data_4680 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4680 _Entry.Title ; The Structure of a LysM Domain from E.coli Membrane-bound Lytic Murein Transglycosylase D (MltD) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-06 _Entry.Accession_date 2000-03-06 _Entry.Last_release_date 2000-12-18 _Entry.Original_release_date 2000-12-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alex Bateman . . . 4680 2 Mark Bycroft . . . 4680 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4680 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 219 4680 '15N chemical shifts' 61 4680 '1H chemical shifts' 399 4680 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 . . 2000-12-18 2000-03-06 original author . 4680 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4680 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20304905 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bateman, A., Bycroft, M., "The Structure of a LysM Domain from E.coli Membrane- bound Lytic Murein Transglycosylase D (MltD)," J. Mol. Biol. 299, 1113-1119 (2000). ; _Citation.Title ; The Structure of a LysM Domain from E.coli Membrane-bound Lytic Murein Transglycosylase D (MltD) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 299 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1113 _Citation.Page_last 1119 _Citation.Year 2000 _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 Alex Bateman . . . 4680 1 2 Mark Bycroft . . . 4680 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_LysM_Domain _Assembly.Sf_category assembly _Assembly.Sf_framecode LysM_Domain _Assembly.Entry_ID 4680 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of MLTD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4680 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MLTD 1 $MLTD . . . native . . . . . 4680 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1E01 . 'A Chain A, Lysm Domain From E.Coli Mltd' . . . . 4680 1 . PDB 1E0G . 'A Chain A, Lysm Domain From E.Coli Mltd' . . . . 4680 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C-terminal domain of MLTD' system 4680 1 'LysM Domain' abbreviation 4680 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MLTD _Entity.Sf_category entity _Entity.Sf_framecode MLTD _Entity.Entry_ID 4680 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE D' _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 ; GSAQRLANNSDSITYRVRKG DSLSSIAKRHGVNIKDVMRW NSDTANLQPGDKLTLFVKNN NMPDS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1E0G . "Lysm Domain From E.Coli Mltd" . . . . . 73.85 48 100.00 100.00 2.04e-25 . . . . 4680 1 2 no GB KOA34578 . "lytic murein transglycosylase, partial [Escherichia coli]" . . . . . 98.46 78 100.00 100.00 2.67e-37 . . . . 4680 1 3 no REF WP_032146895 . "lytic transglycosylase [Escherichia coli]" . . . . . 98.46 452 100.00 100.00 1.30e-34 . . . . 4680 1 4 no REF WP_057103735 . "hypothetical protein [Escherichia coli]" . . . . . 98.46 88 100.00 100.00 4.64e-37 . . . . 4680 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE D' common 4680 1 MLTD abbreviation 4680 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 . 4680 1 2 . SER . 4680 1 3 . ALA . 4680 1 4 . GLN . 4680 1 5 . ARG . 4680 1 6 . LEU . 4680 1 7 . ALA . 4680 1 8 . ASN . 4680 1 9 . ASN . 4680 1 10 . SER . 4680 1 11 . ASP . 4680 1 12 . SER . 4680 1 13 . ILE . 4680 1 14 . THR . 4680 1 15 . TYR . 4680 1 16 . ARG . 4680 1 17 . VAL . 4680 1 18 . ARG . 4680 1 19 . LYS . 4680 1 20 . GLY . 4680 1 21 . ASP . 4680 1 22 . SER . 4680 1 23 . LEU . 4680 1 24 . SER . 4680 1 25 . SER . 4680 1 26 . ILE . 4680 1 27 . ALA . 4680 1 28 . LYS . 4680 1 29 . ARG . 4680 1 30 . HIS . 4680 1 31 . GLY . 4680 1 32 . VAL . 4680 1 33 . ASN . 4680 1 34 . ILE . 4680 1 35 . LYS . 4680 1 36 . ASP . 4680 1 37 . VAL . 4680 1 38 . MET . 4680 1 39 . ARG . 4680 1 40 . TRP . 4680 1 41 . ASN . 4680 1 42 . SER . 4680 1 43 . ASP . 4680 1 44 . THR . 4680 1 45 . ALA . 4680 1 46 . ASN . 4680 1 47 . LEU . 4680 1 48 . GLN . 4680 1 49 . PRO . 4680 1 50 . GLY . 4680 1 51 . ASP . 4680 1 52 . LYS . 4680 1 53 . LEU . 4680 1 54 . THR . 4680 1 55 . LEU . 4680 1 56 . PHE . 4680 1 57 . VAL . 4680 1 58 . LYS . 4680 1 59 . ASN . 4680 1 60 . ASN . 4680 1 61 . ASN . 4680 1 62 . MET . 4680 1 63 . PRO . 4680 1 64 . ASP . 4680 1 65 . SER . 4680 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 4680 1 . SER 2 2 4680 1 . ALA 3 3 4680 1 . GLN 4 4 4680 1 . ARG 5 5 4680 1 . LEU 6 6 4680 1 . ALA 7 7 4680 1 . ASN 8 8 4680 1 . ASN 9 9 4680 1 . SER 10 10 4680 1 . ASP 11 11 4680 1 . SER 12 12 4680 1 . ILE 13 13 4680 1 . THR 14 14 4680 1 . TYR 15 15 4680 1 . ARG 16 16 4680 1 . VAL 17 17 4680 1 . ARG 18 18 4680 1 . LYS 19 19 4680 1 . GLY 20 20 4680 1 . ASP 21 21 4680 1 . SER 22 22 4680 1 . LEU 23 23 4680 1 . SER 24 24 4680 1 . SER 25 25 4680 1 . ILE 26 26 4680 1 . ALA 27 27 4680 1 . LYS 28 28 4680 1 . ARG 29 29 4680 1 . HIS 30 30 4680 1 . GLY 31 31 4680 1 . VAL 32 32 4680 1 . ASN 33 33 4680 1 . ILE 34 34 4680 1 . LYS 35 35 4680 1 . ASP 36 36 4680 1 . VAL 37 37 4680 1 . MET 38 38 4680 1 . ARG 39 39 4680 1 . TRP 40 40 4680 1 . ASN 41 41 4680 1 . SER 42 42 4680 1 . ASP 43 43 4680 1 . THR 44 44 4680 1 . ALA 45 45 4680 1 . ASN 46 46 4680 1 . LEU 47 47 4680 1 . GLN 48 48 4680 1 . PRO 49 49 4680 1 . GLY 50 50 4680 1 . ASP 51 51 4680 1 . LYS 52 52 4680 1 . LEU 53 53 4680 1 . THR 54 54 4680 1 . LEU 55 55 4680 1 . PHE 56 56 4680 1 . VAL 57 57 4680 1 . LYS 58 58 4680 1 . ASN 59 59 4680 1 . ASN 60 60 4680 1 . ASN 61 61 4680 1 . MET 62 62 4680 1 . PRO 63 63 4680 1 . ASP 64 64 4680 1 . SER 65 65 4680 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 4680 _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 $MLTD . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4680 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 4680 _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 $MLTD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4680 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4680 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE D' . . . 1 $MLTD . . 5 . . mM . . . . 4680 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4680 _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 'ionic strength' 0.15 0.02 M 4680 1 pH 6.8 0.1 pH 4680 1 temperature 310 1 K 4680 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4680 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4680 _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 unknown unknown . 0 'spectrometer information not available' . . 