data_4540 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4540 _Entry.Title ; Averaged NMR model of switch ARC, a double mutant of ARC repressor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-07-02 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 2000-06-16 _Entry.Original_release_date 2000-06-16 _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 M. Cordes . H.J. . 4540 2 N. Walsh . P. . 4540 3 C. McKnight . J. . 4540 4 R. Sauer . T. . 4540 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4540 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 66 4540 '1H chemical shifts' 403 4540 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 . . 2000-06-16 1999-07-02 original author . 4540 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1NLA 'BMRB Entry Tracking System' 4540 PDB 1QTG 'BMRB Entry Tracking System' 4540 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4540 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99212145 _Citation.DOI . _Citation.PubMed_ID 10195898 _Citation.Full_citation . _Citation.Title 'Evolution of a protein fold in vitro' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 284 _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 325 _Citation.Page_last 328 _Citation.Year 1999 _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 M. Cordes . H.J. . 4540 1 2 N. Walsh . P. . 4540 1 3 C. McKnight . J. . 4540 1 4 R. Sauer . T. . 4540 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta sheet' 4540 1 'right-handed helix' 4540 1 'structural change' 4540 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ARC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ARC _Assembly.Entry_ID 4540 _Assembly.ID 1 _Assembly.Name 'ARC repressor' _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 4540 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 'ARC Repressor' 1 $ARC . . . native . . . . . 4540 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 1QTG . 'A Chain A, Averaged Nmr Model Of Switch Arc, A Double Mutant Of Arc Repressor' . . . . 4540 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ARC abbreviation 4540 1 'ARC repressor' system 4540 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARC _Entity.Sf_category entity _Entity.Sf_framecode ARC _Entity.Entry_ID 4540 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ARC Repressor' _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 ; MKGMSKMPQFLNRWPREVLD LVRKVAEENGRSVNSEIYQR VMESFKKEGRIGAHHHHHHK NQHE ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1NLA . "Solution Structure Of Switch Arc, A Mutant With 3(10) Helices Replacing A Wild-Type Beta-Ribbon" . . . . . 100.00 64 100.00 100.00 4.23e-38 . . . . 4540 1 2 no PDB 1QTG . "Averaged Nmr Model Of Switch Arc, A Double Mutant Of Arc Repressor" . . . . . 82.81 53 100.00 100.00 9.64e-30 . . . . 4540 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ARC abbreviation 4540 1 'ARC Repressor' common 4540 1 'ARC Repressor double mutant' variant 4540 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4540 1 2 . LYS . 4540 1 3 . GLY . 4540 1 4 . MET . 4540 1 5 . SER . 4540 1 6 . LYS . 4540 1 7 . MET . 4540 1 8 . PRO . 4540 1 9 . GLN . 4540 1 10 . PHE . 4540 1 11 . LEU . 4540 1 12 . ASN . 4540 1 13 . ARG . 4540 1 14 . TRP . 4540 1 15 . PRO . 4540 1 16 . ARG . 4540 1 17 . GLU . 4540 1 18 . VAL . 4540 1 19 . LEU . 4540 1 20 . ASP . 4540 1 21 . LEU . 4540 1 22 . VAL . 4540 1 23 . ARG . 4540 1 24 . LYS . 4540 1 25 . VAL . 4540 1 26 . ALA . 4540 1 27 . GLU . 4540 1 28 . GLU . 4540 1 29 . ASN . 4540 1 30 . GLY . 4540 1 31 . ARG . 4540 1 32 . SER . 4540 1 33 . VAL . 4540 1 34 . ASN . 4540 1 35 . SER . 4540 1 36 . GLU . 4540 1 37 . ILE . 4540 1 38 . TYR . 4540 1 39 . GLN . 4540 1 40 . ARG . 4540 1 41 . VAL . 4540 1 42 . MET . 4540 1 43 . GLU . 4540 1 44 . SER . 4540 1 45 . PHE . 4540 1 46 . LYS . 4540 1 47 . LYS . 4540 1 48 . GLU . 4540 1 49 . GLY . 4540 1 50 . ARG . 4540 1 51 . ILE . 4540 1 52 . GLY . 4540 1 53 . ALA . 4540 1 54 . HIS . 4540 1 55 . HIS . 4540 1 56 . HIS . 4540 1 57 . HIS . 4540 1 58 . HIS . 4540 1 59 . HIS . 4540 1 60 . LYS . 4540 1 61 . ASN . 4540 1 62 . GLN . 4540 1 63 . HIS . 4540 1 64 . GLU . 4540 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4540 1 . LYS 2 2 4540 1 . GLY 3 3 4540 1 . MET 4 4 4540 1 . SER 5 5 4540 1 . LYS 6 6 4540 1 . MET 7 7 4540 1 . PRO 8 8 4540 1 . GLN 9 9 4540 1 . PHE 10 10 4540 1 . LEU 11 11 4540 1 . ASN 12 12 4540 1 . ARG 13 13 4540 1 . TRP 14 14 4540 1 . PRO 15 15 4540 1 . ARG 16 16 4540 1 . GLU 17 17 4540 1 . VAL 18 18 4540 1 . LEU 19 19 4540 1 . ASP 20 20 4540 1 . LEU 21 21 4540 1 . VAL 22 22 4540 1 . ARG 23 23 4540 1 . LYS 24 24 4540 1 . VAL 25 25 4540 1 . ALA 26 26 4540 1 . GLU 27 27 4540 1 . GLU 28 28 4540 1 . ASN 29 29 4540 1 . GLY 30 30 4540 1 . ARG 31 31 4540 1 . SER 32 32 4540 1 . VAL 33 33 4540 1 . ASN 34 34 4540 1 . SER 35 35 4540 1 . GLU 36 36 4540 1 . ILE 37 37 4540 1 . TYR 38 38 4540 1 . GLN 39 39 4540 1 . ARG 40 40 4540 1 . VAL 41 41 4540 1 . MET 42 42 4540 1 . GLU 43 43 4540 1 . SER 44 44 4540 1 . PHE 45 45 4540 1 . LYS 46 46 4540 1 . LYS 47 47 4540 1 . GLU 48 48 4540 1 . GLY 49 49 4540 1 . ARG 50 50 4540 1 . ILE 51 51 4540 1 . GLY 52 52 4540 1 . ALA 53 53 4540 1 . HIS 54 54 4540 1 . HIS 55 55 4540 1 . HIS 56 56 4540 1 . HIS 57 57 4540 1 . HIS 58 58 4540 1 . HIS 59 59 4540 1 . LYS 60 60 4540 1 . ASN 61 61 4540 1 . GLN 62 62 4540 1 . HIS 63 63 4540 1 . GLU 64 64 4540 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 4540 _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 $ARC . 