data_6491 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6491 _Entry.Title ; Correlations among 1JNC and H3JNC Coupling Constants in the Hydrogen-Bonding Network of Human Ubiquitin ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2005-02-04 _Entry.Accession_date 2005-02-07 _Entry.Last_release_date 2005-02-07 _Entry.Original_release_date 2005-02-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.14.0 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nenad Juranic . . . . 6491 2 Slobodan Macura . . . . 6491 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 1 6491 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 127 6491 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 . . 2021-04-29 . original BMRB . 6491 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6491 _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 ; Correlations among 1JNC and H3JNC Coupling Constants in the Hydrogen-Bonding Network of Human Ubiquitin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 123 _Citation.Journal_issue 17 _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 4099 _Citation.Page_last 4100 _Citation.Year 2001 _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 Nenad Juranic . . . . 6491 1 2 Slobodan Macura . . . . 6491 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6491 _Assembly.ID 1 _Assembly.Name 'Ub id 14' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 8600 _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 Ubiquitin 1 $Ub . . yes native no no . . . 6491 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein degradataion' 6491 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ub _Entity.Sf_category entity _Entity.Sf_framecode Ub _Entity.Entry_ID 6491 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ubiquitin _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 ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 8600 _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 'Protein degradataion' 6491 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 . 6491 1 2 . GLN . 6491 1 3 . ILE . 6491 1 4 . PHE . 6491 1 5 . VAL . 6491 1 6 . LYS . 6491 1 7 . THR . 6491 1 8 . LEU . 6491 1 9 . THR . 6491 1 10 . GLY . 6491 1 11 . LYS . 6491 1 12 . THR . 6491 1 13 . ILE . 6491 1 14 . THR . 6491 1 15 . LEU . 6491 1 16 . GLU . 6491 1 17 . VAL . 6491 1 18 . GLU . 6491 1 19 . PRO . 6491 1 20 . SER . 6491 1 21 . ASP . 6491 1 22 . THR . 6491 1 23 . ILE . 6491 1 24 . GLU . 6491 1 25 . ASN . 6491 1 26 . VAL . 6491 1 27 . LYS . 