4680 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 4680 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4680 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 4680 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4680 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4680 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4680 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4680 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4680 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 3 3 ALA H H 1 8.50 0.015 . 1 . . . . . . . . 4680 1 2 . 1 1 3 3 ALA HA H 1 4.22 0.015 . 1 . . . . . . . . 4680 1 3 . 1 1 3 3 ALA HB1 H 1 1.26 0.015 . 1 . . . . . . . . 4680 1 4 . 1 1 3 3 ALA HB2 H 1 1.26 0.015 . 1 . . . . . . . . 4680 1 5 . 1 1 3 3 ALA HB3 H 1 1.26 0.015 . 1 . . . . . . . . 4680 1 6 . 1 1 3 3 ALA CA C 13 52.08 0.15 . 1 . . . . . . . . 4680 1 7 . 1 1 3 3 ALA CB C 13 18.64 0.15 . 1 . . . . . . . . 4680 1 8 . 1 1 3 3 ALA N N 15 126.70 0.2 . 1 . . . . . . . . 4680 1 9 . 1 1 4 4 GLN H H 1 8.26 0.015 . 1 . . . . . . . . 4680 1 10 . 1 1 4 4 GLN HA H 1 4.17 0.015 . 1 . . . . . . . . 4680 1 11 . 1 1 4 4 GLN HB2 H 1 1.91 0.015 . 1 . . . . . . . . 4680 1 12 . 1 1 4 4 GLN HB3 H 1 1.91 0.015 . 1 . . . . . . . . 4680 1 13 . 1 1 4 4 GLN HG2 H 1 2.25 0.015 . 1 . . . . . . . . 4680 1 14 . 1 1 4 4 GLN HG3 H 1 2.25 0.015 . 1 . . . . . . . . 4680 1 15 . 1 1 4 4 GLN N N 15 119.64 0.2 . 1 . . . . . . . . 4680 1 16 . 1 1 5 5 ARG H H 1 8.29 0.015 . 1 . . . . . . . . 4680 1 17 . 1 1 5 5 ARG HA H 1 4.21 0.015 . 1 . . . . . . . . 4680 1 18 . 1 1 5 5 ARG HB2 H 1 1.70 0.015 . 1 . . . . . . . . 4680 1 19 . 1 1 5 5 ARG HB3 H 1 1.70 0.015 . 1 . . . . . . . . 4680 1 20 . 1 1 5 5 ARG HG2 H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 21 . 1 1 5 5 ARG HG3 H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 22 . 1 1 5 5 ARG HD2 H 1 3.08 0.015 . 1 . . . . . . . . 4680 1 23 . 1 1 5 5 ARG HD3 H 1 3.08 0.015 . 1 . . . . . . . . 4680 1 24 . 1 1 5 5 ARG CA C 13 55.49 0.15 . 1 . . . . . . . . 4680 1 25 . 1 1 5 5 ARG CB C 13 30.17 0.15 . 1 . . . . . . . . 4680 1 26 . 1 1 5 5 ARG N N 15 122.70 0.2 . 1 . . . . . . . . 4680 1 27 . 1 1 6 6 LEU H H 1 8.25 0.015 . 1 . . . . . . . . 4680 1 28 . 1 1 6 6 LEU HA H 1 4.22 0.015 . 1 . . . . . . . . 4680 1 29 . 1 1 6 6 LEU HB2 H 1 1.50 0.015 . 1 . . . . . . . . 4680 1 30 . 1 1 6 6 LEU HB3 H 1 1.50 0.015 . 1 . . . . . . . . 4680 1 31 . 1 1 6 6 LEU HG H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 32 . 1 1 6 6 LEU HD11 H 1 0.75 0.015 . 2 . . . . . . . . 4680 1 33 . 1 1 6 6 LEU HD12 H 1 0.75 0.015 . 2 . . . . . . . . 4680 1 34 . 1 1 6 6 LEU HD13 H 1 0.75 0.015 . 2 . . . . . . . . 4680 1 35 . 1 1 6 6 LEU HD21 H 1 0.81 0.015 . 2 . . . . . . . . 4680 1 36 . 1 1 6 6 LEU HD22 H 1 0.81 0.015 . 2 . . . . . . . . 4680 1 37 . 1 1 6 6 LEU HD23 H 1 0.81 0.015 . 2 . . . . . . . . 4680 1 38 . 1 1 6 6 LEU CA C 13 54.25 0.15 . 1 . . . . . . . . 4680 1 39 . 1 1 6 6 LEU CB C 13 41.78 0.15 . 2 . . . . . . . . 4680 1 40 . 1 1 6 6 LEU CG C 13 26.5 0.15 . 1 . . . . . . . . 4680 1 41 . 1 1 6 6 LEU CD1 C 13 24.1 0.15 . 2 . . . . . . . . 4680 1 42 . 1 1 6 6 LEU CD2 C 13 24.4 0.15 . 2 . . . . . . . . 4680 1 43 . 1 1 6 6 LEU N N 15 123.65 0.2 . 1 . . . . . . . . 4680 1 44 . 1 1 7 7 ALA H H 1 8.22 0.015 . 1 . . . . . . . . 4680 1 45 . 1 1 7 7 ALA HA H 1 4.14 0.015 . 1 . . . . . . . . 4680 1 46 . 1 1 7 7 ALA HB1 H 1 1.23 0.015 . 1 . . . . . . . . 4680 1 47 . 1 1 7 7 ALA HB2 H 1 1.23 0.015 . 1 . . . . . . . . 4680 1 48 . 1 1 7 7 ALA HB3 H 1 1.23 0.015 . 1 . . . . . . . . 4680 1 49 . 1 1 7 7 ALA CA C 13 51.95 0.15 . 1 . . . . . . . . 4680 1 50 . 1 1 7 7 ALA CB C 13 18.84 0.15 . 1 . . . . . . . . 4680 1 51 . 1 1 7 7 ALA N N 15 124.45 0.2 . 1 . . . . . . . . 4680 1 52 . 1 1 8 8 ASN H H 1 8.28 0.015 . 1 . . . . . . . . 4680 1 53 . 1 1 8 8 ASN HA H 1 4.56 0.015 . 1 . . . . . . . . 4680 1 54 . 1 1 8 8 ASN HB2 H 1 2.72 0.015 . 1 . . . . . . . . 4680 1 55 . 1 1 8 8 ASN HB3 H 1 2.72 0.015 . 1 . . . . . . . . 4680 1 56 . 1 1 8 8 ASN CA C 13 52.82 0.15 . 1 . . . . . . . . 4680 1 57 . 1 1 8 8 ASN CB C 13 38.45 0.15 . 1 . . . . . . . . 4680 1 58 . 1 1 8 8 ASN N N 15 118.12 0.2 . 1 . . . . . . . . 4680 1 59 . 1 1 9 9 ASN H H 1 8.47 0.015 . 1 . . . . . . . . 4680 1 60 . 1 1 9 9 ASN HA H 1 4.62 0.015 . 1 . . . . . . . . 4680 1 61 . 1 1 9 9 ASN HB2 H 1 2.70 0.015 . 1 . . . . . . . . 4680 1 62 . 1 1 9 9 ASN HB3 H 1 2.70 0.015 . 1 . . . . . . . . 4680 1 63 . 1 1 9 9 ASN CA C 13 53.05 0.15 . 1 . . . . . . . . 4680 1 64 . 1 1 9 9 ASN CB C 13 38.39 0.15 . 1 . . . . . . . . 4680 1 65 . 1 1 9 9 ASN N N 15 119.22 0.2 . 1 . . . . . . . . 4680 1 66 . 1 1 10 10 SER H H 1 8.19 0.015 . 1 . . . . . . . . 4680 1 67 . 1 1 10 10 SER HA H 1 4.43 0.015 . 1 . . . . . . . . 4680 1 68 . 1 1 10 10 SER HB2 H 1 3.73 0.015 . 1 . . . . . . . . 4680 1 69 . 1 1 10 10 SER HB3 H 1 3.73 0.015 . 1 . . . . . . . . 4680 1 70 . 1 1 10 10 SER CA C 13 58.13 0.15 . 1 . . . . . . . . 4680 1 71 . 1 1 10 10 SER CB C 13 63.68 0.15 . 1 . . . . . . . . 4680 1 72 . 1 1 10 10 SER N N 15 115.43 0.2 . 1 . . . . . . . . 4680 1 73 . 1 1 11 11 ASP H H 1 8.38 0.015 . 1 . . . . . . . . 4680 1 74 . 1 1 11 11 ASP HA H 1 4.62 0.015 . 1 . . . . . . . . 4680 1 75 . 1 1 11 11 ASP HB2 H 1 2.58 0.015 . 1 . . . . . . . . 4680 1 76 . 1 1 11 11 ASP HB3 H 1 2.58 0.015 . 1 . . . . . . . . 4680 1 77 . 1 1 11 11 ASP C C 13 172.95 0.15 . 1 . . . . . . . . 4680 1 78 . 1 1 11 11 ASP CA C 13 53.71 0.15 . 1 . . . . . . . . 4680 1 79 . 1 1 11 11 ASP CB C 13 41.08 0.15 . 1 . . . . . . . . 4680 1 80 . 1 1 11 11 ASP N N 15 121.82 0.2 . 1 . . . . . . . . 4680 1 81 . 1 1 12 12 SER H H 1 7.87 0.015 . 1 . . . . . . . . 4680 1 82 . 1 1 12 12 SER HA H 1 4.33 0.015 . 1 . . . . . . . . 4680 1 83 . 1 1 12 12 SER HB2 H 1 3.00 0.015 . 1 . . . . . . . . 4680 1 84 . 1 1 12 12 SER HB3 H 1 2.75 0.015 . 1 . . . . . . . . 4680 1 85 . 1 1 12 12 SER C C 13 171.85 0.15 . 1 . . . . . . . . 4680 1 86 . 1 1 12 12 SER CA C 13 56.17 0.15 . 1 . . . . . . . . 4680 1 87 . 1 1 12 12 SER CB C 13 64.40 0.15 . 1 . . . . . . . . 4680 1 88 . 1 1 12 12 SER N N 15 113.62 0.2 . 1 . . . . . . . . 4680 1 89 . 1 1 13 13 ILE H H 1 8.48 0.015 . 1 . . . . . . . . 4680 1 90 . 1 1 13 13 ILE HA H 1 4.44 0.015 . 1 . . . . . . . . 4680 1 91 . 1 1 13 13 ILE HB H 1 1.69 0.015 . 1 . . . . . . . . 4680 1 92 . 1 1 13 13 ILE HG12 H 1 0.87 0.015 . 2 . . . . . . . . 4680 1 93 . 1 1 13 13 ILE HG13 H 1 1.09 0.015 . 2 . . . . . . . . 4680 1 94 . 1 1 13 13 ILE HG21 H 1 0.74 0.015 . 