . . . . 5875 1 15 . 1 1 2 2 GLN CA C 13 55.8717 0.2 . 1 . . . . . . . . 5875 1 16 . 1 1 2 2 GLN HA H 1 4.8907 0.02 . 1 . . . . . . . . 5875 1 17 . 1 1 2 2 GLN CB C 13 30.4319 0.2 . 1 . . . . . . . . 5875 1 18 . 1 1 2 2 GLN HB3 H 1 1.9028 0.02 . 2 . . . . . . . . 5875 1 19 . 1 1 2 2 GLN CG C 13 34.9280 0.2 . 1 . . . . . . . . 5875 1 20 . 1 1 2 2 GLN HG3 H 1 2.1043 0.02 . 2 . . . . . . . . 5875 1 21 . 1 1 2 2 GLN NE2 N 15 111.6900 0.2 . 1 . . . . . . . . 5875 1 22 . 1 1 2 2 GLN HE21 H 1 6.8660 0.02 . 2 . . . . . . . . 5875 1 23 . 1 1 2 2 GLN HE22 H 1 7.8407 0.02 . 2 . . . . . . . . 5875 1 24 . 1 1 2 2 GLN HB2 H 1 1.9799 0.02 . 2 . . . . . . . . 5875 1 25 . 1 1 2 2 GLN HG2 H 1 2.3329 0.02 . 2 . . . . . . . . 5875 1 26 . 1 1 3 3 TYR H H 1 9.0682 0.02 . 1 . . . . . . . . 5875 1 27 . 1 1 3 3 TYR N N 15 123.7074 0.2 . 1 . . . . . . . . 5875 1 28 . 1 1 3 3 TYR CA C 13 57.6536 0.2 . 1 . . . . . . . . 5875 1 29 . 1 1 3 3 TYR HA H 1 5.1474 0.02 . 1 . . . . . . . . 5875 1 30 . 1 1 3 3 TYR CB C 13 42.0135 0.2 . 1 . . . . . . . . 5875 1 31 . 1 1 3 3 TYR HB3 H 1 2.6390 0.02 . 2 . . . . . . . . 5875 1 32 . 1 1 3 3 TYR HB2 H 1 3.0297 0.02 . 2 . . . . . . . . 5875 1 33 . 1 1 3 3 TYR CD1 C 13 133.5 0.2 . 1 . . . . . . . . 5875 1 34 . 1 1 3 3 TYR HD1 H 1 7.0200 0.02 . 1 . . . . . . . . 5875 1 35 . 1 1 3 3 TYR CE1 C 13 117.8 0.2 . 1 . . . . . . . . 5875 1 36 . 1 1 3 3 TYR HE1 H 1 6.8840 0.02 . 1 . . . . . . . . 5875 1 37 . 1 1 4 4 LYS H H 1 8.6725 0.02 . 1 . . . . . . . . 5875 1 38 . 1 1 4 4 LYS N N 15 122.1187 0.2 . 1 . . . . . . . . 5875 1 39 . 1 1 4 4 LYS CA C 13 54.7510 0.2 . 1 . . . . . . . . 5875 1 40 . 1 1 4 4 LYS HA H 1 5.3461 0.02 . 1 . . . . . . . . 5875 1 41 . 1 1 4 4 LYS CB C 13 35.3469 0.2 . 1 . . . . . . . . 5875 1 42 . 1 1 4 4 LYS CG C 13 25.4398 0.2 . 1 . . . . . . . . 5875 1 43 . 1 1 4 4 LYS HG3 H 1 1.5530 0.02 . 2 . . . . . . . . 5875 1 44 . 1 1 4 4 LYS CD C 13 29.0839 0.2 . 1 . . . . . . . . 5875 1 45 . 1 1 4 4 LYS CE C 13 41.8662 0.2 . 1 . . . . . . . . 5875 1 46 . 1 1 4 4 LYS HB2 H 1 1.9772 0.02 . 1 . . . . . . . . 5875 1 47 . 1 1 4 4 LYS HG2 H 1 1.4900 0.02 . 2 . . . . . . . . 5875 1 48 . 1 1 4 4 LYS HD2 H 1 1.6940 0.02 . 2 . . . . . . . . 5875 1 49 . 1 1 4 4 LYS HE2 H 1 2.9220 0.02 . 2 . . . . . . . . 5875 1 50 . 1 1 5 5 VAL H H 1 9.2710 0.02 . 1 . . . . . . . . 5875 1 51 . 1 1 5 5 VAL N N 15 123.9405 0.2 . 1 . . . . . . . . 5875 1 52 . 1 1 5 5 VAL CA C 13 61.1945 0.2 . 1 . . . . . . . . 5875 1 53 . 1 1 5 5 VAL HA H 1 4.9758 0.02 . 1 . . . . . . . . 5875 1 54 . 1 1 5 5 VAL CB C 13 32.9465 0.2 . 1 . . . . . . . . 5875 1 55 . 1 1 5 5 VAL HB H 1 2.0960 0.02 . 1 . . . . . . . . 5875 1 56 . 1 1 5 5 VAL CG1 C 13 20.6800 0.2 . 2 . . . . . . . . 5875 1 57 . 1 1 5 5 VAL HG11 H 1 0.8493 0.02 . 2 . . . . . . . . 5875 1 58 . 1 1 5 5 VAL HG12 H 1 0.8493 0.02 . 2 . . . . . . . . 5875 1 59 . 1 1 5 5 VAL HG13 H 1 0.8493 0.02 . 2 . . . . . . . . 5875 1 60 . 1 1 5 5 VAL CG2 C 13 21.4500 0.2 . 2 . . . . . . . . 5875 1 61 . 1 1 5 5 VAL HG21 H 1 0.4014 0.02 . 2 . . . . . . . . 5875 1 62 . 1 1 5 5 VAL HG22 H 1 0.4014 0.02 . 2 . . . . . . . . 5875 1 63 . 1 1 5 5 VAL HG23 H 1 0.4014 0.02 . 2 . . . . . . . . 5875 1 64 . 1 1 6 6 ILE H H 1 9.4648 0.02 . 1 . . . . . . . . 5875 1 65 . 1 1 6 6 ILE N N 15 128.6638 0.2 . 1 . . . . . . . . 5875 1 66 . 1 1 6 6 ILE CA C 13 60.4361 0.2 . 1 . . . . . . . . 5875 1 67 . 1 1 6 6 ILE HA H 1 4.4300 0.02 . 1 . . . . . . . . 5875 1 68 . 1 1 6 6 ILE CB C 13 38.3201 0.2 . 1 . . . . . . . . 5875 1 69 . 1 1 6 6 ILE HB H 1 2.1100 0.02 . 1 . . . . . . . . 5875 1 70 . 1 1 6 6 ILE CG2 C 13 17.3127 0.2 . 1 . . . . . . . . 5875 1 71 . 1 1 6 6 ILE HG21 H 1 0.9670 0.02 . 1 . . . . . . . . 5875 1 72 . 1 1 6 6 ILE HG22 H 1 0.9670 0.02 . 1 . . . . . . . . 5875 1 73 . 1 1 6 6 ILE HG23 H 1 0.9670 0.02 . 1 . . . . . . . . 5875 1 74 . 1 1 6 6 ILE CG1 C 13 27.6495 0.2 . 1 . . . . . . . . 5875 1 75 . 1 1 6 6 ILE HG13 H 1 1.3124 0.02 . 2 . . . . . . . . 5875 1 76 . 1 1 6 6 ILE CD1 C 13 12.3800 0.2 . 1 . . . . . . . . 5875 1 77 . 1 1 6 6 ILE HD11 H 1 0.8770 0.02 . 1 . . . . . . . . 5875 1 78 . 1 1 6 6 ILE HD12 H 1 0.8770 0.02 . 1 . . . . . . . . 5875 1 79 . 1 1 6 6 ILE HD13 H 1 0.8770 0.02 . 1 . . . . . . . . 5875 1 80 . 1 1 6 6 ILE HG12 H 1 1.5640 0.02 . 2 . . . . . . . . 5875 1 81 . 1 1 7 7 LEU H H 1 8.5222 0.02 . 1 . . . . . . . . 5875 1 82 . 1 1 7 7 LEU N N 15 126.0900 0.2 . 1 . . . . . . . . 5875 1 83 . 1 1 7 7 LEU CA C 13 53.7996 0.2 . 1 . . . . . . . . 5875 1 84 . 1 1 7 7 LEU HA H 1 4.7000 0.02 . 1 . . . . . . . . 5875 1 85 . 1 1 7 7 LEU CB C 13 40.6369 0.2 . 1 . . . . . . . . 5875 1 86 . 1 1 7 7 LEU HB2 H 1 1.4367 0.02 . 2 . . . . . . . . 5875 1 87 . 1 1 7 7 LEU HB3 H 1 1.0340 0.02 . 2 . . . . . . . . 5875 1 88 . 1 1 7 7 LEU CG C 13 27.6816 0.2 . 1 . . . . . . . . 5875 1 89 . 1 1 7 7 LEU CD1 C 13 25.1000 0.2 . 2 . . . . . . . . 5875 1 90 . 1 1 7 7 LEU HD11 H 1 0.7660 0.02 . 