data_18851 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18851 _Entry.Title ; HIV-1 Rev ARM peptide (residues T34-R50) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-21 _Entry.Accession_date 2012-11-21 _Entry.Last_release_date 2013-09-04 _Entry.Original_release_date 2013-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Chemical shift assignments for HIV-1 Rev ARM peptide, which comprises native residues 34-50 of the HIV-1 Rev protein and constitutes the protein RNA-binding domain and nuclear export signal ; _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 Fabio Casu . . . 18851 2 Brendan Duggan . M. . 18851 3 Mirko Hennig . . . 18851 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18851 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 103 18851 '15N chemical shifts' 27 18851 '1H chemical shifts' 163 18851 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 . . 2013-09-04 2012-11-21 original author . 18851 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18852 'HIV-1 Rev ARM peptide (residues T34-R50)' 18851 PDB 1ETG . 18851 PDB 1RPV . 18851 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18851 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23972852 _Citation.Full_citation . _Citation.Title 'The Arginine-Rich RNA-Binding Motif of HIV-1 Rev Is Intrinsically Disordered and Folds upon RRE Binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 4 _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 1004 _Citation.Page_last 1017 _Citation.Year 2013 _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 Fabio Casu . . . 18851 1 2 Brendan Duggan . M. . 18851 1 3 Mirko Hennig . . . 18851 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18851 _Assembly.ID 1 _Assembly.Name 'HIV-1 Rev ARM single polypeptide chain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HIV-1 Rev ARM peptide' 1 $HIV-1_Rev_ARM A . yes native no no . . . 18851 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-1_Rev_ARM _Entity.Sf_category entity _Entity.Sf_framecode HIV-1_Rev_ARM _Entity.Entry_ID 18851 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIV-1_Rev_ARM _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 ; GAMATRQARRNRRRRWRERQ RAAAAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-4 and 22-26 are non-native residues added for expression (TEV-cleavable hexahistidine-GB1 expression tag) and to enhance helical stability. ; _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 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'HIV-1 Rev arginine-rich motif' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no BMRB 18852 . Rev_ARM_peptide . . . . . 100.00 26 100.00 100.00 5.78e-05 . . . . 18851 1 no PDB 2M1A . "Hiv-1 Rev Arm Peptide (residues T34-r50)" . . . . . 100.00 26 100.00 100.00 5.78e-05 . . . . 18851 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 . GLY . 18851 1 2 . ALA . 18851 1 3 . MET . 18851 1 4 . ALA . 18851 1 5 . THR . 18851 1 6 . ARG . 18851 1 7 . GLN . 18851 1 8 . ALA . 18851 1 9 . ARG . 18851 1 10 . ARG . 18851 1 11 . ASN . 18851 1 12 . ARG . 18851 1 13 . ARG . 18851 1 14 . ARG . 18851 1 15 . ARG . 18851 1 16 . TRP . 18851 1 17 . ARG . 18851 1 18 . GLU . 18851 1 19 . ARG . 18851 1 20 . GLN . 18851 1 21 . ARG . 18851 1 22 . ALA . 18851 1 23 . ALA . 18851 1 24 . ALA . 18851 1 25 . ALA . 18851 1 26 . ARG . 18851 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18851 1 . ALA 2 2 18851 1 . MET 3 3 18851 1 . ALA 4 4 18851 1 . THR 5 5 18851 1 . ARG 6 6 18851 1 . GLN 7 7 18851 1 . ALA 8 8 18851 1 . ARG 9 9 18851 1 . ARG 10 10 18851 1 . ASN 11 11 18851 1 . ARG 12 12 18851 1 . ARG 13 13 18851 1 . ARG 14 14 18851 1 . ARG 15 15 18851 1 . TRP 16 16 18851 1 . ARG 17 17 18851 1 . GLU 18 18 18851 1 . ARG 19 19 18851 1 . GLN 20 20 18851 1 . ARG 21 21 18851 1 . ALA 22 22 18851 1 . ALA 23 23 18851 1 . ALA 24 24 18851 1 . ALA 25 25 18851 1 . ARG 26 26 18851 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 18851 _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 $HIV-1_Rev_ARM . 