data_6130 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6130 _Entry.Title ; Solution structure and backbone dynamics of the Cu(I) and apo-forms of the second metal-binding domain of the Menkes protein ATP7A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-03 _Entry.Accession_date 2004-03-03 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _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 L. Banci . . . 6130 2 I. Bertini . . . 6130 3 R. 'Del Conte' . . . 6130 4 M. D'Onofrio . . . 6130 5 A. Rosato . . . 6130 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6130 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 6130 '15N chemical shifts' 77 6130 '1H chemical shifts' 524 6130 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 . . 2004-05-15 2004-03-03 original author . 6130 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6129 'same protein in complex form with COPPER (I) ION' 6130 PDB 1S6O 'BMRB Entry Tracking System' 6130 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6130 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15035611 _Citation.Full_citation . _Citation.Title 'Solution structure and backbone dynamics of the Cu(I) and apo forms of the second metal-binding domain of the Menkes protein ATP7A' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 12 _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 3396 _Citation.Page_last 3403 _Citation.Year 2004 _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 L. Banci . . . 6130 1 2 I. Bertini . . . 6130 1 3 R. 'Del Conte' . . . 6130 1 4 M. D'Onofrio . . . 6130 1 5 A. Rosato . . . 6130 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'copper homeostasis' 6130 1 Menkes 6130 1 'metal transport' 6130 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ATPase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ATPase _Assembly.Entry_ID 6130 _Assembly.ID 1 _Assembly.Name 'Copper-transporting ATPase 1 (E.C.3.6.3.4)' _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 reported' _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 6130 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 'Copper-transporting ATPase 1' 1 $ATPase . . . native . . . . . 6130 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 1S6O . . . . . . 6130 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ATPase abbreviation 6130 1 'Copper-transporting ATPase 1 (E.C.3.6.3.4)' system 6130 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATPase _Entity.Sf_category entity _Entity.Sf_framecode ATPase _Entity.Entry_ID 6130 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ATPase _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 ; GEVVLKMKVEGMTCHSCTST IEGKIGKLQGVQRIKVSLDN QEATIVYQPHLISVEEMKKQ IEAMGFPAFVKKIEGR ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 2015-01-28 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 BMRB 6022 . MNKr2 . . . . . 