2 . . . . . . . . 5875 1 91 . 1 1 7 7 LEU HD12 H 1 0.7660 0.02 . 2 . . . . . . . . 5875 1 92 . 1 1 7 7 LEU HD13 H 1 0.7660 0.02 . 2 . . . . . . . . 5875 1 93 . 1 1 7 7 LEU CD2 C 13 24.4535 0.2 . 2 . . . . . . . . 5875 1 94 . 1 1 7 7 LEU HD21 H 1 0.7600 0.02 . 2 . . . . . . . . 5875 1 95 . 1 1 7 7 LEU HD22 H 1 0.7600 0.02 . 2 . . . . . . . . 5875 1 96 . 1 1 7 7 LEU HD23 H 1 0.7600 0.02 . 2 . . . . . . . . 5875 1 97 . 1 1 7 7 LEU HG H 1 1.5530 0.02 . 1 . . . . . . . . 5875 1 98 . 1 1 8 8 ASN H H 1 9.1020 0.02 . 1 . . . . . . . . 5875 1 99 . 1 1 8 8 ASN N N 15 124.7681 0.2 . 1 . . . . . . . . 5875 1 100 . 1 1 8 8 ASN CA C 13 51.8525 0.2 . 1 . . . . . . . . 5875 1 101 . 1 1 8 8 ASN HA H 1 5.2868 0.02 . 1 . . . . . . . . 5875 1 102 . 1 1 8 8 ASN CB C 13 39.3208 0.2 . 1 . . . . . . . . 5875 1 103 . 1 1 8 8 ASN HB2 H 1 2.9940 0.02 . 2 . . . . . . . . 5875 1 104 . 1 1 8 8 ASN HB3 H 1 2.5652 0.02 . 2 . . . . . . . . 5875 1 105 . 1 1 8 8 ASN ND2 N 15 111.2200 0.2 . 1 . . . . . . . . 5875 1 106 . 1 1 8 8 ASN HD21 H 1 6.8400 0.02 . 2 . . . . . . . . 5875 1 107 . 1 1 8 8 ASN HD22 H 1 7.3500 0.02 . 2 . . . . . . . . 5875 1 108 . 1 1 9 9 GLY H H 1 7.9571 0.02 . 1 . . . . . . . . 5875 1 109 . 1 1 9 9 GLY N N 15 108.8629 0.2 . 1 . . . . . . . . 5875 1 110 . 1 1 9 9 GLY CA C 13 44.7170 0.2 . 1 . . . . . . . . 5875 1 111 . 1 1 9 9 GLY HA3 H 1 3.8266 0.02 . 2 . . . . . . . . 5875 1 112 . 1 1 9 9 GLY HA2 H 1 4.8061 0.02 . 2 . . . . . . . . 5875 1 113 . 1 1 10 10 LYS H H 1 9.3120 0.02 . 1 . . . . . . . . 5875 1 114 . 1 1 10 10 LYS N N 15 120.6371 0.2 . 1 . . . . . . . . 5875 1 115 . 1 1 10 10 LYS CA C 13 59.3335 0.2 . 1 . . . . . . . . 5875 1 116 . 1 1 10 10 LYS HA H 1 4.1467 0.02 . 1 . . . . . . . . 5875 1 117 . 1 1 10 10 LYS CB C 13 32.6304 0.2 . 1 . . . . . . . . 5875 1 118 . 1 1 10 10 LYS CG C 13 25.5373 0.2 . 1 . . . . . . . . 5875 1 119 . 1 1 10 10 LYS HG3 H 1 1.5640 0.02 . 2 . . . . . . . . 5875 1 120 . 1 1 10 10 LYS CD C 13 29.0050 0.2 . 1 . . . . . . . . 5875 1 121 . 1 1 10 10 LYS CE C 13 42.1650 0.2 . 1 . . . . . . . . 5875 1 122 . 1 1 10 10 LYS HB2 H 1 1.8873 0.02 . 2 . . . . . . . . 5875 1 123 . 1 1 10 10 LYS HG2 H 1 1.5070 0.02 . 2 . . . . . . . . 5875 1 124 . 1 1 10 10 LYS HD2 H 1 1.7062 0.02 . 2 . . . . . . . . 5875 1 125 . 1 1 10 10 LYS HE2 H 1 3.0053 0.02 . 2 . . . . . . . . 5875 1 126 . 1 1 11 11 THR H H 1 8.9280 0.02 . 1 . . . . . . . . 5875 1 127 . 1 1 11 11 THR N N 15 108.1700 0.2 . 1 . . . . . . . . 5875 1 128 . 1 1 11 11 THR CA C 13 61.0945 0.2 . 1 . . . . . . . . 5875 1 129 . 1 1 11 11 THR HA H 1 4.4850 0.02 . 1 . . . . . . . . 5875 1 130 . 1 1 11 11 THR CB C 13 69.5289 0.2 . 1 . . . . . . . . 5875 1 131 . 1 1 11 11 THR HB H 1 4.4160 0.02 . 1 . . . . . . . . 5875 1 132 . 1 1 11 11 THR HG1 H 1 4.7850 0.02 . 1 . . . . . . . . 5875 1 133 . 1 1 11 11 THR CG2 C 13 22.2084 0.2 . 1 . . . . . . . . 5875 1 134 . 1 1 11 11 THR HG21 H 1 1.1731 0.02 . 1 . . . . . . . . 5875 1 135 . 1 1 11 11 THR HG22 H 1 1.1731 0.02 . 1 . . . . . . . . 5875 1 136 . 1 1 11 11 THR HG23 H 1 1.1731 0.02 . 1 . . . . . . . . 5875 1 137 . 1 1 12 12 LEU H H 1 7.0855 0.02 . 1 . . . . . . . . 5875 1 138 . 1 1 12 12 LEU N N 15 122.3313 0.2 . 1 . . . . . . . . 5875 1 139 . 1 1 12 12 LEU CA C 13 54.4617 0.2 . 1 . . . . . . . . 5875 1 140 . 1 1 12 12 LEU HA H 1 5.0068 0.02 . 1 . . . . . . . . 5875 1 141 . 1 1 12 12 LEU CB C 13 44.7693 0.2 . 1 . . . . . . . . 5875 1 142 . 1 1 12 12 LEU CG C 13 26.1302 0.2 . 1 . . . . . . . . 5875 1 143 . 1 1 12 12 LEU CD1 C 13 26.4967 0.2 . 2 . . . . . . . . 5875 1 144 . 1 1 12 12 LEU HD11 H 1 0.1310 0.02 . 2 . . . . . . . . 5875 1 145 . 1 1 12 12 LEU HD12 H 1 0.1310 0.02 . 2 . . . . . . . . 5875 1 146 . 1 1 12 12 LEU HD13 H 1 0.1310 0.02 . 2 . . . . . . . . 5875 1 147 . 1 1 12 12 LEU CD2 C 13 24.6300 0.2 . 2 . . . . . . . . 5875 1 148 . 1 1 12 12 LEU HD21 H 1 0.1190 0.02 . 2 . . . . . . . . 5875 1 149 . 1 1 12 12 LEU HD22 H 1 0.1190 0.02 . 2 . . . . . . . . 5875 1 150 . 1 1 12 12 LEU HD23 H 1 0.1190 0.02 . 2 . . . . . . . . 5875 1 151 . 1 1 12 12 LEU HG H 1 1.1600 0.02 . 1 . . . . . . . . 5875 1 152 . 1 1 12 12 LEU HB2 H 1 1.1500 0.02 . 1 . . . . . . . . 5875 1 153 . 1 1 13 13 LYS H H 1 8.2640 0.02 . 1 . . . . . . . . 5875 1 154 . 1 1 13 13 LYS N N 15 120.3738 0.2 . 1 . . . . . . . . 5875 1 155 . 1 1 13 13 LYS CA C 13 54.0333 0.2 . 1 . . . . . . . . 5875 1 156 . 1 1 13 13 LYS HA H 1 5.1176 0.02 . 1 . . . . . . . . 5875 1 157 . 1 1 13 13 LYS CB C 13 36.4188 0.2 . 1 . . . . . . . . 5875 1 158 . 1 1 13 13 LYS HB2 H 1 1.7814 0.02 . 2 . . . . . . . . 5875 1 159 . 1 1 13 13 LYS HB3 H 1 1.9250 0.02 . 2 . . . . . . . . 5875 1 160 . 1 1 13 13 LYS CG C 13 24.5222 0.2 . 1 . . . . . . . . 5875 1 161 . 1 1 13 13 LYS CD C 13 29.0987 0.2 . 1 . . . . . . . . 5875 1 162 . 1 1 13 13 LYS HD3 H 1 1.8360 0.02 . 1 . . . . . . . . 5875 1 163 . 1 1 13 13 LYS CE C 13 42.3544 0.2 . 