11676 organism . HIV-1 HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . . . . . . . . . 18851 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 18851 _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 $HIV-1_Rev_ARM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . 'p(H)GB1-derived vector' . . . 'Expression controlled with the T7 lac promoter' . . 18851 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rev_ARM_15N _Sample.Sf_category sample _Sample.Sf_framecode Rev_ARM_15N _Sample.Entry_ID 18851 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N-labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-1 Rev ARM' [U-15N] . . 1 $HIV-1_Rev_ARM . . 1.0 . . mM . . . . 18851 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18851 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18851 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18851 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18851 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18851 1 7 D2O '[U-99% 2H]' . . . . . . 10.0 . . % . . . . 18851 1 8 H2O 'natural abundance' . . . . . . 90.0 . . % . . . . 18851 1 stop_ save_ save_Rev_ARM_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode Rev_ARM_15N-13C _Sample.Entry_ID 18851 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N,13C-labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-1 Rev ARM' '[U-13C; U-15N]' . . 1 $HIV-1_Rev_ARM . . 1.0 . . mM . . . . 18851 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18851 2 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18851 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18851 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18851 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18851 2 7 D2O '[U-99% 2H]' . . . . . . 10.0 . . % . . . . 18851 2 8 H2O 'natural abundance' . . . . . . 90.0 . . % . . . . 18851 2 stop_ save_ ####################### # Sample conditions # ####################### save_Experiments_at_283K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Experiments_at_283K _Sample_condition_list.Entry_ID 18851 _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 7.4 . pH 18851 1 temperature 283 . K 18851 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18851 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18851 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18851 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18851 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18851 2 stop_ save_ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 18851 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18851 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18851 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18851 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Equipped with a 5mm 1H[13C/15N] triple resonance probe featuring cryogenically cooled preamplifiers and r.f. coils on 1H and 13C channels and z-axis gradient ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18851 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; Equipped with a 5mm 1H[13C/15N] triple resonance probe featuring cryogenically cooled preamplifiers and r.f. coils on 1H and 13C channels and z-axis gradient ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18851 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Equipped with a conventional 5mm 1H[13C/15N] triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18851 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 ; Equipped with a 5mm 1H[13C/15N] triple resonance probe featuring cryogenically cooled preamplifiers and r.f. coils on 1H and 13C channels and z-axis gradient ; . . 