1 . . . . . . . . 4680 1 95 . 1 1 13 13 ILE HG22 H 1 0.74 0.015 . 1 . . . . . . . . 4680 1 96 . 1 1 13 13 ILE HG23 H 1 0.74 0.015 . 1 . . . . . . . . 4680 1 97 . 1 1 13 13 ILE HD11 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 98 . 1 1 13 13 ILE HD12 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 99 . 1 1 13 13 ILE HD13 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 100 . 1 1 13 13 ILE C C 13 175.28 0.15 . 1 . . . . . . . . 4680 1 101 . 1 1 13 13 ILE CA C 13 58.7 0.15 . 1 . . . . . . . . 4680 1 102 . 1 1 13 13 ILE CB C 13 40.8 0.15 . 1 . . . . . . . . 4680 1 103 . 1 1 13 13 ILE CG1 C 13 26.1 0.15 . 1 . . . . . . . . 4680 1 104 . 1 1 13 13 ILE CG2 C 13 17.3 0.15 . 1 . . . . . . . . 4680 1 105 . 1 1 13 13 ILE CD1 C 13 13.6 0.15 . 1 . . . . . . . . 4680 1 106 . 1 1 13 13 ILE N N 15 117.2 0.2 . 1 . . . . . . . . 4680 1 107 . 1 1 14 14 THR H H 1 8.29 0.015 . 1 . . . . . . . . 4680 1 108 . 1 1 14 14 THR HA H 1 4.76 0.015 . 1 . . . . . . . . 4680 1 109 . 1 1 14 14 THR HB H 1 3.74 0.015 . 1 . . . . . . . . 4680 1 110 . 1 1 14 14 THR HG21 H 1 0.90 0.015 . 1 . . . . . . . . 4680 1 111 . 1 1 14 14 THR HG22 H 1 0.90 0.015 . 1 . . . . . . . . 4680 1 112 . 1 1 14 14 THR HG23 H 1 0.90 0.015 . 1 . . . . . . . . 4680 1 113 . 1 1 14 14 THR C C 13 171.5 0.15 . 1 . . . . . . . . 4680 1 114 . 1 1 14 14 THR CA C 13 60.7 0.15 . 1 . . . . . . . . 4680 1 115 . 1 1 14 14 THR CB C 13 69.2 0.15 . 1 . . . . . . . . 4680 1 116 . 1 1 14 14 THR CG2 C 13 21.1 0.15 . 1 . . . . . . . . 4680 1 117 . 1 1 14 14 THR N N 15 118.1 0.2 . 1 . . . . . . . . 4680 1 118 . 1 1 15 15 TYR H H 1 9.35 0.015 . 1 . . . . . . . . 4680 1 119 . 1 1 15 15 TYR HA H 1 4.41 0.015 . 1 . . . . . . . . 4680 1 120 . 1 1 15 15 TYR HB2 H 1 2.38 0.015 . 1 . . . . . . . . 4680 1 121 . 1 1 15 15 TYR HB3 H 1 2.38 0.015 . 1 . . . . . . . . 4680 1 122 . 1 1 15 15 TYR HD1 H 1 6.81 0.015 . 1 . . . . . . . . 4680 1 123 . 1 1 15 15 TYR HD2 H 1 6.81 0.015 . 1 . . . . . . . . 4680 1 124 . 1 1 15 15 TYR HE1 H 1 6.74 0.015 . 1 . . . . . . . . 4680 1 125 . 1 1 15 15 TYR HE2 H 1 6.74 0.015 . 1 . . . . . . . . 4680 1 126 . 1 1 15 15 TYR C C 13 171.2 0.15 . 1 . . . . . . . . 4680 1 127 . 1 1 15 15 TYR CA C 13 56.39 0.15 . 1 . . . . . . . . 4680 1 128 . 1 1 15 15 TYR CB C 13 41.35 0.15 . 1 . . . . . . . . 4680 1 129 . 1 1 15 15 TYR CD1 C 13 136.70 0.15 . 1 . . . . . . . . 4680 1 130 . 1 1 15 15 TYR CD2 C 13 136.70 0.15 . 1 . . . . . . . . 4680 1 131 . 1 1 15 15 TYR CE1 C 13 118.58 0.15 . 1 . . . . . . . . 4680 1 132 . 1 1 15 15 TYR CE2 C 13 118.58 0.15 . 1 . . . . . . . . 4680 1 133 . 1 1 15 15 TYR N N 15 129.07 0.2 . 1 . . . . . . . . 4680 1 134 . 1 1 16 16 ARG H H 1 7.58 0.015 . 1 . . . . . . . . 4680 1 135 . 1 1 16 16 ARG HA H 1 4.57 0.015 . 1 . . . . . . . . 4680 1 136 . 1 1 16 16 ARG HB2 H 1 1.30 0.015 . 1 . . . . . . . . 4680 1 137 . 1 1 16 16 ARG HB3 H 1 1.30 0.015 . 1 . . . . . . . . 4680 1 138 . 1 1 16 16 ARG C C 13 171.80 0.15 . 1 . . . . . . . . 4680 1 139 . 1 1 16 16 ARG CA C 13 53.24 0.15 . 1 . . . . . . . . 4680 1 140 . 1 1 16 16 ARG CB C 13 29.81 0.15 . 1 . . . . . . . . 4680 1 141 . 1 1 17 17 VAL H H 1 8.63 0.015 . 1 . . . . . . . . 4680 1 142 . 1 1 17 17 VAL HA H 1 3.62 0.015 . 1 . . . . . . . . 4680 1 143 . 1 1 17 17 VAL HB H 1 1.95 0.015 . 1 . . . . . . . . 4680 1 144 . 1 1 17 17 VAL HG11 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 145 . 1 1 17 17 VAL HG12 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 146 . 1 1 17 17 VAL HG13 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 147 . 1 1 17 17 VAL HG21 H 1 0.92 0.015 . 1 . . . . . . . . 4680 1 148 . 1 1 17 17 VAL HG22 H 1 0.92 0.015 . 1 . . . . . . . . 4680 1 149 . 1 1 17 17 VAL HG23 H 1 0.92 0.015 . 1 . . . . . . . . 4680 1 150 . 1 1 17 17 VAL C C 13 174.4 0.15 . 1 . . . . . . . . 4680 1 151 . 1 1 17 17 VAL CA C 13 63.6 0.15 . 1 . . . . . . . . 4680 1 152 . 1 1 17 17 VAL CB C 13 30.9 0.15 . 1 . . . . . . . . 4680 1 153 . 1 1 17 17 VAL CG1 C 13 21.7 0.15 . 1 . . . . . . . . 4680 1 154 . 1 1 17 17 VAL CG2 C 13 22.9 0.15 . 1 . . . . . . . . 4680 1 155 . 1 1 17 17 VAL N N 15 124.59 0.2 . 1 . . . . . . . . 4680 1 156 . 1 1 18 18 ARG H H 1 9.08 0.015 . 1 . . . . . . . . 4680 1 157 . 1 1 18 18 ARG HA H 1 4.47 0.015 . 1 . . . . . . . . 4680 1 158 . 1 1 18 18 ARG HB2 H 1 1.61 0.015 . 2 . . . . . . . . 4680 1 159 . 1 1 18 18 ARG HB3 H 1 1.80 0.015 . 2 . . . . . . . . 4680 1 160 . 1 1 18 18 ARG C C 13 174.22 0.15 . 1 . . . . . . . . 4680 1 161 . 1 1 18 18 ARG CA C 13 53.41 0.15 . 1 . . . . . . . . 4680 1 162 . 1 1 18 18 ARG CB C 13 32.52 0.15 . 1 . . . . . . . . 4680 1 163 . 1 1 18 18 ARG N N 15 130.2 0.2 . 1 . . . . . . . . 4680 1 164 . 1 1 19 19 LYS H H 1 8.70 0.015 . 1 . . . . . . . . 4680 1 165 . 1 1 19 19 LYS HA H 1 3.91 0.015 . 1 . . . . . . . . 4680 1 166 . 1 1 19 19 LYS HB2 H 1 1.67 0.015 . 1 . . . . . . . . 4680 1 167 . 1 1 19 19 LYS HB3 H 1 1.67 0.015 . 1 . . . . . . . . 4680 1 168 . 1 1 19 19 LYS C C 13 175.35 0.15 . 1 . . . . . . . . 4680 1 169 . 1 1 19 19 LYS CA C 13 58.26 0.15 . 1 . . . . . . . . 4680 1 170 . 1 1 19 19 LYS CB C 13 31.47 0.15 . 1 . . . . . . . . 4680 1 171 . 1 1 19 19 LYS N N 15 122.96 0.2 . 1 . . . . . . . . 4680 1 172 . 1 1 20 20 GLY H H 1 9.05 0.015 . 1 . . . . . . . . 4680 1 173 . 1 1 20 20 GLY HA2 H 1 3.57 0.015 . 2 . . . . . . . . 4680 1 174 . 1 1 20 20 GLY HA3 H 1 4.27 0.015 . 2 . . . . . . . . 4680 1 175 . 1 1 20 20 GLY C C 13 172.80 0.15 . 1 . . . . . . . . 4680 1 176 . 1 1 20 20 GLY CA C 13 44.44 0.15 . 1 . . . . . . . . 4680 1 177 . 1 1 20 20 GLY N N 15 115.90 0.2 . 1 . . . . . . . . 4680 1 178 . 1 1 21 21 ASP H H 1 7.93 0.015 . 1 . . . . . . . . 4680 1 179 . 1 1 21 21 ASP HA H 1 4.48 0.015 . 1 . . . . . . . . 4680 1 180 . 1 1 21 21 ASP HB2 H 1 3.06 0.015 . 2 . . . . . . . . 4680 1 181 . 1 1 21 21 ASP HB3 H 1 2.38 0.015 . 2 . . . . . . . . 4680 1 182 . 1 1 21 21 ASP C C 13 173.77 0.15 . 1 . . . . . . . . 4680 1 183 . 1 1 21 21 ASP CA C 13 54.71 0.15 . 1 . . . . . . . . 4680 1 184 . 1 1 21 21 ASP CB C 13 41.81 0.15 . 1 . . . . . . . . 4680 1 185 . 1 1 21 21 ASP N N 15 120.65 0.2 . 1 . . . . . . . . 4680 1 186 . 1 1 22 22 SER H H 1 8.44 0.015 . 1 . . . . . . . . 4680 1 187 . 1 1 22 22 SER HA H 1 4.15 0.015 . 1 . . . . . . . . 4680 1 188 . 1 1 22 22 SER HB2 H 1 3.81 0.015 . 1 . . . . . . . . 4680 1 189 . 1 1 22 22 SER HB3 H 1 3.81 0.015 . 1 . . . . . . . . 4680 1 190 . 1 1 22 22 SER C C 13 172.10 0.15 . 1 . . . . . . . . 4680 1 191 . 1 1 22 22 SER CA C 13 55.0 0.15 . 1 . . . . . . . . 