1 . . . . . . . . 5875 1 164 . 1 1 13 13 LYS HE3 H 1 3.0330 0.02 . 2 . . . . . . . . 5875 1 165 . 1 1 13 13 LYS HG2 H 1 1.4454 0.02 . 2 . . . . . . . . 5875 1 166 . 1 1 13 13 LYS HD2 H 1 1.7290 0.02 . 1 . . . . . . . . 5875 1 167 . 1 1 13 13 LYS HE2 H 1 2.9340 0.02 . 2 . . . . . . . . 5875 1 168 . 1 1 14 14 GLY H H 1 8.6539 0.02 . 1 . . . . . . . . 5875 1 169 . 1 1 14 14 GLY N N 15 108.4520 0.2 . 1 . . . . . . . . 5875 1 170 . 1 1 14 14 GLY CA C 13 46.6008 0.2 . 1 . . . . . . . . 5875 1 171 . 1 1 14 14 GLY HA2 H 1 4.6004 0.02 . 2 . . . . . . . . 5875 1 172 . 1 1 15 15 GLU H H 1 8.5285 0.02 . 1 . . . . . . . . 5875 1 173 . 1 1 15 15 GLU N N 15 119.3863 0.2 . 1 . . . . . . . . 5875 1 174 . 1 1 15 15 GLU CA C 13 55.6912 0.2 . 1 . . . . . . . . 5875 1 175 . 1 1 15 15 GLU HA H 1 5.4956 0.02 . 1 . . . . . . . . 5875 1 176 . 1 1 15 15 GLU CB C 13 33.4709 0.2 . 1 . . . . . . . . 5875 1 177 . 1 1 15 15 GLU HB2 H 1 2.1396 0.02 . 2 . . . . . . . . 5875 1 178 . 1 1 15 15 GLU HB3 H 1 2.0859 0.02 . 2 . . . . . . . . 5875 1 179 . 1 1 15 15 GLU CG C 13 36.0648 0.2 . 1 . . . . . . . . 5875 1 180 . 1 1 15 15 GLU HG2 H 1 2.2520 0.02 . 2 . . . . . . . . 5875 1 181 . 1 1 16 16 THR H H 1 9.0531 0.02 . 1 . . . . . . . . 5875 1 182 . 1 1 16 16 THR N N 15 116.3954 0.2 . 1 . . . . . . . . 5875 1 183 . 1 1 16 16 THR CA C 13 60.6303 0.2 . 1 . . . . . . . . 5875 1 184 . 1 1 16 16 THR HA H 1 5.3919 0.02 . 1 . . . . . . . . 5875 1 185 . 1 1 16 16 THR CB C 13 72.3807 0.2 . 1 . . . . . . . . 5875 1 186 . 1 1 16 16 THR HB H 1 3.8790 0.02 . 1 . . . . . . . . 5875 1 187 . 1 1 16 16 THR HG1 H 1 2.6950 0.02 . 1 . . . . . . . . 5875 1 188 . 1 1 16 16 THR CG2 C 13 22.0305 0.2 . 1 . . . . . . . . 5875 1 189 . 1 1 16 16 THR HG21 H 1 0.9257 0.02 . 1 . . . . . . . . 5875 1 190 . 1 1 16 16 THR HG22 H 1 0.9257 0.02 . 1 . . . . . . . . 5875 1 191 . 1 1 16 16 THR HG23 H 1 0.9257 0.02 . 1 . . . . . . . . 5875 1 192 . 1 1 17 17 THR H H 1 9.2726 0.02 . 1 . . . . . . . . 5875 1 193 . 1 1 17 17 THR N N 15 115.6911 0.2 . 1 . . . . . . . . 5875 1 194 . 1 1 17 17 THR CA C 13 60.7031 0.2 . 1 . . . . . . . . 5875 1 195 . 1 1 17 17 THR HA H 1 5.4605 0.02 . 1 . . . . . . . . 5875 1 196 . 1 1 17 17 THR CB C 13 71.7139 0.2 . 1 . . . . . . . . 5875 1 197 . 1 1 17 17 THR HB H 1 4.0611 0.02 . 1 . . . . . . . . 5875 1 198 . 1 1 17 17 THR CG2 C 13 21.5865 0.2 . 1 . . . . . . . . 5875 1 199 . 1 1 17 17 THR HG21 H 1 1.1855 0.02 . 1 . . . . . . . . 5875 1 200 . 1 1 17 17 THR HG22 H 1 1.1855 0.02 . 1 . . . . . . . . 5875 1 201 . 1 1 17 17 THR HG23 H 1 1.1855 0.02 . 1 . . . . . . . . 5875 1 202 . 1 1 18 18 THR H H 1 8.8949 0.02 . 1 . . . . . . . . 5875 1 203 . 1 1 18 18 THR N N 15 117.5122 0.2 . 1 . . . . . . . . 5875 1 204 . 1 1 18 18 THR CA C 13 60.3163 0.2 . 1 . . . . . . . . 5875 1 205 . 1 1 18 18 THR HA H 1 5.0148 0.02 . 1 . . . . . . . . 5875 1 206 . 1 1 18 18 THR CB C 13 71.0378 0.2 . 1 . . . . . . . . 5875 1 207 . 1 1 18 18 THR HB H 1 3.7825 0.02 . 1 . . . . . . . . 5875 1 208 . 1 1 18 18 THR HG1 H 1 4.6220 0.02 . 1 . . . . . . . . 5875 1 209 . 1 1 18 18 THR CG2 C 13 19.0174 0.2 . 1 . . . . . . . . 5875 1 210 . 1 1 18 18 THR HG21 H 1 1.0071 0.02 . 1 . . . . . . . . 5875 1 211 . 1 1 18 18 THR HG22 H 1 1.0071 0.02 . 1 . . . . . . . . 5875 1 212 . 1 1 18 18 THR HG23 H 1 1.0071 0.02 . 1 . . . . . . . . 5875 1 213 . 1 1 19 19 GLU H H 1 7.9231 0.02 . 1 . . . . . . . . 5875 1 214 . 1 1 19 19 GLU N N 15 127.0458 0.2 . 1 . . . . . . . . 5875 1 215 . 1 1 19 19 GLU CA C 13 54.5657 0.2 . 1 . . . . . . . . 5875 1 216 . 1 1 19 19 GLU HA H 1 5.2654 0.02 . 1 . . . . . . . . 5875 1 217 . 1 1 19 19 GLU CB C 13 31.0611 0.2 . 1 . . . . . . . . 5875 1 218 . 1 1 19 19 GLU HB2 H 1 1.9360 0.02 . 2 . . . . . . . . 5875 1 219 . 1 1 19 19 GLU CG C 13 35.7593 0.2 . 1 . . . . . . . . 5875 1 220 . 1 1 19 19 GLU HG3 H 1 2.2650 0.02 . 2 . . . . . . . . 5875 1 221 . 1 1 19 19 GLU HG2 H 1 2.0610 0.02 . 2 . . . . . . . . 5875 1 222 . 1 1 20 20 ALA H H 1 9.3006 0.02 . 1 . . . . . . . . 5875 1 223 . 1 1 20 20 ALA N N 15 126.3437 0.2 . 1 . . . . . . . . 5875 1 224 . 1 1 20 20 ALA CA C 13 51.2749 0.2 . 1 . . . . . . . . 5875 1 225 . 1 1 20 20 ALA HA H 1 4.8700 0.02 . 1 . . . . . . . . 5875 1 226 . 1 1 20 20 ALA CB C 13 23.6474 0.2 . 1 . . . . . . . . 5875 1 227 . 1 1 20 20 ALA HB1 H 1 1.4660 0.02 . 1 . . . . . . . . 5875 1 228 . 1 1 20 20 ALA HB2 H 1 1.4660 0.02 . 1 . . . . . . . . 5875 1 229 . 1 1 20 20 ALA HB3 H 1 1.4660 0.02 . 1 . . . . . . . . 5875 1 230 . 1 1 21 21 VAL H H 1 8.4761 0.02 . 1 . . . . . . . . 5875 1 231 . 1 1 21 21 VAL N N 15 114.9366 0.2 . 1 . . . . . . . . 5875 1 232 . 1 1 21 21 VAL CA C 13 63.8046 0.2 . 1 . . . . . . . . 5875 1 233 . 1 1 21 21 VAL HA H 1 4.0986 0.02 . 1 . . . . . . . . 5875 1 234 . 1 1 21 21 VAL CB C 13 32.0450 0.2 . 1 . . . . . . . . 5875 1 235 . 1 1 21 21 VAL HB H 1 2.1950 0.02 . 1 . . . . . . . . 5875 1 236 . 1 1 21 21 VAL CG1 C 13 20.6600 0.2 . 