18851 1 2 spectrometer_2 Bruker Avance . 700 ; Equipped with a 5mm 1H[13C/15N] triple resonance probe featuring cryogenically cooled preamplifiers and r.f. coils on 1H and 13C channels and z-axis gradient ; . . 18851 1 3 spectrometer_3 Bruker Avance . 600 'Equipped with a conventional 5mm 1H[13C/15N] triple resonance probe' . . 18851 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 18851 _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-15N HSQC' no . . . . . . . . . . 1 $Rev_ARM_15N isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 3 '3D HNCO' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 4 '3D HNCA' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 7 '3D HNCACB' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Rev_ARM_15N isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 13 '3D HNHA' no . . . . . . . . . . 1 $Rev_ARM_15N isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18851 1 stop_ 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 18851 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 18851 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18851 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18851 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18851 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Experiments_at_283K _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 '2D 1H-15N HSQC' . . . 18851 1 2 '2D 1H-13C HSQC' . . . 18851 1 3 '3D HNCO' . . . 18851 1 4 '3D HNCA' . . . 18851 1 5 '3D HN(CO)CA' . . . 18851 1 6 '3D CBCA(CO)NH' . . . 18851 1 7 '3D HNCACB' . . . 18851 1 8 '3D HBHA(CO)NH' . . . 18851 1 9 '3D H(CCO)NH' . . . 18851 1 12 '3D HCCH-TOCSY' . . . 18851 1 13 '3D HNHA' . . . 18851 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 2 2 ALA C C 13 178.406 0.000 . 1 . . . . 2 ALA C . 18851 1 2 . 1 1 2 2 ALA CA C 13 52.904 0.049 . 1 . . . . 2 ALA CA . 18851 1 3 . 1 1 2 2 ALA CB C 13 18.973 0.151 . 1 . . . . 2 ALA CB . 18851 1 4 . 1 1 3 3 MET H H 1 8.671 0.003 . 1 . . . . 3 MET H . 18851 1 5 . 1 1 3 3 MET HA H 1 4.392 0.026 . 1 . . . . 3 MET HA . 18851 1 6 . 1 1 3 3 MET HB2 H 1 1.886 0.094 . 1 . . . . 3 MET HB2 . 18851 1 7 . 1 1 3 3 MET HB3 H 1 1.886 0.094 . 1 . . . . 3 MET HB3 . 18851 1 8 . 1 1 3 3 MET HG2 H 1 2.493 0.113 . 1 . . . . 3 MET HG2 . 18851 1 9 . 1 1 3 3 MET HG3 H 1 2.541 0.078 . 1 . . . . 3 MET HG3 . 18851 1 10 . 1 1 3 3 MET C C 13 176.744 0.000 . 1 . . . . 3 MET C . 18851 1 11 . 1 1 3 3 MET CA C 13 55.966 0.103 . 1 . . . . 3 MET CA . 18851 1 12 . 1 1 3 3 MET CB C 13 32.621 0.093 . 1 . . . . 3 MET CB . 18851 1 13 . 1 1 3 3 MET CG C 13 32.243 0.093 . 1 . . . . 3 MET CG . 18851 1 14 . 1 1 3 3 MET N N 15 120.101 0.047 . 1 . . . . 3 MET N . 18851 1 15 . 1 1 4 4 ALA H H 1 8.528 0.002 . 1 . . . . 4 ALA H . 18851 1 16 . 1 1 4 4 ALA HA H 1 4.349 0.019 . 1 . . . . 4 ALA HA . 18851 1 17 . 1 1 4 4 ALA HB1 H 1 1.299 0.147 . 1 . . . . 4 ALA HB1 . 18851 1 18 . 1 1 4 4 ALA HB2 H 1 1.299 0.147 . 1 . . . . 4 ALA HB2 . 18851 1 19 . 1 1 4 4 ALA HB3 H 1 1.299 0.147 . 1 . . . . 4 ALA HB3 . 18851 1 20 . 1 1 4 4 ALA C C 13 178.759 0.000 . 1 . . . . 4 ALA C . 18851 1 21 . 1 1 4 4 ALA CA C 13 53.049 0.086 . 1 . . . . 4 ALA CA . 18851 1 22 . 1 1 4 4 ALA CB C 13 18.667 0.106 . 1 . . . . 4 ALA CB . 18851 1 23 . 1 1 4 4 ALA N N 15 125.504 0.033 . 1 . . . . 4 ALA N . 18851 1 24 . 1 1 5 5 THR H H 1 8.205 0.003 . 1 . . . . 5 THR H . 18851 1 25 . 1 1 5 5 THR HA H 1 4.243 0.023 . 1 . . . . 5 THR HA . 18851 1 26 . 1 1 5 5 THR HB H 1 4.265 0.017 . 1 . . . . 5 THR HB . 18851 1 27 . 1 1 5 5 THR HG21 H 1 1.025 0.121 . 1 . . . . 5 THR HG21 . 18851 1 28 . 1 1 5 5 THR HG22 H 1 1.025 0.121 . 1 . . . . 5 THR HG22 . 18851 1 29 . 1 1 5 5 THR HG23 H 1 1.025 0.121 . 1 . . . . 5 THR HG23 . 