10754 . . P22 'Bacteriophage P22' . . . . . P22 . . . . . . . . . . . . . . . . . . . . . 4540 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 4540 _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 $ARC . 'recombinant technology' 'Escherichia coli' 'E. coil' . . Escherichia coli . . . . . . . . . . . . . . . . pET800-SWITCH_ARC . . . . . . 4540 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4540 _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 'ARC Repressor' . . . 1 $ARC . . . . . mM . . . . 4540 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4540 _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 . . n/a 4540 1 pressure . . atm 4540 1 temperature . . K 4540 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 4540 _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 4540 _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' . . 4540 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 4540 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 4540 _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 H 1 . . . . . . . . . . . . . . . . . . . . 4540 1 N 15 . . . . . . . . . . . . . . . . . . . . 4540 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4540 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_1 _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 . 4540 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 LYS HA H 1 4.52 0.02 . 1 . . . . . . . . 4540 1 2 . 1 1 2 2 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 4540 1 3 . 1 1 2 2 LYS HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4540 1 4 . 1 1 3 3 GLY H H 1 8.66 0.02 . 1 . . . . . . . . 4540 1 5 . 1 1 3 3 GLY HA2 H 1 4.09 0.02 . 1 . . . . . . . . 4540 1 6 . 1 1 3 3 GLY HA3 H 1 4.09 0.02 . 1 . . . . . . . . 4540 1 7 . 1 1 3 3 GLY N N 15 110.86 0.10 . 1 . . . . . . . . 4540 1 8 . 1 1 4 4 MET H H 1 8.38 0.02 . 1 . . . . . . . . 4540 1 9 . 1 1 4 4 MET HA H 1 4.65 0.02 . 1 . . . . . . . . 4540 1 10 . 1 1 4 4 MET HB2 H 1 2.12 0.02 . 2 . . . . . . . . 4540 1 11 . 1 1 4 4 MET HB3 H 1 2.21 0.02 . 2 . . . . . . . . 4540 1 12 . 1 1 4 4 MET HG2 H 1 2.69 0.02 . 1 . . . . . . . . 4540 1 13 . 1 1 4 4 MET HG3 H 1 2.69 0.02 . 1 . . . . . . . . 4540 1 14 . 1 1 4 4 MET N N 15 120.11 0.10 . 1 . . . . . . . . 4540 1 15 . 1 1 5 5 SER H H 1 8.55 0.02 . 1 . . . . . . . . 4540 1 16 . 1 1 5 5 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 4540 1 17 . 1 1 5 5 SER HB2 H 1 3.99 0.02 . 1 . . . . . . . . 4540 1 18 . 1 1 5 5 SER HB3 H 1 3.99 0.02 . 1 . . . . . . . . 4540 1 19 . 1 1 5 5 SER N N 15 118.36 0.10 . 1 . . . . . . . . 4540 1 20 . 1 1 6 6 LYS H H 1 8.44 0.02 . 1 . . . . . . . . 4540 1 21 . 1 1 6 6 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . 4540 1 22 . 1 1 6 6 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4540 1 23 . 1 1 6 6 LYS HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4540 1 24 . 1 1 6 6 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4540 1 25 . 1 1 6 6 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 4540 1 26 . 1 1 6 6 LYS HE2 H 1 3.11 0.02 . 1 . . . . . . . . 4540 1 27 . 1 1 6 6 LYS HE3 H 1 3.11 0.02 . 1 . . . . . . . . 4540 1 28 . 1 1 6 6 LYS N N 15 123.14 0.10 . 1 . . . . . . . . 4540 1 29 . 1 1 7 7 MET H H 1 8.54 0.02 . 1 . . . . . . . . 4540 1 30 . 1 1 7 7 MET HA H 1 4.89 0.02 . 1 . . . . . . . . 4540 1 31 . 1 1 7 7 MET HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4540 1 32 . 1 1 7 7 MET HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4540 1 33 . 1 1 7 7 MET HG2 H 1 2.66 0.02 . 1 . . . . . . . . 4540 1 34 . 1 1 7 7 MET HG3 H 1 2.66 0.02 . 1 . . . . . . . . 4540 1 35 . 1 1 7 7 MET N N 15 123.15 0.10 . 1 . . . . . . . . 4540 1 36 . 1 1 8 8 PRO HA H 1 4.58 0.02 . 1 . . . . . . . . 4540 1 37 . 1 1 8 8 PRO HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4540 1 38 . 1 1 8 8 PRO HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4540 1 39 . 1 1 8 8 PRO HG2 H 1 1.98 0.02 . 2 . . . . . . . . 4540 1 40 . 1 1 8 8 PRO HG3 H 1 2.26 0.02 . 2 . . . . . . . . 4540 1 41 . 1 1 8 8 PRO HD2 H 1 3.66 0.02 . 2 . . . . . . . . 4540 1 42 . 1 1 8 8 PRO HD3 H 1 4.09 0.02 . 2 . . . . . . . . 4540 1 43 . 1 1 9 9 GLN H H 1 8.83 0.02 . 