2 . . . . . . . . 5875 1 237 . 1 1 21 21 VAL HG11 H 1 1.0200 0.02 . 2 . . . . . . . . 5875 1 238 . 1 1 21 21 VAL HG12 H 1 1.0200 0.02 . 2 . . . . . . . . 5875 1 239 . 1 1 21 21 VAL HG13 H 1 1.0200 0.02 . 2 . . . . . . . . 5875 1 240 . 1 1 21 21 VAL CG2 C 13 19.7100 0.2 . 2 . . . . . . . . 5875 1 241 . 1 1 21 21 VAL HG21 H 1 1.0060 0.02 . 2 . . . . . . . . 5875 1 242 . 1 1 21 21 VAL HG22 H 1 1.0060 0.02 . 2 . . . . . . . . 5875 1 243 . 1 1 21 21 VAL HG23 H 1 1.0060 0.02 . 2 . . . . . . . . 5875 1 244 . 1 1 22 22 ASP H H 1 7.3339 0.02 . 1 . . . . . . . . 5875 1 245 . 1 1 22 22 ASP N N 15 114.7224 0.2 . 1 . . . . . . . . 5875 1 246 . 1 1 22 22 ASP CA C 13 52.5220 0.2 . 1 . . . . . . . . 5875 1 247 . 1 1 22 22 ASP HA H 1 4.8046 0.02 . 1 . . . . . . . . 5875 1 248 . 1 1 22 22 ASP CB C 13 41.8333 0.2 . 1 . . . . . . . . 5875 1 249 . 1 1 22 22 ASP HB2 H 1 3.0087 0.02 . 2 . . . . . . . . 5875 1 250 . 1 1 23 23 ALA H H 1 8.1183 0.02 . 1 . . . . . . . . 5875 1 251 . 1 1 23 23 ALA N N 15 121.6519 0.2 . 1 . . . . . . . . 5875 1 252 . 1 1 23 23 ALA CA C 13 54.7281 0.2 . 1 . . . . . . . . 5875 1 253 . 1 1 23 23 ALA HA H 1 3.0370 0.02 . 1 . . . . . . . . 5875 1 254 . 1 1 23 23 ALA CB C 13 17.5438 0.2 . 1 . . . . . . . . 5875 1 255 . 1 1 23 23 ALA HB1 H 1 0.8980 0.02 . 1 . . . . . . . . 5875 1 256 . 1 1 23 23 ALA HB2 H 1 0.8980 0.02 . 1 . . . . . . . . 5875 1 257 . 1 1 23 23 ALA HB3 H 1 0.8980 0.02 . 1 . . . . . . . . 5875 1 258 . 1 1 24 24 ALA H H 1 8.1328 0.02 . 1 . . . . . . . . 5875 1 259 . 1 1 24 24 ALA N N 15 120.1690 0.2 . 1 . . . . . . . . 5875 1 260 . 1 1 24 24 ALA CA C 13 54.7899 0.2 . 1 . . . . . . . . 5875 1 261 . 1 1 24 24 ALA HA H 1 3.9910 0.02 . 1 . . . . . . . . 5875 1 262 . 1 1 24 24 ALA CB C 13 18.0378 0.2 . 1 . . . . . . . . 5875 1 263 . 1 1 24 24 ALA HB1 H 1 1.2810 0.02 . 1 . . . . . . . . 5875 1 264 . 1 1 24 24 ALA HB2 H 1 1.2810 0.02 . 1 . . . . . . . . 5875 1 265 . 1 1 24 24 ALA HB3 H 1 1.2810 0.02 . 1 . . . . . . . . 5875 1 266 . 1 1 25 25 THR H H 1 8.4462 0.02 . 1 . . . . . . . . 5875 1 267 . 1 1 25 25 THR N N 15 115.7892 0.2 . 1 . . . . . . . . 5875 1 268 . 1 1 25 25 THR CA C 13 67.0360 0.2 . 1 . . . . . . . . 5875 1 269 . 1 1 25 25 THR HA H 1 3.7059 0.02 . 1 . . . . . . . . 5875 1 270 . 1 1 25 25 THR CB C 13 67.7000 0.2 . 1 . . . . . . . . 5875 1 271 . 1 1 25 25 THR HB H 1 4.0240 0.02 . 1 . . . . . . . . 5875 1 272 . 1 1 25 25 THR CG2 C 13 21.5729 0.2 . 1 . . . . . . . . 5875 1 273 . 1 1 25 25 THR HG21 H 1 1.2758 0.02 . 1 . . . . . . . . 5875 1 274 . 1 1 25 25 THR HG22 H 1 1.2758 0.02 . 1 . . . . . . . . 5875 1 275 . 1 1 25 25 THR HG23 H 1 1.2758 0.02 . 1 . . . . . . . . 5875 1 276 . 1 1 26 26 ALA H H 1 7.6400 0.02 . 1 . . . . . . . . 5875 1 277 . 1 1 26 26 ALA N N 15 123.5422 0.2 . 1 . . . . . . . . 5875 1 278 . 1 1 26 26 ALA CA C 13 55.3100 0.2 . 1 . . . . . . . . 5875 1 279 . 1 1 26 26 ALA HA H 1 3.5900 0.02 . 1 . . . . . . . . 5875 1 280 . 1 1 26 26 ALA CB C 13 18.4377 0.2 . 1 . . . . . . . . 5875 1 281 . 1 1 26 26 ALA HB1 H 1 0.9550 0.02 . 1 . . . . . . . . 5875 1 282 . 1 1 26 26 ALA HB2 H 1 0.9550 0.02 . 1 . . . . . . . . 5875 1 283 . 1 1 26 26 ALA HB3 H 1 0.9550 0.02 . 1 . . . . . . . . 5875 1 284 . 1 1 27 27 GLU H H 1 7.6667 0.02 . 1 . . . . . . . . 5875 1 285 . 1 1 27 27 GLU N N 15 115.2124 0.2 . 1 . . . . . . . . 5875 1 286 . 1 1 27 27 GLU CA C 13 59.0941 0.2 . 1 . . . . . . . . 5875 1 287 . 1 1 27 27 GLU HA H 1 2.9529 0.02 . 1 . . . . . . . . 5875 1 288 . 1 1 27 27 GLU CB C 13 28.7118 0.2 . 1 . . . . . . . . 5875 1 289 . 1 1 27 27 GLU CG C 13 34.2000 0.2 . 1 . . . . . . . . 5875 1 290 . 1 1 27 27 GLU HG3 H 1 1.0970 0.02 . 2 . . . . . . . . 5875 1 291 . 1 1 27 27 GLU HB2 H 1 1.5870 0.02 . 2 . . . . . . . . 5875 1 292 . 1 1 27 27 GLU HG2 H 1 1.3155 0.02 . 2 . . . . . . . . 5875 1 293 . 1 1 28 28 LYS H H 1 7.1864 0.02 . 1 . . . . . . . . 5875 1 294 . 1 1 28 28 LYS N N 15 116.8282 0.2 . 1 . . . . . . . . 5875 1 295 . 1 1 28 28 LYS CA C 13 59.5916 0.2 . 1 . . . . . . . . 5875 1 296 . 1 1 28 28 LYS HA H 1 3.6453 0.02 . 1 . . . . . . . . 5875 1 297 . 1 1 28 28 LYS CB C 13 32.5466 0.2 . 1 . . . . . . . . 5875 1 298 . 1 1 28 28 LYS CG C 13 24.8569 0.2 . 1 . . . . . . . . 5875 1 299 . 1 1 28 28 LYS HG3 H 1 1.2890 0.02 . 2 . . . . . . . . 5875 1 300 . 1 1 28 28 LYS CD C 13 29.3618 0.2 . 1 . . . . . . . . 5875 1 301 . 1 1 28 28 LYS CE C 13 42.0126 0.2 . 1 . . . . . . . . 5875 1 302 . 1 1 28 28 LYS HB2 H 1 1.8295 0.02 . 2 . . . . . . . . 5875 1 303 . 1 1 28 28 LYS HG2 H 1 1.2833 0.02 . 2 . . . . . . . . 5875 1 304 . 1 1 28 28 LYS HD2 H 1 1.5810 0.02 . 2 . . . . . . . . 5875 1 305 . 1 1 28 28 LYS HE2 H 1 2.8686 0.02 . 2 . . . . . . . . 5875 1 306 . 1 1 29 29 VAL H H 1 8.4383 0.02 . 1 . . . . . . . . 5875 1 307 . 1 1 29 29 VAL N N 15 119.1251 0.2 . 1 . . . . . . . . 5875 1 308 . 1 1 29 29 VAL CA C 13 65.9955 0.2 . 1 . . . . . . . . 5875 1 309 . 