4680 1 192 . 1 1 22 22 SER CB C 13 66.9 0.15 . 1 . . . . . . . . 4680 1 193 . 1 1 22 22 SER N N 15 113.8 0.2 . 1 . . . . . . . . 4680 1 194 . 1 1 23 23 LEU H H 1 9.20 0.015 . 1 . . . . . . . . 4680 1 195 . 1 1 23 23 LEU HA H 1 3.81 0.015 . 1 . . . . . . . . 4680 1 196 . 1 1 23 23 LEU HB2 H 1 1.70 0.015 . 2 . . . . . . . . 4680 1 197 . 1 1 23 23 LEU HB3 H 1 1.52 0.015 . 2 . . . . . . . . 4680 1 198 . 1 1 23 23 LEU HG H 1 1.59 0.015 . 1 . . . . . . . . 4680 1 199 . 1 1 23 23 LEU HD11 H 1 0.86 0.015 . 1 . . . . . . . . 4680 1 200 . 1 1 23 23 LEU HD12 H 1 0.86 0.015 . 1 . . . . . . . . 4680 1 201 . 1 1 23 23 LEU HD13 H 1 0.86 0.015 . 1 . . . . . . . . 4680 1 202 . 1 1 23 23 LEU HD21 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 203 . 1 1 23 23 LEU HD22 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 204 . 1 1 23 23 LEU HD23 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 205 . 1 1 23 23 LEU C C 13 176.4 0.15 . 1 . . . . . . . . 4680 1 206 . 1 1 23 23 LEU CA C 13 58.5 0.15 . 1 . . . . . . . . 4680 1 207 . 1 1 23 23 LEU CB C 13 41.0 0.15 . 1 . . . . . . . . 4680 1 208 . 1 1 23 23 LEU CG C 13 26.6 0.15 . 1 . . . . . . . . 4680 1 209 . 1 1 23 23 LEU CD1 C 13 24.3 0.15 . 1 . . . . . . . . 4680 1 210 . 1 1 23 23 LEU CD2 C 13 24.2 0.15 . 1 . . . . . . . . 4680 1 211 . 1 1 23 23 LEU N N 15 122.2 0.2 . 1 . . . . . . . . 4680 1 212 . 1 1 24 24 SER H H 1 8.34 0.015 . 1 . . . . . . . . 4680 1 213 . 1 1 24 24 SER HA H 1 3.94 0.015 . 1 . . . . . . . . 4680 1 214 . 1 1 24 24 SER HB2 H 1 3.75 0.015 . 2 . . . . . . . . 4680 1 215 . 1 1 24 24 SER HB3 H 1 3.77 0.015 . 2 . . . . . . . . 4680 1 216 . 1 1 24 24 SER C C 13 175.21 0.15 . 1 . . . . . . . . 4680 1 217 . 1 1 24 24 SER CA C 13 61.14 0.15 . 1 . . . . . . . . 4680 1 218 . 1 1 24 24 SER CB C 13 62.32 0.15 . 1 . . . . . . . . 4680 1 219 . 1 1 24 24 SER N N 15 110.02 0.2 . 1 . . . . . . . . 4680 1 220 . 1 1 25 25 SER H H 1 8.29 0.015 . 1 . . . . . . . . 4680 1 221 . 1 1 25 25 SER HA H 1 4.37 0.015 . 1 . . . . . . . . 4680 1 222 . 1 1 25 25 SER HB2 H 1 3.78 0.015 . 1 . . . . . . . . 4680 1 223 . 1 1 25 25 SER HB3 H 1 3.78 0.015 . 1 . . . . . . . . 4680 1 224 . 1 1 25 25 SER C C 13 172.92 0.15 . 1 . . . . . . . . 4680 1 225 . 1 1 25 25 SER CA C 13 57.92 0.15 . 1 . . . . . . . . 4680 1 226 . 1 1 25 25 SER CB C 13 63.53 0.15 . 1 . . . . . . . . 4680 1 227 . 1 1 25 25 SER N N 15 120.56 0.2 . 1 . . . . . . . . 4680 1 228 . 1 1 26 26 ILE H H 1 8.50 0.015 . 1 . . . . . . . . 4680 1 229 . 1 1 26 26 ILE HA H 1 3.47 0.015 . 1 . . . . . . . . 4680 1 230 . 1 1 26 26 ILE HB H 1 1.65 0.015 . 1 . . . . . . . . 4680 1 231 . 1 1 26 26 ILE HG12 H 1 0.69 0.015 . 2 . . . . . . . . 4680 1 232 . 1 1 26 26 ILE HG13 H 1 1.80 0.015 . 2 . . . . . . . . 4680 1 233 . 1 1 26 26 ILE HG21 H 1 0.29 0.015 . 1 . . . . . . . . 4680 1 234 . 1 1 26 26 ILE HG22 H 1 0.29 0.015 . 1 . . . . . . . . 4680 1 235 . 1 1 26 26 ILE HG23 H 1 0.29 0.015 . 1 . . . . . . . . 4680 1 236 . 1 1 26 26 ILE HD11 H 1 0.76 0.015 . 1 . . . . . . . . 4680 1 237 . 1 1 26 26 ILE HD12 H 1 0.76 0.015 . 1 . . . . . . . . 4680 1 238 . 1 1 26 26 ILE HD13 H 1 0.76 0.015 . 1 . . . . . . . . 4680 1 239 . 1 1 26 26 ILE C C 13 173.2 0.15 . 1 . . . . . . . . 4680 1 240 . 1 1 26 26 ILE CA C 13 64.80 0.15 . 1 . . . . . . . . 4680 1 241 . 1 1 26 26 ILE CB C 13 38.50 0.15 . 1 . . . . . . . . 4680 1 242 . 1 1 26 26 ILE CG1 C 13 28.01 0.15 . 1 . . . . . . . . 4680 1 243 . 1 1 26 26 ILE CG2 C 13 16.28 0.15 . 1 . . . . . . . . 4680 1 244 . 1 1 26 26 ILE CD1 C 13 14.93 0.15 . 1 . . . . . . . . 4680 1 245 . 1 1 26 26 ILE N N 15 126.01 0.2 . 1 . . . . . . . . 4680 1 246 . 1 1 27 27 ALA H H 1 8.29 0.015 . 1 . . . . . . . . 4680 1 247 . 1 1 27 27 ALA HA H 1 3.70 0.015 . 1 . . . . . . . . 4680 1 248 . 1 1 27 27 ALA HB1 H 1 1.32 0.015 . 1 . . . . . . . . 4680 1 249 . 1 1 27 27 ALA HB2 H 1 1.32 0.015 . 1 . . . . . . . . 4680 1 250 . 1 1 27 27 ALA HB3 H 1 1.32 0.015 . 1 . . . . . . . . 4680 1 251 . 1 1 27 27 ALA C C 13 177.07 0.15 . 1 . . . . . . . . 4680 1 252 . 1 1 27 27 ALA CA C 13 54.99 0.15 . 1 . . . . . . . . 4680 1 253 . 1 1 27 27 ALA CB C 13 17.01 0.15 . 1 . . . . . . . . 4680 1 254 . 1 1 27 27 ALA N N 15 123.48 0.2 . 1 . . . . . . . . 4680 1 255 . 1 1 28 28 LYS H H 1 8.03 0.015 . 1 . . . . . . . . 4680 1 256 . 1 1 28 28 LYS HA H 1 4.07 0.015 . 1 . . . . . . . . 4680 1 257 . 1 1 28 28 LYS HB2 H 1 1.84 0.015 . 2 . . . . . . . . 4680 1 258 . 1 1 28 28 LYS HB3 H 1 1.77 0.015 . 2 . . . . . . . . 4680 1 259 . 1 1 28 28 LYS HG2 H 1 1.33 0.015 . 1 . . . . . . . . 4680 1 260 . 1 1 28 28 LYS HG3 H 1 1.33 0.015 . 1 . . . . . . . . 4680 1 261 . 1 1 28 28 LYS HD2 H 1 1.48 0.015 . 1 . . . . . . . . 4680 1 262 . 1 1 28 28 LYS HD3 H 1 1.48 0.015 . 1 . . . . . . . . 4680 1 263 . 1 1 28 28 LYS HE2 H 1 2.82 0.015 . 1 . . . . . . . . 4680 1 264 . 1 1 28 28 LYS HE3 H 1 2.82 0.015 . 1 . . . . . . . . 4680 1 265 . 1 1 28 28 LYS C C 13 178.49 0.15 . 1 . . . . . . . . 4680 1 266 . 1 1 28 28 LYS CA C 13 58.77 0.15 . 1 . . . . . . . . 4680 1 267 . 1 1 28 28 LYS CB C 13 31.90 0.15 . 1 . . . . . . . . 4680 1 268 . 1 1 28 28 LYS N N 15 117.64 0.2 . 1 . . . . . . . . 4680 1 269 . 1 1 29 29 ARG H H 1 8.07 0.015 . 1 . . . . . . . . 4680 1 270 . 1 1 29 29 ARG HA H 1 3.90 0.015 . 1 . . . . . . . . 4680 1 271 . 1 1 29 29 ARG HB2 H 1 1.73 0.015 . 2 . . . . . . . . 4680 1 272 . 1 1 29 29 ARG HB3 H 1 1.50 0.015 . 2 . . . . . . . . 4680 1 273 . 1 1 29 29 ARG C C 13 175.02 0.15 . 1 . . . . . . . . 4680 1 274 . 1 1 29 29 ARG CA C 13 57.94 0.15 . 1 . . . . . . . . 4680 1 275 . 1 1 29 29 ARG CB C 13 29.38 0.15 . 1 . . . . . . . . 4680 1 276 . 1 1 29 29 ARG N N 15 117.98 0.2 . 1 . . . . . . . . 4680 1 277 . 1 1 30 30 HIS H H 1 7.32 0.015 . 1 . . . . . . . . 4680 1 278 . 1 1 30 30 HIS HA H 1 4.50 0.015 . 1 . . . . . . . . 4680 1 279 . 1 1 30 30 HIS HB2 H 1 2.50 0.015 . 1 . . . . . . . . 4680 1 280 . 1 1 30 30 HIS HB3 H 1 3.47 0.015 . 1 . . . . . . . . 4680 1 281 . 1 1 30 30 HIS HD2 H 1 6.74 0.015 . 1 . . . . . . . . 4680 1 282 . 1 1 30 30 HIS HE1 H 1 6.67 0.015 . 1 . . . . . . . . 4680 1 283 . 1 1 30 30 HIS C C 13 172.01 0.15 . 1 . . . . . . . . 4680 1 284 . 1 1 30 30 HIS CA C 13 57.26 0.15 . 1 . . . . . . . . 4680 1 285 . 1 1 30 30 HIS CB C 13 29.02 0.15 . 1 . . . . . . . . 4680 1 286 . 1 1 30 30 HIS CD2 C 13 118.60 0.15 . 1 . . . . . . . . 4680 1 287 . 1 1 30 30 HIS CE1 C 13 136.60 0.15 . 1 . . . . . . . . 4680 1 288 . 1 1 30 30 HIS N N 15 113.00 0.2 . 1 . . . . . . . . 4680 1 289 . 1 1 31 31 GLY H H 1 7.76 0.015 . 