data_18852 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18852 _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 NMR' _Entry.Details ; The data presented are for the Rev arginine-rich motif (ARM), which comprises native residues 34-50 of the HIV-1 Rev protein and constitutes the protein RNA-binding domain and nuclear import signal. This NMR structure was solved in a 50% TFE/aqueous buffer mixture. ; _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 . . . 18852 2 Brendan Duggan . M. . 18852 3 Mirko Hennig . . . 18852 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18852 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'arginine-rich motif' . 18852 HIV . 18852 Rev . 18852 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18852 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 100 18852 '15N chemical shifts' 28 18852 '1H chemical shifts' 174 18852 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 . 18852 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18851 'HIV-1 Rev ARM single polypeptide chain' 18852 PDB 1ETG . 18852 PDB 1RPV . 18852 PDB 2M1A 'BMRB Entry Tracking System' 18852 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18852 _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 . . . 18852 1 2 Brendan Duggan . M. . 18852 1 3 Mirko Hennig . . . 18852 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18852 _Assembly.ID 1 _Assembly.Name 'HIV-1 Rev ARM peptide (residues T34-R50)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HIV-1 Rev ARM peptide (residues T34-R50)' 1 $Rev_ARM_peptide A . yes native no no . . . 18852 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rev_ARM_peptide _Entity.Sf_category entity _Entity.Sf_framecode Rev_ARM_peptide _Entity.Entry_ID 18852 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rev_ARM_peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _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 man _Entity.Parent_entity_ID . _Entity.Fragment 'HIV-1 Rev arginine-rich motif (ARM)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3219.751 _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 18851 . HIV-1_Rev_ARM . . . . . 100.00 26 100.00 100.00 5.78e-05 . . . . 18852 1 no PDB 2M1A . "Hiv-1 Rev Arm Peptide (residues T34-r50)" . . . . . 100.00 26 100.00 100.00 5.78e-05 . . . . 18852 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 . 18852 1 2 . ALA . 18852 1 3 . MET . 18852 1 4 . ALA . 18852 1 5 . THR . 18852 1 6 . ARG . 18852 1 7 . GLN . 18852 1 8 . ALA . 18852 1 9 . ARG . 18852 1 10 . ARG . 18852 1 11 . ASN . 18852 1 12 . ARG . 18852 1 13 . ARG . 18852 1 14 . ARG . 18852 1 15 . ARG . 18852 1 16 . TRP . 18852 1 17 . ARG . 18852 1 18 . GLU . 18852 1 19 . ARG . 18852 1 20 . GLN . 18852 1 21 . ARG . 18852 1 22 . ALA . 18852 1 23 . ALA . 18852 1 24 . ALA . 18852 1 25 . ALA . 18852 1 26 . ARG . 18852 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 18852 1 . ALA 2 2 18852 1 . MET 3 3 18852 1 . ALA 4 4 18852 1 . THR 5 5 18852 1 . ARG 6 6 18852 1 . GLN 7 7 18852 1 . ALA 8 8 18852 1 . ARG 9 9 18852 1 . ARG 10 10 18852 1 . ASN 11 11 18852 1 . ARG 12 12 18852 1 . ARG 13 13 18852 1 . ARG 14 14 18852 1 . ARG 15 15 18852 1 . TRP 16 16 18852 1 . ARG 17 17 18852 1 . GLU 18 18 18852 1 . ARG 19 19 18852 1 . GLN 20 20 18852 1 . ARG 21 21 18852 1 . ALA 22 22 18852 1 . ALA 23 23 18852 1 . ALA 24 24 18852 1 . ALA 25 25 18852 1 . ARG 26 26 18852 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 18852 _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 $Rev_ARM_peptide . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18852 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 18852 _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 $Rev_ARM_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . 'p(H)GB1-derived vector' . . . 'Expression controlled with the T7 lac promoter' . . 18852 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 18852 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N labelled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 'Rev ARM peptide' [U-15N] . . 1 $Rev_ARM_peptide . . 1.0 . . mM . . . . 18852 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18852 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18852 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18852 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18852 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18852 1 7 D2O '[U-99% 2H]' . . . . . . 10.0 . . % . . . . 18852 1 8 H2O 'natural abundance' . . . . . . 40.0 . . % . . . . 18852 1 9 TFE 'natural abundance' . . . . . . 50.0 . . % . . . . 18852 1 stop_ save_ save_Rev_ARM_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode Rev_ARM_15N-13C _Sample.Entry_ID 18852 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N,13C labelled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 'Rev ARM peptide' '[U-13C; U-15N]' . . 1 $Rev_ARM_peptide . . 1.0 . . mM . . . . 18852 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18852 2 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18852 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18852 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18852 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18852 2 7 D2O '[U-99% 2H]' . . . . . . 10.0 . . % . . . . 18852 2 8 H2O 'natural abundance' . . . . . . 40.0 . . % . . . . 18852 2 9 TFE '[U-99% 2H]' . . . . . . 50.0 . . % . . . . 18852 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 18852 _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 18852 1 temperature 283 . K 18852 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18852 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18852 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18852 1 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18852 _Software.ID 2 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18852 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18852 2 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 18852 _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 18852 _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 18852 _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 18852 _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 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' 1 $citations 18852 1 2 NMR_spectrometer 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' . . 18852 1 3 NMR_spectrometer Bruker Avance . 600 'Equipped with a conventional 5mm 1H[13C/15N] triple resonance probe' . . 18852 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 18852 _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 . . . . . . . . . . . . . . . . . . . . . 18852 1 2 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $Rev_ARM_15N isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 4 '3D HNCO' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 5 '3D HNCA' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 8 '3D HNCACB' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Rev_ARM_15N isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $Rev_ARM_15N-13C isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 1 14 '3D HNHA' no . . . . . . . . . . 1 $Rev_ARM_15N isotropic . . 1 $Experiments_at_283K . . . . . . . . . . . . . . . . . . . . . 18852 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 18852 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'External DSS referencing for proton, 15N and 13C by frequency ratio' 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 na indirect 0.251449530 . . . . . . . . . 