1 1 29 29 VAL HA H 1 3.6640 0.02 . 1 . . . . . . . . 5875 1 310 . 1 1 29 29 VAL CB C 13 31.7429 0.2 . 1 . . . . . . . . 5875 1 311 . 1 1 29 29 VAL HB H 1 2.1099 0.02 . 1 . . . . . . . . 5875 1 312 . 1 1 29 29 VAL CG1 C 13 20.9500 0.2 . 2 . . . . . . . . 5875 1 313 . 1 1 29 29 VAL HG11 H 1 0.8770 0.02 . 2 . . . . . . . . 5875 1 314 . 1 1 29 29 VAL HG12 H 1 0.8770 0.02 . 2 . . . . . . . . 5875 1 315 . 1 1 29 29 VAL HG13 H 1 0.8770 0.02 . 2 . . . . . . . . 5875 1 316 . 1 1 29 29 VAL CG2 C 13 22.4800 0.2 . 2 . . . . . . . . 5875 1 317 . 1 1 29 29 VAL HG21 H 1 1.0480 0.02 . 2 . . . . . . . . 5875 1 318 . 1 1 29 29 VAL HG22 H 1 1.0480 0.02 . 2 . . . . . . . . 5875 1 319 . 1 1 29 29 VAL HG23 H 1 1.0480 0.02 . 2 . . . . . . . . 5875 1 320 . 1 1 30 30 VAL H H 1 7.9981 0.02 . 1 . . . . . . . . 5875 1 321 . 1 1 30 30 VAL N N 15 121.5242 0.2 . 1 . . . . . . . . 5875 1 322 . 1 1 30 30 VAL CA C 13 66.6542 0.2 . 1 . . . . . . . . 5875 1 323 . 1 1 30 30 VAL HA H 1 3.2967 0.02 . 1 . . . . . . . . 5875 1 324 . 1 1 30 30 VAL CB C 13 30.8499 0.2 . 1 . . . . . . . . 5875 1 325 . 1 1 30 30 VAL HB H 1 1.8570 0.02 . 1 . . . . . . . . 5875 1 326 . 1 1 30 30 VAL CG1 C 13 22.5420 0.2 . 2 . . . . . . . . 5875 1 327 . 1 1 30 30 VAL HG11 H 1 0.8400 0.02 . 2 . . . . . . . . 5875 1 328 . 1 1 30 30 VAL HG12 H 1 0.8400 0.02 . 2 . . . . . . . . 5875 1 329 . 1 1 30 30 VAL HG13 H 1 0.8400 0.02 . 2 . . . . . . . . 5875 1 330 . 1 1 30 30 VAL CG2 C 13 22.9800 0.2 . 2 . . . . . . . . 5875 1 331 . 1 1 30 30 VAL HG21 H 1 0.4200 0.02 . 2 . . . . . . . . 5875 1 332 . 1 1 30 30 VAL HG22 H 1 0.4200 0.02 . 2 . . . . . . . . 5875 1 333 . 1 1 30 30 VAL HG23 H 1 0.4200 0.02 . 2 . . . . . . . . 5875 1 334 . 1 1 31 31 LYS H H 1 8.1288 0.02 . 1 . . . . . . . . 5875 1 335 . 1 1 31 31 LYS N N 15 118.5449 0.2 . 1 . . . . . . . . 5875 1 336 . 1 1 31 31 LYS CA C 13 61.7460 0.2 . 1 . . . . . . . . 5875 1 337 . 1 1 31 31 LYS HA H 1 3.6676 0.02 . 1 . . . . . . . . 5875 1 338 . 1 1 31 31 LYS CB C 13 32.5930 0.2 . 1 . . . . . . . . 5875 1 339 . 1 1 31 31 LYS CG C 13 28.2400 0.2 . 1 . . . . . . . . 5875 1 340 . 1 1 31 31 LYS HG3 H 1 0.9380 0.02 . 2 . . . . . . . . 5875 1 341 . 1 1 31 31 LYS CD C 13 29.8400 0.2 . 1 . . . . . . . . 5875 1 342 . 1 1 31 31 LYS HD3 H 1 1.1710 0.02 . 2 . . . . . . . . 5875 1 343 . 1 1 31 31 LYS CE C 13 41.1221 0.2 . 1 . . . . . . . . 5875 1 344 . 1 1 31 31 LYS HE3 H 1 1.8470 0.02 . 2 . . . . . . . . 5875 1 345 . 1 1 31 31 LYS HB2 H 1 1.5860 0.02 . 2 . . . . . . . . 5875 1 346 . 1 1 31 31 LYS HG2 H 1 0.9760 0.02 . 2 . . . . . . . . 5875 1 347 . 1 1 31 31 LYS HD2 H 1 0.9600 0.02 . 2 . . . . . . . . 5875 1 348 . 1 1 31 31 LYS HE2 H 1 1.1650 0.02 . 2 . . . . . . . . 5875 1 349 . 1 1 32 32 GLN H H 1 8.0803 0.02 . 1 . . . . . . . . 5875 1 350 . 1 1 32 32 GLN N N 15 117.8373 0.2 . 1 . . . . . . . . 5875 1 351 . 1 1 32 32 GLN CA C 13 58.7702 0.2 . 1 . . . . . . . . 5875 1 352 . 1 1 32 32 GLN HA H 1 3.9033 0.02 . 1 . . . . . . . . 5875 1 353 . 1 1 32 32 GLN CB C 13 28.1442 0.2 . 1 . . . . . . . . 5875 1 354 . 1 1 32 32 GLN HB3 H 1 2.0943 0.02 . 2 . . . . . . . . 5875 1 355 . 1 1 32 32 GLN CG C 13 33.4732 0.2 . 1 . . . . . . . . 5875 1 356 . 1 1 32 32 GLN HG3 H 1 2.3540 0.02 . 2 . . . . . . . . 5875 1 357 . 1 1 32 32 GLN NE2 N 15 114.2990 0.2 . 1 . . . . . . . . 5875 1 358 . 1 1 32 32 GLN HE21 H 1 6.8350 0.02 . 2 . . . . . . . . 5875 1 359 . 1 1 32 32 GLN HE22 H 1 7.9730 0.02 . 2 . . . . . . . . 5875 1 360 . 1 1 32 32 GLN HB2 H 1 2.1710 0.02 . 2 . . . . . . . . 5875 1 361 . 1 1 32 32 GLN HG2 H 1 2.4500 0.02 . 2 . . . . . . . . 5875 1 362 . 1 1 33 33 PHE H H 1 7.8383 0.02 . 1 . . . . . . . . 5875 1 363 . 1 1 33 33 PHE N N 15 120.4218 0.2 . 1 . . . . . . . . 5875 1 364 . 1 1 33 33 PHE CA C 13 61.3986 0.2 . 1 . . . . . . . . 5875 1 365 . 1 1 33 33 PHE HA H 1 4.2700 0.02 . 1 . . . . . . . . 5875 1 366 . 1 1 33 33 PHE CB C 13 39.0248 0.2 . 1 . . . . . . . . 5875 1 367 . 1 1 33 33 PHE HB2 H 1 3.1770 0.02 . 2 . . . . . . . . 5875 1 368 . 1 1 33 33 PHE HB3 H 1 3.0360 0.02 . 2 . . . . . . . . 5875 1 369 . 1 1 33 33 PHE CD1 C 13 132.56 0.2 . 2 . . . . . . . . 5875 1 370 . 1 1 33 33 PHE CE1 C 13 130.64 0.2 . 2 . . . . . . . . 5875 1 371 . 1 1 33 33 PHE CZ C 13 128.85 0.2 . 1 . . . . . . . . 5875 1 372 . 1 1 33 33 PHE HZ H 1 6.8727 0.02 . 1 . . . . . . . . 5875 1 373 . 1 1 33 33 PHE HD1 H 1 6.9770 0.02 . 1 . . . . . . . . 5875 1 374 . 1 1 33 33 PHE HE1 H 1 6.9570 0.2 . 1 . . . . . . . . 5875 1 375 . 1 1 34 34 PHE H H 1 8.6363 0.02 . 1 . . . . . . . . 5875 1 376 . 1 1 34 34 PHE N N 15 119.8191 0.2 . 1 . . . . . . . . 5875 1 377 . 1 1 34 34 PHE CA C 13 58.1859 0.2 . 1 . . . . . . . . 5875 1 378 . 1 1 34 34 PHE HA H 1 3.9650 0.02 . 1 . . . . . . . . 5875 1 379 . 1 1 34 34 PHE CB C 13 36.6219 0.2 . 1 . . . . . . . . 5875 1 380 . 1 1 34 34 PHE HB2 H 1 3.4160 0.02 . 2 . . . . . . . . 5875 1 381 . 1 1 34 34 PHE HB3 H 1 3.4600 0.02 . 