1 . . . . . . . . 4540 1 44 . 1 1 9 9 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 4540 1 45 . 1 1 9 9 GLN HB2 H 1 2.24 0.02 . 1 . . . . . . . . 4540 1 46 . 1 1 9 9 GLN HB3 H 1 2.24 0.02 . 1 . . . . . . . . 4540 1 47 . 1 1 9 9 GLN HG2 H 1 2.56 0.02 . 1 . . . . . . . . 4540 1 48 . 1 1 9 9 GLN HG3 H 1 2.56 0.02 . 1 . . . . . . . . 4540 1 49 . 1 1 9 9 GLN HE21 H 1 7.00 0.02 . 2 . . . . . . . . 4540 1 50 . 1 1 9 9 GLN HE22 H 1 7.66 0.02 . 2 . . . . . . . . 4540 1 51 . 1 1 9 9 GLN N N 15 124.13 0.10 . 1 . . . . . . . . 4540 1 52 . 1 1 9 9 GLN NE2 N 15 112.45 0.10 . 1 . . . . . . . . 4540 1 53 . 1 1 10 10 PHE H H 1 8.32 0.02 . 1 . . . . . . . . 4540 1 54 . 1 1 10 10 PHE HA H 1 4.24 0.02 . 1 . . . . . . . . 4540 1 55 . 1 1 10 10 PHE HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4540 1 56 . 1 1 10 10 PHE HB3 H 1 3.46 0.02 . 2 . . . . . . . . 4540 1 57 . 1 1 10 10 PHE HD1 H 1 6.86 0.02 . 1 . . . . . . . . 4540 1 58 . 1 1 10 10 PHE HD2 H 1 6.86 0.02 . 1 . . . . . . . . 4540 1 59 . 1 1 10 10 PHE HE1 H 1 7.21 0.02 . 1 . . . . . . . . 4540 1 60 . 1 1 10 10 PHE HE2 H 1 7.21 0.02 . 1 . . . . . . . . 4540 1 61 . 1 1 10 10 PHE HZ H 1 7.22 0.02 . 1 . . . . . . . . 4540 1 62 . 1 1 10 10 PHE N N 15 118.46 0.10 . 1 . . . . . . . . 4540 1 63 . 1 1 11 11 LEU H H 1 7.18 0.02 . 1 . . . . . . . . 4540 1 64 . 1 1 11 11 LEU HA H 1 3.44 0.02 . 1 . . . . . . . . 4540 1 65 . 1 1 11 11 LEU HB2 H 1 1.26 0.02 . 1 . . . . . . . . 4540 1 66 . 1 1 11 11 LEU HB3 H 1 1.26 0.02 . 1 . . . . . . . . 4540 1 67 . 1 1 11 11 LEU HG H 1 0.75 0.02 . 1 . . . . . . . . 4540 1 68 . 1 1 11 11 LEU HD11 H 1 0.53 0.02 . 2 . . . . . . . . 4540 1 69 . 1 1 11 11 LEU HD12 H 1 0.53 0.02 . 2 . . . . . . . . 4540 1 70 . 1 1 11 11 LEU HD13 H 1 0.53 0.02 . 2 . . . . . . . . 4540 1 71 . 1 1 11 11 LEU HD21 H 1 -0.31 0.02 . 2 . . . . . . . . 4540 1 72 . 1 1 11 11 LEU HD22 H 1 -0.31 0.02 . 2 . . . . . . . . 4540 1 73 . 1 1 11 11 LEU HD23 H 1 -0.31 0.02 . 2 . . . . . . . . 4540 1 74 . 1 1 11 11 LEU N N 15 115.20 0.10 . 1 . . . . . . . . 4540 1 75 . 1 1 12 12 ASN H H 1 7.62 0.02 . 1 . . . . . . . . 4540 1 76 . 1 1 12 12 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 4540 1 77 . 1 1 12 12 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 4540 1 78 . 1 1 12 12 ASN HB3 H 1 2.97 0.02 . 2 . . . . . . . . 4540 1 79 . 1 1 12 12 ASN HD21 H 1 6.90 0.02 . 2 . . . . . . . . 4540 1 80 . 1 1 12 12 ASN HD22 H 1 7.59 0.02 . 2 . . . . . . . . 4540 1 81 . 1 1 12 12 ASN N N 15 116.78 0.10 . 1 . . . . . . . . 4540 1 82 . 1 1 12 12 ASN ND2 N 15 110.87 0.10 . 1 . . . . . . . . 4540 1 83 . 1 1 13 13 ARG H H 1 9.05 0.02 . 1 . . . . . . . . 4540 1 84 . 1 1 13 13 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 4540 1 85 . 1 1 13 13 ARG HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4540 1 86 . 1 1 13 13 ARG HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4540 1 87 . 1 1 13 13 ARG HG2 H 1 1.86 0.02 . 1 . . . . . . . . 4540 1 88 . 1 1 13 13 ARG HG3 H 1 1.86 0.02 . 1 . . . . . . . . 4540 1 89 . 1 1 13 13 ARG HD2 H 1 3.37 0.02 . 1 . . . . . . . . 4540 1 90 . 1 1 13 13 ARG HD3 H 1 3.37 0.02 . 1 . . . . . . . . 4540 1 91 . 1 1 13 13 ARG HE H 1 7.64 0.02 . 1 . . . . . . . . 4540 1 92 . 1 1 13 13 ARG N N 15 127.06 0.10 . 1 . . . . . . . . 4540 1 93 . 1 1 13 13 ARG NE N 15 84.91 0.10 . 1 . . . . . . . . 4540 1 94 . 1 1 14 14 TRP H H 1 8.16 0.02 . 1 . . . . . . . . 4540 1 95 . 1 1 14 14 TRP HA H 1 4.74 0.02 . 1 . . . . . . . . 4540 1 96 . 1 1 14 14 TRP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4540 1 97 . 1 1 14 14 TRP HB3 H 1 3.41 0.02 . 2 . . . . . . . . 4540 1 98 . 1 1 14 14 TRP HD1 H 1 7.12 0.02 . 1 . . . . . . . . 4540 1 99 . 1 1 14 14 TRP HE1 H 1 10.43 0.02 . 1 . . . . . . . . 4540 1 100 . 1 1 14 14 TRP HE3 H 1 7.54 0.02 . 1 . . . . . . . . 4540 1 101 . 1 1 14 14 TRP HZ2 H 1 7.47 0.02 . 1 . . . . . . . . 4540 1 102 . 1 1 14 14 TRP HZ3 H 1 7.02 0.02 . 1 . . . . . . . . 4540 1 103 . 1 1 14 14 TRP HH2 H 1 7.13 0.02 . 1 . . . . . . . . 4540 1 104 . 1 1 14 14 TRP N N 15 124.20 0.10 . 1 . . . . . . . . 4540 1 105 . 1 1 14 14 TRP NE1 N 15 129.79 0.10 . 1 . . . . . . . . 4540 1 106 . 1 1 15 15 PRO HA H 1 4.59 0.02 . 1 . . . . . . . . 4540 1 107 . 1 1 15 15 PRO HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4540 1 108 . 1 1 15 15 PRO HB3 H 1 2.68 0.02 . 2 . . . . . . . . 4540 1 109 . 1 1 15 15 PRO HG2 H 1 2.16 0.02 . 2 . . . . . . . . 4540 1 110 . 1 1 15 15 PRO HG3 H 1 2.32 0.02 . 2 . . . . . . . . 4540 1 111 . 1 1 15 15 PRO HD2 H 1 3.47 0.02 . 2 . . . . . . . . 4540 1 112 . 1 1 15 15 PRO HD3 H 1 3.79 0.02 . 2 . . . . . . . . 4540 1 113 . 1 1 16 16 ARG H H 1 9.05 0.02 . 1 . . . . . . . . 4540 1 114 . 1 1 16 16 ARG HA H 1 4.06 0.02 . 1 . . . . . . . . 4540 1 115 . 1 1 16 16 ARG HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4540 1 116 . 1 1 16 16 ARG HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4540 1 117 . 