1 . . . . . . . . 4680 1 290 . 1 1 31 31 GLY HA2 H 1 3.92 0.015 . 1 . . . . . . . . 4680 1 291 . 1 1 31 31 GLY HA3 H 1 3.92 0.015 . 1 . . . . . . . . 4680 1 292 . 1 1 31 31 GLY C C 13 172.80 0.15 . 1 . . . . . . . . 4680 1 293 . 1 1 31 31 GLY CA C 13 46.5 0.15 . 1 . . . . . . . . 4680 1 294 . 1 1 31 31 GLY N N 15 109.1 0.2 . 1 . . . . . . . . 4680 1 295 . 1 1 32 32 VAL H H 1 7.90 0.015 . 1 . . . . . . . . 4680 1 296 . 1 1 32 32 VAL HA H 1 4.78 0.015 . 1 . . . . . . . . 4680 1 297 . 1 1 32 32 VAL HB H 1 2.52 0.015 . 1 . . . . . . . . 4680 1 298 . 1 1 32 32 VAL HG11 H 1 1.10 0.015 . 1 . . . . . . . . 4680 1 299 . 1 1 32 32 VAL HG12 H 1 1.10 0.015 . 1 . . . . . . . . 4680 1 300 . 1 1 32 32 VAL HG13 H 1 1.10 0.015 . 1 . . . . . . . . 4680 1 301 . 1 1 32 32 VAL HG21 H 1 0.75 0.015 . 1 . . . . . . . . 4680 1 302 . 1 1 32 32 VAL HG22 H 1 0.75 0.015 . 1 . . . . . . . . 4680 1 303 . 1 1 32 32 VAL HG23 H 1 0.75 0.015 . 1 . . . . . . . . 4680 1 304 . 1 1 32 32 VAL C C 13 171.87 0.15 . 1 . . . . . . . . 4680 1 305 . 1 1 32 32 VAL CA C 13 57.9 0.15 . 1 . . . . . . . . 4680 1 306 . 1 1 32 32 VAL CB C 13 33.7 0.15 . 1 . . . . . . . . 4680 1 307 . 1 1 32 32 VAL CG1 C 13 21.6 0.15 . 1 . . . . . . . . 4680 1 308 . 1 1 32 32 VAL CG2 C 13 19.0 0.15 . 1 . . . . . . . . 4680 1 309 . 1 1 32 32 VAL N N 15 110.9 0.2 . 1 . . . . . . . . 4680 1 310 . 1 1 33 33 ASN H H 1 8.84 0.015 . 1 . . . . . . . . 4680 1 311 . 1 1 33 33 ASN HA H 1 4.81 0.015 . 1 . . . . . . . . 4680 1 312 . 1 1 33 33 ASN HB2 H 1 2.62 0.015 . 1 . . . . . . . . 4680 1 313 . 1 1 33 33 ASN HB3 H 1 2.62 0.015 . 1 . . . . . . . . 4680 1 314 . 1 1 33 33 ASN C C 13 175.52 0.15 . 1 . . . . . . . . 4680 1 315 . 1 1 33 33 ASN CA C 13 51.54 0.15 . 1 . . . . . . . . 4680 1 316 . 1 1 33 33 ASN CB C 13 39.70 0.15 . 1 . . . . . . . . 4680 1 317 . 1 1 33 33 ASN N N 15 118.70 0.2 . 1 . . . . . . . . 4680 1 318 . 1 1 34 34 ILE H H 1 9.00 0.015 . 1 . . . . . . . . 4680 1 319 . 1 1 34 34 ILE HA H 1 3.37 0.015 . 1 . . . . . . . . 4680 1 320 . 1 1 34 34 ILE HB H 1 1.68 0.015 . 1 . . . . . . . . 4680 1 321 . 1 1 34 34 ILE HG12 H 1 1.40 0.015 . 1 . . . . . . . . 4680 1 322 . 1 1 34 34 ILE HG13 H 1 1.40 0.015 . 1 . . . . . . . . 4680 1 323 . 1 1 34 34 ILE HG21 H 1 0.82 0.015 . 1 . . . . . . . . 4680 1 324 . 1 1 34 34 ILE HG22 H 1 0.82 0.015 . 1 . . . . . . . . 4680 1 325 . 1 1 34 34 ILE HG23 H 1 0.82 0.015 . 1 . . . . . . . . 4680 1 326 . 1 1 34 34 ILE HD11 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 327 . 1 1 34 34 ILE HD12 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 328 . 1 1 34 34 ILE HD13 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 329 . 1 1 34 34 ILE C C 13 172.75 0.15 . 1 . . . . . . . . 4680 1 330 . 1 1 34 34 ILE CA C 13 65.74 0.15 . 1 . . . . . . . . 4680 1 331 . 1 1 34 34 ILE CB C 13 37.43 0.15 . 1 . . . . . . . . 4680 1 332 . 1 1 34 34 ILE CG1 C 13 28.30 0.15 . 1 . . . . . . . . 4680 1 333 . 1 1 34 34 ILE CG2 C 13 16.97 0.15 . 1 . . . . . . . . 4680 1 334 . 1 1 34 34 ILE CD1 C 13 13.34 0.15 . 1 . . . . . . . . 4680 1 335 . 1 1 34 34 ILE N N 15 125.50 0.2 . 1 . . . . . . . . 4680 1 336 . 1 1 35 35 LYS H H 1 8.44 0.015 . 1 . . . . . . . . 4680 1 337 . 1 1 35 35 LYS HA H 1 3.82 0.015 . 1 . . . . . . . . 4680 1 338 . 1 1 35 35 LYS HB2 H 1 1.58 0.015 . 1 . . . . . . . . 4680 1 339 . 1 1 35 35 LYS HB3 H 1 1.58 0.015 . 1 . . . . . . . . 4680 1 340 . 1 1 35 35 LYS HG2 H 1 1.18 0.015 . 2 . . . . . . . . 4680 1 341 . 1 1 35 35 LYS HG3 H 1 1.29 0.015 . 2 . . . . . . . . 4680 1 342 . 1 1 35 35 LYS HD2 H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 343 . 1 1 35 35 LYS HD3 H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 344 . 1 1 35 35 LYS HE2 H 1 2.78 0.015 . 1 . . . . . . . . 4680 1 345 . 1 1 35 35 LYS HE3 H 1 2.78 0.015 . 1 . . . . . . . . 4680 1 346 . 1 1 35 35 LYS C C 13 177.23 0.15 . 1 . . . . . . . . 4680 1 347 . 1 1 35 35 LYS CA C 13 58.56 0.15 . 1 . . . . . . . . 4680 1 348 . 1 1 35 35 LYS CB C 13 31.35 0.15 . 1 . . . . . . . . 4680 1 349 . 1 1 35 35 LYS N N 15 118.20 0.2 . 1 . . . . . . . . 4680 1 350 . 1 1 36 36 ASP H H 1 7.10 0.015 . 1 . . . . . . . . 4680 1 351 . 1 1 36 36 ASP HA H 1 3.67 0.015 . 1 . . . . . . . . 4680 1 352 . 1 1 36 36 ASP HB2 H 1 2.25 0.015 . 2 . . . . . . . . 4680 1 353 . 1 1 36 36 ASP HB3 H 1 1.24 0.015 . 2 . . . . . . . . 4680 1 354 . 1 1 36 36 ASP C C 13 173.72 0.15 . 1 . . . . . . . . 4680 1 355 . 1 1 36 36 ASP CA C 13 56.26 0.15 . 1 . . . . . . . . 4680 1 356 . 1 1 36 36 ASP CB C 13 39.71 0.15 . 1 . . . . . . . . 4680 1 357 . 1 1 36 36 ASP N N 15 118.64 0.2 . 1 . . . . . . . . 4680 1 358 . 1 1 37 37 VAL H H 1 6.91 0.015 . 1 . . . . . . . . 4680 1 359 . 1 1 37 37 VAL HA H 1 3.32 0.015 . 1 . . . . . . . . 4680 1 360 . 1 1 37 37 VAL HB H 1 2.08 0.015 . 1 . . . . . . . . 4680 1 361 . 1 1 37 37 VAL HG11 H 1 0.82 0.015 . 1 . . . . . . . . 4680 1 362 . 1 1 37 37 VAL HG12 H 1 0.82 0.015 . 1 . . . . . . . . 4680 1 363 . 1 1 37 37 VAL HG13 H 1 0.82 0.015 . 1 . . . . . . . . 4680 1 364 . 1 1 37 37 VAL HG21 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 365 . 1 1 37 37 VAL HG22 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 366 . 1 1 37 37 VAL HG23 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 367 . 1 1 37 37 VAL C C 13 176.81 0.15 . 1 . . . . . . . . 4680 1 368 . 1 1 37 37 VAL CA C 13 66.73 0.15 . 1 . . . . . . . . 4680 1 369 . 1 1 37 37 VAL CB C 13 30.8 0.15 . 1 . . . . . . . . 4680 1 370 . 1 1 37 37 VAL CG1 C 13 22.3 0.15 . 1 . . . . . . . . 4680 1 371 . 1 1 37 37 VAL CG2 C 13 22.6 0.15 . 1 . . . . . . . . 4680 1 372 . 1 1 37 37 VAL N N 15 116.6 0.2 . 1 . . . . . . . . 4680 1 373 . 1 1 38 38 MET H H 1 7.71 0.015 . 1 . . . . . . . . 4680 1 374 . 1 1 38 38 MET HA H 1 4.04 0.015 . 1 . . . . . . . . 4680 1 375 . 1 1 38 38 MET HB2 H 1 1.77 0.015 . 2 . . . . . . . . 4680 1 376 . 1 1 38 38 MET HB3 H 1 2.12 0.015 . 2 . . . . . . . . 4680 1 377 . 1 1 38 38 MET HG2 H 1 2.41 0.015 . 2 . . . . . . . . 4680 1 378 . 1 1 38 38 MET HG3 H 1 2.51 0.015 . 2 . . . . . . . . 4680 1 379 . 1 1 38 38 MET HE1 H 1 1.92 0.015 . 1 . . . . . . . . 4680 1 380 . 1 1 38 38 MET HE2 H 1 1.92 0.015 . 1 . . . . . . . . 4680 1 381 . 1 1 38 38 MET HE3 H 1 1.92 0.015 . 1 . . . . . . . . 4680 1 382 . 1 1 38 38 MET C C 13 174.52 0.15 . 1 . . . . . . . . 4680 1 383 . 1 1 38 38 MET CA C 13 58.1 0.15 . 1 . . . . . . . . 4680 1 384 . 1 1 38 38 MET CB C 13 32.8 0.15 . 1 . . . . . . . . 4680 1 385 . 1 1 38 38 MET CG C 13 31.5 0.15 . 1 . . . . . . . . 4680 1 386 . 1 1 38 38 MET CE C 13 15.9 0.15 . 