6491 1 28 . ALA . 6491 1 29 . LYS . 6491 1 30 . ILE . 6491 1 31 . GLN . 6491 1 32 . ASP . 6491 1 33 . LYS . 6491 1 34 . GLU . 6491 1 35 . GLY . 6491 1 36 . ILE . 6491 1 37 . PRO . 6491 1 38 . PRO . 6491 1 39 . ASP . 6491 1 40 . GLN . 6491 1 41 . GLN . 6491 1 42 . ARG . 6491 1 43 . LEU . 6491 1 44 . ILE . 6491 1 45 . PHE . 6491 1 46 . ALA . 6491 1 47 . GLY . 6491 1 48 . LYS . 6491 1 49 . GLN . 6491 1 50 . LEU . 6491 1 51 . GLU . 6491 1 52 . ASP . 6491 1 53 . GLY . 6491 1 54 . ARG . 6491 1 55 . THR . 6491 1 56 . LEU . 6491 1 57 . SER . 6491 1 58 . ASP . 6491 1 59 . TYR . 6491 1 60 . ASN . 6491 1 61 . ILE . 6491 1 62 . GLN . 6491 1 63 . LYS . 6491 1 64 . GLU . 6491 1 65 . SER . 6491 1 66 . THR . 6491 1 67 . LEU . 6491 1 68 . HIS . 6491 1 69 . LEU . 6491 1 70 . VAL . 6491 1 71 . LEU . 6491 1 72 . ARG . 6491 1 73 . LEU . 6491 1 74 . ARG . 6491 1 75 . GLY . 6491 1 76 . GLY . 6491 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 6491 1 . GLN 2 2 6491 1 . ILE 3 3 6491 1 . PHE 4 4 6491 1 . VAL 5 5 6491 1 . LYS 6 6 6491 1 . THR 7 7 6491 1 . LEU 8 8 6491 1 . THR 9 9 6491 1 . GLY 10 10 6491 1 . LYS 11 11 6491 1 . THR 12 12 6491 1 . ILE 13 13 6491 1 . THR 14 14 6491 1 . LEU 15 15 6491 1 . GLU 16 16 6491 1 . VAL 17 17 6491 1 . GLU 18 18 6491 1 . PRO 19 19 6491 1 . SER 20 20 6491 1 . ASP 21 21 6491 1 . THR 22 22 6491 1 . ILE 23 23 6491 1 . GLU 24 24 6491 1 . ASN 25 25 6491 1 . VAL 26 26 6491 1 . LYS 27 27 6491 1 . ALA 28 28 6491 1 . LYS 29 29 6491 1 . ILE 30 30 6491 1 . GLN 31 31 6491 1 . ASP 32 32 6491 1 . LYS 33 33 6491 1 . GLU 34 34 6491 1 . GLY 35 35 6491 1 . ILE 36 36 6491 1 . PRO 37 37 6491 1 . PRO 38 38 6491 1 . ASP 39 39 6491 1 . GLN 40 40 6491 1 . GLN 41 41 6491 1 . ARG 42 42 6491 1 . LEU 43 43 6491 1 . ILE 44 44 6491 1 . PHE 45 45 6491 1 . ALA 46 46 6491 1 . GLY 47 47 6491 1 . LYS 48 48 6491 1 . GLN 49 49 6491 1 . LEU 50 50 6491 1 . GLU 51 51 6491 1 . ASP 52 52 6491 1 . GLY 53 53 6491 1 . ARG 54 54 6491 1 . THR 55 55 6491 1 . LEU 56 56 6491 1 . SER 57 57 6491 1 . ASP 58 58 6491 1 . TYR 59 59 6491 1 . ASN 60 60 6491 1 . ILE 61 61 6491 1 . GLN 62 62 6491 1 . LYS 63 63 6491 1 . GLU 64 64 6491 1 . SER 65 65 6491 1 . THR 66 66 6491 1 . LEU 67 67 6491 1 . HIS 68 68 6491 1 . LEU 69 69 6491 1 . VAL 70 70 6491 1 . LEU 71 71 6491 1 . ARG 72 72 6491 1 . LEU 73 73 6491 1 . ARG 74 74 6491 1 . GLY 75 75 6491 1 . GLY 76 76 6491 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 6491 _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 $Ub . 9606 . yes . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 6491 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 6491 _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 $Ub . 'recombinant technology' . . . . . . . . . . . . . . . . 6491 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6491 _Sample.ID 1 _Sample.Name . _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 Ubiquitin . 1 $assembly 1 $Ub . protein 2 . . mM . . . . 6491 1 2 'acetic acid' . . . . . . buffer 25 . . mM . . . . 6491 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6491 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'pH not given' 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 temperature 303 0 K 6491 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6491 _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 H(N)CO' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6491 1 2 1JN(n-1)C no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6491 1 3 H3JNC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6491 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 6491 _Coupling_constant_list.ID 1 _Coupling_constant_list.Name . _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details 14T _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '2D H(N)CO' 1 $sample_1 isotropic 6491 1 2 1JN(n-1)C 1 $sample_1 isotropic 6491 1 3 H3JNC 1 $sample_1 isotropic 6491 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 1JN(n-1)C . 1 1 2 2 GLN N N 15 . . 1 1 1 1 MET C C 13 . 16.8 . . 0.05 . . . . . . . . . . . . . 6491 1 2 1JN(n-1)C . 1 1 3 3 ILE N N 15 . . 1 1 2 2 GLN C C 13 . 15.1 . . 0.05 . . . . . . . . . . . . . 6491 1 3 1JN(n-1)C . 1 1 4 4 PHE N N 15 . . 1 1 3 3 ILE C C 13 . 16.2 . . 0.05 . . . . . . . . . . . . . 6491 1 4 1JN(n-1)C . 1 1 5 5 VAL N N 15 . . 1 1 4 4 PHE C C 13 . 14.2 . . 0.05 . . . . . . . . . . . . . 6491 1 5 1JN(n-1)C . 1 1 6 6 LYS N N 15 . . 1 1 5 5 VAL C C 13 . 14.5 . . 0.05 . . . . . . . . . . . . . 6491 1 6 1JN(n-1)C . 1 1 7 7 THR N N 15 . . 1 1 6 6 LYS C C 13 . 14.8 . . 0.05 . . . . . . . . . . . . . 6491 1 7 1JN(n-1)C . 1 1 8 8 LEU N N 15 . . 1 1 7 7 THR C C 13 . 14.3 . . 0.05 . . . . . . . . . . . . . 6491 1 8 1JN(n-1)C . 1 1 9 9 THR N N 15 . . 1 1 8 8 LEU C C 13 . 15.4 . . 0.05 . . . . . . . . . . . . . 6491 1 9 1JN(n-1)C . 1 1 10 10 GLY N N 15 . . 1 1 9 9 THR C C 13 . 16.2 . . 0.05 . . . . . . . . . . . . . 6491 1 10 1JN(n-1)C . 1 1 11 11 LYS N N 15 . . 1 1 10 10 GLY C C 13 . 16.7 . . 0.05 . . . . . . . . . . . . . 6491 1 11 1JN(n-1)C . 1 1 12 12 THR N N 15 . . 1 1 11 11 LYS C C 13 . 