1 1 16 16 ARG HG2 H 1 1.86 0.02 . 1 . . . . . . . . 4540 1 118 . 1 1 16 16 ARG HG3 H 1 1.86 0.02 . 1 . . . . . . . . 4540 1 119 . 1 1 16 16 ARG HD2 H 1 3.37 0.02 . 1 . . . . . . . . 4540 1 120 . 1 1 16 16 ARG HD3 H 1 3.37 0.02 . 1 . . . . . . . . 4540 1 121 . 1 1 16 16 ARG HE H 1 7.64 0.02 . 1 . . . . . . . . 4540 1 122 . 1 1 16 16 ARG N N 15 127.06 0.10 . 1 . . . . . . . . 4540 1 123 . 1 1 16 16 ARG NE N 15 84.91 0.10 . 1 . . . . . . . . 4540 1 124 . 1 1 17 17 GLU H H 1 9.62 0.02 . 1 . . . . . . . . 4540 1 125 . 1 1 17 17 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 4540 1 126 . 1 1 17 17 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4540 1 127 . 1 1 17 17 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4540 1 128 . 1 1 17 17 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4540 1 129 . 1 1 17 17 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4540 1 130 . 1 1 17 17 GLU N N 15 116.85 0.10 . 1 . . . . . . . . 4540 1 131 . 1 1 18 18 VAL H H 1 7.33 0.02 . 1 . . . . . . . . 4540 1 132 . 1 1 18 18 VAL HA H 1 3.90 0.02 . 1 . . . . . . . . 4540 1 133 . 1 1 18 18 VAL HB H 1 2.47 0.02 . 1 . . . . . . . . 4540 1 134 . 1 1 18 18 VAL HG11 H 1 1.30 0.02 . 1 . . . . . . . . 4540 1 135 . 1 1 18 18 VAL HG12 H 1 1.30 0.02 . 1 . . . . . . . . 4540 1 136 . 1 1 18 18 VAL HG13 H 1 1.30 0.02 . 1 . . . . . . . . 4540 1 137 . 1 1 18 18 VAL HG21 H 1 1.30 0.02 . 1 . . . . . . . . 4540 1 138 . 1 1 18 18 VAL HG22 H 1 1.30 0.02 . 1 . . . . . . . . 4540 1 139 . 1 1 18 18 VAL HG23 H 1 1.30 0.02 . 1 . . . . . . . . 4540 1 140 . 1 1 18 18 VAL N N 15 118.47 0.10 . 1 . . . . . . . . 4540 1 141 . 1 1 19 19 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 4540 1 142 . 1 1 19 19 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4540 1 143 . 1 1 19 19 LEU HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4540 1 144 . 1 1 19 19 LEU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4540 1 145 . 1 1 19 19 LEU HG H 1 1.88 0.02 . 1 . . . . . . . . 4540 1 146 . 1 1 19 19 LEU HD11 H 1 1.05 0.02 . 1 . . . . . . . . 4540 1 147 . 1 1 19 19 LEU HD12 H 1 1.05 0.02 . 1 . . . . . . . . 4540 1 148 . 1 1 19 19 LEU HD13 H 1 1.05 0.02 . 1 . . . . . . . . 4540 1 149 . 1 1 19 19 LEU HD21 H 1 1.05 0.02 . 1 . . . . . . . . 4540 1 150 . 1 1 19 19 LEU HD22 H 1 1.05 0.02 . 1 . . . . . . . . 4540 1 151 . 1 1 19 19 LEU HD23 H 1 1.05 0.02 . 1 . . . . . . . . 4540 1 152 . 1 1 19 19 LEU N N 15 121.70 0.10 . 1 . . . . . . . . 4540 1 153 . 1 1 20 20 ASP H H 1 8.92 0.02 . 1 . . . . . . . . 4540 1 154 . 1 1 20 20 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 4540 1 155 . 1 1 20 20 ASP HB2 H 1 2.70 0.02 . 2 . . . . . . . . 4540 1 156 . 1 1 20 20 ASP HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4540 1 157 . 1 1 20 20 ASP N N 15 118.22 0.10 . 1 . . . . . . . . 4540 1 158 . 1 1 21 21 LEU H H 1 7.26 0.02 . 1 . . . . . . . . 4540 1 159 . 1 1 21 21 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4540 1 160 . 1 1 21 21 LEU HB2 H 1 1.41 0.02 . 2 . . . . . . . . 4540 1 161 . 1 1 21 21 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4540 1 162 . 1 1 21 21 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 4540 1 163 . 1 1 21 21 LEU HD11 H 1 0.43 0.02 . 2 . . . . . . . . 4540 1 164 . 1 1 21 21 LEU HD12 H 1 0.43 0.02 . 2 . . . . . . . . 4540 1 165 . 1 1 21 21 LEU HD13 H 1 0.43 0.02 . 2 . . . . . . . . 4540 1 166 . 1 1 21 21 LEU HD21 H 1 0.72 0.02 . 2 . . . . . . . . 4540 1 167 . 1 1 21 21 LEU HD22 H 1 0.72 0.02 . 2 . . . . . . . . 4540 1 168 . 1 1 21 21 LEU HD23 H 1 0.72 0.02 . 2 . . . . . . . . 4540 1 169 . 1 1 21 21 LEU N N 15 121.75 0.10 . 1 . . . . . . . . 4540 1 170 . 1 1 22 22 VAL H H 1 8.70 0.02 . 1 . . . . . . . . 4540 1 171 . 1 1 22 22 VAL HA H 1 3.90 0.02 . 1 . . . . . . . . 4540 1 172 . 1 1 22 22 VAL HB H 1 2.55 0.02 . 1 . . . . . . . . 4540 1 173 . 1 1 22 22 VAL HG11 H 1 1.29 0.02 . 1 . . . . . . . . 4540 1 174 . 1 1 22 22 VAL HG12 H 1 1.29 0.02 . 1 . . . . . . . . 4540 1 175 . 1 1 22 22 VAL HG13 H 1 1.29 0.02 . 1 . . . . . . . . 4540 1 176 . 1 1 22 22 VAL HG21 H 1 1.47 0.02 . 1 . . . . . . . . 4540 1 177 . 1 1 22 22 VAL HG22 H 1 1.47 0.02 . 1 . . . . . . . . 4540 1 178 . 1 1 22 22 VAL HG23 H 1 1.47 0.02 . 1 . . . . . . . . 4540 1 179 . 1 1 22 22 VAL N N 15 118.11 0.10 . 1 . . . . . . . . 4540 1 180 . 1 1 23 23 ARG H H 1 8.42 0.02 . 1 . . . . . . . . 4540 1 181 . 1 1 23 23 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 4540 1 182 . 1 1 23 23 ARG HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4540 1 183 . 1 1 23 23 ARG HB3 H 1 2.07 0.02 . 1 . . . . . . . . 4540 1 184 . 1 1 23 23 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 4540 1 185 . 1 1 23 23 ARG HG3 H 1 1.96 0.02 . 2 . . . . . . . . 4540 1 186 . 1 1 23 23 ARG HD2 H 1 3.38 0.02 . 1 . . . . . . . . 4540 1 187 . 1 1 23 23 ARG HD3 H 1 3.38 0.02 . 