1 . . . . . . . . 4680 1 387 . 1 1 38 38 MET N N 15 115.6 0.2 . 1 . . . . . . . . 4680 1 388 . 1 1 39 39 ARG H H 1 7.31 0.015 . 1 . . . . . . . . 4680 1 389 . 1 1 39 39 ARG HA H 1 4.01 0.015 . 1 . . . . . . . . 4680 1 390 . 1 1 39 39 ARG HB2 H 1 1.54 0.015 . 2 . . . . . . . . 4680 1 391 . 1 1 39 39 ARG HB3 H 1 1.64 0.015 . 2 . . . . . . . . 4680 1 392 . 1 1 39 39 ARG HG2 H 1 1.41 0.015 . 1 . . . . . . . . 4680 1 393 . 1 1 39 39 ARG HG3 H 1 1.41 0.015 . 1 . . . . . . . . 4680 1 394 . 1 1 39 39 ARG HD2 H 1 3.03 0.015 . 2 . . . . . . . . 4680 1 395 . 1 1 39 39 ARG HD3 H 1 3.07 0.015 . 2 . . . . . . . . 4680 1 396 . 1 1 39 39 ARG C C 13 176.66 0.15 . 1 . . . . . . . . 4680 1 397 . 1 1 39 39 ARG CA C 13 58.00 0.15 . 1 . . . . . . . . 4680 1 398 . 1 1 39 39 ARG CB C 13 29.46 0.15 . 1 . . . . . . . . 4680 1 399 . 1 1 39 39 ARG N N 15 119.4 0.2 . 1 . . . . . . . . 4680 1 400 . 1 1 40 40 TRP H H 1 7.62 0.015 . 1 . . . . . . . . 4680 1 401 . 1 1 40 40 TRP HA H 1 4.78 0.015 . 1 . . . . . . . . 4680 1 402 . 1 1 40 40 TRP HB2 H 1 3.26 0.015 . 1 . . . . . . . . 4680 1 403 . 1 1 40 40 TRP HB3 H 1 3.26 0.015 . 1 . . . . . . . . 4680 1 404 . 1 1 40 40 TRP HD1 H 1 7.12 0.015 . 1 . . . . . . . . 4680 1 405 . 1 1 40 40 TRP HE1 H 1 10.06 0.015 . 1 . . . . . . . . 4680 1 406 . 1 1 40 40 TRP HE3 H 1 7.70 0.015 . 1 . . . . . . . . 4680 1 407 . 1 1 40 40 TRP HZ2 H 1 7.50 0.015 . 1 . . . . . . . . 4680 1 408 . 1 1 40 40 TRP HZ3 H 1 6.80 0.015 . 1 . . . . . . . . 4680 1 409 . 1 1 40 40 TRP HH2 H 1 7.28 0.015 . 1 . . . . . . . . 4680 1 410 . 1 1 40 40 TRP C C 13 173.70 0.15 . 1 . . . . . . . . 4680 1 411 . 1 1 40 40 TRP CA C 13 55.87 0.15 . 1 . . . . . . . . 4680 1 412 . 1 1 40 40 TRP CB C 13 30.17 0.15 . 1 . . . . . . . . 4680 1 413 . 1 1 40 40 TRP CD1 C 13 129.2 0.15 . 1 . . . . . . . . 4680 1 414 . 1 1 40 40 TRP CE3 C 13 121.2 0.15 . 1 . . . . . . . . 4680 1 415 . 1 1 40 40 TRP CZ2 C 13 115.5 0.15 . 1 . . . . . . . . 4680 1 416 . 1 1 40 40 TRP CZ3 C 13 118.6 0.15 . 1 . . . . . . . . 4680 1 417 . 1 1 40 40 TRP CH2 C 13 124.9 0.15 . 1 . . . . . . . . 4680 1 418 . 1 1 40 40 TRP N N 15 117.2 0.2 . 1 . . . . . . . . 4680 1 419 . 1 1 40 40 TRP NE1 N 15 129.2 0.2 . 1 . . . . . . . . 4680 1 420 . 1 1 41 41 ASN H H 1 7.44 0.015 . 1 . . . . . . . . 4680 1 421 . 1 1 41 41 ASN HA H 1 5.09 0.015 . 1 . . . . . . . . 4680 1 422 . 1 1 41 41 ASN HB2 H 1 2.54 0.015 . 1 . . . . . . . . 4680 1 423 . 1 1 41 41 ASN HB3 H 1 2.54 0.015 . 1 . . . . . . . . 4680 1 424 . 1 1 41 41 ASN HD21 H 1 8.34 0.015 . 1 . . . . . . . . 4680 1 425 . 1 1 41 41 ASN HD22 H 1 8.80 0.015 . 1 . . . . . . . . 4680 1 426 . 1 1 41 41 ASN C C 13 170.96 0.15 . 1 . . . . . . . . 4680 1 427 . 1 1 41 41 ASN CA C 13 51.92 0.15 . 1 . . . . . . . . 4680 1 428 . 1 1 41 41 ASN CB C 13 41.93 0.15 . 1 . . . . . . . . 4680 1 429 . 1 1 41 41 ASN N N 15 115.8 0.2 . 1 . . . . . . . . 4680 1 430 . 1 1 41 41 ASN ND2 N 15 118.5 0.2 . 1 . . . . . . . . 4680 1 431 . 1 1 42 42 SER H H 1 8.60 0.015 . 1 . . . . . . . . 4680 1 432 . 1 1 42 42 SER HA H 1 4.32 0.015 . 1 . . . . . . . . 4680 1 433 . 1 1 42 42 SER HB2 H 1 3.87 0.015 . 1 . . . . . . . . 4680 1 434 . 1 1 42 42 SER HB3 H 1 3.87 0.015 . 1 . . . . . . . . 4680 1 435 . 1 1 42 42 SER C C 13 172.51 0.15 . 1 . . . . . . . . 4680 1 436 . 1 1 42 42 SER CA C 13 59.61 0.15 . 1 . . . . . . . . 4680 1 437 . 1 1 42 42 SER CB C 13 63.29 0.15 . 1 . . . . . . . . 4680 1 438 . 1 1 42 42 SER N N 15 116.1 0.2 . 1 . . . . . . . . 4680 1 439 . 1 1 43 43 ASP H H 1 8.61 0.015 . 1 . . . . . . . . 4680 1 440 . 1 1 43 43 ASP HA H 1 4.77 0.015 . 1 . . . . . . . . 4680 1 441 . 1 1 43 43 ASP HB2 H 1 2.78 0.015 . 2 . . . . . . . . 4680 1 442 . 1 1 43 43 ASP HB3 H 1 2.50 0.015 . 2 . . . . . . . . 4680 1 443 . 1 1 43 43 ASP C C 13 174.23 0.15 . 1 . . . . . . . . 4680 1 444 . 1 1 43 43 ASP CA C 13 53.59 0.15 . 1 . . . . . . . . 4680 1 445 . 1 1 43 43 ASP CB C 13 40.26 0.15 . 1 . . . . . . . . 4680 1 446 . 1 1 43 43 ASP N N 15 120.8 0.2 . 1 . . . . . . . . 4680 1 447 . 1 1 44 44 THR H H 1 8.04 0.015 . 1 . . . . . . . . 4680 1 448 . 1 1 44 44 THR HA H 1 4.16 0.015 . 1 . . . . . . . . 4680 1 449 . 1 1 44 44 THR HB H 1 4.36 0.015 . 1 . . . . . . . . 4680 1 450 . 1 1 44 44 THR HG21 H 1 0.98 0.015 . 1 . . . . . . . . 4680 1 451 . 1 1 44 44 THR HG22 H 1 0.98 0.015 . 1 . . . . . . . . 4680 1 452 . 1 1 44 44 THR HG23 H 1 0.98 0.015 . 1 . . . . . . . . 4680 1 453 . 1 1 44 44 THR C C 13 172.57 0.15 . 1 . . . . . . . . 4680 1 454 . 1 1 44 44 THR CA C 13 61.4 0.15 . 1 . . . . . . . . 4680 1 455 . 1 1 44 44 THR CB C 13 69.1 0.15 . 1 . . . . . . . . 4680 1 456 . 1 1 44 44 THR CG2 C 13 21.4 0.15 . 1 . . . . . . . . 4680 1 457 . 1 1 44 44 THR N N 15 111.5 0.2 . 1 . . . . . . . . 4680 1 458 . 1 1 45 45 ALA H H 1 8.11 0.015 . 1 . . . . . . . . 4680 1 459 . 1 1 45 45 ALA HA H 1 4.16 0.015 . 1 . . . . . . . . 4680 1 460 . 1 1 45 45 ALA HB1 H 1 1.31 0.015 . 1 . . . . . . . . 4680 1 461 . 1 1 45 45 ALA HB2 H 1 1.31 0.015 . 1 . . . . . . . . 4680 1 462 . 1 1 45 45 ALA HB3 H 1 1.31 0.015 . 1 . . . . . . . . 4680 1 463 . 1 1 45 45 ALA C C 13 175.70 0.15 . 1 . . . . . . . . 4680 1 464 . 1 1 45 45 ALA CA C 13 51.8 0.15 . 1 . . . . . . . . 4680 1 465 . 1 1 45 45 ALA CB C 13 19.0 0.15 . 1 . . . . . . . . 4680 1 466 . 1 1 45 45 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 4680 1 467 . 1 1 46 46 ASN H H 1 8.32 0.015 . 1 . . . . . . . . 4680 1 468 . 1 1 46 46 ASN HA H 1 4.78 0.015 . 1 . . . . . . . . 4680 1 469 . 1 1 46 46 ASN HB2 H 1 2.72 0.015 . 2 . . . . . . . . 4680 1 470 . 1 1 46 46 ASN HB3 H 1 2.46 0.015 . 2 . . . . . . . . 4680 1 471 . 1 1 46 46 ASN C C 13 171.97 0.15 . 1 . . . . . . . . 4680 1 472 . 1 1 46 46 ASN CA C 13 51.50 0.15 . 1 . . . . . . . . 4680 1 473 . 1 1 46 46 ASN CB C 13 38.39 0.15 . 1 . . . . . . . . 4680 1 474 . 1 1 46 46 ASN N N 15 117.5 0.2 . 1 . . . . . . . . 4680 1 475 . 1 1 47 47 LEU H H 1 7.70 0.015 . 1 . . . . . . . . 4680 1 476 . 1 1 47 47 LEU HA H 1 4.18 0.015 . 1 . . . . . . . . 4680 1 477 . 1 1 47 47 LEU HB2 H 1 1.59 0.015 . 2 . . . . . . . . 4680 1 478 . 1 1 47 47 LEU HB3 H 1 1.28 0.015 . 2 . . . . . . . . 4680 1 479 . 1 1 47 47 LEU HG H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 480 . 1 1 47 47 LEU HD11 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 481 . 1 1 47 47 LEU HD12 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 482 . 1 1 47 47 LEU HD13 H 1 0.79 0.015 . 1 . . . . . . . . 4680 1 483 . 1 1 47 47 LEU HD21 H 1 0.77 0.015 . 1 . . . . . . . . 4680 1 484 . 