15.2 . . 0.05 . . . . . . . . . . . . . 6491 1 12 1JN(n-1)C . 1 1 13 13 ILE N N 15 . . 1 1 12 12 THR C C 13 . 15.2 . . 0.05 . . . . . . . . . . . . . 6491 1 13 1JN(n-1)C . 1 1 14 14 THR N N 15 . . 1 1 13 13 ILE C C 13 . 14.9 . . 0.05 . . . . . . . . . . . . . 6491 1 14 1JN(n-1)C . 1 1 15 15 LEU N N 15 . . 1 1 14 14 THR C C 13 . 15.1 . . 0.05 . . . . . . . . . . . . . 6491 1 15 1JN(n-1)C . 1 1 16 16 GLU N N 15 . . 1 1 15 15 LEU C C 13 . 14.2 . . 0.05 . . . . . . . . . . . . . 6491 1 16 1JN(n-1)C . 1 1 17 17 VAL N N 15 . . 1 1 16 16 GLU C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 17 1JN(n-1)C . 1 1 18 18 GLU N N 15 . . 1 1 17 17 VAL C C 13 . 15.6 . . 0.05 . . . . . . . . . . . . . 6491 1 18 1JN(n-1)C . 1 1 20 20 SER N N 15 . . 1 1 19 19 PRO C C 13 . 15.8 . . 0.05 . . . . . . . . . . . . . 6491 1 19 1JN(n-1)C . 1 1 21 21 ASP N N 15 . . 1 1 20 20 SER C C 13 . 16.2 . . 0.05 . . . . . . . . . . . . . 6491 1 20 1JN(n-1)C . 1 1 22 22 THR N N 15 . . 1 1 21 21 ASP C C 13 . 15.8 . . 0.05 . . . . . . . . . . . . . 6491 1 21 1JN(n-1)C . 1 1 23 23 ILE N N 15 . . 1 1 22 22 THR C C 13 . 14.2 . . 0.05 . . . . . . . . . . . . . 6491 1 22 1JN(n-1)C . 1 1 24 24 GLU N N 15 . . 1 1 23 23 ILE C C 13 . 14.4 . . 0.05 . . . . . . . . . . . . . 6491 1 23 1JN(n-1)C . 1 1 25 25 ASN N N 15 . . 1 1 24 24 GLU C C 13 . 14.5 . . 0.05 . . . . . . . . . . . . . 6491 1 24 1JN(n-1)C . 1 1 26 26 VAL N N 15 . . 1 1 25 25 ASN C C 13 . 15.3 . . 0.05 . . . . . . . . . . . . . 6491 1 25 1JN(n-1)C . 1 1 27 27 LYS N N 15 . . 1 1 26 26 VAL C C 13 . 14.7 . . 0.05 . . . . . . . . . . . . . 6491 1 26 1JN(n-1)C . 1 1 28 28 ALA N N 15 . . 1 1 27 27 LYS C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 27 1JN(n-1)C . 1 1 29 29 LYS N N 15 . . 1 1 28 28 ALA C C 13 . 15.1 . . 0.05 . . . . . . . . . . . . . 6491 1 28 1JN(n-1)C . 1 1 30 30 ILE N N 15 . . 1 1 29 29 LYS C C 13 . 14.9 . . 0.05 . . . . . . . . . . . . . 6491 1 29 1JN(n-1)C . 1 1 31 31 GLN N N 15 . . 1 1 30 30 ILE C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 30 1JN(n-1)C . 1 1 32 32 ASP N N 15 . . 1 1 31 31 GLN C C 13 . 14.9 . . 0.05 . . . . . . . . . . . . . 6491 1 31 1JN(n-1)C . 1 1 33 33 LYS N N 15 . . 1 1 32 32 ASP C C 13 . 15.3 . . 0.05 . . . . . . . . . . . . . 6491 1 32 1JN(n-1)C . 1 1 34 34 GLU N N 15 . . 1 1 33 33 LYS C C 13 . 14.7 . . 0.05 . . . . . . . . . . . . . 6491 1 33 1JN(n-1)C . 1 1 35 35 GLY N N 15 . . 1 1 34 34 GLU C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 34 1JN(n-1)C . 1 1 36 36 ILE N N 15 . . 