18852 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 18852 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18852 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 18852 _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' . . . 18852 1 2 '2D 1H-15N HSQC NH2 only' . . . 18852 1 3 '2D 1H-13C HSQC' . . . 18852 1 4 '3D HNCO' . . . 18852 1 5 '3D HNCA' . . . 18852 1 6 '3D HN(CO)CA' . . . 18852 1 7 '3D CBCA(CO)NH' . . . 18852 1 8 '3D HNCACB' . . . 18852 1 9 '3D HBHA(CO)NH' . . . 18852 1 10 '3D H(CCO)NH' . . . 18852 1 13 '3D HCCH-TOCSY' . . . 18852 1 14 '3D HNHA' . . . 18852 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 HA H 1 4.239 0.000 . 1 . . . A 2 ALA HA . 18852 1 2 . 1 1 2 2 ALA HB1 H 1 1.507 0.002 . 1 . . . A 2 ALA HB1 . 18852 1 3 . 1 1 2 2 ALA HB2 H 1 1.507 0.002 . 1 . . . A 2 ALA HB2 . 18852 1 4 . 1 1 2 2 ALA HB3 H 1 1.507 0.002 . 1 . . . A 2 ALA HB3 . 18852 1 5 . 1 1 2 2 ALA C C 13 179.180 0.000 . 1 . . . A 2 ALA C . 18852 1 6 . 1 1 2 2 ALA CA C 13 54.532 0.000 . 1 . . . A 2 ALA CA . 18852 1 7 . 1 1 2 2 ALA CB C 13 18.397 0.000 . 1 . . . A 2 ALA CB . 18852 1 8 . 1 1 3 3 MET H H 1 8.613 0.004 . 1 . . . A 3 MET H . 18852 1 9 . 1 1 3 3 MET HA H 1 4.354 0.008 . 1 . . . A 3 MET HA . 18852 1 10 . 1 1 3 3 MET HB2 H 1 2.146 0.015 . 2 . . . A 3 MET HB2 . 18852 1 11 . 1 1 3 3 MET HB3 H 1 2.156 0.015 . 2 . . . A 3 MET HB3 . 18852 1 12 . 1 1 3 3 MET HG2 H 1 2.620 0.005 . 2 . . . A 3 MET HG2 . 18852 1 13 . 1 1 3 3 MET HG3 H 1 2.691 0.003 . 2 . . . A 3 MET HG3 . 18852 1 14 . 1 1 3 3 MET HE1 H 1 2.128 0.009 . 1 . . . A 3 MET HE1 . 18852 1 15 . 1 1 3 3 MET HE2 H 1 2.128 0.009 . 1 . . . A 3 MET HE2 . 18852 1 16 . 1 1 3 3 MET HE3 H 1 2.128 0.009 . 1 . . . A 3 MET HE3 . 18852 1 17 . 1 1 3 3 MET C C 13 177.926 0.000 . 1 . . . A 3 MET C . 18852 1 18 . 1 1 3 3 MET CA C 13 57.876 0.046 . 1 . . . A 3 MET CA . 18852 1 19 . 1 1 3 3 MET CB C 13 31.673 0.064 . 1 . . . A 3 MET CB . 18852 1 20 . 1 1 3 3 MET CG C 13 32.225 0.031 . 1 . . . A 3 MET CG . 18852 1 21 . 1 1 3 3 MET CE C 13 16.529 0.000 . 1 . . . A 3 MET CE . 18852 1 22 . 1 1 3 3 MET N N 15 117.814 0.040 . 1 . . . A 3 MET N . 18852 1 23 . 1 1 4 4 ALA H H 1 8.324 0.009 . 1 . . . A 4 ALA H . 18852 1 24 . 1 1 4 4 ALA HA H 1 4.228 0.014 . 1 . . . A 4 ALA HA . 18852 1 25 . 1 1 4 4 ALA HB1 H 1 1.537 0.006 . 1 . . . A 4 ALA HB1 . 18852 1 26 . 1 1 4 4 ALA HB2 H 1 1.537 0.006 . 1 . . . A 4 ALA HB2 . 18852 1 27 . 1 1 4 4 ALA HB3 H 1 1.537 0.006 . 1 . . . A 4 ALA HB3 . 18852 1 28 . 1 1 4 4 ALA C C 13 179.940 0.000 . 1 . . . A 4 ALA C . 18852 1 29 . 1 1 4 4 ALA CA C 13 54.689 0.045 . 1 . . . A 4 ALA CA . 18852 1 30 . 1 1 4 4 ALA CB C 13 18.025 0.066 . 1 . . . A 4 ALA CB . 18852 1 31 . 1 1 4 4 ALA N N 15 122.603 0.025 . 1 . . . A 4 ALA N . 18852 1 32 . 1 1 5 5 THR H H 1 7.966 0.010 . 1 . . . A 5 THR H . 18852 1 33 . 1 1 5 5 THR HA H 1 4.121 0.010 . 1 . . . A 5 THR HA . 18852 1 34 . 1 1 5 5 THR HB H 1 4.379 0.009 . 1 . . . A 5 THR HB . 18852 1 35 . 1 1 5 5 THR HG21 H 1 1.294 0.011 . 1 . . . A 5 THR HG21 . 18852 1 36 . 1 1 5 5 THR HG22 H 1 1.294 0.011 . 1 . . . A 5 THR HG22 . 18852 1 37 . 1 1 5 5 THR HG23 H 1 1.294 0.011 . 1 . . . A 5 THR HG23 . 18852 1 38 . 1 1 5 5 THR C C 13 176.085 0.000 . 1 . . . A 5 THR C . 18852 1 39 . 1 1 5 5 THR CA C 13 65.053 0.071 . 1 . . . A 5 THR CA . 18852 1 40 . 1 1 5 5 THR CB C 13 68.989 0.034 . 1 . . . A 5 THR CB . 18852 1 41 . 1 1 5 5 THR CG2 C 13 21.462 0.018 . 1 . . . A 5 THR CG2 . 18852 1 42 . 1 1 5 5 THR N N 15 112.671 0.060 . 1 . . . A 5 THR N . 18852 1 43 . 1 1 6 6 ARG H H 1 8.244 0.012 . 1 . . . A 6 ARG H . 18852 1 44 . 1 1 6 6 ARG HA H 1 4.057 0.015 . 