1 1 47 47 LEU HD22 H 1 0.77 0.015 . 1 . . . . . . . . 4680 1 485 . 1 1 47 47 LEU HD23 H 1 0.77 0.015 . 1 . . . . . . . . 4680 1 486 . 1 1 47 47 LEU C C 13 174.75 0.15 . 1 . . . . . . . . 4680 1 487 . 1 1 47 47 LEU CA C 13 55.1 0.15 . 1 . . . . . . . . 4680 1 488 . 1 1 47 47 LEU CB C 13 42.4 0.15 . 1 . . . . . . . . 4680 1 489 . 1 1 47 47 LEU CG C 13 26.3 0.15 . 1 . . . . . . . . 4680 1 490 . 1 1 47 47 LEU CD1 C 13 25.5 0.15 . 1 . . . . . . . . 4680 1 491 . 1 1 47 47 LEU CD2 C 13 24.1 0.15 . 1 . . . . . . . . 4680 1 492 . 1 1 47 47 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 4680 1 493 . 1 1 48 48 GLN H H 1 8.90 0.015 . 1 . . . . . . . . 4680 1 494 . 1 1 48 48 GLN HA H 1 4.68 0.015 . 1 . . . . . . . . 4680 1 495 . 1 1 48 48 GLN HB2 H 1 1.71 0.015 . 2 . . . . . . . . 4680 1 496 . 1 1 48 48 GLN HB3 H 1 1.90 0.015 . 2 . . . . . . . . 4680 1 497 . 1 1 48 48 GLN HG2 H 1 2.26 0.015 . 2 . . . . . . . . 4680 1 498 . 1 1 48 48 GLN HG3 H 1 2.62 0.015 . 2 . . . . . . . . 4680 1 499 . 1 1 48 48 GLN N N 15 124.4 0.2 . 1 . . . . . . . . 4680 1 500 . 1 1 49 49 PRO HA H 1 3.72 0.015 . 1 . . . . . . . . 4680 1 501 . 1 1 49 49 PRO HB2 H 1 2.00 0.015 . 2 . . . . . . . . 4680 1 502 . 1 1 49 49 PRO HB3 H 1 1.84 0.015 . 2 . . . . . . . . 4680 1 503 . 1 1 49 49 PRO HG2 H 1 2.07 0.015 . 2 . . . . . . . . 4680 1 504 . 1 1 49 49 PRO HG3 H 1 1.58 0.015 . 2 . . . . . . . . 4680 1 505 . 1 1 49 49 PRO HD2 H 1 3.50 0.015 . 1 . . . . . . . . 4680 1 506 . 1 1 49 49 PRO HD3 H 1 3.50 0.015 . 1 . . . . . . . . 4680 1 507 . 1 1 49 49 PRO C C 13 175.23 0.15 . 1 . . . . . . . . 4680 1 508 . 1 1 49 49 PRO CA C 13 63.08 0.15 . 1 . . . . . . . . 4680 1 509 . 1 1 49 49 PRO CB C 13 30.88 0.15 . 1 . . . . . . . . 4680 1 510 . 1 1 49 49 PRO CG C 13 28.91 0.15 . 1 . . . . . . . . 4680 1 511 . 1 1 49 49 PRO CD C 13 49.65 0.15 . 1 . . . . . . . . 4680 1 512 . 1 1 50 50 GLY H H 1 9.04 0.015 . 1 . . . . . . . . 4680 1 513 . 1 1 50 50 GLY HA2 H 1 4.39 0.015 . 2 . . . . . . . . 4680 1 514 . 1 1 50 50 GLY HA3 H 1 3.30 0.015 . 2 . . . . . . . . 4680 1 515 . 1 1 50 50 GLY C C 13 172.52 0.15 . 1 . . . . . . . . 4680 1 516 . 1 1 50 50 GLY CA C 13 44.27 0.15 . 1 . . . . . . . . 4680 1 517 . 1 1 50 50 GLY N N 15 114.15 0.2 . 1 . . . . . . . . 4680 1 518 . 1 1 51 51 ASP H H 1 8.02 0.015 . 1 . . . . . . . . 4680 1 519 . 1 1 51 51 ASP HA H 1 4.44 0.015 . 1 . . . . . . . . 4680 1 520 . 1 1 51 51 ASP HB2 H 1 2.63 0.015 . 1 . . . . . . . . 4680 1 521 . 1 1 51 51 ASP HB3 H 1 2.52 0.015 . 1 . . . . . . . . 4680 1 522 . 1 1 51 51 ASP C C 13 172.78 0.15 . 1 . . . . . . . . 4680 1 523 . 1 1 51 51 ASP CA C 13 54.90 0.15 . 1 . . . . . . . . 4680 1 524 . 1 1 51 51 ASP CB C 13 40.53 0.15 . 1 . . . . . . . . 4680 1 525 . 1 1 51 51 ASP N N 15 122.57 0.2 . 1 . . . . . . . . 4680 1 526 . 1 1 52 52 LYS H H 1 8.45 0.015 . 1 . . . . . . . . 4680 1 527 . 1 1 52 52 LYS HA H 1 4.88 0.015 . 1 . . . . . . . . 4680 1 528 . 1 1 52 52 LYS HB2 H 1 1.45 0.015 . 1 . . . . . . . . 4680 1 529 . 1 1 52 52 LYS HB3 H 1 1.45 0.015 . 1 . . . . . . . . 4680 1 530 . 1 1 52 52 LYS HG2 H 1 1.31 0.015 . 2 . . . . . . . . 4680 1 531 . 1 1 52 52 LYS HG3 H 1 1.01 0.015 . 2 . . . . . . . . 4680 1 532 . 1 1 52 52 LYS HD2 H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 533 . 1 1 52 52 LYS HD3 H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 534 . 1 1 52 52 LYS HE2 H 1 2.81 0.015 . 1 . . . . . . . . 4680 1 535 . 1 1 52 52 LYS HE3 H 1 2.81 0.015 . 1 . . . . . . . . 4680 1 536 . 1 1 52 52 LYS C C 13 174.08 0.15 . 1 . . . . . . . . 4680 1 537 . 1 1 52 52 LYS CA C 13 54.74 0.15 . 1 . . . . . . . . 4680 1 538 . 1 1 52 52 LYS CB C 13 33.78 0.15 . 1 . . . . . . . . 4680 1 539 . 1 1 52 52 LYS N N 15 118.87 0.2 . 1 . . . . . . . . 4680 1 540 . 1 1 53 53 LEU H H 1 9.13 0.015 . 1 . . . . . . . . 4680 1 541 . 1 1 53 53 LEU HA H 1 4.63 0.015 . 1 . . . . . . . . 4680 1 542 . 1 1 53 53 LEU HB2 H 1 1.49 0.015 . 1 . . . . . . . . 4680 1 543 . 1 1 53 53 LEU HB3 H 1 1.19 0.015 . 1 . . . . . . . . 4680 1 544 . 1 1 53 53 LEU HG H 1 1.45 0.015 . 1 . . . . . . . . 4680 1 545 . 1 1 53 53 LEU HD11 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 546 . 1 1 53 53 LEU HD12 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 547 . 1 1 53 53 LEU HD13 H 1 0.72 0.015 . 1 . . . . . . . . 4680 1 548 . 1 1 53 53 LEU HD21 H 1 0.70 0.015 . 1 . . . . . . . . 4680 1 549 . 1 1 53 53 LEU HD22 H 1 0.70 0.015 . 1 . . . . . . . . 4680 1 550 . 1 1 53 53 LEU HD23 H 1 0.70 0.015 . 1 . . . . . . . . 4680 1 551 . 1 1 53 53 LEU C C 13 173.8 0.15 . 1 . . . . . . . . 4680 1 552 . 1 1 53 53 LEU CA C 13 52.2 0.15 . 1 . . . . . . . . 4680 1 553 . 1 1 53 53 LEU CB C 13 45.2 0.15 . 1 . . . . . . . . 4680 1 554 . 1 1 53 53 LEU CG C 13 26.3 0.15 . 1 . . . . . . . . 4680 1 555 . 1 1 53 53 LEU CD1 C 13 26.6 0.15 . 1 . . . . . . . . 4680 1 556 . 1 1 53 53 LEU CD2 C 13 22.5 0.15 . 1 . . . . . . . . 4680 1 557 . 1 1 53 53 LEU N N 15 122.8 0.2 . 1 . . . . . . . . 4680 1 558 . 1 1 54 54 THR H H 1 9.75 0.015 . 1 . . . . . . . . 4680 1 559 . 1 1 54 54 THR HA H 1 4.53 0.015 . 1 . . . . . . . . 4680 1 560 . 1 1 54 54 THR HB H 1 3.72 0.015 . 1 . . . . . . . . 4680 1 561 . 1 1 54 54 THR HG21 H 1 0.59 0.015 . 1 . . . . . . . . 4680 1 562 . 1 1 54 54 THR HG22 H 1 0.59 0.015 . 1 . . . . . . . . 4680 1 563 . 1 1 54 54 THR HG23 H 1 0.59 0.015 . 1 . . . . . . . . 4680 1 564 . 1 1 54 54 THR C C 13 172.12 0.15 . 1 . . . . . . . . 4680 1 565 . 1 1 54 54 THR CA C 13 62.32 0.15 . 1 . . . . . . . . 4680 1 566 . 1 1 54 54 THR CB C 13 69.16 0.15 . 1 . . . . . . . . 4680 1 567 . 1 1 54 54 THR CG2 C 13 21.4 0.15 . 1 . . . . . . . . 4680 1 568 . 1 1 54 54 THR N N 15 120.8 0.2 . 1 . . . . . . . . 4680 1 569 . 1 1 55 55 LEU H H 1 8.44 0.015 . 1 . . . . . . . . 4680 1 570 . 1 1 55 55 LEU HA H 1 4.55 0.015 . 1 . . . . . . . . 4680 1 571 . 1 1 55 55 LEU HB2 H 1 1.21 0.015 . 2 . . . . . . . . 4680 1 572 . 1 1 55 55 LEU HB3 H 1 0.87 0.015 . 2 . . . . . . . . 4680 1 573 . 1 1 55 55 LEU HG H 1 1.18 0.015 . 1 . . . . . . . . 4680 1 574 . 1 1 55 55 LEU HD11 H 1 -.10 0.015 . 1 . . . . . . . . 4680 1 575 . 1 1 55 55 LEU HD12 H 1 -.10 0.015 . 1 . . . . . . . . 4680 1 576 . 1 1 55 55 LEU HD13 H 1 -.10 0.015 . 1 . . . . . . . . 4680 1 577 . 1 1 55 55 LEU HD21 H 1 0.67 0.015 . 1 . . . . . . . . 4680 1 578 . 1 1 55 55 LEU HD22 H 1 0.67 0.015 . 1 . . . . . . . . 4680 1 579 . 1 1 55 55 LEU HD23 H 1 0.67 0.015 . 1 . . . . . . . . 4680 1 580 . 1 1 55 55 LEU CA C 13 52.5 0.15 . 1 . . . . . . . . 4680 1 581 . 1 1 55 55 LEU CB C 13 44.6 0.15 . 