2 . . . . . . . . 5875 1 382 . 1 1 34 34 PHE HZ H 1 6.8700 0.02 . 1 . . . . . . . . 5875 1 383 . 1 1 34 34 PHE CD1 C 13 129.4 0.2 . 1 . . . . . . . . 5875 1 384 . 1 1 34 34 PHE HD1 H 1 6.8400 0.02 . 1 . . . . . . . . 5875 1 385 . 1 1 34 34 PHE HE1 H 1 6.9100 0.2 . 1 . . . . . . . . 5875 1 386 . 1 1 35 35 ASN H H 1 8.3303 0.02 . 1 . . . . . . . . 5875 1 387 . 1 1 35 35 ASN N N 15 116.4094 0.2 . 1 . . . . . . . . 5875 1 388 . 1 1 35 35 ASN CA C 13 56.7730 0.2 . 1 . . . . . . . . 5875 1 389 . 1 1 35 35 ASN HA H 1 4.4330 0.02 . 1 . . . . . . . . 5875 1 390 . 1 1 35 35 ASN CB C 13 39.8472 0.2 . 1 . . . . . . . . 5875 1 391 . 1 1 35 35 ASN HB2 H 1 2.7640 0.02 . 2 . . . . . . . . 5875 1 392 . 1 1 35 35 ASN HB3 H 1 2.8640 0.02 . 2 . . . . . . . . 5875 1 393 . 1 1 35 35 ASN ND2 N 15 113.1780 0.2 . 1 . . . . . . . . 5875 1 394 . 1 1 35 35 ASN HD21 H 1 7.5640 0.02 . 2 . . . . . . . . 5875 1 395 . 1 1 35 35 ASN HD22 H 1 6.8540 0.02 . 2 . . . . . . . . 5875 1 396 . 1 1 36 36 ASP H H 1 8.7485 0.02 . 1 . . . . . . . . 5875 1 397 . 1 1 36 36 ASP N N 15 117.7265 0.2 . 1 . . . . . . . . 5875 1 398 . 1 1 36 36 ASP CA C 13 56.4910 0.2 . 1 . . . . . . . . 5875 1 399 . 1 1 36 36 ASP HA H 1 4.4288 0.02 . 1 . . . . . . . . 5875 1 400 . 1 1 36 36 ASP CB C 13 40.4741 0.2 . 1 . . . . . . . . 5875 1 401 . 1 1 36 36 ASP HB2 H 1 2.6208 0.02 . 2 . . . . . . . . 5875 1 402 . 1 1 37 37 ASN H H 1 7.7200 0.02 . 1 . . . . . . . . 5875 1 403 . 1 1 37 37 ASN N N 15 114.1840 0.2 . 1 . . . . . . . . 5875 1 404 . 1 1 37 37 ASN CA C 13 54.5283 0.2 . 1 . . . . . . . . 5875 1 405 . 1 1 37 37 ASN HA H 1 4.7864 0.02 . 1 . . . . . . . . 5875 1 406 . 1 1 37 37 ASN CB C 13 39.5700 0.2 . 1 . . . . . . . . 5875 1 407 . 1 1 37 37 ASN HB2 H 1 2.4430 0.02 . 2 . . . . . . . . 5875 1 408 . 1 1 37 37 ASN HB3 H 1 1.7480 0.02 . 2 . . . . . . . . 5875 1 409 . 1 1 37 37 ASN ND2 N 15 114.0000 0.2 . 1 . . . . . . . . 5875 1 410 . 1 1 37 37 ASN HD21 H 1 6.3600 0.02 . 2 . . . . . . . . 5875 1 411 . 1 1 37 37 ASN HD22 H 1 6.7340 0.02 . 2 . . . . . . . . 5875 1 412 . 1 1 38 38 GLY H H 1 7.9550 0.02 . 1 . . . . . . . . 5875 1 413 . 1 1 38 38 GLY N N 15 106.7370 0.2 . 1 . . . . . . . . 5875 1 414 . 1 1 38 38 GLY CA C 13 46.5288 0.2 . 1 . . . . . . . . 5875 1 415 . 1 1 38 38 GLY HA3 H 1 3.9612 0.02 . 2 . . . . . . . . 5875 1 416 . 1 1 38 38 GLY HA2 H 1 4.1740 0.02 . 2 . . . . . . . . 5875 1 417 . 1 1 39 39 VAL H H 1 7.8180 0.02 . 1 . . . . . . . . 5875 1 418 . 1 1 39 39 VAL N N 15 118.4043 0.2 . 1 . . . . . . . . 5875 1 419 . 1 1 39 39 VAL CA C 13 64.2326 0.2 . 1 . . . . . . . . 5875 1 420 . 1 1 39 39 VAL HA H 1 3.9290 0.02 . 1 . . . . . . . . 5875 1 421 . 1 1 39 39 VAL CB C 13 32.5607 0.2 . 1 . . . . . . . . 5875 1 422 . 1 1 39 39 VAL HB H 1 2.2008 0.02 . 1 . . . . . . . . 5875 1 423 . 1 1 39 39 VAL CG1 C 13 21.3200 0.2 . 2 . . . . . . . . 5875 1 424 . 1 1 39 39 VAL HG11 H 1 0.9380 0.02 . 2 . . . . . . . . 5875 1 425 . 1 1 39 39 VAL HG12 H 1 0.9380 0.02 . 2 . . . . . . . . 5875 1 426 . 1 1 39 39 VAL HG13 H 1 0.9380 0.02 . 2 . . . . . . . . 5875 1 427 . 1 1 39 39 VAL CG2 C 13 20.9400 0.2 . 2 . . . . . . . . 5875 1 428 . 1 1 39 39 VAL HG21 H 1 1.0140 0.02 . 2 . . . . . . . . 5875 1 429 . 1 1 39 39 VAL HG22 H 1 1.0140 0.02 . 2 . . . . . . . . 5875 1 430 . 1 1 39 39 VAL HG23 H 1 1.0140 0.02 . 2 . . . . . . . . 5875 1 431 . 1 1 40 40 ASP H H 1 8.0676 0.02 . 1 . . . . . . . . 5875 1 432 . 1 1 40 40 ASP N N 15 118.5166 0.2 . 1 . . . . . . . . 5875 1 433 . 1 1 40 40 ASP CA C 13 54.6088 0.2 . 1 . . . . . . . . 5875 1 434 . 1 1 40 40 ASP HA H 1 4.6761 0.02 . 1 . . . . . . . . 5875 1 435 . 1 1 40 40 ASP CB C 13 41.0099 0.2 . 1 . . . . . . . . 5875 1 436 . 1 1 40 40 ASP HB2 H 1 2.8064 0.02 . 2 . . . . . . . . 5875 1 437 . 1 1 40 40 ASP HB3 H 1 2.6075 0.02 . 2 . . . . . . . . 5875 1 438 . 1 1 41 41 GLY H H 1 7.6131 0.02 . 1 . . . . . . . . 5875 1 439 . 1 1 41 41 GLY N N 15 107.0975 0.2 . 1 . . . . . . . . 5875 1 440 . 1 1 41 41 GLY CA C 13 45.0060 0.2 . 1 . . . . . . . . 5875 1 441 . 1 1 41 41 GLY HA3 H 1 4.1390 0.02 . 2 . . . . . . . . 5875 1 442 . 1 1 41 41 GLY HA2 H 1 4.0530 0.02 . 2 . . . . . . . . 5875 1 443 . 1 1 42 42 GLU H H 1 8.7412 0.02 . 1 . . . . . . . . 5875 1 444 . 1 1 42 42 GLU N N 15 122.1924 0.2 . 1 . . . . . . . . 5875 1 445 . 1 1 42 42 GLU CA C 13 55.6336 0.2 . 1 . . . . . . . . 5875 1 446 . 1 1 42 42 GLU HA H 1 4.5663 0.02 . 1 . . . . . . . . 5875 1 447 . 1 1 42 42 GLU CB C 13 29.8783 0.2 . 1 . . . . . . . . 5875 1 448 . 1 1 42 42 GLU HB2 H 1 2.1480 0.02 . 2 . . . . . . . . 5875 1 449 . 1 1 42 42 GLU HB3 H 1 2.0030 0.02 . 2 . . . . . . . . 5875 1 450 . 1 1 42 42 GLU CG C 13 35.7186 0.2 . 1 . . . . . . . . 5875 1 451 . 1 1 42 42 GLU HG3 H 1 2.2360 0.02 . 2 . . . . . . . . 5875 1 452 . 1 1 42 42 GLU HG2 H 1 2.3270 0.02 . 2 . . . . . . . . 5875 1 453 . 1 1 43 43 TRP H H 1 8.8487 0.02 . 1 . . . . . . . . 5875 1 454 . 