1 . . . . . . . . 4540 1 188 . 1 1 23 23 ARG HE H 1 7.48 0.02 . 1 . . . . . . . . 4540 1 189 . 1 1 23 23 ARG N N 15 118.30 0.10 . 1 . . . . . . . . 4540 1 190 . 1 1 23 23 ARG NE N 15 84.04 0.10 . 1 . . . . . . . . 4540 1 191 . 1 1 24 24 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 4540 1 192 . 1 1 24 24 LYS HA H 1 4.23 0.02 . 1 . . . . . . . . 4540 1 193 . 1 1 24 24 LYS HB2 H 1 2.10 0.02 . 1 . . . . . . . . 4540 1 194 . 1 1 24 24 LYS HB3 H 1 2.10 0.02 . 1 . . . . . . . . 4540 1 195 . 1 1 24 24 LYS HG2 H 1 1.51 0.02 . 2 . . . . . . . . 4540 1 196 . 1 1 24 24 LYS HG3 H 1 1.66 0.02 . 2 . . . . . . . . 4540 1 197 . 1 1 24 24 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4540 1 198 . 1 1 24 24 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4540 1 199 . 1 1 24 24 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 4540 1 200 . 1 1 24 24 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 4540 1 201 . 1 1 24 24 LYS N N 15 120.04 0.10 . 1 . . . . . . . . 4540 1 202 . 1 1 25 25 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 4540 1 203 . 1 1 25 25 VAL HA H 1 3.99 0.02 . 1 . . . . . . . . 4540 1 204 . 1 1 25 25 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 4540 1 205 . 1 1 25 25 VAL HG11 H 1 1.17 0.02 . 1 . . . . . . . . 4540 1 206 . 1 1 25 25 VAL HG12 H 1 1.17 0.02 . 1 . . . . . . . . 4540 1 207 . 1 1 25 25 VAL HG13 H 1 1.17 0.02 . 1 . . . . . . . . 4540 1 208 . 1 1 25 25 VAL HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4540 1 209 . 1 1 25 25 VAL HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4540 1 210 . 1 1 25 25 VAL HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4540 1 211 . 1 1 25 25 VAL N N 15 118.19 0.10 . 1 . . . . . . . . 4540 1 212 . 1 1 26 26 ALA H H 1 8.66 0.02 . 1 . . . . . . . . 4540 1 213 . 1 1 26 26 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 4540 1 214 . 1 1 26 26 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . 4540 1 215 . 1 1 26 26 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . 4540 1 216 . 1 1 26 26 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4540 1 217 . 1 1 26 26 ALA N N 15 124.27 0.10 . 1 . . . . . . . . 4540 1 218 . 1 1 27 27 GLU H H 1 7.89 0.02 . 1 . . . . . . . . 4540 1 219 . 1 1 27 27 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 4540 1 220 . 1 1 27 27 GLU HB2 H 1 2.32 0.02 . 2 . . . . . . . . 4540 1 221 . 1 1 27 27 GLU HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4540 1 222 . 1 1 27 27 GLU HG2 H 1 2.62 0.02 . 1 . . . . . . . . 4540 1 223 . 1 1 27 27 GLU HG3 H 1 2.62 0.02 . 1 . . . . . . . . 4540 1 224 . 1 1 27 27 GLU N N 15 116.74 0.10 . 1 . . . . . . . . 4540 1 225 . 1 1 28 28 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 4540 1 226 . 1 1 28 28 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 4540 1 227 . 1 1 28 28 GLU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 4540 1 228 . 1 1 28 28 GLU HB3 H 1 2.40 0.02 . 2 . . . . . . . . 4540 1 229 . 1 1 28 28 GLU HG2 H 1 2.69 0.02 . 1 . . . . . . . . 4540 1 230 . 1 1 28 28 GLU HG3 H 1 2.69 0.02 . 1 . . . . . . . . 4540 1 231 . 1 1 28 28 GLU N N 15 121.47 0.10 . 1 . . . . . . . . 4540 1 232 . 1 1 29 29 ASN H H 1 8.14 0.02 . 1 . . . . . . . . 4540 1 233 . 1 1 29 29 ASN HA H 1 4.15 0.02 . 1 . . . . . . . . 4540 1 234 . 1 1 29 29 ASN HB2 H 1 2.97 0.02 . 1 . . . . . . . . 4540 1 235 . 1 1 29 29 ASN HB3 H 1 2.97 0.02 . 1 . . . . . . . . 4540 1 236 . 1 1 29 29 ASN HD21 H 1 7.12 0.02 . 1 . . . . . . . . 4540 1 237 . 1 1 29 29 ASN HD22 H 1 8.38 0.02 . 1 . . . . . . . . 4540 1 238 . 1 1 29 29 ASN N N 15 115.46 0.10 . 1 . . . . . . . . 4540 1 239 . 1 1 29 29 ASN ND2 N 15 115.83 0.10 . 1 . . . . . . . . 4540 1 240 . 1 1 30 30 GLY H H 1 8.16 0.02 . 1 . . . . . . . . 4540 1 241 . 1 1 30 30 GLY HA2 H 1 4.09 0.02 . 1 . . . . . . . . 4540 1 242 . 1 1 30 30 GLY HA3 H 1 4.09 0.02 . 1 . . . . . . . . 4540 1 243 . 1 1 30 30 GLY N N 15 110.88 0.10 . 1 . . . . . . . . 4540 1 244 . 1 1 31 31 ARG H H 1 8.59 0.02 . 1 . . . . . . . . 4540 1 245 . 1 1 31 31 ARG HA H 1 5.01 0.02 . 1 . . . . . . . . 4540 1 246 . 1 1 31 31 ARG HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4540 1 247 . 1 1 31 31 ARG HB3 H 1 2.09 0.02 . 2 . . . . . . . . 4540 1 248 . 1 1 31 31 ARG HG2 H 1 1.74 0.02 . 1 . . . . . . . . 4540 1 249 . 1 1 31 31 ARG HG3 H 1 1.74 0.02 . 1 . . . . . . . . 4540 1 250 . 1 1 31 31 ARG HD2 H 1 3.10 0.02 . 2 . . . . . . . . 4540 1 251 . 1 1 31 31 ARG HD3 H 1 3.43 0.02 . 2 . . . . . . . . 4540 1 252 . 1 1 31 31 ARG HE H 1 7.75 0.02 . 1 . . . . . . . . 4540 1 253 . 1 1 31 31 ARG N N 15 117.88 0.10 . 1 . . . . . . . . 4540 1 254 . 1 1 31 31 ARG NE N 15 84.50 0.10 . 1 . . . . . . . . 4540 1 255 . 1 1 32 32 SER H H 1 8.50 0.02 . 1 . . . . . . . . 4540 1 256 . 1 1 32 32 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4540 1 257 . 1 1 32 32 SER HB2 H 1 4.21 0.02 . 2 . . . . . . . . 4540 1 258 . 