18851 1 30 . 1 1 5 5 THR C C 13 175.294 0.000 . 1 . . . . 5 THR C . 18851 1 31 . 1 1 5 5 THR CA C 13 62.663 0.088 . 1 . . . . 5 THR CA . 18851 1 32 . 1 1 5 5 THR CB C 13 69.660 0.109 . 1 . . . . 5 THR CB . 18851 1 33 . 1 1 5 5 THR CG2 C 13 21.692 0.203 . 1 . . . . 5 THR CG2 . 18851 1 34 . 1 1 5 5 THR N N 15 113.960 0.039 . 1 . . . . 5 THR N . 18851 1 35 . 1 1 6 6 ARG H H 1 8.490 0.002 . 1 . . . . 6 ARG H . 18851 1 36 . 1 1 6 6 ARG HA H 1 4.168 0.023 . 1 . . . . 6 ARG HA . 18851 1 37 . 1 1 6 6 ARG HB2 H 1 1.664 0.099 . 1 . . . . 6 ARG HB2 . 18851 1 38 . 1 1 6 6 ARG HB3 H 1 1.664 0.099 . 1 . . . . 6 ARG HB3 . 18851 1 39 . 1 1 6 6 ARG HG2 H 1 1.467 0.117 . 1 . . . . 6 ARG HG2 . 18851 1 40 . 1 1 6 6 ARG HG3 H 1 1.448 0.130 . 1 . . . . 6 ARG HG3 . 18851 1 41 . 1 1 6 6 ARG HD2 H 1 3.081 0.067 . 1 . . . . 6 ARG HD2 . 18851 1 42 . 1 1 6 6 ARG HD3 H 1 3.081 0.067 . 1 . . . . 6 ARG HD3 . 18851 1 43 . 1 1 6 6 ARG C C 13 177.537 0.000 . 1 . . . . 6 ARG C . 18851 1 44 . 1 1 6 6 ARG CA C 13 57.661 0.063 . 1 . . . . 6 ARG CA . 18851 1 45 . 1 1 6 6 ARG CB C 13 30.322 0.103 . 1 . . . . 6 ARG CB . 18851 1 46 . 1 1 6 6 ARG CG C 13 26.708 0.000 . 1 . . . . 6 ARG CG . 18851 1 47 . 1 1 6 6 ARG CD C 13 43.327 0.119 . 1 . . . . 6 ARG CD . 18851 1 48 . 1 1 6 6 ARG N N 15 123.265 0.037 . 1 . . . . 6 ARG N . 18851 1 49 . 1 1 7 7 GLN H H 1 8.513 0.002 . 1 . . . . 7 GLN H . 18851 1 50 . 1 1 7 7 GLN HA H 1 4.141 0.029 . 1 . . . . 7 GLN HA . 18851 1 51 . 1 1 7 7 GLN HB2 H 1 1.892 0.091 . 1 . . . . 7 GLN HB2 . 18851 1 52 . 1 1 7 7 GLN HB3 H 1 1.892 0.091 . 1 . . . . 7 GLN HB3 . 18851 1 53 . 1 1 7 7 GLN HG2 H 1 2.250 0.089 . 1 . . . . 7 GLN HG2 . 18851 1 54 . 1 1 7 7 GLN HG3 H 1 2.250 0.089 . 1 . . . . 7 GLN HG3 . 18851 1 55 . 1 1 7 7 GLN HE21 H 1 7.644 0.009 . 1 . . . . 7 GLN HE21 . 18851 1 56 . 1 1 7 7 GLN HE22 H 1 7.020 0.008 . 1 . . . . 7 GLN HE22 . 18851 1 57 . 1 1 7 7 GLN C C 13 176.695 0.000 . 1 . . . . 7 GLN C . 18851 1 58 . 1 1 7 7 GLN CA C 13 56.963 0.104 . 1 . . . . 7 GLN CA . 18851 1 59 . 1 1 7 7 GLN CB C 13 28.863 0.121 . 1 . . . . 7 GLN CB . 18851 1 60 . 1 1 7 7 GLN CG C 13 33.684 0.183 . 1 . . . . 7 GLN CG . 18851 1 61 . 1 1 7 7 GLN N N 15 120.921 0.028 . 1 . . . . 7 GLN N . 18851 1 62 . 1 1 7 7 GLN NE2 N 15 111.382 0.036 . 1 . . . . 7 GLN NE2 . 18851 1 63 . 1 1 8 8 ALA H H 1 8.344 0.002 . 1 . . . . 8 ALA H . 18851 1 64 . 1 1 8 8 ALA HA H 1 4.234 0.028 . 1 . . . . 8 ALA HA . 18851 1 65 . 1 1 8 8 ALA HB1 H 1 1.272 0.134 . 1 . . . . 8 ALA HB1 . 18851 1 66 . 1 1 8 8 ALA HB2 H 1 1.272 0.134 . 1 . . . . 8 ALA HB2 . 18851 1 67 . 1 1 8 8 ALA HB3 H 1 1.272 0.134 . 1 . . . . 8 ALA HB3 . 18851 1 68 . 1 1 8 8 ALA C C 13 179.237 0.000 . 1 . . . . 8 ALA C . 18851 1 69 . 1 1 8 8 ALA CA C 13 53.610 0.058 . 1 . . . . 8 ALA CA . 18851 1 70 . 1 1 8 8 ALA CB C 13 18.443 0.122 . 1 . . . . 8 ALA CB . 18851 1 71 . 1 1 8 8 ALA N N 15 124.478 0.035 . 1 . . . . 8 ALA N . 18851 1 72 . 1 1 9 9 ARG H H 1 8.339 0.001 . 1 . . . . 9 ARG H . 18851 1 73 . 1 1 9 9 ARG HA H 1 4.159 0.019 . 1 . . . . 9 ARG HA . 18851 1 74 . 1 1 9 9 ARG HB2 H 1 1.731 0.140 . 1 . . . . 9 ARG HB2 . 18851 1 75 . 1 1 9 9 ARG HB3 H 1 1.731 0.140 . 1 . . . . 9 ARG HB3 . 18851 1 76 . 1 1 9 9 ARG HG2 H 1 1.503 0.131 . 1 . . . . 9 ARG HG2 . 18851 1 77 . 1 1 9 9 ARG HG3 H 1 1.503 0.131 . 1 . . . . 9 ARG HG3 . 18851 1 78 . 1 1 9 9 ARG HD2 H 1 3.106 0.089 . 1 . . . . 9 ARG HD2 . 18851 1 79 . 1 1 9 9 ARG HD3 H 1 3.106 0.089 . 1 . . . . 9 ARG HD3 . 18851 1 80 . 1 1 9 9 ARG C C 13 177.663 0.000 . 1 . . . . 9 ARG C . 18851 1 81 . 1 1 9 9 ARG CA C 13 57.586 0.082 . 1 . . . . 9 ARG CA . 18851 1 82 . 1 1 9 9 ARG CB C 13 30.247 0.072 . 1 . . . . 9 ARG CB . 18851 1 83 . 1 1 9 9 ARG CG C 13 26.739 0.000 . 1 . . . . 9 ARG CG . 18851 1 84 . 1 1 9 9 ARG CD C 13 43.077 0.000 . 1 . . . . 9 ARG CD . 18851 1 85 . 