94.74 84 100.00 100.00 2.72e-43 . . . . 6130 1 2 no BMRB 6129 . ATPase . . . . . 100.00 76 100.00 100.00 2.91e-46 . . . . 6130 1 3 no PDB 1Q8L . "Second Metal Binding Domain Of The Menkes Atpase" . . . . . 94.74 84 100.00 100.00 2.72e-43 . . . . 6130 1 4 no PDB 1S6O . "Solution Structure And Backbone Dynamics Of The Apo-Form Of The Second Metal-Binding Domain Of The Menkes Protein Atp7a" . . . . . 100.00 76 100.00 100.00 2.91e-46 . . . . 6130 1 5 no PDB 1S6U . "Solution Structure And Backbone Dynamics Of The Cu(I) Form Of The Second Metal-Binding Domain Of The Menkes Protein Atp7a" . . . . . 100.00 76 100.00 100.00 2.91e-46 . . . . 6130 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ATPase abbreviation 6130 1 ATPase common 6130 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 1 GLY . 6130 1 2 2 GLU . 6130 1 3 3 VAL . 6130 1 4 4 VAL . 6130 1 5 5 LEU . 6130 1 6 6 LYS . 6130 1 7 7 MET . 6130 1 8 8 LYS . 6130 1 9 9 VAL . 6130 1 10 10 GLU . 6130 1 11 11 GLY . 6130 1 12 12 MET . 6130 1 13 13 THR . 6130 1 14 14 CYS . 6130 1 15 15 HIS . 6130 1 16 16 SER . 6130 1 17 17 CYS . 6130 1 18 18 THR . 6130 1 19 19 SER . 6130 1 20 20 THR . 6130 1 21 21 ILE . 6130 1 22 22 GLU . 6130 1 23 23 GLY . 6130 1 24 24 LYS . 6130 1 25 25 ILE . 6130 1 26 26 GLY . 6130 1 27 27 LYS . 6130 1 28 28 LEU . 6130 1 29 29 GLN . 6130 1 30 30 GLY . 6130 1 31 31 VAL . 6130 1 32 32 GLN . 6130 1 33 33 ARG . 6130 1 34 34 ILE . 6130 1 35 35 LYS . 6130 1 36 36 VAL . 6130 1 37 37 SER . 6130 1 38 38 LEU . 6130 1 39 39 ASP . 6130 1 40 40 ASN . 6130 1 41 41 GLN . 6130 1 42 42 GLU . 6130 1 43 43 ALA . 6130 1 44 44 THR . 6130 1 45 45 ILE . 6130 1 46 46 VAL . 6130 1 47 47 TYR . 6130 1 48 48 GLN . 6130 1 49 49 PRO . 6130 1 50 50 HIS . 6130 1 51 51 LEU . 6130 1 52 52 ILE . 6130 1 53 53 SER . 6130 1 54 54 VAL . 6130 1 55 55 GLU . 6130 1 56 56 GLU . 6130 1 57 57 MET . 6130 1 58 58 LYS . 6130 1 59 59 LYS . 6130 1 60 60 GLN . 6130 1 61 61 ILE . 6130 1 62 62 GLU . 6130 1 63 63 ALA . 6130 1 64 64 MET . 6130 1 65 65 GLY . 6130 1 66 66 PHE . 6130 1 67 67 PRO . 6130 1 68 68 ALA . 6130 1 69 69 PHE . 6130 1 70 70 VAL . 6130 1 71 71 LYS . 6130 1 72 72 LYS . 6130 1 73 73 ILE . 6130 1 74 74 GLU . 6130 1 75 75 GLY . 6130 1 76 76 ARG . 