1 . . . A 6 ARG HA . 18852 1 45 . 1 1 6 6 ARG HB2 H 1 2.016 0.014 . 1 . . . A 6 ARG HB2 . 18852 1 46 . 1 1 6 6 ARG HB3 H 1 2.016 0.014 . 1 . . . A 6 ARG HB3 . 18852 1 47 . 1 1 6 6 ARG HG2 H 1 1.667 0.017 . 1 . . . A 6 ARG HG2 . 18852 1 48 . 1 1 6 6 ARG HG3 H 1 1.667 0.017 . 1 . . . A 6 ARG HG3 . 18852 1 49 . 1 1 6 6 ARG HD2 H 1 3.219 0.014 . 1 . . . A 6 ARG HD2 . 18852 1 50 . 1 1 6 6 ARG HD3 H 1 3.219 0.014 . 1 . . . A 6 ARG HD3 . 18852 1 51 . 1 1 6 6 ARG C C 13 178.983 0.000 . 1 . . . A 6 ARG C . 18852 1 52 . 1 1 6 6 ARG CA C 13 59.963 0.028 . 1 . . . A 6 ARG CA . 18852 1 53 . 1 1 6 6 ARG CB C 13 29.853 0.000 . 1 . . . A 6 ARG CB . 18852 1 54 . 1 1 6 6 ARG CG C 13 27.621 0.024 . 1 . . . A 6 ARG CG . 18852 1 55 . 1 1 6 6 ARG N N 15 122.300 0.034 . 1 . . . A 6 ARG N . 18852 1 56 . 1 1 7 7 GLN H H 1 8.424 0.006 . 1 . . . A 7 GLN H . 18852 1 57 . 1 1 7 7 GLN HA H 1 4.058 0.012 . 1 . . . A 7 GLN HA . 18852 1 58 . 1 1 7 7 GLN HB2 H 1 2.163 0.011 . 2 . . . A 7 GLN HB2 . 18852 1 59 . 1 1 7 7 GLN HB3 H 1 2.186 0.020 . 2 . . . A 7 GLN HB3 . 18852 1 60 . 1 1 7 7 GLN HG2 H 1 2.463 0.009 . 2 . . . A 7 GLN HG2 . 18852 1 61 . 1 1 7 7 GLN HG3 H 1 2.464 0.009 . 2 . . . A 7 GLN HG3 . 18852 1 62 . 1 1 7 7 GLN HE21 H 1 6.838 0.008 . 1 . . . A 7 GLN HE21 . 18852 1 63 . 1 1 7 7 GLN HE22 H 1 7.391 0.009 . 1 . . . A 7 GLN HE22 . 18852 1 64 . 1 1 7 7 GLN C C 13 177.997 0.000 . 1 . . . A 7 GLN C . 18852 1 65 . 1 1 7 7 GLN CA C 13 58.735 0.075 . 1 . . . A 7 GLN CA . 18852 1 66 . 1 1 7 7 GLN CB C 13 28.188 0.063 . 1 . . . A 7 GLN CB . 18852 1 67 . 1 1 7 7 GLN CG C 13 33.626 0.004 . 1 . . . A 7 GLN CG . 18852 1 68 . 1 1 7 7 GLN N N 15 118.940 0.044 . 1 . . . A 7 GLN N . 18852 1 69 . 1 1 7 7 GLN NE2 N 15 111.382 0.036 . 1 . . . A 7 GLN NE2 . 18852 1 70 . 1 1 8 8 ALA H H 1 8.306 0.011 . 1 . . . A 8 ALA H . 18852 1 71 . 1 1 8 8 ALA HA H 1 4.217 0.012 . 1 . . . A 8 ALA HA . 18852 1 72 . 1 1 8 8 ALA HB1 H 1 1.589 0.016 . 1 . . . A 8 ALA HB1 . 18852 1 73 . 1 1 8 8 ALA HB2 H 1 1.589 0.016 . 1 . . . A 8 ALA HB2 . 18852 1 74 . 1 1 8 8 ALA HB3 H 1 1.589 0.016 . 1 . . . A 8 ALA HB3 . 18852 1 75 . 1 1 8 8 ALA C C 13 180.837 0.000 . 1 . . . A 8 ALA C . 18852 1 76 . 1 1 8 8 ALA CA C 13 55.319 0.037 . 1 . . . A 8 ALA CA . 18852 1 77 . 1 1 8 8 ALA CB C 13 17.695 0.064 . 1 . . . A 8 ALA CB . 18852 1 78 . 1 1 8 8 ALA N N 15 122.920 0.047 . 1 . . . A 8 ALA N . 18852 1 79 . 1 1 9 9 ARG H H 1 8.263 0.011 . 1 . . . A 9 ARG H . 18852 1 80 . 1 1 9 9 ARG HA H 1 4.050 0.014 . 1 . . . A 9 ARG HA . 18852 1 81 . 1 1 9 9 ARG HB2 H 1 1.880 0.021 . 2 . . . A 9 ARG HB2 . 18852 1 82 . 1 1 9 9 ARG HB3 H 1 2.001 0.010 . 2 . . . A 9 ARG HB3 . 18852 1 83 . 1 1 9 9 ARG HG2 H 1 1.644 0.010 . 1 . . . A 9 ARG HG2 . 18852 1 84 . 1 1 9 9 ARG HG3 H 1 1.644 0.010 . 1 . . . A 9 ARG HG3 . 18852 1 85 . 1 1 9 9 ARG HD2 H 1 3.205 0.005 . 2 . . . A 9 ARG HD2 . 18852 1 86 . 1 1 9 9 ARG HD3 H 1 3.206 0.005 . 2 . . . A 9 ARG HD3 . 18852 1 87 . 1 1 9 9 ARG C C 13 178.843 0.000 . 1 . . . A 9 ARG C . 18852 1 88 . 1 1 9 9 ARG CA C 13 59.721 0.045 . 1 . . . A 9 ARG CA . 18852 1 89 . 1 1 9 9 ARG CB C 13 30.168 0.032 . 1 . . . A 9 ARG CB . 18852 1 90 . 1 1 9 9 ARG CG C 13 30.021 0.000 . 1 . . . A 9 ARG CG . 18852 1 91 . 1 1 9 9 ARG CD C 13 43.393 0.017 . 1 . . . A 9 ARG CD . 18852 1 92 . 1 1 9 9 ARG N N 15 118.721 0.031 . 1 . . . A 9 ARG N . 18852 1 93 . 1 1 10 10 ARG H H 1 8.251 0.008 . 1 . . . A 10 ARG H . 18852 1 94 . 1 1 10 10 ARG HA H 1 4.074 0.014 . 1 . . . A 10 ARG HA . 18852 1 95 . 1 1 10 10 ARG HB2 H 1 2.009 0.014 . 1 . . . A 10 ARG HB2 . 18852 1 96 . 1 1 10 10 ARG HB3 H 1 2.009 0.014 . 1 . . . A 10 ARG HB3 . 18852 1 97 . 1 1 10 10 ARG HG2 H 1 1.657 0.010 . 1 . . . A 10 ARG HG2 . 18852 1 98 . 