1 1 35 35 GLY C C 13 . 16.4 . . 0.05 . . . . . . . . . . . . . 6491 1 35 1JN(n-1)C . 1 1 39 39 ASP N N 15 . . 1 1 38 38 PRO C C 13 . 15.1 . . 0.05 . . . . . . . . . . . . . 6491 1 36 1JN(n-1)C . 1 1 40 40 GLN N N 15 . . 1 1 39 39 ASP C C 13 . 15.9 . . 0.05 . . . . . . . . . . . . . 6491 1 37 1JN(n-1)C . 1 1 41 41 GLN N N 15 . . 1 1 40 40 GLN C C 13 . 16.0 . . 0.05 . . . . . . . . . . . . . 6491 1 38 1JN(n-1)C . 1 1 42 42 ARG N N 15 . . 1 1 41 41 GLN C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 39 1JN(n-1)C . 1 1 43 43 LEU N N 15 . . 1 1 42 42 ARG C C 13 . 14.6 . . 0.05 . . . . . . . . . . . . . 6491 1 40 1JN(n-1)C . 1 1 44 44 ILE N N 15 . . 1 1 43 43 LEU C C 13 . 14.6 . . 0.05 . . . . . . . . . . . . . 6491 1 41 1JN(n-1)C . 1 1 45 45 PHE N N 15 . . 1 1 44 44 ILE C C 13 . 14.5 . . 0.05 . . . . . . . . . . . . . 6491 1 42 1JN(n-1)C . 1 1 46 46 ALA N N 15 . . 1 1 45 45 PHE C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 43 1JN(n-1)C . 1 1 47 47 GLY N N 15 . . 1 1 46 46 ALA C C 13 . 15.3 . . 0.05 . . . . . . . . . . . . . 6491 1 44 1JN(n-1)C . 1 1 48 48 LYS N N 15 . . 1 1 47 47 GLY C C 13 . 16.8 . . 0.05 . . . . . . . . . . . . . 6491 1 45 1JN(n-1)C . 1 1 49 49 GLN N N 15 . . 1 1 48 48 LYS C C 13 . 14.2 . . 0.05 . . . . . . . . . . . . . 6491 1 46 1JN(n-1)C . 1 1 50 50 LEU N N 15 . . 1 1 49 49 GLN C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 47 1JN(n-1)C . 1 1 51 51 GLU N N 15 . . 1 1 50 50 LEU C C 13 . 15.2 . . 0.05 . . . . . . . . . . . . . 6491 1 48 1JN(n-1)C . 1 1 52 52 ASP N N 15 . . 1 1 51 51 GLU C C 13 . 13.9 . . 0.05 . . . . . . . . . . . . . 6491 1 49 1JN(n-1)C . 1 1 53 53 GLY N N 15 . . 1 1 52 52 ASP C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 50 1JN(n-1)C . 1 1 54 54 ARG N N 15 . . 1 1 53 53 GLY C C 13 . 17.0 . . 0.05 . . . . . . . . . . . . . 6491 1 51 1JN(n-1)C . 1 1 55 55 THR N N 15 . . 1 1 54 54 ARG C C 13 . 15.4 . . 0.05 . . . . . . . . . . . . . 6491 1 52 1JN(n-1)C . 1 1 56 56 LEU N N 15 . . 1 1 55 55 THR C C 13 . 13.8 . . 0.05 . . . . . . . . . . . . . 6491 1 53 1JN(n-1)C . 1 1 57 57 SER N N 15 . . 1 1 56 56 LEU C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 54 1JN(n-1)C . 1 1 58 58 ASP N N 15 . . 1 1 57 57 SER C C 13 . 15.2 . . 0.05 . . . . . . . . . . . . . 6491 1 55 1JN(n-1)C . 1 1 59 59 TYR N N 15 . . 1 1 58 58 ASP C C 13 . 15.9 . . 0.05 . . . . . . . . . . . . . 6491 1 56 1JN(n-1)C . 1 1 60 60 ASN N N 15 . . 1 1 59 59 TYR C C 13 . 15.2 . . 0.05 . . . . . . . . . . . . . 6491 1 57 1JN(n-1)C . 1 1 61 61 ILE N N 15 . . 