6130 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 6130 1 . GLU 2 2 6130 1 . VAL 3 3 6130 1 . VAL 4 4 6130 1 . LEU 5 5 6130 1 . LYS 6 6 6130 1 . MET 7 7 6130 1 . LYS 8 8 6130 1 . VAL 9 9 6130 1 . GLU 10 10 6130 1 . GLY 11 11 6130 1 . MET 12 12 6130 1 . THR 13 13 6130 1 . CYS 14 14 6130 1 . HIS 15 15 6130 1 . SER 16 16 6130 1 . CYS 17 17 6130 1 . THR 18 18 6130 1 . SER 19 19 6130 1 . THR 20 20 6130 1 . ILE 21 21 6130 1 . GLU 22 22 6130 1 . GLY 23 23 6130 1 . LYS 24 24 6130 1 . ILE 25 25 6130 1 . GLY 26 26 6130 1 . LYS 27 27 6130 1 . LEU 28 28 6130 1 . GLN 29 29 6130 1 . GLY 30 30 6130 1 . VAL 31 31 6130 1 . GLN 32 32 6130 1 . ARG 33 33 6130 1 . ILE 34 34 6130 1 . LYS 35 35 6130 1 . VAL 36 36 6130 1 . SER 37 37 6130 1 . LEU 38 38 6130 1 . ASP 39 39 6130 1 . ASN 40 40 6130 1 . GLN 41 41 6130 1 . GLU 42 42 6130 1 . ALA 43 43 6130 1 . THR 44 44 6130 1 . ILE 45 45 6130 1 . VAL 46 46 6130 1 . TYR 47 47 6130 1 . GLN 48 48 6130 1 . PRO 49 49 6130 1 . HIS 50 50 6130 1 . LEU 51 51 6130 1 . ILE 52 52 6130 1 . SER 53 53 6130 1 . VAL 54 54 6130 1 . GLU 55 55 6130 1 . GLU 56 56 6130 1 . MET 57 57 6130 1 . LYS 58 58 6130 1 . LYS 59 59 6130 1 . GLN 60 60 6130 1 . ILE 61 61 6130 1 . GLU 62 62 6130 1 . ALA 63 63 6130 1 . MET 64 64 6130 1 . GLY 65 65 6130 1 . PHE 66 66 6130 1 . PRO 67 67 6130 1 . ALA 68 68 6130 1 . PHE 69 69 6130 1 . VAL 70 70 6130 1 . LYS 71 71 6130 1 . LYS 72 72 6130 1 . ILE 73 73 6130 1 . GLU 74 74 6130 1 . GLY 75 75 6130 1 . ARG 76 76 6130 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 6130 _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 $ATPase . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6130 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 6130 _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 $ATPase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6130 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6130 _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 ATPase . . . 1 $ATPase . . 1 . . mM . . . . 6130 1 2 phosphate . . . . . . . 100 . . mM . . . . 6130 1 3 H2O . . . . . . . 90 . . % . . . . 6130 1 4 D2O . . . . . . . 10 . . % . . . . 6130 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6130 _Sample.ID 2 _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 ATPase [U-15N] . . 1 $ATPase . . 1 . . mM . . . . 6130 2 2 phosphate . . . . . . . 100 . . mM . . . . 6130 2 3 H2O . . . . . . . 90 . . % . . . . 6130 2 4 D2O . . . . . . . 10 . . % . . . . 6130 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6130 _Sample.ID 3 _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 ATPase '[U-13C; U-15N]' . . 1 $ATPase . . 1 . . mM . . . . 6130 3 2 phosphate . . . . . . . 100 . . mM . . . . 6130 3 3 H2O . . . . . . . 90 . . % . . . . 6130 3 4 D2O . . . . . . . 10 . . % . . . . 