1 . . . . . . . . 4680 1 582 . 1 1 55 55 LEU CG C 13 24.7 0.15 . 1 . . . . . . . . 4680 1 583 . 1 1 55 55 LEU CD1 C 13 24.5 0.15 . 1 . . . . . . . . 4680 1 584 . 1 1 55 55 LEU CD2 C 13 24.7 0.15 . 1 . . . . . . . . 4680 1 585 . 1 1 55 55 LEU N N 15 123.90 0.2 . 1 . . . . . . . . 4680 1 586 . 1 1 56 56 PHE HA H 1 4.34 0.015 . 1 . . . . . . . . 4680 1 587 . 1 1 56 56 PHE HB2 H 1 2.47 0.015 . 2 . . . . . . . . 4680 1 588 . 1 1 56 56 PHE HB3 H 1 1.75 0.015 . 2 . . . . . . . . 4680 1 589 . 1 1 56 56 PHE HD1 H 1 5.74 0.015 . 1 . . . . . . . . 4680 1 590 . 1 1 56 56 PHE HD2 H 1 5.74 0.015 . 1 . . . . . . . . 4680 1 591 . 1 1 56 56 PHE HE1 H 1 6.83 0.015 . 1 . . . . . . . . 4680 1 592 . 1 1 56 56 PHE HE2 H 1 6.83 0.015 . 1 . . . . . . . . 4680 1 593 . 1 1 56 56 PHE HZ H 1 6.95 0.015 . 1 . . . . . . . . 4680 1 594 . 1 1 56 56 PHE C C 13 173.37 0.15 . 1 . . . . . . . . 4680 1 595 . 1 1 56 56 PHE CA C 13 56.37 0.15 . 1 . . . . . . . . 4680 1 596 . 1 1 56 56 PHE CB C 13 37.85 0.15 . 1 . . . . . . . . 4680 1 597 . 1 1 56 56 PHE CD1 C 13 131.1 0.15 . 1 . . . . . . . . 4680 1 598 . 1 1 56 56 PHE CD2 C 13 131.1 0.15 . 1 . . . . . . . . 4680 1 599 . 1 1 56 56 PHE CE1 C 13 131.0 0.15 . 1 . . . . . . . . 4680 1 600 . 1 1 56 56 PHE CE2 C 13 131.0 0.15 . 1 . . . . . . . . 4680 1 601 . 1 1 56 56 PHE CZ C 13 129.2 0.15 . 1 . . . . . . . . 4680 1 602 . 1 1 57 57 VAL H H 1 7.73 0.015 . 1 . . . . . . . . 4680 1 603 . 1 1 57 57 VAL HA H 1 4.32 0.015 . 1 . . . . . . . . 4680 1 604 . 1 1 57 57 VAL HB H 1 2.07 0.015 . 1 . . . . . . . . 4680 1 605 . 1 1 57 57 VAL HG11 H 1 0.85 0.015 . 1 . . . . . . . . 4680 1 606 . 1 1 57 57 VAL HG12 H 1 0.85 0.015 . 1 . . . . . . . . 4680 1 607 . 1 1 57 57 VAL HG13 H 1 0.85 0.015 . 1 . . . . . . . . 4680 1 608 . 1 1 57 57 VAL HG21 H 1 0.70 0.015 . 1 . . . . . . . . 4680 1 609 . 1 1 57 57 VAL HG22 H 1 0.70 0.015 . 1 . . . . . . . . 4680 1 610 . 1 1 57 57 VAL HG23 H 1 0.70 0.015 . 1 . . . . . . . . 4680 1 611 . 1 1 57 57 VAL C C 13 173.15 0.15 . 1 . . . . . . . . 4680 1 612 . 1 1 57 57 VAL CA C 13 59.63 0.15 . 1 . . . . . . . . 4680 1 613 . 1 1 57 57 VAL CB C 13 33.71 0.15 . 1 . . . . . . . . 4680 1 614 . 1 1 57 57 VAL CG1 C 13 21.4 0.15 . 1 . . . . . . . . 4680 1 615 . 1 1 57 57 VAL CG2 C 13 19.0 0.15 . 1 . . . . . . . . 4680 1 616 . 1 1 57 57 VAL N N 15 117.0 0.2 . 1 . . . . . . . . 4680 1 617 . 1 1 58 58 LYS H H 1 8.33 0.015 . 1 . . . . . . . . 4680 1 618 . 1 1 58 58 LYS HA H 1 4.31 0.015 . 1 . . . . . . . . 4680 1 619 . 1 1 58 58 LYS HB2 H 1 1.72 0.015 . 1 . . . . . . . . 4680 1 620 . 1 1 58 58 LYS HB3 H 1 1.72 0.015 . 1 . . . . . . . . 4680 1 621 . 1 1 58 58 LYS C C 13 174.50 0.15 . 1 . . . . . . . . 4680 1 622 . 1 1 58 58 LYS CA C 13 55.55 0.15 . 1 . . . . . . . . 4680 1 623 . 1 1 58 58 LYS CB C 13 32.77 0.15 . 1 . . . . . . . . 4680 1 624 . 1 1 58 58 LYS N N 15 123.30 0.2 . 1 . . . . . . . . 4680 1 625 . 1 1 59 59 ASN H H 1 8.46 0.015 . 1 . . . . . . . . 4680 1 626 . 1 1 59 59 ASN HA H 1 4.59 0.015 . 1 . . . . . . . . 4680 1 627 . 1 1 59 59 ASN HB2 H 1 2.70 0.015 . 1 . . . . . . . . 4680 1 628 . 1 1 59 59 ASN HB3 H 1 2.70 0.015 . 1 . . . . . . . . 4680 1 629 . 1 1 59 59 ASN CA C 13 52.55 0.15 . 1 . . . . . . . . 4680 1 630 . 1 1 59 59 ASN CB C 13 38.37 0.15 . 1 . . . . . . . . 4680 1 631 . 1 1 59 59 ASN N N 15 120.4 0.2 . 1 . . . . . . . . 4680 1 632 . 1 1 60 60 ASN H H 1 8.36 0.015 . 1 . . . . . . . . 4680 1 633 . 1 1 60 60 ASN HA H 1 4.64 0.015 . 1 . . . . . . . . 4680 1 634 . 1 1 60 60 ASN HB2 H 1 2.69 0.015 . 1 . . . . . . . . 4680 1 635 . 1 1 60 60 ASN HB3 H 1 2.69 0.015 . 1 . . . . . . . . 4680 1 636 . 1 1 60 60 ASN CA C 13 52.87 0.15 . 1 . . . . . . . . 4680 1 637 . 1 1 60 60 ASN CB C 13 38.38 0.15 . 1 . . . . . . . . 4680 1 638 . 1 1 60 60 ASN N N 15 119.3 0.2 . 1 . . . . . . . . 4680 1 639 . 1 1 61 61 ASN H H 1 8.35 0.015 . 1 . . . . . . . . 4680 1 640 . 1 1 61 61 ASN HA H 1 4.57 0.015 . 1 . . . . . . . . 4680 1 641 . 1 1 61 61 ASN HB2 H 1 2.66 0.015 . 1 . . . . . . . . 4680 1 642 . 1 1 61 61 ASN HB3 H 1 2.66 0.015 . 1 . . . . . . . . 4680 1 643 . 1 1 61 61 ASN CA C 13 52.9 0.15 . 1 . . . . . . . . 4680 1 644 . 1 1 61 61 ASN CB C 13 38.4 0.15 . 1 . . . . . . . . 4680 1 645 . 1 1 61 61 ASN N N 15 118.30 0.2 . 1 . . . . . . . . 4680 1 646 . 1 1 62 62 MET H H 1 8.12 0.015 . 1 . . . . . . . . 4680 1 647 . 1 1 62 62 MET HA H 1 4.69 0.015 . 1 . . . . . . . . 4680 1 648 . 1 1 62 62 MET HB2 H 1 1.97 0.015 . 2 . . . . . . . . 4680 1 649 . 1 1 62 62 MET HB3 H 1 1.87 0.015 . 2 . . . . . . . . 4680 1 650 . 1 1 62 62 MET HG2 H 1 2.54 0.015 . 2 . . . . . . . . 4680 1 651 . 1 1 62 62 MET HG3 H 1 2.45 0.015 . 2 . . . . . . . . 4680 1 652 . 1 1 62 62 MET HE1 H 1 2.00 0.015 . 1 . . . . . . . . 4680 1 653 . 1 1 62 62 MET HE2 H 1 2.00 0.015 . 1 . . . . . . . . 4680 1 654 . 1 1 62 62 MET HE3 H 1 2.00 0.015 . 1 . . . . . . . . 4680 1 655 . 1 1 62 62 MET CG C 13 31.5 0.15 . 1 . . . . . . . . 4680 1 656 . 1 1 62 62 MET CE C 13 16.5 0.15 . 1 . . . . . . . . 4680 1 657 . 1 1 62 62 MET N N 15 121.0 0.2 . 1 . . . . . . . . 4680 1 658 . 1 1 63 63 PRO HA H 1 4.35 0.015 . 1 . . . . . . . . 4680 1 659 . 1 1 63 63 PRO HB2 H 1 2.22 0.015 . 2 . . . . . . . . 4680 1 660 . 1 1 63 63 PRO HB3 H 1 1.90 0.015 . 2 . . . . . . . . 4680 1 661 . 1 1 63 63 PRO HG2 H 1 2.24 0.015 . 1 . . . . . . . . 4680 1 662 . 1 1 63 63 PRO HG3 H 1 2.24 0.015 . 1 . . . . . . . . 4680 1 663 . 1 1 63 63 PRO HD2 H 1 3.61 0.015 . 2 . . . . . . . . 4680 1 664 . 1 1 63 63 PRO HD3 H 1 3.70 0.015 . 2 . . . . . . . . 4680 1 665 . 1 1 63 63 PRO CA C 13 62.7 0.15 . 1 . . . . . . . . 4680 1 666 . 1 1 63 63 PRO CB C 13 31.8 0.15 . 1 . . . . . . . . 4680 1 667 . 1 1 63 63 PRO CD C 13 50.1 0.15 . 1 . . . . . . . . 4680 1 668 . 1 1 64 64 ASP H H 1 8.43 0.015 . 1 . . . . . . . . 4680 1 669 . 1 1 64 64 ASP HA H 1 4.51 0.015 . 1 . . . . . . . . 4680 1 670 . 1 1 64 64 ASP HB2 H 1 2.61 0.015 . 2 . . . . . . . . 4680 1 671 . 1 1 64 64 ASP HB3 H 1 2.54 0.015 . 2 . . . . . . . . 4680 1 672 . 1 1 64 64 ASP CA C 13 54.0 0.15 . 1 . . . . . . . . 4680 1 673 . 1 1 64 64 ASP CB C 13 40.6 0.15 . 1 . . . . . . . . 4680 1 674 . 1 1 64 64 ASP N N 15 120.6 0.2 . 1 . . . . . . . . 4680 1 675 . 1 1 65 65 SER H H 1 7.76 0.015 . 1 . . . . . . . . 4680 1 676 . 1 1 65 65 SER HA H 1 4.12 0.015 . 1 . . . . . . . . 4680 1 677 . 1 1 65 65 SER HB2 H 1 3.73 0.015 . 1 . . . . . . . . 4680 1 678 . 1 1 65 65 SER HB3 H 1 3.73 0.015 . 1 . . . . . . . . 4680 1 679 . 1 1 65 65 SER N N 15 120.3 0.2 . 1 . . . . . . . . 4680 1 stop_ save_