1 1 60 60 ASN C C 13 . 16.4 . . 0.05 . . . . . . . . . . . . . 6491 1 58 1JN(n-1)C . 1 1 62 62 GLN N N 15 . . 1 1 61 61 ILE C C 13 . 14.8 . . 0.05 . . . . . . . . . . . . . 6491 1 59 1JN(n-1)C . 1 1 63 63 LYS N N 15 . . 1 1 62 62 GLN C C 13 . 15.3 . . 0.05 . . . . . . . . . . . . . 6491 1 60 1JN(n-1)C . 1 1 64 64 GLU N N 15 . . 1 1 63 63 LYS C C 13 . 14.7 . . 0.05 . . . . . . . . . . . . . 6491 1 61 1JN(n-1)C . 1 1 65 65 SER N N 15 . . 1 1 64 64 GLU C C 13 . 16.6 . . 0.05 . . . . . . . . . . . . . 6491 1 62 1JN(n-1)C . 1 1 66 66 THR N N 15 . . 1 1 65 65 SER C C 13 . 15.2 . . 0.05 . . . . . . . . . . . . . 6491 1 63 1JN(n-1)C . 1 1 67 67 LEU N N 15 . . 1 1 66 66 THR C C 13 . 14.7 . . 0.05 . . . . . . . . . . . . . 6491 1 64 1JN(n-1)C . 1 1 68 68 HIS N N 15 . . 1 1 67 67 LEU C C 13 . 14.3 . . 0.05 . . . . . . . . . . . . . 6491 1 65 1JN(n-1)C . 1 1 69 69 LEU N N 15 . . 1 1 68 68 HIS C C 13 . 14.8 . . 0.05 . . . . . . . . . . . . . 6491 1 66 1JN(n-1)C . 1 1 70 70 VAL N N 15 . . 1 1 69 69 LEU C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 67 1JN(n-1)C . 1 1 71 71 LEU N N 15 . . 1 1 70 70 VAL C C 13 . 14.9 . . 0.05 . . . . . . . . . . . . . 6491 1 68 1JN(n-1)C . 1 1 72 72 ARG N N 15 . . 1 1 71 71 LEU C C 13 . 14.5 . . 0.05 . . . . . . . . . . . . . 6491 1 69 1JN(n-1)C . 1 1 73 73 LEU N N 15 . . 1 1 72 72 ARG C C 13 . 15.0 . . 0.05 . . . . . . . . . . . . . 6491 1 70 1JN(n-1)C . 1 1 74 74 ARG N N 15 . . 1 1 73 73 LEU C C 13 . 14.9 . . 0.05 . . . . . . . . . . . . . 6491 1 71 1JN(n-1)C . 1 1 75 75 GLY N N 15 . . 1 1 74 74 ARG C C 13 . 15.5 . . 0.05 . . . . . . . . . . . . . 6491 1 72 1JN(n-1)C . 1 1 76 76 GLY N N 15 . . 1 1 75 75 GLY C C 13 . 17.0 . . 0.05 . . . . . . . . . . . . . 6491 1 73 H3JNC . 1 1 3 3 ILE N N 15 . . 1 1 15 15 LEU C C 13 . 0.32 . . 0.03 . . . . . . . . . . . . . 6491 1 74 H3JNC . 1 1 4 4 PHE N N 15 . . 1 1 65 65 SER C C 13 . 0.65 . . 0.03 . . . . . . . . . . . . . 6491 1 75 H3JNC . 1 1 5 5 VAL N N 15 . . 1 1 13 13 ILE C C 13 . 0.67 . . 0.03 . . . . . . . . . . . . . 6491 1 76 H3JNC . 1 1 6 6 LYS N N 15 . . 1 1 67 67 LEU C C 13 . 0.68 . . 0.03 . . . . . . . . . . . . . 6491 1 77 H3JNC . 1 1 7 7 THR N N 15 . . 1 1 11 11 LYS C C 13 . 0.63 . . 0.03 . . . . . . . . . . . . . 6491 1 78 H3JNC . 1 1 13 13 ILE N N 15 . . 1 1 5 5 VAL C C 13 . 0.71 . . 0.03 . . . . . . . . . . . . . 6491 1 79 H3JNC . 1 1 15 15 LEU N N 15 . . 1 1 3 3 ILE C C 13 . 0.77 . . 0.03 . . . . . . . . . . . . . 6491 1 80 H3JNC . 1 1 17 17 VAL N N 15 . . 1 1 1 1 MET C C 13 . 