6130 3 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 6130 _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' 100 . mM 6130 1 pH 7.0 . pH 6130 1 pressure 1 . atm 6130 1 temperature 298 . K 6130 1 stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6130 _Software.ID 1 _Software.Name DYANA _Software.Version 1.5 _Software.Details Guentert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6130 1 'structure solution' 6130 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6130 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6130 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer unknown unknown . 0 'spectrometer information not available' . . 6130 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 6130 _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 [1H-1H]-NOESY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6130 1 2 13C-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6130 1 3 15N-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6130 1 4 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6130 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 6130 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6130 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6130 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6130 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 6130 _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_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 . 6130 1 . . 2 $sample_2 . 6130 1 . . 3 $sample_3 . 6130 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 1 1 GLY CA C 13 42.66 . . . . . . . . . . . 6130 1 2 . 1 1 1 1 GLY HA2 H 1 3.950 . . . . . . . . . . . 6130 1 3 . 1 1 1 1 GLY HA3 H 1 4.000 . . . . . . . . . . . 6130 1 4 . 1 1 2 2 GLU H H 1 8.197 . . . . . . . . . . . 6130 1 5 . 1 1 2 2 GLU N N 15 118.43 . . . . . . . . . . . 6130 1 6 . 1 1 2 2 GLU CA C 13 53.81 . . . . . . . . . . . 6130 1 7 . 1 1 2 2 GLU CB C 13 28.44 . . . . . . . . . . . 6130 1 8 . 1 1 2 2 GLU HA H 1 4.459 . . . . . . . . . . . 6130 1 9 . 1 1 2 2 GLU HB2 H 1 1.728 . . . . . . . . . . . 6130 1 10 . 1 1 2 2 GLU CG C 13 33.86 . . . . . . . . . . . 6130 1 11 . 1 1 2 2 GLU HG2 H 1 2.155 . . . . . . . . . . . 6130 1 12 . 1 1 2 2 GLU HG3 H 1 1.984 . . . . . . . . . . . 6130 1 13 . 1 1 3 3 VAL H H 1 8.463 . . . . . . . . . . . 6130 1 14 . 1 1 3 3 VAL N N 15 122.59 . . . . . . . . . . . 6130 1 15 . 1 1 3 3 VAL CA C 13 58.54 . . . . . . . . . . . 6130 1 16 . 1 1 3 3 VAL CB C 13 31.79 . . . . . . . . . . . 6130 1 17 . 1 1 3 3 VAL HA H 1 4.179 . . . . . . . . . . . 6130 1 18 . 1 1 3 3 VAL HB H 1 1.252 . . . . . . . . . . . 6130 1 19 . 1 1 3 3 VAL CG1 C 13 20.11 . . . . . . . . . . . 6130 1 20 . 1 1 3 3 VAL HG11 H 1 0.744 . . . . . . . . . . . 6130 1 21 . 1 1 3 3 VAL HG12 H 1 0.744 . . . . . . . . . . . 6130 1 22 . 1 1 3 3 VAL HG13 H 1 0.744 . . . . . . . . . . . 