1 1 10 10 ARG HG3 H 1 1.657 0.010 . 1 . . . A 10 ARG HG3 . 18852 1 99 . 1 1 10 10 ARG HD2 H 1 3.208 0.012 . 2 . . . A 10 ARG HD2 . 18852 1 100 . 1 1 10 10 ARG HD3 H 1 3.212 0.011 . 2 . . . A 10 ARG HD3 . 18852 1 101 . 1 1 10 10 ARG C C 13 179.024 0.000 . 1 . . . A 10 ARG C . 18852 1 102 . 1 1 10 10 ARG CA C 13 59.542 0.041 . 1 . . . A 10 ARG CA . 18852 1 103 . 1 1 10 10 ARG CB C 13 29.904 0.042 . 1 . . . A 10 ARG CB . 18852 1 104 . 1 1 10 10 ARG CG C 13 26.968 0.000 . 1 . . . A 10 ARG CG . 18852 1 105 . 1 1 10 10 ARG CD C 13 43.379 0.063 . 1 . . . A 10 ARG CD . 18852 1 106 . 1 1 10 10 ARG N N 15 120.338 0.044 . 1 . . . A 10 ARG N . 18852 1 107 . 1 1 11 11 ASN H H 1 8.551 0.006 . 1 . . . A 11 ASN H . 18852 1 108 . 1 1 11 11 ASN HA H 1 4.543 0.016 . 1 . . . A 11 ASN HA . 18852 1 109 . 1 1 11 11 ASN HB2 H 1 3.022 0.013 . 2 . . . A 11 ASN HB2 . 18852 1 110 . 1 1 11 11 ASN HB3 H 1 2.886 0.010 . 2 . . . A 11 ASN HB3 . 18852 1 111 . 1 1 11 11 ASN HD21 H 1 6.947 0.008 . 1 . . . A 11 ASN HD21 . 18852 1 112 . 1 1 11 11 ASN HD22 H 1 7.662 0.007 . 1 . . . A 11 ASN HD22 . 18852 1 113 . 1 1 11 11 ASN C C 13 177.279 0.000 . 1 . . . A 11 ASN C . 18852 1 114 . 1 1 11 11 ASN CA C 13 55.979 0.048 . 1 . . . A 11 ASN CA . 18852 1 115 . 1 1 11 11 ASN CB C 13 37.983 0.104 . 1 . . . A 11 ASN CB . 18852 1 116 . 1 1 11 11 ASN N N 15 118.863 0.026 . 1 . . . A 11 ASN N . 18852 1 117 . 1 1 11 11 ASN ND2 N 15 111.260 0.040 . 1 . . . A 11 ASN ND2 . 18852 1 118 . 1 1 12 12 ARG H H 1 8.253 0.008 . 1 . . . A 12 ARG H . 18852 1 119 . 1 1 12 12 ARG HA H 1 4.079 0.020 . 1 . . . A 12 ARG HA . 18852 1 120 . 1 1 12 12 ARG HB2 H 1 2.018 0.015 . 2 . . . A 12 ARG HB2 . 18852 1 121 . 1 1 12 12 ARG HB3 H 1 2.016 0.014 . 2 . . . A 12 ARG HB3 . 18852 1 122 . 1 1 12 12 ARG HG2 H 1 1.656 0.012 . 1 . . . A 12 ARG HG2 . 18852 1 123 . 1 1 12 12 ARG HG3 H 1 1.656 0.012 . 1 . . . A 12 ARG HG3 . 18852 1 124 . 1 1 12 12 ARG HD2 H 1 3.212 0.011 . 2 . . . A 12 ARG HD2 . 18852 1 125 . 1 1 12 12 ARG HD3 H 1 3.209 0.012 . 2 . . . A 12 ARG HD3 . 18852 1 126 . 1 1 12 12 ARG C C 13 178.488 0.000 . 1 . . . A 12 ARG C . 18852 1 127 . 1 1 12 12 ARG CA C 13 59.787 0.052 . 1 . . . A 12 ARG CA . 18852 1 128 . 1 1 12 12 ARG CB C 13 29.937 0.000 . 1 . . . A 12 ARG CB . 18852 1 129 . 1 1 12 12 ARG CD C 13 43.215 0.000 . 1 . . . A 12 ARG CD . 18852 1 130 . 1 1 12 12 ARG N N 15 120.917 0.037 . 1 . . . A 12 ARG N . 18852 1 131 . 1 1 13 13 ARG H H 1 8.167 0.006 . 1 . . . A 13 ARG H . 18852 1 132 . 1 1 13 13 ARG HA H 1 4.189 0.015 . 1 . . . A 13 ARG HA . 18852 1 133 . 1 1 13 13 ARG HB2 H 1 2.035 0.019 . 1 . . . A 13 ARG HB2 . 18852 1 134 . 1 1 13 13 ARG HB3 H 1 2.036 0.018 . 1 . . . A 13 ARG HB3 . 18852 1 135 . 1 1 13 13 ARG HG2 H 1 1.688 0.011 . 2 . . . A 13 ARG HG2 . 18852 1 136 . 1 1 13 13 ARG HG3 H 1 1.683 0.016 . 2 . . . A 13 ARG HG3 . 18852 1 137 . 1 1 13 13 ARG HD2 H 1 3.227 0.016 . 2 . . . A 13 ARG HD2 . 18852 1 138 . 1 1 13 13 ARG HD3 H 1 3.223 0.016 . 2 . . . A 13 ARG HD3 . 18852 1 139 . 1 1 13 13 ARG C C 13 178.479 0.000 . 1 . . . A 13 ARG C . 18852 1 140 . 1 1 13 13 ARG CA C 13 59.572 0.050 . 1 . . . A 13 ARG CA . 18852 1 141 . 1 1 13 13 ARG CB C 13 30.067 0.023 . 1 . . . A 13 ARG CB . 18852 1 142 . 1 1 13 13 ARG CG C 13 27.631 0.023 . 1 . . . A 13 ARG CG . 18852 1 143 . 1 1 13 13 ARG N N 15 119.263 0.038 . 1 . . . A 13 ARG N . 18852 1 144 . 1 1 14 14 ARG H H 1 8.285 0.010 . 1 . . . A 14 ARG H . 18852 1 145 . 1 1 14 14 ARG HA H 1 4.141 0.018 . 1 . . . A 14 ARG HA . 18852 1 146 . 1 1 14 14 ARG HB2 H 1 2.047 0.018 . 1 . . . A 14 ARG HB2 . 18852 1 147 . 1 1 14 14 ARG HB3 H 1 2.047 0.018 . 1 . . . A 14 ARG HB3 . 18852 1 148 . 1 1 14 14 ARG HG2 H 1 1.694 0.008 . 1 . . . A 14 ARG HG2 . 18852 1 149 . 1 1 14 14 ARG HG3 H 1 1.694 0.008 . 