1 1 9 9 ARG N N 15 120.066 0.048 . 1 . . . . 9 ARG N . 18851 1 86 . 1 1 10 10 ARG H H 1 8.377 0.000 . 1 . . . . 10 ARG H . 18851 1 87 . 1 1 10 10 ARG HA H 1 4.204 0.000 . 1 . . . . 10 ARG HA . 18851 1 88 . 1 1 10 10 ARG HB2 H 1 1.865 0.000 . 1 . . . . 10 ARG HB2 . 18851 1 89 . 1 1 10 10 ARG HB3 H 1 1.865 0.000 . 1 . . . . 10 ARG HB3 . 18851 1 90 . 1 1 10 10 ARG HG2 H 1 1.640 0.000 . 1 . . . . 10 ARG HG2 . 18851 1 91 . 1 1 10 10 ARG HG3 H 1 1.640 0.000 . 1 . . . . 10 ARG HG3 . 18851 1 92 . 1 1 10 10 ARG HD2 H 1 3.163 0.000 . 1 . . . . 10 ARG HD2 . 18851 1 93 . 1 1 10 10 ARG HD3 H 1 3.163 0.000 . 1 . . . . 10 ARG HD3 . 18851 1 94 . 1 1 10 10 ARG C C 13 177.502 0.000 . 1 . . . . 10 ARG C . 18851 1 95 . 1 1 10 10 ARG CA C 13 57.438 0.058 . 1 . . . . 10 ARG CA . 18851 1 96 . 1 1 10 10 ARG CB C 13 30.311 0.122 . 1 . . . . 10 ARG CB . 18851 1 97 . 1 1 10 10 ARG CG C 13 26.772 0.000 . 1 . . . . 10 ARG CG . 18851 1 98 . 1 1 10 10 ARG CD C 13 43.085 0.000 . 1 . . . . 10 ARG CD . 18851 1 99 . 1 1 10 10 ARG N N 15 121.650 0.040 . 1 . . . . 10 ARG N . 18851 1 100 . 1 1 11 11 ASN H H 1 8.553 0.002 . 1 . . . . 11 ASN H . 18851 1 101 . 1 1 11 11 ASN HA H 1 4.633 0.034 . 1 . . . . 11 ASN HA . 18851 1 102 . 1 1 11 11 ASN HB2 H 1 2.762 0.072 . 1 . . . . 11 ASN HB2 . 18851 1 103 . 1 1 11 11 ASN HB3 H 1 2.762 0.072 . 1 . . . . 11 ASN HB3 . 18851 1 104 . 1 1 11 11 ASN HD21 H 1 7.775 0.000 . 1 . . . . 11 ASN HD21 . 18851 1 105 . 1 1 11 11 ASN HD22 H 1 7.098 0.000 . 1 . . . . 11 ASN HD22 . 18851 1 106 . 1 1 11 11 ASN C C 13 176.216 0.000 . 1 . . . . 11 ASN C . 18851 1 107 . 1 1 11 11 ASN CB C 13 38.221 0.156 . 1 . . . . 11 ASN CB . 18851 1 108 . 1 1 11 11 ASN N N 15 119.602 0.067 . 1 . . . . 11 ASN N . 18851 1 109 . 1 1 11 11 ASN ND2 N 15 113.266 0.000 . 1 . . . . 11 ASN ND2 . 18851 1 110 . 1 1 12 12 ARG H H 1 8.324 0.003 . 1 . . . . 12 ARG H . 18851 1 111 . 1 1 12 12 ARG HA H 1 4.206 0.009 . 1 . . . . 12 ARG HA . 18851 1 112 . 1 1 12 12 ARG HB2 H 1 1.884 0.000 . 1 . . . . 12 ARG HB2 . 18851 1 113 . 1 1 12 12 ARG HB3 H 1 1.884 0.000 . 1 . . . . 12 ARG HB3 . 18851 1 114 . 1 1 12 12 ARG HG2 H 1 1.734 0.000 . 1 . . . . 12 ARG HG2 . 18851 1 115 . 1 1 12 12 ARG HG3 H 1 1.734 0.000 . 1 . . . . 12 ARG HG3 . 18851 1 116 . 1 1 12 12 ARG HD2 H 1 3.171 0.000 . 1 . . . . 12 ARG HD2 . 18851 1 117 . 1 1 12 12 ARG HD3 H 1 3.171 0.000 . 1 . . . . 12 ARG HD3 . 18851 1 118 . 1 1 12 12 ARG C C 13 177.534 0.000 . 1 . . . . 12 ARG C . 18851 1 119 . 1 1 12 12 ARG CA C 13 57.568 0.031 . 1 . . . . 12 ARG CA . 18851 1 120 . 1 1 12 12 ARG CB C 13 30.187 0.022 . 1 . . . . 12 ARG CB . 18851 1 121 . 1 1 12 12 ARG CG C 13 26.758 0.000 . 1 . . . . 12 ARG CG . 18851 1 122 . 1 1 12 12 ARG CD C 13 43.051 0.000 . 1 . . . . 12 ARG CD . 18851 1 123 . 1 1 12 12 ARG N N 15 121.578 0.040 . 1 . . . . 12 ARG N . 18851 1 124 . 1 1 13 13 ARG H H 1 8.350 0.002 . 1 . . . . 13 ARG H . 18851 1 125 . 1 1 13 13 ARG HA H 1 4.284 0.009 . 1 . . . . 13 ARG HA . 18851 1 126 . 1 1 13 13 ARG HB2 H 1 1.907 0.000 . 1 . . . . 13 ARG HB2 . 18851 1 127 . 1 1 13 13 ARG HB3 H 1 1.907 0.000 . 1 . . . . 13 ARG HB3 . 18851 1 128 . 1 1 13 13 ARG HG2 H 1 1.677 0.000 . 1 . . . . 13 ARG HG2 . 18851 1 129 . 1 1 13 13 ARG HG3 H 1 1.677 0.000 . 1 . . . . 13 ARG HG3 . 18851 1 130 . 1 1 13 13 ARG HD2 H 1 3.210 0.000 . 1 . . . . 13 ARG HD2 . 18851 1 131 . 1 1 13 13 ARG HD3 H 1 3.210 0.000 . 1 . . . . 13 ARG HD3 . 18851 1 132 . 1 1 13 13 ARG C C 13 177.682 0.000 . 1 . . . . 13 ARG C . 18851 1 133 . 1 1 13 13 ARG CA C 13 57.385 0.056 . 1 . . . . 13 ARG CA . 18851 1 134 . 1 1 13 13 ARG CB C 13 30.221 0.010 . 1 . . . . 13 ARG CB . 18851 1 135 . 1 1 13 13 ARG CG C 13 26.778 0.000 . 1 . . . . 13 ARG CG . 18851 1 136 . 1 1 13 13 ARG CD C 13 43.087 0.000 . 1 . . . . 13 ARG CD . 18851 1 137 . 1 1 13 13 ARG N N 15 121.272 0.055 . 