1 1 32 32 SER HB3 H 1 4.58 0.02 . 2 . . . . . . . . 4540 1 259 . 1 1 32 32 SER N N 15 114.49 0.10 . 1 . . . . . . . . 4540 1 260 . 1 1 33 33 VAL H H 1 9.01 0.02 . 1 . . . . . . . . 4540 1 261 . 1 1 33 33 VAL HA H 1 3.69 0.02 . 1 . . . . . . . . 4540 1 262 . 1 1 33 33 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 4540 1 263 . 1 1 33 33 VAL HG11 H 1 1.08 0.02 . 1 . . . . . . . . 4540 1 264 . 1 1 33 33 VAL HG12 H 1 1.08 0.02 . 1 . . . . . . . . 4540 1 265 . 1 1 33 33 VAL HG13 H 1 1.08 0.02 . 1 . . . . . . . . 4540 1 266 . 1 1 33 33 VAL HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4540 1 267 . 1 1 33 33 VAL HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4540 1 268 . 1 1 33 33 VAL HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4540 1 269 . 1 1 33 33 VAL N N 15 121.42 0.10 . 1 . . . . . . . . 4540 1 270 . 1 1 34 34 ASN H H 1 8.55 0.02 . 1 . . . . . . . . 4540 1 271 . 1 1 34 34 ASN HA H 1 4.35 0.02 . 1 . . . . . . . . 4540 1 272 . 1 1 34 34 ASN HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4540 1 273 . 1 1 34 34 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4540 1 274 . 1 1 34 34 ASN HD21 H 1 6.77 0.02 . 1 . . . . . . . . 4540 1 275 . 1 1 34 34 ASN HD22 H 1 6.77 0.02 . 1 . . . . . . . . 4540 1 276 . 1 1 34 34 ASN N N 15 116.91 0.10 . 1 . . . . . . . . 4540 1 277 . 1 1 34 34 ASN ND2 N 15 112.72 0.10 . 1 . . . . . . . . 4540 1 278 . 1 1 35 35 SER H H 1 8.20 0.02 . 1 . . . . . . . . 4540 1 279 . 1 1 35 35 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4540 1 280 . 1 1 35 35 SER HB2 H 1 4.08 0.02 . 2 . . . . . . . . 4540 1 281 . 1 1 35 35 SER HB3 H 1 4.15 0.02 . 2 . . . . . . . . 4540 1 282 . 1 1 35 35 SER N N 15 114.41 0.10 . 1 . . . . . . . . 4540 1 283 . 1 1 36 36 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 4540 1 284 . 1 1 36 36 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 4540 1 285 . 1 1 36 36 GLU HB2 H 1 2.24 0.02 . 1 . . . . . . . . 4540 1 286 . 1 1 36 36 GLU HB3 H 1 2.24 0.02 . 1 . . . . . . . . 4540 1 287 . 1 1 36 36 GLU HG2 H 1 2.45 0.02 . 2 . . . . . . . . 4540 1 288 . 1 1 36 36 GLU HG3 H 1 2.60 0.02 . 2 . . . . . . . . 4540 1 289 . 1 1 36 36 GLU N N 15 124.20 0.10 . 1 . . . . . . . . 4540 1 290 . 1 1 37 37 ILE H H 1 8.37 0.02 . 1 . . . . . . . . 4540 1 291 . 1 1 37 37 ILE HA H 1 3.76 0.02 . 1 . . . . . . . . 4540 1 292 . 1 1 37 37 ILE HB H 1 2.52 0.02 . 1 . . . . . . . . 4540 1 293 . 1 1 37 37 ILE HG12 H 1 1.46 0.02 . 1 . . . . . . . . 4540 1 294 . 1 1 37 37 ILE HG13 H 1 2.22 0.02 . 1 . . . . . . . . 4540 1 295 . 1 1 37 37 ILE HG21 H 1 1.41 0.02 . 1 . . . . . . . . 4540 1 296 . 1 1 37 37 ILE HG22 H 1 1.41 0.02 . 1 . . . . . . . . 4540 1 297 . 1 1 37 37 ILE HG23 H 1 1.41 0.02 . 1 . . . . . . . . 4540 1 298 . 1 1 37 37 ILE HD11 H 1 1.09 0.02 . 1 . . . . . . . . 4540 1 299 . 1 1 37 37 ILE HD12 H 1 1.09 0.02 . 1 . . . . . . . . 4540 1 300 . 1 1 37 37 ILE HD13 H 1 1.09 0.02 . 1 . . . . . . . . 4540 1 301 . 1 1 37 37 ILE N N 15 117.93 0.10 . 1 . . . . . . . . 4540 1 302 . 1 1 38 38 TYR H H 1 8.72 0.02 . 1 . . . . . . . . 4540 1 303 . 1 1 38 38 TYR HA H 1 3.45 0.02 . 1 . . . . . . . . 4540 1 304 . 1 1 38 38 TYR HB2 H 1 2.47 0.02 . 2 . . . . . . . . 4540 1 305 . 1 1 38 38 TYR HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4540 1 306 . 1 1 38 38 TYR HD1 H 1 5.84 0.02 . 1 . . . . . . . . 4540 1 307 . 1 1 38 38 TYR HD2 H 1 5.84 0.02 . 1 . . . . . . . . 4540 1 308 . 1 1 38 38 TYR HE1 H 1 6.45 0.02 . 1 . . . . . . . . 4540 1 309 . 1 1 38 38 TYR HE2 H 1 6.45 0.02 . 1 . . . . . . . . 4540 1 310 . 1 1 38 38 TYR N N 15 119.93 0.10 . 1 . . . . . . . . 4540 1 311 . 1 1 39 39 GLN H H 1 8.60 0.02 . 1 . . . . . . . . 4540 1 312 . 1 1 39 39 GLN HA H 1 3.60 0.02 . 1 . . . . . . . . 4540 1 313 . 1 1 39 39 GLN HB2 H 1 2.19 0.02 . 1 . . . . . . . . 4540 1 314 . 1 1 39 39 GLN HB3 H 1 2.19 0.02 . 1 . . . . . . . . 4540 1 315 . 1 1 39 39 GLN HG2 H 1 2.45 0.02 . 2 . . . . . . . . 4540 1 316 . 1 1 39 39 GLN HG3 H 1 2.63 0.02 . 2 . . . . . . . . 4540 1 317 . 1 1 39 39 GLN HE21 H 1 6.83 0.02 . 2 . . . . . . . . 4540 1 318 . 1 1 39 39 GLN HE22 H 1 7.69 0.02 . 2 . . . . . . . . 4540 1 319 . 1 1 39 39 GLN N N 15 117.33 0.10 . 1 . . . . . . . . 4540 1 320 . 1 1 39 39 GLN NE2 N 15 111.32 0.10 . 1 . . . . . . . . 4540 1 321 . 1 1 40 40 ARG H H 1 7.75 0.02 . 1 . . . . . . . . 4540 1 322 . 1 1 40 40 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 4540 1 323 . 1 1 40 40 ARG HB2 H 1 1.82 0.02 . 1 . . . . . . . . 4540 1 324 . 1 1 40 40 ARG HB3 H 1 1.82 0.02 . 1 . . . . . . . . 4540 1 325 . 1 1 40 40 ARG HG2 H 1 1.72 0.02 . 1 . . . . . . . . 4540 1 326 . 1 1 40 40 ARG HG3 H 1 1.72 0.02 . 1 . . . . . . . . 4540 1 327 . 1 1 40 40 ARG HD2 H 1 2.72 0.02 . 2 . . . . . . . . 4540 1 328 . 1 1 40 40 ARG HD3 H 1 2.98 0.02 . 2 . . . . . . . . 4540 1 329 . 1 1 40 40 ARG HE H 1 9.46 0.02 . 1 . . . . . . . . 4540 1 330 . 