1 . . . A 14 ARG HG3 . 18852 1 150 . 1 1 14 14 ARG HD2 H 1 3.246 0.008 . 1 . . . A 14 ARG HD2 . 18852 1 151 . 1 1 14 14 ARG HD3 H 1 3.246 0.008 . 1 . . . A 14 ARG HD3 . 18852 1 152 . 1 1 14 14 ARG C C 13 178.817 0.000 . 1 . . . A 14 ARG C . 18852 1 153 . 1 1 14 14 ARG CA C 13 59.695 0.020 . 1 . . . A 14 ARG CA . 18852 1 154 . 1 1 14 14 ARG CB C 13 29.812 0.018 . 1 . . . A 14 ARG CB . 18852 1 155 . 1 1 14 14 ARG CG C 13 27.631 0.019 . 1 . . . A 14 ARG CG . 18852 1 156 . 1 1 14 14 ARG N N 15 119.756 0.051 . 1 . . . A 14 ARG N . 18852 1 157 . 1 1 15 15 ARG H H 1 8.278 0.006 . 1 . . . A 15 ARG H . 18852 1 158 . 1 1 15 15 ARG HA H 1 4.158 0.018 . 1 . . . A 15 ARG HA . 18852 1 159 . 1 1 15 15 ARG HB2 H 1 2.009 0.010 . 2 . . . A 15 ARG HB2 . 18852 1 160 . 1 1 15 15 ARG HB3 H 1 2.019 0.017 . 2 . . . A 15 ARG HB3 . 18852 1 161 . 1 1 15 15 ARG HG2 H 1 1.704 0.019 . 1 . . . A 15 ARG HG2 . 18852 1 162 . 1 1 15 15 ARG HG3 H 1 1.704 0.019 . 1 . . . A 15 ARG HG3 . 18852 1 163 . 1 1 15 15 ARG HD2 H 1 3.232 0.017 . 2 . . . A 15 ARG HD2 . 18852 1 164 . 1 1 15 15 ARG HD3 H 1 3.236 0.015 . 2 . . . A 15 ARG HD3 . 18852 1 165 . 1 1 15 15 ARG C C 13 178.909 0.000 . 1 . . . A 15 ARG C . 18852 1 166 . 1 1 15 15 ARG CA C 13 59.233 0.027 . 1 . . . A 15 ARG CA . 18852 1 167 . 1 1 15 15 ARG CB C 13 29.772 0.012 . 1 . . . A 15 ARG CB . 18852 1 168 . 1 1 15 15 ARG CG C 13 27.631 0.023 . 1 . . . A 15 ARG CG . 18852 1 169 . 1 1 15 15 ARG CD C 13 43.418 0.000 . 1 . . . A 15 ARG CD . 18852 1 170 . 1 1 15 15 ARG N N 15 119.026 0.041 . 1 . . . A 15 ARG N . 18852 1 171 . 1 1 16 16 TRP H H 1 8.464 0.007 . 1 . . . A 16 TRP H . 18852 1 172 . 1 1 16 16 TRP HA H 1 4.389 0.021 . 1 . . . A 16 TRP HA . 18852 1 173 . 1 1 16 16 TRP HB2 H 1 3.558 0.014 . 2 . . . A 16 TRP HB2 . 18852 1 174 . 1 1 16 16 TRP HB3 H 1 3.441 0.013 . 2 . . . A 16 TRP HB3 . 18852 1 175 . 1 1 16 16 TRP HD1 H 1 7.228 0.012 . 1 . . . A 16 TRP HD1 . 18852 1 176 . 1 1 16 16 TRP HE1 H 1 9.999 0.008 . 1 . . . A 16 TRP HE1 . 18852 1 177 . 1 1 16 16 TRP HE3 H 1 7.232 0.015 . 1 . . . A 16 TRP HE3 . 18852 1 178 . 1 1 16 16 TRP HZ2 H 1 7.440 0.011 . 1 . . . A 16 TRP HZ2 . 18852 1 179 . 1 1 16 16 TRP HZ3 H 1 7.198 0.000 . 1 . . . A 16 TRP HZ3 . 18852 1 180 . 1 1 16 16 TRP C C 13 178.621 0.000 . 1 . . . A 16 TRP C . 18852 1 181 . 1 1 16 16 TRP CA C 13 61.013 0.041 . 1 . . . A 16 TRP CA . 18852 1 182 . 1 1 16 16 TRP CB C 13 28.796 0.046 . 1 . . . A 16 TRP CB . 18852 1 183 . 1 1 16 16 TRP CD1 C 13 74.463 0.000 . 1 . . . A 16 TRP CD1 . 18852 1 184 . 1 1 16 16 TRP CE3 C 13 70.440 0.000 . 1 . . . A 16 TRP CE3 . 18852 1 185 . 1 1 16 16 TRP CZ2 C 13 62.373 0.000 . 1 . . . A 16 TRP CZ2 . 18852 1 186 . 1 1 16 16 TRP CZ3 C 13 72.397 0.000 . 1 . . . A 16 TRP CZ3 . 18852 1 187 . 1 1 16 16 TRP N N 15 121.055 0.035 . 1 . . . A 16 TRP N . 18852 1 188 . 1 1 16 16 TRP NE1 N 15 128.133 0.000 . 1 . . . A 16 TRP NE1 . 18852 1 189 . 1 1 17 17 ARG H H 1 8.537 0.008 . 1 . . . A 17 ARG H . 18852 1 190 . 1 1 17 17 ARG HA H 1 3.910 0.011 . 1 . . . A 17 ARG HA . 18852 1 191 . 1 1 17 17 ARG HB2 H 1 1.994 0.020 . 2 . . . A 17 ARG HB2 . 18852 1 192 . 1 1 17 17 ARG HB3 H 1 2.041 0.012 . 2 . . . A 17 ARG HB3 . 18852 1 193 . 1 1 17 17 ARG HG2 H 1 1.719 0.013 . 1 . . . A 17 ARG HG2 . 18852 1 194 . 1 1 17 17 ARG HG3 H 1 1.719 0.013 . 1 . . . A 17 ARG HG3 . 18852 1 195 . 1 1 17 17 ARG HD2 H 1 3.247 0.012 . 2 . . . A 17 ARG HD2 . 18852 1 196 . 1 1 17 17 ARG HD3 H 1 3.245 0.012 . 2 . . . A 17 ARG HD3 . 18852 1 197 . 1 1 17 17 ARG C C 13 179.120 0.000 . 1 . . . A 17 ARG C . 18852 1 198 . 1 1 17 17 ARG CA C 13 59.627 0.070 . 1 . . . A 17 ARG CA . 18852 1 199 . 1 1 17 17 ARG CB C 13 29.907 0.000 . 1 . . . A 17 ARG CB . 18852 1 200 . 1 1 17 17 ARG CG C 13 27.631 0.023 . 