1 1 43 43 TRP N N 15 127.7410 0.2 . 1 . . . . . . . . 5875 1 455 . 1 1 43 43 TRP CA C 13 55.5955 0.2 . 1 . . . . . . . . 5875 1 456 . 1 1 43 43 TRP HA H 1 5.2975 0.02 . 1 . . . . . . . . 5875 1 457 . 1 1 43 43 TRP CB C 13 30.5899 0.2 . 1 . . . . . . . . 5875 1 458 . 1 1 43 43 TRP HB2 H 1 3.2525 0.02 . 2 . . . . . . . . 5875 1 459 . 1 1 43 43 TRP HD1 H 1 7.1120 0.02 . 1 . . . . . . . . 5875 1 460 . 1 1 43 43 TRP NE1 N 15 128.0000 0.2 . 1 . . . . . . . . 5875 1 461 . 1 1 43 43 TRP HE1 H 1 10.1100 0.02 . 1 . . . . . . . . 5875 1 462 . 1 1 43 43 TRP HE3 H 1 7.0210 0.02 . 1 . . . . . . . . 5875 1 463 . 1 1 43 43 TRP HZ2 H 1 7.2980 0.02 . 1 . . . . . . . . 5875 1 464 . 1 1 43 43 TRP HZ3 H 1 6.0610 0.02 . 1 . . . . . . . . 5875 1 465 . 1 1 43 43 TRP HH2 H 1 6.5010 0.02 . 1 . . . . . . . . 5875 1 466 . 1 1 44 44 THR H H 1 8.8459 0.02 . 1 . . . . . . . . 5875 1 467 . 1 1 44 44 THR N N 15 116.6020 0.2 . 1 . . . . . . . . 5875 1 468 . 1 1 44 44 THR CA C 13 62.0905 0.2 . 1 . . . . . . . . 5875 1 469 . 1 1 44 44 THR HA H 1 4.7181 0.02 . 1 . . . . . . . . 5875 1 470 . 1 1 44 44 THR CB C 13 70.5025 0.2 . 1 . . . . . . . . 5875 1 471 . 1 1 44 44 THR HB H 1 4.3009 0.02 . 1 . . . . . . . . 5875 1 472 . 1 1 44 44 THR CG2 C 13 22.0369 0.2 . 1 . . . . . . . . 5875 1 473 . 1 1 44 44 THR HG21 H 1 1.3086 0.02 . 1 . . . . . . . . 5875 1 474 . 1 1 44 44 THR HG22 H 1 1.3086 0.02 . 1 . . . . . . . . 5875 1 475 . 1 1 44 44 THR HG23 H 1 1.3086 0.02 . 1 . . . . . . . . 5875 1 476 . 1 1 45 45 TYR H H 1 8.8528 0.02 . 1 . . . . . . . . 5875 1 477 . 1 1 45 45 TYR N N 15 124.0573 0.2 . 1 . . . . . . . . 5875 1 478 . 1 1 45 45 TYR CA C 13 57.1610 0.2 . 1 . . . . . . . . 5875 1 479 . 1 1 45 45 TYR HA H 1 4.9420 0.02 . 1 . . . . . . . . 5875 1 480 . 1 1 45 45 TYR CB C 13 41.7920 0.2 . 1 . . . . . . . . 5875 1 481 . 1 1 45 45 TYR HB2 H 1 2.9913 0.02 . 2 . . . . . . . . 5875 1 482 . 1 1 45 45 TYR HB3 H 1 2.6108 0.02 . 2 . . . . . . . . 5875 1 483 . 1 1 45 45 TYR CE1 C 13 117.45 0.2 . 1 . . . . . . . . 5875 1 484 . 1 1 45 45 TYR HD1 H 1 6.3100 0.02 . 1 . . . . . . . . 5875 1 485 . 1 1 46 46 ASP H H 1 7.6426 0.02 . 1 . . . . . . . . 5875 1 486 . 1 1 46 46 ASP N N 15 128.2256 0.2 . 1 . . . . . . . . 5875 1 487 . 1 1 46 46 ASP CA C 13 51.9086 0.2 . 1 . . . . . . . . 5875 1 488 . 1 1 46 46 ASP HA H 1 4.5859 0.02 . 1 . . . . . . . . 5875 1 489 . 1 1 46 46 ASP CB C 13 43.0939 0.2 . 1 . . . . . . . . 5875 1 490 . 1 1 46 46 ASP HB2 H 1 2.6198 0.02 . 2 . . . . . . . . 5875 1 491 . 1 1 46 46 ASP HB3 H 1 2.2655 0.02 . 2 . . . . . . . . 5875 1 492 . 1 1 47 47 ASP H H 1 8.5817 0.02 . 1 . . . . . . . . 5875 1 493 . 1 1 47 47 ASP N N 15 124.6094 0.2 . 1 . . . . . . . . 5875 1 494 . 1 1 47 47 ASP CA C 13 56.3057 0.2 . 1 . . . . . . . . 5875 1 495 . 1 1 47 47 ASP HA H 1 4.1500 0.02 . 1 . . . . . . . . 5875 1 496 . 1 1 47 47 ASP CB C 13 42.1665 0.2 . 1 . . . . . . . . 5875 1 497 . 1 1 47 47 ASP HB2 H 1 2.8403 0.02 . 2 . . . . . . . . 5875 1 498 . 1 1 47 47 ASP HB3 H 1 2.5303 0.02 . 2 . . . . . . . . 5875 1 499 . 1 1 48 48 ALA H H 1 8.3268 0.02 . 1 . . . . . . . . 5875 1 500 . 1 1 48 48 ALA N N 15 119.5493 0.2 . 1 . . . . . . . . 5875 1 501 . 1 1 48 48 ALA CA C 13 55.0867 0.2 . 1 . . . . . . . . 5875 1 502 . 1 1 48 48 ALA HA H 1 4.1100 0.02 . 1 . . . . . . . . 5875 1 503 . 1 1 48 48 ALA CB C 13 18.4487 0.2 . 1 . . . . . . . . 5875 1 504 . 1 1 48 48 ALA HB1 H 1 1.5020 0.02 . 1 . . . . . . . . 5875 1 505 . 1 1 48 48 ALA HB2 H 1 1.5020 0.02 . 1 . . . . . . . . 5875 1 506 . 1 1 48 48 ALA HB3 H 1 1.5020 0.02 . 1 . . . . . . . . 5875 1 507 . 1 1 49 49 THR H H 1 7.0003 0.02 . 1 . . . . . . . . 5875 1 508 . 1 1 49 49 THR N N 15 102.8466 0.2 . 1 . . . . . . . . 5875 1 509 . 1 1 49 49 THR CA C 13 60.4545 0.2 . 1 . . . . . . . . 5875 1 510 . 1 1 49 49 THR HA H 1 4.3981 0.02 . 1 . . . . . . . . 5875 1 511 . 1 1 49 49 THR CB C 13 70.0770 0.2 . 1 . . . . . . . . 5875 1 512 . 1 1 49 49 THR HB H 1 4.4120 0.02 . 1 . . . . . . . . 5875 1 513 . 1 1 49 49 THR CG2 C 13 21.3263 0.2 . 1 . . . . . . . . 5875 1 514 . 1 1 49 49 THR HG21 H 1 1.0825 0.02 . 1 . . . . . . . . 5875 1 515 . 1 1 49 49 THR HG22 H 1 1.0825 0.02 . 1 . . . . . . . . 5875 1 516 . 1 1 49 49 THR HG23 H 1 1.0825 0.02 . 1 . . . . . . . . 5875 1 517 . 1 1 50 50 LYS H H 1 7.8543 0.02 . 1 . . . . . . . . 5875 1 518 . 1 1 50 50 LYS N N 15 123.3235 0.2 . 1 . . . . . . . . 5875 1 519 . 1 1 50 50 LYS CA C 13 56.4800 0.2 . 1 . . . . . . . . 5875 1 520 . 1 1 50 50 LYS HA H 1 4.1970 0.02 . 1 . . . . . . . . 5875 1 521 . 1 1 50 50 LYS CB C 13 29.1832 0.2 . 1 . . . . . . . . 5875 1 522 . 1 1 50 50 LYS HB2 H 1 1.9910 0.02 . 2 . . . . . . . . 5875 1 523 . 1 1 50 50 LYS HB3 H 1 2.0850 0.02 . 2 . . . . . . . . 5875 1 524 . 1 1 50 50 LYS CG C 13 24.5176 0.2 . 1 . . . . . . . . 5875 1 525 . 1 1 50 50 LYS HG3 H 1 1.2800 0.02 . 2 . . . . . . . . 5875 1 526 . 1 1 50 50 LYS CD C 13 28.6700 0.2 . 