1 1 40 40 ARG N N 15 118.12 0.10 . 1 . . . . . . . . 4540 1 331 . 1 1 40 40 ARG NE N 15 87.38 0.10 . 1 . . . . . . . . 4540 1 332 . 1 1 41 41 VAL H H 1 8.59 0.02 . 1 . . . . . . . . 4540 1 333 . 1 1 41 41 VAL HA H 1 3.40 0.02 . 1 . . . . . . . . 4540 1 334 . 1 1 41 41 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 4540 1 335 . 1 1 41 41 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 4540 1 336 . 1 1 41 41 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 4540 1 337 . 1 1 41 41 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 4540 1 338 . 1 1 41 41 VAL HG21 H 1 1.35 0.02 . 1 . . . . . . . . 4540 1 339 . 1 1 41 41 VAL HG22 H 1 1.35 0.02 . 1 . . . . . . . . 4540 1 340 . 1 1 41 41 VAL HG23 H 1 1.35 0.02 . 1 . . . . . . . . 4540 1 341 . 1 1 41 41 VAL N N 15 121.44 0.10 . 1 . . . . . . . . 4540 1 342 . 1 1 42 42 MET H H 1 8.95 0.02 . 1 . . . . . . . . 4540 1 343 . 1 1 42 42 MET HA H 1 4.22 0.02 . 1 . . . . . . . . 4540 1 344 . 1 1 42 42 MET HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4540 1 345 . 1 1 42 42 MET HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4540 1 346 . 1 1 42 42 MET HG2 H 1 1.99 0.02 . 1 . . . . . . . . 4540 1 347 . 1 1 42 42 MET HG3 H 1 1.99 0.02 . 1 . . . . . . . . 4540 1 348 . 1 1 42 42 MET N N 15 121.99 0.10 . 1 . . . . . . . . 4540 1 349 . 1 1 43 43 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 4540 1 350 . 1 1 43 43 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4540 1 351 . 1 1 43 43 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4540 1 352 . 1 1 43 43 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4540 1 353 . 1 1 43 43 GLU HG2 H 1 2.42 0.02 . 2 . . . . . . . . 4540 1 354 . 1 1 43 43 GLU HG3 H 1 2.50 0.02 . 2 . . . . . . . . 4540 1 355 . 1 1 43 43 GLU N N 15 119.37 0.10 . 1 . . . . . . . . 4540 1 356 . 1 1 44 44 SER H H 1 7.75 0.02 . 1 . . . . . . . . 4540 1 357 . 1 1 44 44 SER HA H 1 4.29 0.02 . 1 . . . . . . . . 4540 1 358 . 1 1 44 44 SER HB2 H 1 3.99 0.02 . 2 . . . . . . . . 4540 1 359 . 1 1 44 44 SER HB3 H 1 4.15 0.02 . 2 . . . . . . . . 4540 1 360 . 1 1 44 44 SER N N 15 116.46 0.10 . 1 . . . . . . . . 4540 1 361 . 1 1 45 45 PHE H H 1 7.61 0.02 . 1 . . . . . . . . 4540 1 362 . 1 1 45 45 PHE HA H 1 4.79 0.02 . 1 . . . . . . . . 4540 1 363 . 1 1 45 45 PHE HB2 H 1 3.23 0.02 . 1 . . . . . . . . 4540 1 364 . 1 1 45 45 PHE HB3 H 1 3.23 0.02 . 1 . . . . . . . . 4540 1 365 . 1 1 45 45 PHE HD1 H 1 7.37 0.02 . 1 . . . . . . . . 4540 1 366 . 1 1 45 45 PHE HD2 H 1 7.37 0.02 . 1 . . . . . . . . 4540 1 367 . 1 1 45 45 PHE HE1 H 1 7.23 0.02 . 1 . . . . . . . . 4540 1 368 . 1 1 45 45 PHE HE2 H 1 7.23 0.02 . 1 . . . . . . . . 4540 1 369 . 1 1 45 45 PHE HZ H 1 6.97 0.02 . 1 . . . . . . . . 4540 1 370 . 1 1 45 45 PHE N N 15 121.46 0.10 . 1 . . . . . . . . 4540 1 371 . 1 1 46 46 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 4540 1 372 . 1 1 46 46 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4540 1 373 . 1 1 46 46 LYS HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4540 1 374 . 1 1 46 46 LYS HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4540 1 375 . 1 1 46 46 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 4540 1 376 . 1 1 46 46 LYS HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4540 1 377 . 1 1 46 46 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4540 1 378 . 1 1 46 46 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4540 1 379 . 1 1 46 46 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 4540 1 380 . 1 1 46 46 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 4540 1 381 . 1 1 46 46 LYS N N 15 122.87 0.10 . 1 . . . . . . . . 4540 1 382 . 1 1 47 47 LYS H H 1 8.50 0.02 . 1 . . . . . . . . 4540 1 383 . 1 1 47 47 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4540 1 384 . 1 1 47 47 LYS HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4540 1 385 . 1 1 47 47 LYS HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4540 1 386 . 1 1 47 47 LYS HG2 H 1 1.62 0.02 . 1 . . . . . . . . 4540 1 387 . 1 1 47 47 LYS HG3 H 1 1.62 0.02 . 1 . . . . . . . . 4540 1 388 . 1 1 47 47 LYS HD2 H 1 1.80 0.02 . 1 . . . . . . . . 4540 1 389 . 1 1 47 47 LYS HD3 H 1 1.80 0.02 . 1 . . . . . . . . 4540 1 390 . 1 1 47 47 LYS HE2 H 1 3.10 0.02 . 1 . . . . . . . . 4540 1 391 . 1 1 47 47 LYS HE3 H 1 3.10 0.02 . 1 . . . . . . . . 4540 1 392 . 1 1 47 47 LYS N N 15 120.98 0.10 . 1 . . . . . . . . 4540 1 393 . 1 1 48 48 GLU H H 1 7.69 0.02 . 1 . . . . . . . . 4540 1 394 . 1 1 48 48 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 4540 1 395 . 1 1 48 48 GLU HB2 H 1 2.32 0.02 . 1 . . . . . . . . 4540 1 396 . 1 1 48 48 GLU HB3 H 1 2.32 0.02 . 1 . . . . . . . . 4540 1 397 . 1 1 48 48 GLU HG2 H 1 2.54 0.02 . 2 . . . . . . . . 4540 1 398 . 1 1 48 48 GLU HG3 H 1 2.64 0.02 . 2 . . . . . . . . 4540 1 399 . 1 1 48 48 GLU N N 15 116.96 0.10 . 1 . . . . . . . . 