1 . . . A 17 ARG CG . 18852 1 201 . 1 1 17 17 ARG CD C 13 43.510 0.000 . 1 . . . A 17 ARG CD . 18852 1 202 . 1 1 17 17 ARG N N 15 119.474 0.026 . 1 . . . A 17 ARG N . 18852 1 203 . 1 1 18 18 GLU H H 1 8.346 0.007 . 1 . . . A 18 GLU H . 18852 1 204 . 1 1 18 18 GLU HA H 1 4.061 0.017 . 1 . . . A 18 GLU HA . 18852 1 205 . 1 1 18 18 GLU HB2 H 1 2.124 0.011 . 2 . . . A 18 GLU HB2 . 18852 1 206 . 1 1 18 18 GLU HB3 H 1 2.220 0.013 . 2 . . . A 18 GLU HB3 . 18852 1 207 . 1 1 18 18 GLU HG2 H 1 2.371 0.011 . 2 . . . A 18 GLU HG2 . 18852 1 208 . 1 1 18 18 GLU HG3 H 1 2.488 0.009 . 2 . . . A 18 GLU HG3 . 18852 1 209 . 1 1 18 18 GLU C C 13 179.163 0.000 . 1 . . . A 18 GLU C . 18852 1 210 . 1 1 18 18 GLU CA C 13 59.138 0.038 . 1 . . . A 18 GLU CA . 18852 1 211 . 1 1 18 18 GLU CB C 13 29.135 0.084 . 1 . . . A 18 GLU CB . 18852 1 212 . 1 1 18 18 GLU CG C 13 36.128 0.090 . 1 . . . A 18 GLU CG . 18852 1 213 . 1 1 18 18 GLU N N 15 119.223 0.031 . 1 . . . A 18 GLU N . 18852 1 214 . 1 1 19 19 ARG H H 1 8.104 0.009 . 1 . . . A 19 ARG H . 18852 1 215 . 1 1 19 19 ARG HA H 1 4.046 0.018 . 1 . . . A 19 ARG HA . 18852 1 216 . 1 1 19 19 ARG HB2 H 1 1.800 0.006 . 2 . . . A 19 ARG HB2 . 18852 1 217 . 1 1 19 19 ARG HB3 H 1 1.923 0.008 . 2 . . . A 19 ARG HB3 . 18852 1 218 . 1 1 19 19 ARG HG2 H 1 1.630 0.012 . 2 . . . A 19 ARG HG2 . 18852 1 219 . 1 1 19 19 ARG HG3 H 1 1.627 0.011 . 2 . . . A 19 ARG HG3 . 18852 1 220 . 1 1 19 19 ARG HD2 H 1 3.199 0.003 . 1 . . . A 19 ARG HD2 . 18852 1 221 . 1 1 19 19 ARG HD3 H 1 3.199 0.003 . 1 . . . A 19 ARG HD3 . 18852 1 222 . 1 1 19 19 ARG C C 13 178.634 0.000 . 1 . . . A 19 ARG C . 18852 1 223 . 1 1 19 19 ARG CA C 13 59.016 0.048 . 1 . . . A 19 ARG CA . 18852 1 224 . 1 1 19 19 ARG CB C 13 29.371 0.108 . 1 . . . A 19 ARG CB . 18852 1 225 . 1 1 19 19 ARG CG C 13 28.006 0.000 . 1 . . . A 19 ARG CG . 18852 1 226 . 1 1 19 19 ARG N N 15 119.942 0.037 . 1 . . . A 19 ARG N . 18852 1 227 . 1 1 20 20 GLN H H 1 8.044 0.008 . 1 . . . A 20 GLN H . 18852 1 228 . 1 1 20 20 GLN HA H 1 3.892 0.013 . 1 . . . A 20 GLN HA . 18852 1 229 . 1 1 20 20 GLN HB2 H 1 1.938 0.016 . 2 . . . A 20 GLN HB2 . 18852 1 230 . 1 1 20 20 GLN HB3 H 1 1.917 0.017 . 2 . . . A 20 GLN HB3 . 18852 1 231 . 1 1 20 20 GLN HG2 H 1 1.906 0.009 . 2 . . . A 20 GLN HG2 . 18852 1 232 . 1 1 20 20 GLN HG3 H 1 1.909 0.011 . 2 . . . A 20 GLN HG3 . 18852 1 233 . 1 1 20 20 GLN HE21 H 1 6.317 0.010 . 1 . . . A 20 GLN HE21 . 18852 1 234 . 1 1 20 20 GLN HE22 H 1 6.469 0.006 . 1 . . . A 20 GLN HE22 . 18852 1 235 . 1 1 20 20 GLN C C 13 178.465 0.000 . 1 . . . A 20 GLN C . 18852 1 236 . 1 1 20 20 GLN CA C 13 58.170 0.044 . 1 . . . A 20 GLN CA . 18852 1 237 . 1 1 20 20 GLN CB C 13 28.113 0.075 . 1 . . . A 20 GLN CB . 18852 1 238 . 1 1 20 20 GLN CG C 13 33.168 0.027 . 1 . . . A 20 GLN CG . 18852 1 239 . 1 1 20 20 GLN N N 15 118.373 0.029 . 1 . . . A 20 GLN N . 18852 1 240 . 1 1 20 20 GLN NE2 N 15 109.598 0.033 . 1 . . . A 20 GLN NE2 . 18852 1 241 . 1 1 21 21 ARG H H 1 8.079 0.011 . 1 . . . A 21 ARG H . 18852 1 242 . 1 1 21 21 ARG HA H 1 4.034 0.013 . 1 . . . A 21 ARG HA . 18852 1 243 . 1 1 21 21 ARG HB2 H 1 1.797 0.011 . 2 . . . A 21 ARG HB2 . 18852 1 244 . 1 1 21 21 ARG HB3 H 1 1.926 0.016 . 2 . . . A 21 ARG HB3 . 18852 1 245 . 1 1 21 21 ARG HG2 H 1 1.630 0.012 . 2 . . . A 21 ARG HG2 . 18852 1 246 . 1 1 21 21 ARG HG3 H 1 1.629 0.012 . 2 . . . A 21 ARG HG3 . 18852 1 247 . 1 1 21 21 ARG HD2 H 1 3.199 0.007 . 1 . . . A 21 ARG HD2 . 18852 1 248 . 1 1 21 21 ARG HD3 H 1 3.199 0.007 . 1 . . . A 21 ARG HD3 . 18852 1 249 . 1 1 21 21 ARG C C 13 178.423 0.000 . 1 . . . A 21 ARG C . 18852 1 250 . 1 1 21 21 ARG CA C 13 58.765 0.014 . 1 . . . A 21 ARG CA . 18852 1 251 . 1 1 21 21 ARG CB C 13 29.676 0.016 . 1 . . . A 21 ARG CB . 