6130 1 23 . 1 1 3 3 VAL CG2 C 13 19.13 . . . . . . . . . . . 6130 1 24 . 1 1 3 3 VAL HG21 H 1 0.553 . . . . . . . . . . . 6130 1 25 . 1 1 3 3 VAL HG22 H 1 0.553 . . . . . . . . . . . 6130 1 26 . 1 1 3 3 VAL HG23 H 1 0.553 . . . . . . . . . . . 6130 1 27 . 1 1 4 4 VAL H H 1 8.274 . . . . . . . . . . . 6130 1 28 . 1 1 4 4 VAL N N 15 122.89 . . . . . . . . . . . 6130 1 29 . 1 1 4 4 VAL CA C 13 59.01 . . . . . . . . . . . 6130 1 30 . 1 1 4 4 VAL C C 13 172.09 . . . . . . . . . . . 6130 1 31 . 1 1 4 4 VAL CB C 13 30.95 . . . . . . . . . . . 6130 1 32 . 1 1 4 4 VAL HA H 1 4.821 . . . . . . . . . . . 6130 1 33 . 1 1 4 4 VAL HB H 1 1.907 . . . . . . . . . . . 6130 1 34 . 1 1 4 4 VAL CG1 C 13 19.06 . . . . . . . . . . . 6130 1 35 . 1 1 4 4 VAL HG11 H 1 0.864 . . . . . . . . . . . 6130 1 36 . 1 1 4 4 VAL HG12 H 1 0.864 . . . . . . . . . . . 6130 1 37 . 1 1 4 4 VAL HG13 H 1 0.864 . . . . . . . . . . . 6130 1 38 . 1 1 4 4 VAL CG2 C 13 18.82 . . . . . . . . . . . 6130 1 39 . 1 1 4 4 VAL HG21 H 1 0.759 . . . . . . . . . . . 6130 1 40 . 1 1 4 4 VAL HG22 H 1 0.759 . . . . . . . . . . . 6130 1 41 . 1 1 4 4 VAL HG23 H 1 0.759 . . . . . . . . . . . 6130 1 42 . 1 1 5 5 LEU H H 1 9.723 . . . . . . . . . . . 6130 1 43 . 1 1 5 5 LEU N N 15 130.27 . . . . . . . . . . . 6130 1 44 . 1 1 5 5 LEU CA C 13 50.86 . . . . . . . . . . . 6130 1 45 . 1 1 5 5 LEU C C 13 171.88 . . . . . . . . . . . 6130 1 46 . 1 1 5 5 LEU CB C 13 44.01 . . . . . . . . . . . 6130 1 47 . 1 1 5 5 LEU HB3 H 1 1.681 . . . . . . . . . . . 6130 1 48 . 1 1 5 5 LEU HA H 1 4.960 . . . . . . . . . . . 6130 1 49 . 1 1 5 5 LEU HB2 H 1 1.857 . . . . . . . . . . . 6130 1 50 . 1 1 5 5 LEU CD1 C 13 25.00 . . . . . . . . . . . 6130 1 51 . 1 1 5 5 LEU HD11 H 1 0.728 . . . . . . . . . . . 6130 1 52 . 1 1 5 5 LEU HD12 H 1 0.728 . . . . . . . . . . . 6130 1 53 . 1 1 5 5 LEU HD13 H 1 0.728 . . . . . . . . . . . 6130 1 54 . 1 1 5 5 LEU CD2 C 13 22.58 . . . . . . . . . . . 6130 1 55 . 1 1 5 5 LEU HD21 H 1 0.964 . . . . . . . . . . . 6130 1 56 . 1 1 5 5 LEU HD22 H 1 0.964 . . . . . . . . . . . 6130 1 57 . 1 1 5 5 LEU HD23 H 1 0.964 . . . . . . . . . . . 6130 1 58 . 1 1 5 5 LEU CG C 13 25.51 . . . . . . . . . . . 6130 1 59 . 1 1 5 5 LEU HG H 1 1.394 . . . . . . . . . . . 6130 1 60 . 1 1 6 6 LYS H H 1 8.798 . . . . . . . . . . . 6130 1 61 . 1 1 6 6 LYS N N 15 123.51 . . . . . . . . . . . 6130 1 62 . 1 1 6 6 LYS CA C 13 51.92 . . . . . . . . . . . 6130 1 63 . 1 1 6 6 LYS C C 13 172.85 . . . . . . . . . . . 6130 1 64 . 1 1 6 6 LYS CB C 13 32.22 . . . . . . . . . . . 6130 1 65 . 1 1 6 6 LYS HB3 H 1 1.528 . . . . . . . . . . . 6130 1 66 . 1 1 6 6 LYS HA H 1 5.375 . . . . . . . . . . . 6130 1 67 . 