1 . . . . . . . . 5875 1 527 . 1 1 50 50 LYS HD3 H 1 1.4700 0.02 . 2 . . . . . . . . 5875 1 528 . 1 1 50 50 LYS CE C 13 42.8700 0.2 . 1 . . . . . . . . 5875 1 529 . 1 1 50 50 LYS HE3 H 1 3.1100 0.02 . 2 . . . . . . . . 5875 1 530 . 1 1 50 50 LYS HG2 H 1 1.4270 0.02 . 2 . . . . . . . . 5875 1 531 . 1 1 50 50 LYS HD2 H 1 1.7800 0.02 . 2 . . . . . . . . 5875 1 532 . 1 1 50 50 LYS HE2 H 1 2.9800 0.02 . 2 . . . . . . . . 5875 1 533 . 1 1 51 51 THR H H 1 7.3062 0.02 . 1 . . . . . . . . 5875 1 534 . 1 1 51 51 THR N N 15 110.6459 0.2 . 1 . . . . . . . . 5875 1 535 . 1 1 51 51 THR CA C 13 61.8523 0.2 . 1 . . . . . . . . 5875 1 536 . 1 1 51 51 THR HA H 1 5.6016 0.02 . 1 . . . . . . . . 5875 1 537 . 1 1 51 51 THR CB C 13 72.5259 0.2 . 1 . . . . . . . . 5875 1 538 . 1 1 51 51 THR HB H 1 3.7957 0.02 . 1 . . . . . . . . 5875 1 539 . 1 1 51 51 THR HG1 H 1 4.4210 0.02 . 1 . . . . . . . . 5875 1 540 . 1 1 51 51 THR CG2 C 13 21.2009 0.2 . 1 . . . . . . . . 5875 1 541 . 1 1 51 51 THR HG21 H 1 1.0698 0.02 . 1 . . . . . . . . 5875 1 542 . 1 1 51 51 THR HG22 H 1 1.0698 0.02 . 1 . . . . . . . . 5875 1 543 . 1 1 51 51 THR HG23 H 1 1.0698 0.02 . 1 . . . . . . . . 5875 1 544 . 1 1 52 52 PHE H H 1 10.2436 0.02 . 1 . . . . . . . . 5875 1 545 . 1 1 52 52 PHE N N 15 129.0896 0.2 . 1 . . . . . . . . 5875 1 546 . 1 1 52 52 PHE CA C 13 56.8768 0.2 . 1 . . . . . . . . 5875 1 547 . 1 1 52 52 PHE HA H 1 5.9130 0.02 . 1 . . . . . . . . 5875 1 548 . 1 1 52 52 PHE CB C 13 43.0099 0.2 . 1 . . . . . . . . 5875 1 549 . 1 1 52 52 PHE HB2 H 1 3.1700 0.02 . 2 . . . . . . . . 5875 1 550 . 1 1 52 52 PHE HB3 H 1 3.2400 0.02 . 2 . . . . . . . . 5875 1 551 . 1 1 52 52 PHE HZ H 1 7.0000 0.02 . 1 . . . . . . . . 5875 1 552 . 1 1 52 52 PHE CD1 C 13 132.4 0.2 . 1 . . . . . . . . 5875 1 553 . 1 1 52 52 PHE HD1 H 1 7.5300 0.02 . 1 . . . . . . . . 5875 1 554 . 1 1 52 52 PHE CE1 C 13 131.4 0.2 . 1 . . . . . . . . 5875 1 555 . 1 1 52 52 PHE HE1 H 1 7.0600 0.2 . 1 . . . . . . . . 5875 1 556 . 1 1 53 53 THR H H 1 9.1022 0.02 . 1 . . . . . . . . 5875 1 557 . 1 1 53 53 THR N N 15 117.0785 0.2 . 1 . . . . . . . . 5875 1 558 . 1 1 53 53 THR CA C 13 62.6793 0.2 . 1 . . . . . . . . 5875 1 559 . 1 1 53 53 THR HA H 1 4.9828 0.02 . 1 . . . . . . . . 5875 1 560 . 1 1 53 53 THR CB C 13 70.3964 0.2 . 1 . . . . . . . . 5875 1 561 . 1 1 53 53 THR HB H 1 3.8709 0.02 . 1 . . . . . . . . 5875 1 562 . 1 1 53 53 THR CG2 C 13 21.2014 0.2 . 1 . . . . . . . . 5875 1 563 . 1 1 53 53 THR HG21 H 1 1.0949 0.02 . 1 . . . . . . . . 5875 1 564 . 1 1 53 53 THR HG22 H 1 1.0949 0.02 . 1 . . . . . . . . 5875 1 565 . 1 1 53 53 THR HG23 H 1 1.0949 0.02 . 1 . . . . . . . . 5875 1 566 . 1 1 54 54 VAL H H 1 8.8604 0.02 . 1 . . . . . . . . 5875 1 567 . 1 1 54 54 VAL N N 15 128.8547 0.2 . 1 . . . . . . . . 5875 1 568 . 1 1 54 54 VAL CA C 13 61.0400 0.2 . 1 . . . . . . . . 5875 1 569 . 1 1 54 54 VAL HA H 1 4.1887 0.02 . 1 . . . . . . . . 5875 1 570 . 1 1 54 54 VAL CB C 13 32.5379 0.2 . 1 . . . . . . . . 5875 1 571 . 1 1 54 54 VAL HB H 1 1.7200 0.02 . 1 . . . . . . . . 5875 1 572 . 1 1 54 54 VAL CG1 C 13 21.2558 0.2 . 2 . . . . . . . . 5875 1 573 . 1 1 54 54 VAL HG11 H 1 0.5310 0.02 . 2 . . . . . . . . 5875 1 574 . 1 1 54 54 VAL HG12 H 1 0.5310 0.02 . 2 . . . . . . . . 5875 1 575 . 1 1 54 54 VAL HG13 H 1 0.5310 0.02 . 2 . . . . . . . . 5875 1 576 . 1 1 54 54 VAL CG2 C 13 18.5310 0.2 . 2 . . . . . . . . 5875 1 577 . 1 1 54 54 VAL HG21 H 1 -0.5566 0.02 . 2 . . . . . . . . 5875 1 578 . 1 1 54 54 VAL HG22 H 1 -0.5566 0.02 . 2 . . . . . . . . 5875 1 579 . 1 1 54 54 VAL HG23 H 1 -0.5566 0.02 . 2 . . . . . . . . 5875 1 580 . 1 1 55 55 THR H H 1 8.4126 0.02 . 1 . . . . . . . . 5875 1 581 . 1 1 55 55 THR N N 15 122.1127 0.2 . 1 . . . . . . . . 5875 1 582 . 1 1 55 55 THR CA C 13 60.9894 0.2 . 1 . . . . . . . . 5875 1 583 . 1 1 55 55 THR HA H 1 5.0876 0.02 . 1 . . . . . . . . 5875 1 584 . 1 1 55 55 THR CB C 13 70.8313 0.2 . 1 . . . . . . . . 5875 1 585 . 1 1 55 55 THR HB H 1 4.0900 0.02 . 1 . . . . . . . . 5875 1 586 . 1 1 55 55 THR CG2 C 13 21.6276 0.2 . 1 . . . . . . . . 5875 1 587 . 1 1 55 55 THR HG21 H 1 1.2781 0.02 . 1 . . . . . . . . 5875 1 588 . 1 1 55 55 THR HG22 H 1 1.2781 0.02 . 1 . . . . . . . . 5875 1 589 . 1 1 55 55 THR HG23 H 1 1.2781 0.02 . 1 . . . . . . . . 5875 1 590 . 1 1 56 56 GLU H H 1 7.9692 0.02 . 1 . . . . . . . . 5875 1 591 . 1 1 56 56 GLU N N 15 129.5426 0.2 . 1 . . . . . . . . 5875 1 592 . 1 1 56 56 GLU CA C 13 57.8450 0.2 . 1 . . . . . . . . 5875 1 593 . 1 1 56 56 GLU HA H 1 4.2390 0.02 . 1 . . . . . . . . 5875 1 594 . 1 1 56 56 GLU CB C 13 32.3133 0.2 . 1 . . . . . . . . 5875 1 595 . 1 1 56 56 GLU HB2 H 1 2.2020 0.02 . 2 . . . . . . . . 5875 1 596 . 1 1 56 56 GLU HB3 H 1 2.0640 0.02 . 2 . . . . . . . . 5875 1 597 . 1 1 56 56 GLU CG C 13 36.6900 0.2 . 1 . . . . . . . . 5875 1 598 . 1 1 56 56 GLU HG2 H 1 2.4060 0.02 . 1 . . . . . . . . 5875 1 stop_ save_