18852 1 252 . 1 1 21 21 ARG CG C 13 27.041 0.000 . 1 . . . A 21 ARG CG . 18852 1 253 . 1 1 21 21 ARG CD C 13 43.209 0.000 . 1 . . . A 21 ARG CD . 18852 1 254 . 1 1 21 21 ARG N N 15 119.374 0.033 . 1 . . . A 21 ARG N . 18852 1 255 . 1 1 22 22 ALA H H 1 8.026 0.011 . 1 . . . A 22 ALA H . 18852 1 256 . 1 1 22 22 ALA HA H 1 4.146 0.009 . 1 . . . A 22 ALA HA . 18852 1 257 . 1 1 22 22 ALA HB1 H 1 1.476 0.018 . 1 . . . A 22 ALA HB1 . 18852 1 258 . 1 1 22 22 ALA HB2 H 1 1.476 0.018 . 1 . . . A 22 ALA HB2 . 18852 1 259 . 1 1 22 22 ALA HB3 H 1 1.476 0.018 . 1 . . . A 22 ALA HB3 . 18852 1 260 . 1 1 22 22 ALA C C 13 179.577 0.000 . 1 . . . A 22 ALA C . 18852 1 261 . 1 1 22 22 ALA CA C 13 54.267 0.041 . 1 . . . A 22 ALA CA . 18852 1 262 . 1 1 22 22 ALA CB C 13 17.831 0.053 . 1 . . . A 22 ALA CB . 18852 1 263 . 1 1 22 22 ALA N N 15 121.393 0.023 . 1 . . . A 22 ALA N . 18852 1 264 . 1 1 23 23 ALA H H 1 7.938 0.007 . 1 . . . A 23 ALA H . 18852 1 265 . 1 1 23 23 ALA HA H 1 4.158 0.011 . 1 . . . A 23 ALA HA . 18852 1 266 . 1 1 23 23 ALA HB1 H 1 1.463 0.014 . 1 . . . A 23 ALA HB1 . 18852 1 267 . 1 1 23 23 ALA HB2 H 1 1.463 0.014 . 1 . . . A 23 ALA HB2 . 18852 1 268 . 1 1 23 23 ALA HB3 H 1 1.463 0.014 . 1 . . . A 23 ALA HB3 . 18852 1 269 . 1 1 23 23 ALA C C 13 178.616 0.000 . 1 . . . A 23 ALA C . 18852 1 270 . 1 1 23 23 ALA CA C 13 53.714 0.035 . 1 . . . A 23 ALA CA . 18852 1 271 . 1 1 23 23 ALA CB C 13 18.045 0.021 . 1 . . . A 23 ALA CB . 18852 1 272 . 1 1 23 23 ALA N N 15 119.867 0.032 . 1 . . . A 23 ALA N . 18852 1 273 . 1 1 24 24 ALA H H 1 7.693 0.011 . 1 . . . A 24 ALA H . 18852 1 274 . 1 1 24 24 ALA HA H 1 4.291 0.011 . 1 . . . A 24 ALA HA . 18852 1 275 . 1 1 24 24 ALA HB1 H 1 1.472 0.014 . 1 . . . A 24 ALA HB1 . 18852 1 276 . 1 1 24 24 ALA HB2 H 1 1.472 0.014 . 1 . . . A 24 ALA HB2 . 18852 1 277 . 1 1 24 24 ALA HB3 H 1 1.472 0.014 . 1 . . . A 24 ALA HB3 . 18852 1 278 . 1 1 24 24 ALA C C 13 177.528 0.000 . 1 . . . A 24 ALA C . 18852 1 279 . 1 1 24 24 ALA CA C 13 52.706 0.049 . 1 . . . A 24 ALA CA . 18852 1 280 . 1 1 24 24 ALA CB C 13 18.591 0.030 . 1 . . . A 24 ALA CB . 18852 1 281 . 1 1 24 24 ALA N N 15 119.652 0.022 . 1 . . . A 24 ALA N . 18852 1 282 . 1 1 25 25 ALA H H 1 7.679 0.006 . 1 . . . A 25 ALA H . 18852 1 283 . 1 1 25 25 ALA HA H 1 4.329 0.014 . 1 . . . A 25 ALA HA . 18852 1 284 . 1 1 25 25 ALA HB1 H 1 1.468 0.009 . 1 . . . A 25 ALA HB1 . 18852 1 285 . 1 1 25 25 ALA HB2 H 1 1.468 0.009 . 1 . . . A 25 ALA HB2 . 18852 1 286 . 1 1 25 25 ALA HB3 H 1 1.468 0.009 . 1 . . . A 25 ALA HB3 . 18852 1 287 . 1 1 25 25 ALA C C 13 176.649 0.000 . 1 . . . A 25 ALA C . 18852 1 288 . 1 1 25 25 ALA CA C 13 52.566 0.046 . 1 . . . A 25 ALA CA . 18852 1 289 . 1 1 25 25 ALA CB C 13 18.630 0.030 . 1 . . . A 25 ALA CB . 18852 1 290 . 1 1 25 25 ALA N N 15 121.574 0.028 . 1 . . . A 25 ALA N . 18852 1 291 . 1 1 26 26 ARG H H 1 7.582 0.008 . 1 . . . A 26 ARG H . 18852 1 292 . 1 1 26 26 ARG HA H 1 4.185 0.010 . 1 . . . A 26 ARG HA . 18852 1 293 . 1 1 26 26 ARG HB2 H 1 1.777 0.010 . 2 . . . A 26 ARG HB2 . 18852 1 294 . 1 1 26 26 ARG HB3 H 1 1.895 0.011 . 2 . . . A 26 ARG HB3 . 18852 1 295 . 1 1 26 26 ARG HG2 H 1 1.661 0.011 . 2 . . . A 26 ARG HG2 . 18852 1 296 . 1 1 26 26 ARG HG3 H 1 1.662 0.011 . 2 . . . A 26 ARG HG3 . 18852 1 297 . 1 1 26 26 ARG HD2 H 1 3.216 0.011 . 2 . . . A 26 ARG HD2 . 18852 1 298 . 1 1 26 26 ARG HD3 H 1 3.212 0.006 . 2 . . . A 26 ARG HD3 . 18852 1 299 . 1 1 26 26 ARG CA C 13 57.374 0.024 . 1 . . . A 26 ARG CA . 18852 1 300 . 1 1 26 26 ARG CB C 13 31.569 0.053 . 1 . . . A 26 ARG CB . 18852 1 301 . 1 1 26 26 ARG CG C 13 26.960 0.016 . 1 . . . A 26 ARG CG . 18852 1 302 . 1 1 26 26 ARG N N 15 124.295 0.020 . 1 . . . A 26 ARG N . 18852 1 stop_ save_