1 1 6 6 LYS HB2 H 1 1.717 . . . . . . . . . . . 6130 1 68 . 1 1 6 6 LYS CD C 13 26.88 . . . . . . . . . . . 6130 1 69 . 1 1 6 6 LYS HD2 H 1 1.436 . . . . . . . . . . . 6130 1 70 . 1 1 6 6 LYS HD3 H 1 1.613 . . . . . . . . . . . 6130 1 71 . 1 1 6 6 LYS CG C 13 22.83 . . . . . . . . . . . 6130 1 72 . 1 1 6 6 LYS HG2 H 1 1.373 . . . . . . . . . . . 6130 1 73 . 1 1 6 6 LYS CE C 13 39.72 . . . . . . . . . . . 6130 1 74 . 1 1 6 6 LYS HE2 H 1 2.768 . . . . . . . . . . . 6130 1 75 . 1 1 7 7 MET H H 1 9.069 . . . . . . . . . . . 6130 1 76 . 1 1 7 7 MET N N 15 121.67 . . . . . . . . . . . 6130 1 77 . 1 1 7 7 MET CA C 13 51.30 . . . . . . . . . . . 6130 1 78 . 1 1 7 7 MET C C 13 172.85 . . . . . . . . . . . 6130 1 79 . 1 1 7 7 MET CB C 13 35.10 . . . . . . . . . . . 6130 1 80 . 1 1 7 7 MET HB3 H 1 1.513 . . . . . . . . . . . 6130 1 81 . 1 1 7 7 MET HA H 1 5.068 . . . . . . . . . . . 6130 1 82 . 1 1 7 7 MET HB2 H 1 1.925 . . . . . . . . . . . 6130 1 83 . 1 1 7 7 MET CG C 13 29.95 . . . . . . . . . . . 6130 1 84 . 1 1 7 7 MET HG2 H 1 2.227 . . . . . . . . . . . 6130 1 85 . 1 1 7 7 MET HG3 H 1 2.074 . . . . . . . . . . . 6130 1 86 . 1 1 8 8 LYS H H 1 9.253 . . . . . . . . . . . 6130 1 87 . 1 1 8 8 LYS N N 15 126.59 . . . . . . . . . . . 6130 1 88 . 1 1 8 8 LYS CA C 13 53.33 . . . . . . . . . . . 6130 1 89 . 1 1 8 8 LYS C C 13 172.75 . . . . . . . . . . . 6130 1 90 . 1 1 8 8 LYS CB C 13 31.10 . . . . . . . . . . . 6130 1 91 . 1 1 8 8 LYS HB3 H 1 1.631 . . . . . . . . . . . 6130 1 92 . 1 1 8 8 LYS HA H 1 4.835 . . . . . . . . . . . 6130 1 93 . 1 1 8 8 LYS HB2 H 1 1.798 . . . . . . . . . . . 6130 1 94 . 1 1 8 8 LYS CD C 13 26.73 . . . . . . . . . . . 6130 1 95 . 1 1 8 8 LYS HD2 H 1 1.595 . . . . . . . . . . . 6130 1 96 . 1 1 8 8 LYS HD3 H 1 1.728 . . . . . . . . . . . 6130 1 97 . 1 1 8 8 LYS CG C 13 22.69 . . . . . . . . . . . 6130 1 98 . 1 1 8 8 LYS HG2 H 1 1.338 . . . . . . . . . . . 6130 1 99 . 1 1 8 8 LYS HG3 H 1 1.590 . . . . . . . . . . . 6130 1 100 . 1 1 8 8 LYS CE C 13 39.75 . . . . . . . . . . . 6130 1 101 . 1 1 8 8 LYS HE2 H 1 2.897 . . . . . . . . . . . 6130 1 102 . 1 1 8 8 LYS HE3 H 1 2.813 . . . . . . . . . . . 6130 1 103 . 1 1 9 9 VAL H H 1 7.896 . . . . . . . . . . . 6130 1 104 . 1 1 9 9 VAL N N 15 125.97 . . . . . . . . . . . 6130 1 105 . 1 1 9 9 VAL CA C 13 59.03 . . . . . . . . . . . 6130 1 106 . 1 1 9 9 VAL C C 13 172.78 . . . . . . . . . . . 6130 1 107 . 1 1 9 9 VAL CB C 13 31.76 . . . . . . . . . . . 6130 1 108 . 1 1 9 9 VAL HA H 1 4.721 . . . . . . . . . . . 6130 1 109 . 1 1 9 9 VAL HB H 1 1.489 . . . . . . . . . . . 6130 1 110 . 1 1 9 9 VAL CG1 C 13 18.79 . . . . . . . . . . . 6130 1 111 . 1 1 9 9 VAL HG11 H 1 0.648 . . . . . . . . . . . 