0.51 . . 0.05 . . . . . . . . . . . . . 6491 1 81 H3JNC . 1 1 23 23 ILE N N 15 . . 1 1 54 54 ARG C C 13 . 0.65 . . 0.03 . . . . . . . . . . . . . 6491 1 82 H3JNC . 1 1 26 26 VAL N N 15 . . 1 1 22 22 THR C C 13 . 0.28 . . 0.03 . . . . . . . . . . . . . 6491 1 83 H3JNC . 1 1 27 27 LYS N N 15 . . 1 1 23 23 ILE C C 13 . 0.47 . . 0.03 . . . . . . . . . . . . . 6491 1 84 H3JNC . 1 1 28 28 ALA N N 15 . . 1 1 24 24 GLU C C 13 . 0.21 . . 0.03 . . . . . . . . . . . . . 6491 1 85 H3JNC . 1 1 29 29 LYS N N 15 . . 1 1 25 25 ASN C C 13 . 0.28 . . 0.03 . . . . . . . . . . . . . 6491 1 86 H3JNC . 1 1 30 30 ILE N N 15 . . 1 1 26 26 VAL C C 13 . 0.32 . . 0.03 . . . . . . . . . . . . . 6491 1 87 H3JNC . 1 1 31 31 GLN N N 15 . . 1 1 27 27 LYS C C 13 . 0.30 . . 0.03 . . . . . . . . . . . . . 6491 1 88 H3JNC . 1 1 32 32 ASP N N 15 . . 1 1 28 28 ALA C C 13 . 0.28 . . 0.03 . . . . . . . . . . . . . 6491 1 89 H3JNC . 1 1 33 33 LYS N N 15 . . 1 1 29 29 LYS C C 13 . 0.26 . . 0.03 . . . . . . . . . . . . . 6491 1 90 H3JNC . 1 1 34 34 GLU N N 15 . . 1 1 30 30 ILE C C 13 . 0.55 . . 0.03 . . . . . . . . . . . . . 6491 1 91 H3JNC . 1 1 35 35 GLY N N 15 . . 1 1 31 31 GLN C C 13 . 0.29 . . 0.03 . . . . . . . . . . . . . 6491 1 92 H3JNC . 1 1 41 41 GLN N N 15 . . 1 1 38 38 PRO C C 13 . 0.00 . 0.1 . . . . . . . . . . . . . . 6491 1 93 H3JNC . 1 1 42 42 ARG N N 15 . . 1 1 70 70 VAL C C 13 . 0.45 . . 0.03 . . . . . . . . . . . . . 6491 1 94 H3JNC . 1 1 44 44 ILE N N 15 . . 1 1 68 68 HIS C C 13 . 0.69 . . 0.03 . . . . . . . . . . . . . 6491 1 95 H3JNC . 1 1 45 45 PHE N N 15 . . 1 1 48 48 LYS C C 13 . 0.51 . . 0.03 . . . . . . . . . . . . . 6491 1 96 H3JNC . 1 1 50 50 LEU N N 15 . . 1 1 43 43 LEU C C 13 . 0.64 . . 0.03 . . . . . . . . . . . . . 6491 1 97 H3JNC . 1 1 56 56 LEU N N 15 . . 1 1 21 21 ASP C C 13 . 0.65 . . 0.03 . . . . . . . . . . . . . 6491 1 98 H3JNC . 1 1 57 57 SER N N 15 . . 1 1 19 19 PRO C C 13 . 0.41 . . 0.03 . . . . . . . . . . . . . 6491 1 99 H3JNC . 1 1 59 59 TYR N N 15 . . 1 1 55 55 THR C C 13 . 0.00 . 0.1 . . . . . . . . . . . . . . 6491 1 100 H3JNC . 1 1 60 60 ASN N N 15 . . 1 1 57 57 SER C C 13 . 0.20 . . 0.03 . . . . . . . . . . . . . 6491 1 101 H3JNC . 1 1 61 61 ILE N N 15 . . 1 1 56 56 LEU C C 13 . 0.73 . . 0.03 . . . . . . . . . . . . . 6491 1 102 H3JNC . 1 1 64 64 GLU N N 15 . . 1 1 2 2 GLN C C 13 . 0.70 . . 0.03 . . . . . . . . . . . . . 6491 1 103 H3JNC . 1 1 65 65 SER N N 15 . . 1 1 62 62 GLN C C 13 . 0.57 . . 0.03 . . . . . . . . . . . . . 6491 1 104 H3JNC . 1 1 67 67 LEU N N 15 . . 