4540 1 400 . 1 1 49 49 GLY H H 1 8.14 0.02 . 1 . . . . . . . . 4540 1 401 . 1 1 49 49 GLY HA2 H 1 4.06 0.02 . 2 . . . . . . . . 4540 1 402 . 1 1 49 49 GLY HA3 H 1 4.18 0.02 . 2 . . . . . . . . 4540 1 403 . 1 1 49 49 GLY N N 15 108.01 0.10 . 1 . . . . . . . . 4540 1 404 . 1 1 50 50 ARG H H 1 8.15 0.02 . 1 . . . . . . . . 4540 1 405 . 1 1 50 50 ARG HA H 1 4.42 0.02 . 1 . . . . . . . . 4540 1 406 . 1 1 50 50 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4540 1 407 . 1 1 50 50 ARG HB3 H 1 2.02 0.02 . 2 . . . . . . . . 4540 1 408 . 1 1 50 50 ARG HG2 H 1 1.76 0.02 . 1 . . . . . . . . 4540 1 409 . 1 1 50 50 ARG HG3 H 1 1.76 0.02 . 1 . . . . . . . . 4540 1 410 . 1 1 50 50 ARG HD2 H 1 3.19 0.02 . 2 . . . . . . . . 4540 1 411 . 1 1 50 50 ARG HD3 H 1 3.27 0.02 . 2 . . . . . . . . 4540 1 412 . 1 1 50 50 ARG HE H 1 7.67 0.02 . 1 . . . . . . . . 4540 1 413 . 1 1 50 50 ARG N N 15 117.36 0.10 . 1 . . . . . . . . 4540 1 414 . 1 1 50 50 ARG NE N 15 83.57 0.10 . 1 . . . . . . . . 4540 1 415 . 1 1 51 51 ILE H H 1 7.63 0.02 . 1 . . . . . . . . 4540 1 416 . 1 1 51 51 ILE HA H 1 4.33 0.02 . 1 . . . . . . . . 4540 1 417 . 1 1 51 51 ILE HB H 1 1.80 0.02 . 1 . . . . . . . . 4540 1 418 . 1 1 51 51 ILE HG12 H 1 1.14 0.02 . 2 . . . . . . . . 4540 1 419 . 1 1 51 51 ILE HG13 H 1 1.48 0.02 . 2 . . . . . . . . 4540 1 420 . 1 1 51 51 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 4540 1 421 . 1 1 51 51 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 4540 1 422 . 1 1 51 51 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 4540 1 423 . 1 1 51 51 ILE HD11 H 1 0.92 0.02 . 1 . . . . . . . . 4540 1 424 . 1 1 51 51 ILE HD12 H 1 0.92 0.02 . 1 . . . . . . . . 4540 1 425 . 1 1 51 51 ILE HD13 H 1 0.92 0.02 . 1 . . . . . . . . 4540 1 426 . 1 1 51 51 ILE N N 15 117.09 0.10 . 1 . . . . . . . . 4540 1 427 . 1 1 52 52 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 4540 1 428 . 1 1 52 52 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 4540 1 429 . 1 1 52 52 GLY HA3 H 1 4.07 0.02 . 2 . . . . . . . . 4540 1 430 . 1 1 52 52 GLY N N 15 113.16 0.10 . 1 . . . . . . . . 4540 1 431 . 1 1 53 53 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 4540 1 432 . 1 1 53 53 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 4540 1 433 . 1 1 53 53 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 4540 1 434 . 1 1 53 53 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 4540 1 435 . 1 1 53 53 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 4540 1 436 . 1 1 53 53 ALA N N 15 123.35 0.10 . 1 . . . . . . . . 4540 1 437 . 1 1 60 60 LYS H H 1 8.66 0.02 . 1 . . . . . . . . 4540 1 438 . 1 1 60 60 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4540 1 439 . 1 1 60 60 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4540 1 440 . 1 1 60 60 LYS HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4540 1 441 . 1 1 60 60 LYS HG2 H 1 1.51 0.02 . 1 . . . . . . . . 4540 1 442 . 1 1 60 60 LYS HG3 H 1 1.51 0.02 . 1 . . . . . . . . 4540 1 443 . 1 1 60 60 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 4540 1 444 . 1 1 60 60 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 4540 1 445 . 1 1 60 60 LYS HE2 H 1 3.10 0.02 . 1 . . . . . . . . 4540 1 446 . 1 1 60 60 LYS HE3 H 1 3.10 0.02 . 1 . . . . . . . . 4540 1 447 . 1 1 60 60 LYS N N 15 123.36 0.10 . 1 . . . . . . . . 4540 1 448 . 1 1 61 61 ASN H H 1 8.74 0.02 . 1 . . . . . . . . 4540 1 449 . 1 1 61 61 ASN HA H 1 4.78 0.02 . 1 . . . . . . . . 4540 1 450 . 1 1 61 61 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . 4540 1 451 . 1 1 61 61 ASN HB3 H 1 2.99 0.02 . 2 . . . . . . . . 4540 1 452 . 1 1 61 61 ASN N N 15 120.11 0.10 . 1 . . . . . . . . 4540 1 453 . 1 1 62 62 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 4540 1 454 . 1 1 62 62 GLN HA H 1 4.39 0.02 . 1 . . . . . . . . 4540 1 455 . 1 1 62 62 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4540 1 456 . 1 1 62 62 GLN HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4540 1 457 . 1 1 62 62 GLN HG2 H 1 2.40 0.02 . 1 . . . . . . . . 4540 1 458 . 1 1 62 62 GLN HG3 H 1 2.40 0.02 . 1 . . . . . . . . 4540 1 459 . 1 1 62 62 GLN N N 15 120.18 0.10 . 1 . . . . . . . . 4540 1 460 . 1 1 63 63 HIS H H 1 8.57 0.02 . 1 . . . . . . . . 4540 1 461 . 1 1 63 63 HIS HA H 1 4.79 0.02 . 1 . . . . . . . . 4540 1 462 . 1 1 63 63 HIS N N 15 119.25 0.10 . 1 . . . . . . . . 4540 1 463 . 1 1 64 64 GLU H H 1 8.31 0.02 . 1 . . . . . . . . 4540 1 464 . 1 1 64 64 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4540 1 465 . 1 1 64 64 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4540 1 466 . 1 1 64 64 GLU HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4540 1 467 . 1 1 64 64 GLU HG2 H 1 2.35 0.02 . 1 . . . . . . . . 4540 1 468 . 1 1 64 64 GLU HG3 H 1 2.35 0.02 . 1 . . . . . . . . 4540 1 469 . 1 1 64 64 GLU N N 15 127.55 0.10 . 1 . . . . . . . . 4540 1 stop_ save_