6130 1 112 . 1 1 9 9 VAL HG12 H 1 0.648 . . . . . . . . . . . 6130 1 113 . 1 1 9 9 VAL HG13 H 1 0.648 . . . . . . . . . . . 6130 1 114 . 1 1 9 9 VAL CG2 C 13 20.19 . . . . . . . . . . . 6130 1 115 . 1 1 9 9 VAL HG21 H 1 0.673 . . . . . . . . . . . 6130 1 116 . 1 1 9 9 VAL HG22 H 1 0.673 . . . . . . . . . . . 6130 1 117 . 1 1 9 9 VAL HG23 H 1 0.673 . . . . . . . . . . . 6130 1 118 . 1 1 10 10 GLU H H 1 8.970 . . . . . . . . . . . 6130 1 119 . 1 1 10 10 GLU N N 15 125.97 . . . . . . . . . . . 6130 1 120 . 1 1 10 10 GLU CA C 13 53.17 . . . . . . . . . . . 6130 1 121 . 1 1 10 10 GLU C C 13 172.75 . . . . . . . . . . . 6130 1 122 . 1 1 10 10 GLU CB C 13 29.63 . . . . . . . . . . . 6130 1 123 . 1 1 10 10 GLU HB3 H 1 2.125 . . . . . . . . . . . 6130 1 124 . 1 1 10 10 GLU HA H 1 4.493 . . . . . . . . . . . 6130 1 125 . 1 1 10 10 GLU HB2 H 1 1.906 . . . . . . . . . . . 6130 1 126 . 1 1 10 10 GLU CG C 13 34.98 . . . . . . . . . . . 6130 1 127 . 1 1 10 10 GLU HG2 H 1 2.275 . . . . . . . . . . . 6130 1 128 . 1 1 10 10 GLU HG3 H 1 2.149 . . . . . . . . . . . 6130 1 129 . 1 1 11 11 GLY H H 1 8.164 . . . . . . . . . . . 6130 1 130 . 1 1 11 11 GLY N N 15 102.59 . . . . . . . . . . . 6130 1 131 . 1 1 11 11 GLY CA C 13 43.41 . . . . . . . . . . . 6130 1 132 . 1 1 11 11 GLY C C 13 173.25 . . . . . . . . . . . 6130 1 133 . 1 1 11 11 GLY HA2 H 1 3.640 . . . . . . . . . . . 6130 1 134 . 1 1 11 11 GLY HA3 H 1 4.342 . . . . . . . . . . . 6130 1 135 . 1 1 12 12 MET H H 1 8.880 . . . . . . . . . . . 6130 1 136 . 1 1 12 12 MET N N 15 119.53 . . . . . . . . . . . 6130 1 137 . 1 1 12 12 MET CA C 13 54.24 . . . . . . . . . . . 6130 1 138 . 1 1 12 12 MET C C 13 174.70 . . . . . . . . . . . 6130 1 139 . 1 1 12 12 MET CB C 13 31.57 . . . . . . . . . . . 6130 1 140 . 1 1 12 12 MET HB3 H 1 1.330 . . . . . . . . . . . 6130 1 141 . 1 1 12 12 MET HA H 1 4.603 . . . . . . . . . . . 6130 1 142 . 1 1 12 12 MET HB2 H 1 2.389 . . . . . . . . . . . 6130 1 143 . 1 1 12 12 MET CG C 13 28.59 . . . . . . . . . . . 6130 1 144 . 1 1 12 12 MET HG2 H 1 1.26 . . . . . . . . . . . 6130 1 145 . 1 1 12 12 MET HG3 H 1 2.013 . . . . . . . . . . . 6130 1 146 . 1 1 13 13 THR H H 1 8.914 . . . . . . . . . . . 6130 1 147 . 1 1 13 13 THR N N 15 114.46 . . . . . . . . . . . 6130 1 148 . 1 1 13 13 THR CA C 13 59.95 . . . . . . . . . . . 6130 1 149 . 1 1 13 13 THR C C 13 171.73 . . . . . . . . . . . 6130 1 150 . 1 1 13 13 THR CB C 13 68.35 . . . . . . . . . . . 6130 1 151 . 1 1 13 13 THR HA H 1 4.440 . . . . . . . . . . . 6130 1 152 . 1 1 13 13 THR HB H 1 4.310 . . . . . . . . . . . 6130 1 153 . 1 1 13 13 THR CG2 C 13 19.25 . . . . . . . . . . . 6130 1 154 . 1 1 13 13 THR HG21 H 1 1.139 . . . . . . . . . . . 