1 1 4 4 PHE C C 13 . 0.65 . . 0.03 . . . . . . . . . . . . . 6491 1 105 H3JNC . 1 1 68 68 HIS N N 15 . . 1 1 44 44 ILE C C 13 . 0.64 . . 0.03 . . . . . . . . . . . . . 6491 1 106 H3JNC . 1 1 69 69 LEU N N 15 . . 1 1 6 6 LYS C C 13 . 0.38 . . 0.03 . . . . . . . . . . . . . 6491 1 107 H3JNC . 1 1 70 70 VAL N N 15 . . 1 1 42 42 ARG C C 13 . 0.32 . . 0.03 . . . . . . . . . . . . . 6491 1 108 H3JNC . 1 1 72 72 ARG N N 15 . . 1 1 40 40 GLN C C 13 . 0.65 . . 0.03 . . . . . . . . . . . . . 6491 1 109 2JNC . 1 1 8 8 LEU N N 15 . . 1 1 8 8 LEU C C 13 . 0.25 . . 0.03 . . . . . . . . . . . . . 6491 1 110 2JNC . 1 1 9 9 THR N N 15 . . 1 1 9 9 THR C C 13 . 0.46 . . 0.03 . . . . . . . . . . . . . 6491 1 111 2JNC . 1 1 11 11 LYS N N 15 . . 1 1 11 11 LYS C C 13 . 0.24 . . 0.03 . . . . . . . . . . . . . 6491 1 112 2JNC . 1 1 17 17 VAL N N 15 . . 1 1 17 17 VAL C C 13 . 0.44 . . 0.03 . . . . . . . . . . . . . 6491 1 113 2JNC . 1 1 20 20 SER N N 15 . . 1 1 20 20 SER C C 13 . 0.70 . . 0.03 . . . . . . . . . . . . . 6491 1 114 2JNC . 1 1 21 21 ASP N N 15 . . 1 1 21 21 ASP C C 13 . 0.60 . . 0.03 . . . . . . . . . . . . . 6491 1 115 2JNC . 1 1 33 33 LYS N N 15 . . 1 1 33 33 LYS C C 13 . 0.36 . . 0.03 . . . . . . . . . . . . . 6491 1 116 2JNC . 1 1 34 34 GLU N N 15 . . 1 1 34 34 GLU C C 13 . 1.15 . . 0.03 . . . . . . . . . . . . . 6491 1 117 2JNC . 1 1 40 40 GLN N N 15 . . 1 1 40 40 GLN C C 13 . 0.44 . . 0.03 . . . . . . . . . . . . . 6491 1 118 2JNC . 1 1 44 44 ILE N N 15 . . 1 1 44 44 ILE C C 13 . 0.50 . . 0.05 . . . . . . . . . . . . . 6491 1 119 2JNC . 1 1 45 45 PHE N N 15 . . 1 1 45 45 PHE C C 13 . 0.42 . . 0.03 . . . . . . . . . . . . . 6491 1 120 2JNC . 1 1 50 50 LEU N N 15 . . 1 1 50 50 LEU C C 13 . 0.32 . . 0.03 . . . . . . . . . . . . . 6491 1 121 2JNC . 1 1 55 55 THR N N 15 . . 1 1 55 55 THR C C 13 . 0.40 . . 0.03 . . . . . . . . . . . . . 6491 1 122 2JNC . 1 1 57 57 SER N N 15 . . 1 1 57 57 SER C C 13 . 0.27 . . 0.03 . . . . . . . . . . . . . 6491 1 123 2JNC . 1 1 59 59 TYR N N 15 . . 1 1 59 59 TYR C C 13 . 0.48 . . 0.03 . . . . . . . . . . . . . 6491 1 124 2JNC . 1 1 61 61 ILE N N 15 . . 1 1 61 61 ILE C C 13 . 0.61 . . 0.03 . . . . . . . . . . . . . 6491 1 125 2JNC . 1 1 62 62 GLN N N 15 . . 1 1 62 62 GLN C C 13 . 0.45 . . 0.03 . . . . . . . . . . . . . 6491 1 126 3JNC . 1 1 25 25 ASN N N 15 . . 1 1 25 25 ASN C C 13 . 1.00 . . 0.03 . . . . . . . . . . . . . 6491 1 127 3JNC . 1 1 60 60 ASN N N 15 . . 1 1 60 60 ASN C C 13 . 0.08 . . 0.03 . . . . . . . . . . . . . 6491 1 stop_ save_