1 . . . . 13 ARG N . 18851 1 138 . 1 1 14 14 ARG H H 1 8.377 0.002 . 1 . . . . 14 ARG H . 18851 1 139 . 1 1 14 14 ARG HA H 1 4.200 0.004 . 1 . . . . 14 ARG HA . 18851 1 140 . 1 1 14 14 ARG HB2 H 1 1.865 0.000 . 1 . . . . 14 ARG HB2 . 18851 1 141 . 1 1 14 14 ARG HB3 H 1 1.865 0.000 . 1 . . . . 14 ARG HB3 . 18851 1 142 . 1 1 14 14 ARG HG2 H 1 1.640 0.000 . 1 . . . . 14 ARG HG2 . 18851 1 143 . 1 1 14 14 ARG HG3 H 1 1.640 0.000 . 1 . . . . 14 ARG HG3 . 18851 1 144 . 1 1 14 14 ARG HD2 H 1 3.163 0.000 . 1 . . . . 14 ARG HD2 . 18851 1 145 . 1 1 14 14 ARG HD3 H 1 3.163 0.000 . 1 . . . . 14 ARG HD3 . 18851 1 146 . 1 1 14 14 ARG C C 13 177.531 0.000 . 1 . . . . 14 ARG C . 18851 1 147 . 1 1 14 14 ARG CA C 13 57.657 0.053 . 1 . . . . 14 ARG CA . 18851 1 148 . 1 1 14 14 ARG CB C 13 30.103 0.094 . 1 . . . . 14 ARG CB . 18851 1 149 . 1 1 14 14 ARG CG C 13 26.667 0.000 . 1 . . . . 14 ARG CG . 18851 1 150 . 1 1 14 14 ARG CD C 13 43.070 0.000 . 1 . . . . 14 ARG CD . 18851 1 151 . 1 1 14 14 ARG N N 15 121.697 0.067 . 1 . . . . 14 ARG N . 18851 1 152 . 1 1 15 15 ARG H H 1 8.440 0.002 . 1 . . . . 15 ARG H . 18851 1 153 . 1 1 15 15 ARG HA H 1 4.226 0.012 . 1 . . . . 15 ARG HA . 18851 1 154 . 1 1 15 15 ARG HB2 H 1 1.857 0.000 . 1 . . . . 15 ARG HB2 . 18851 1 155 . 1 1 15 15 ARG HB3 H 1 1.857 0.000 . 1 . . . . 15 ARG HB3 . 18851 1 156 . 1 1 15 15 ARG HG2 H 1 1.620 0.000 . 1 . . . . 15 ARG HG2 . 18851 1 157 . 1 1 15 15 ARG HG3 H 1 1.620 0.000 . 1 . . . . 15 ARG HG3 . 18851 1 158 . 1 1 15 15 ARG C C 13 177.499 0.000 . 1 . . . . 15 ARG C . 18851 1 159 . 1 1 15 15 ARG CA C 13 57.439 0.075 . 1 . . . . 15 ARG CA . 18851 1 160 . 1 1 15 15 ARG CB C 13 30.052 0.036 . 1 . . . . 15 ARG CB . 18851 1 161 . 1 1 15 15 ARG CG C 13 26.813 0.000 . 1 . . . . 15 ARG CG . 18851 1 162 . 1 1 15 15 ARG CD C 13 43.053 0.000 . 1 . . . . 15 ARG CD . 18851 1 163 . 1 1 15 15 ARG N N 15 120.796 0.048 . 1 . . . . 15 ARG N . 18851 1 164 . 1 1 16 16 TRP H H 1 8.292 0.003 . 1 . . . . 16 TRP H . 18851 1 165 . 1 1 16 16 TRP HA H 1 4.465 0.021 . 1 . . . . 16 TRP HA . 18851 1 166 . 1 1 16 16 TRP HB2 H 1 3.277 0.042 . 1 . . . . 16 TRP HB2 . 18851 1 167 . 1 1 16 16 TRP HB3 H 1 3.379 0.000 . 1 . . . . 16 TRP HB3 . 18851 1 168 . 1 1 16 16 TRP HD1 H 1 7.038 0.000 . 1 . . . . 16 TRP HD1 . 18851 1 169 . 1 1 16 16 TRP HE3 H 1 7.112 0.000 . 1 . . . . 16 TRP HE3 . 18851 1 170 . 1 1 16 16 TRP HZ2 H 1 7.226 0.000 . 1 . . . . 16 TRP HZ2 . 18851 1 171 . 1 1 16 16 TRP HZ3 H 1 6.964 0.000 . 1 . . . . 16 TRP HZ3 . 18851 1 172 . 1 1 16 16 TRP HH2 H 1 6.872 0.000 . 1 . . . . 16 TRP HH2 . 18851 1 173 . 1 1 16 16 TRP C C 13 177.419 0.000 . 1 . . . . 16 TRP C . 18851 1 174 . 1 1 16 16 TRP CA C 13 59.229 0.105 . 1 . . . . 16 TRP CA . 18851 1 175 . 1 1 16 16 TRP CB C 13 29.047 0.156 . 1 . . . . 16 TRP CB . 18851 1 176 . 1 1 16 16 TRP CD1 C 13 125.065 0.000 . 1 . . . . 16 TRP CD1 . 18851 1 177 . 1 1 16 16 TRP CE3 C 13 120.328 0.000 . 1 . . . . 16 TRP CE3 . 18851 1 178 . 1 1 16 16 TRP CZ2 C 13 112.274 0.000 . 1 . . . . 16 TRP CZ2 . 18851 1 179 . 1 1 16 16 TRP CZ3 C 13 122.347 0.000 . 1 . . . . 16 TRP CZ3 . 18851 1 180 . 1 1 16 16 TRP CH2 C 13 119.550 0.000 . 1 . . . . 16 TRP CH2 . 18851 1 181 . 1 1 16 16 TRP N N 15 121.773 0.064 . 1 . . . . 16 TRP N . 18851 1 182 . 1 1 17 17 ARG H H 1 8.252 0.005 . 1 . . . . 17 ARG H . 18851 1 183 . 1 1 17 17 ARG HA H 1 3.929 0.032 . 1 . . . . 17 ARG HA . 18851 1 184 . 1 1 17 17 ARG HB2 H 1 1.592 0.080 . 1 . . . . 17 ARG HB2 . 18851 1 185 . 1 1 17 17 ARG HB3 H 1 1.592 0.080 . 1 . . . . 17 ARG HB3 . 18851 1 186 . 1 1 17 17 ARG HD2 H 1 3.125 0.000 . 1 . . . . 17 ARG HD2 . 18851 1 187 . 1 1 17 17 ARG HD3 H 1 3.054 0.050 . 1 . . . . 17 ARG HD3 . 18851 1 188 . 1 1 17 17 ARG C C 13 177.626 0.000 . 1 . . . . 17 ARG C . 18851 1 189 . 1 1 17 17 ARG CA C 13 57.694 0.072 . 1 . . . . 17 ARG CA . 18851 1 190 . 1 1 17 17 ARG CB C 13 30.318 0.152 . 1 . . . . 17 ARG CB . 18851 1 191 . 1 1 17 17 ARG CG C 13 26.649 0.000 . 1 . . . . 17 ARG CG . 18851 1 192 . 1 1 17 17 ARG CD C 13 43.049 0.000 . 1 . . . . 17 ARG CD . 18851 1 193 . 1 1 17 17 ARG N N 15 121.304 0.037 . 1 . . . . 17 ARG N . 18851 1 194 . 1 1 18 18 GLU H H 1 8.275 0.003 . 1 . . . . 18 GLU H . 18851 1 195 . 1 1 18 18 GLU HA H 1 4.042 0.031 . 1 . . . . 18 GLU HA . 18851 1 196 . 1 1 18 18 GLU HB2 H 1 1.847 0.078 . 1 . . . . 18 GLU HB2 . 18851 1 197 . 1 1 18 18 GLU HB3 H 1 1.847 0.078 . 1 . . . . 18 GLU HB3 . 18851 1 198 . 1 1 18 18 GLU HG2 H 1 2.169 0.079 . 1 . . . . 18 GLU HG2 . 18851 1 199 . 1 1 18 18 GLU HG3 H 1 2.157 0.083 . 1 . . . . 18 GLU HG3 . 18851 1 200 . 1 1 18 18 GLU C C 13 177.806 0.000 . 1 . . . . 18 GLU C . 18851 1 201 . 1 1 18 18 GLU CA C 13 57.663 0.085 . 1 . . . . 18 GLU CA . 18851 1 202 . 1 1 18 18 GLU CB C 13 29.609 0.130 . 1 . . . . 18 GLU CB . 18851 1 203 . 1 1 18 18 GLU CG C 13 36.279 0.179 . 1 . . . . 18 GLU CG . 18851 1 204 . 1 1 18 18 GLU N N 15 120.426 0.028 . 1 . . . . 18 GLU N . 18851 1 205 . 1 1 19 19 ARG H H 1 8.198 0.002 . 1 . . . . 19 ARG H . 18851 1 206 . 1 1 19 19 ARG HA H 1 4.180 0.014 . 1 . . . . 19 ARG HA . 18851 1 207 . 1 1 19 19 ARG HB2 H 1 1.836 0.000 . 1 . . . . 19 ARG HB2 . 18851 1 208 . 1 1 19 19 ARG HB3 H 1 1.836 0.000 . 1 . . . . 19 ARG HB3 . 18851 1 209 . 1 1 19 19 ARG HG2 H 1 1.621 0.000 . 1 . . . . 19 ARG HG2 . 18851 1 210 . 1 1 19 19 ARG HG3 H 1 1.621 0.000 . 1 . . . . 19 ARG HG3 . 18851 1 211 . 1 1 19 19 ARG HD2 H 1 3.164 0.000 . 1 . . . . 19 ARG HD2 . 18851 1 212 . 1 1 19 19 ARG HD3 H 1 3.164 0.000 . 1 . . . . 19 ARG HD3 . 18851 1 213 . 1 1 19 19 ARG C C 13 177.528 0.000 . 1 . . . . 19 ARG C . 18851 1 214 . 1 1 19 19 ARG CA C 13 57.372 0.076 . 1 . . . . 19 ARG CA . 18851 1 215 . 1 1 19 19 ARG CB C 13 30.113 0.075 . 1 . . . . 19 ARG CB . 18851 1 216 . 1 1 19 19 ARG CG C 13 26.868 0.000 . 1 . . . . 19 ARG CG . 18851 1 217 . 1 1 19 19 ARG CD C 13 43.082 0.000 . 1 . . . . 19 ARG CD . 18851 1 218 . 1 1 19 19 ARG N N 15 121.100 0.036 . 1 . . . . 19 ARG N . 18851 1 219 . 1 1 20 20 GLN H H 1 8.243 0.002 . 1 . . . . 20 GLN H . 18851 1 220 . 1 1 20 20 GLN HA H 1 4.081 0.026 . 1 . . . . 20 GLN HA . 18851 1 221 . 1 1 20 20 GLN HB2 H 1 1.786 0.084 . 1 . . . . 20 GLN HB2 . 18851 1 222 . 1 1 20 20 GLN HB3 H 1 1.743 0.102 . 1 . . . . 20 GLN HB3 . 18851 1 223 . 1 1 20 20 GLN HG2 H 1 1.952 0.089 . 1 . . . . 20 GLN HG2 . 18851 1 224 . 1 1 20 20 GLN HG3 H 1 1.952 0.089 . 1 . . . . 20 GLN HG3 . 18851 1 225 . 1 1 20 20 GLN HE21 H 1 7.321 0.000 . 1 . . . . 20 GLN HE21 . 18851 1 226 . 1 1 20 20 GLN HE22 H 1 6.850 0.000 . 1 . . . . 20 GLN HE22 . 18851 1 227 . 1 1 20 20 GLN C C 13 177.040 0.000 . 1 . . . . 20 GLN C . 18851 1 228 . 1 1 20 20 GLN CA C 13 56.564 0.087 . 1 . . . . 20 GLN CA . 18851 1 229 . 1 1 20 20 GLN CB C 13 28.786 0.119 . 1 . . . . 20 GLN CB . 18851 1 230 . 1 1 20 20 GLN CG C 13 33.392 0.164 . 1 . . . . 20 GLN CG . 18851 1 231 . 1 1 20 20 GLN N N 15 120.468 0.040 . 1 . . . . 20 GLN N . 18851 1 232 . 1 1 20 20 GLN NE2 N 15 112.948 0.000 . 1 . . . . 20 GLN NE2 . 18851 1 233 . 1 1 21 21 ARG H H 1 8.255 0.003 . 1 . . . . 21 ARG H . 18851 1 234 . 1 1 21 21 ARG HA H 1 4.199 0.002 . 1 . . . . 21 ARG HA . 18851 1 235 . 1 1 21 21 ARG HB2 H 1 1.823 0.000 . 1 . . . . 21 ARG HB2 . 18851 1 236 . 1 1 21 21 ARG HB3 H 1 1.823 0.000 . 1 . . . . 21 ARG HB3 . 18851 1 237 . 1 1 21 21 ARG HG2 H 1 1.687 0.000 . 1 . . . . 21 ARG HG2 . 18851 1 238 . 1 1 21 21 ARG HG3 H 1 1.687 0.000 . 1 . . . . 21 ARG HG3 . 18851 1 239 . 1 1 21 21 ARG HD2 H 1 3.196 0.000 . 1 . . . . 21 ARG HD2 . 18851 1 240 . 1 1 21 21 ARG HD3 H 1 3.196 0.000 . 1 . . . . 21 ARG HD3 . 18851 1 241 . 1 1 21 21 ARG C C 13 176.990 0.000 . 1 . . . . 21 ARG C . 18851 1 242 . 1 1 21 21 ARG CA C 13 56.890 0.088 . 1 . . . . 21 ARG CA . 18851 1 243 . 1 1 21 21 ARG CB C 13 30.404 0.060 . 1 . . . . 21 ARG CB . 18851 1 244 . 1 1 21 21 ARG CG C 13 26.523 0.000 . 1 . . . . 21 ARG CG . 18851 1 245 . 1 1 21 21 ARG CD C 13 42.968 0.000 . 1 . . . . 21 ARG CD . 18851 1 246 . 1 1 21 21 ARG N N 15 121.778 0.047 . 1 . . . . 21 ARG N . 18851 1 247 . 1 1 22 22 ALA H H 1 8.263 0.001 . 1 . . . . 22 ALA H . 18851 1 248 . 1 1 22 22 ALA HA H 1 4.211 0.030 . 1 . . . . 22 ALA HA . 18851 1 249 . 1 1 22 22 ALA HB1 H 1 1.222 0.137 . 1 . . . . 22 ALA HB1 . 18851 1 250 . 1 1 22 22 ALA HB2 H 1 1.222 0.137 . 1 . . . . 22 ALA HB2 . 18851 1 251 . 1 1 22 22 ALA HB3 H 1 1.222 0.137 . 1 . . . . 22 ALA HB3 . 18851 1 252 . 1 1 22 22 ALA C C 13 178.179 0.000 . 1 . . . . 22 ALA C . 18851 1 253 . 1 1 22 22 ALA CA C 13 52.882 0.064 . 1 . . . . 22 ALA CA . 18851 1 254 . 1 1 22 22 ALA CB C 13 18.646 0.201 . 1 . . . . 22 ALA CB . 18851 1 255 . 1 1 22 22 ALA N N 15 124.295 0.033 . 1 . . . . 22 ALA N . 18851 1 256 . 1 1 23 23 ALA H H 1 8.174 0.002 . 1 . . . . 23 ALA H . 18851 1 257 . 1 1 23 23 ALA HA H 1 4.239 0.010 . 1 . . . . 23 ALA HA . 18851 1 258 . 1 1 23 23 ALA HB1 H 1 1.258 0.147 . 1 . . . . 23 ALA HB1 . 18851 1 259 . 1 1 23 23 ALA HB2 H 1 1.258 0.147 . 1 . . . . 23 ALA HB2 . 18851 1 260 . 1 1 23 23 ALA HB3 H 1 1.258 0.147 . 1 . . . . 23 ALA HB3 . 18851 1 261 . 1 1 23 23 ALA C C 13 177.849 0.000 . 1 . . . . 23 ALA C . 18851 1 262 . 1 1 23 23 ALA CA C 13 52.652 0.090 . 1 . . . . 23 ALA CA . 18851 1 263 . 1 1 23 23 ALA CB C 13 18.641 0.113 . 1 . . . . 23 ALA CB . 18851 1 264 . 1 1 23 23 ALA N N 15 122.589 0.038 . 1 . . . . 23 ALA N . 18851 1 265 . 1 1 24 24 ALA H H 1 8.101 0.001 . 1 . . . . 24 ALA H . 18851 1 266 . 1 1 24 24 ALA HA H 1 4.280 0.006 . 1 . . . . 24 ALA HA . 18851 1 267 . 1 1 24 24 ALA HB1 H 1 1.294 0.121 . 1 . . . . 24 ALA HB1 . 18851 1 268 . 1 1 24 24 ALA HB2 H 1 1.294 0.121 . 1 . . . . 24 ALA HB2 . 18851 1 269 . 1 1 24 24 ALA HB3 H 1 1.294 0.121 . 1 . . . . 24 ALA HB3 . 18851 1 270 . 1 1 24 24 ALA C C 13 177.453 0.000 . 1 . . . . 24 ALA C . 18851 1 271 . 1 1 24 24 ALA CA C 13 52.257 0.031 . 1 . . . . 24 ALA CA . 18851 1 272 . 1 1 24 24 ALA CB C 13 18.899 0.101 . 1 . . . . 24 ALA CB . 18851 1 273 . 1 1 24 24 ALA N N 15 122.410 0.034 . 1 . . . . 24 ALA N . 18851 1 274 . 1 1 25 25 ALA H H 1 8.169 0.001 . 1 . . . . 25 ALA H . 18851 1 275 . 1 1 25 25 ALA HA H 1 4.316 0.001 . 1 . . . . 25 ALA HA . 18851 1 276 . 1 1 25 25 ALA HB1 H 1 1.413 0.000 . 1 . . . . 25 ALA HB1 . 18851 1 277 . 1 1 25 25 ALA HB2 H 1 1.413 0.000 . 1 . . . . 25 ALA HB2 . 18851 1 278 . 1 1 25 25 ALA HB3 H 1 1.413 0.000 . 1 . . . . 25 ALA HB3 . 18851 1 279 . 1 1 25 25 ALA C C 13 176.875 0.000 . 1 . . . . 25 ALA C . 18851 1 280 . 1 1 25 25 ALA CA C 13 52.334 0.049 . 1 . . . . 25 ALA CA . 18851 1 281 . 1 1 25 25 ALA CB C 13 18.891 0.114 . 1 . . . . 25 ALA CB . 18851 1 282 . 1 1 25 25 ALA N N 15 123.688 0.028 . 1 . . . . 25 ALA N . 18851 1 283 . 1 1 26 26 ARG H H 1 7.955 0.003 . 1 . . . . 26 ARG H . 18851 1 284 . 1 1 26 26 ARG HA H 1 4.157 0.004 . 1 . . . . 26 ARG HA . 18851 1 285 . 1 1 26 26 ARG HB2 H 1 1.808 0.000 . 1 . . . . 26 ARG HB2 . 18851 1 286 . 1 1 26 26 ARG HB3 H 1 1.808 0.000 . 1 . . . . 26 ARG HB3 . 18851 1 287 . 1 1 26 26 ARG HG2 H 1 1.690 0.000 . 1 . . . . 26 ARG HG2 . 18851 1 288 . 1 1 26 26 ARG HG3 H 1 1.690 0.000 . 1 . . . . 26 ARG HG3 . 18851 1 289 . 1 1 26 26 ARG HD2 H 1 3.208 0.000 . 1 . . . . 26 ARG HD2 . 18851 1 290 . 1 1 26 26 ARG HD3 H 1 3.208 0.000 . 1 . . . . 26 ARG HD3 . 18851 1 291 . 1 1 26 26 ARG CA C 13 57.299 0.017 . 1 . . . . 26 ARG CA . 18851 1 292 . 1 1 26 26 ARG CB C 13 31.155 0.000 . 1 . . . . 26 ARG CB . 18851 1 293 . 1 1 26 26 ARG N N 15 125.581 0.043 . 1 . . . . 26 ARG N . 18851 1 stop_ save_