6130 1 155 . 1 1 13 13 THR HG22 H 1 1.139 . . . . . . . . . . . 6130 1 156 . 1 1 13 13 THR HG23 H 1 1.139 . . . . . . . . . . . 6130 1 157 . 1 1 14 14 CYS H H 1 8.043 . . . . . . . . . . . 6130 1 158 . 1 1 14 14 CYS N N 15 117.29 . . . . . . . . . . . 6130 1 159 . 1 1 14 14 CYS CA C 13 54.65 . . . . . . . . . . . 6130 1 160 . 1 1 14 14 CYS C C 13 172.01 . . . . . . . . . . . 6130 1 161 . 1 1 14 14 CYS CB C 13 28.26 . . . . . . . . . . . 6130 1 162 . 1 1 14 14 CYS HB3 H 1 3.146 . . . . . . . . . . . 6130 1 163 . 1 1 14 14 CYS HA H 1 4.856 . . . . . . . . . . . 6130 1 164 . 1 1 14 14 CYS HB2 H 1 3.272 . . . . . . . . . . . 6130 1 165 . 1 1 15 15 HIS CA C 13 57.67 . . . . . . . . . . . 6130 1 166 . 1 1 15 15 HIS CB C 13 27.65 . . . . . . . . . . . 6130 1 167 . 1 1 15 15 HIS HA H 1 4.422 . . . . . . . . . . . 6130 1 168 . 1 1 15 15 HIS HB2 H 1 3.171 . . . . . . . . . . . 6130 1 169 . 1 1 16 16 SER CA C 13 59.22 . . . . . . . . . . . 6130 1 170 . 1 1 16 16 SER C C 13 173.81 . . . . . . . . . . . 6130 1 171 . 1 1 16 16 SER CB C 13 59.99 . . . . . . . . . . . 6130 1 172 . 1 1 16 16 SER HB3 H 1 3.939 . . . . . . . . . . . 6130 1 173 . 1 1 16 16 SER HA H 1 4.266 . . . . . . . . . . . 6130 1 174 . 1 1 16 16 SER HB2 H 1 4.007 . . . . . . . . . . . 6130 1 175 . 1 1 17 17 CYS H H 1 7.758 . . . . . . . . . . . 6130 1 176 . 1 1 17 17 CYS N N 15 122.11 . . . . . . . . . . . 6130 1 177 . 1 1 17 17 CYS CA C 13 60.76 . . . . . . . . . . . 6130 1 178 . 1 1 17 17 CYS C C 13 174.50 . . . . . . . . . . . 6130 1 179 . 1 1 17 17 CYS CB C 13 25.88 . . . . . . . . . . . 6130 1 180 . 1 1 17 17 CYS HB3 H 1 3.05 . . . . . . . . . . . 6130 1 181 . 1 1 17 17 CYS HA H 1 4.105 . . . . . . . . . . . 6130 1 182 . 1 1 17 17 CYS HB2 H 1 2.708 . . . . . . . . . . . 6130 1 183 . 1 1 18 18 THR H H 1 7.337 . . . . . . . . . . . 6130 1 184 . 1 1 18 18 THR N N 15 108.76 . . . . . . . . . . . 6130 1 185 . 1 1 18 18 THR CA C 13 63.10 . . . . . . . . . . . 6130 1 186 . 1 1 18 18 THR C C 13 173.86 . . . . . . . . . . . 6130 1 187 . 1 1 18 18 THR CB C 13 64.76 . . . . . . . . . . . 6130 1 188 . 1 1 18 18 THR HA H 1 3.519 . . . . . . . . . . . 6130 1 189 . 1 1 18 18 THR HB H 1 4.074 . . . . . . . . . . . 6130 1 190 . 1 1 18 18 THR CG2 C 13 20.68 . . . . . . . . . . . 6130 1 191 . 1 1 18 18 THR HG21 H 1 1.181 . . . . . . . . . . . 6130 1 192 . 1 1 18 18 THR HG22 H 1 1.181 . . . . . . . . . . . 6130 1 193 . 1 1 18 18 THR HG23 H 1 1.181 . . . . . . . . . . . 6130 1 194 . 1 1 19 19 SER H H 1 7.457 . . . . . . . . . . . 6130 1 195 . 1 1 19 19 SER N N 15 117.04 . . . . . . . . . . . 6130 1 196 . 1 1 19 19 SER CA C 13 58.60 . . . . . . . . . . . 6130 1 197 . 1 1 19 19 SER C C 13 174.51 . . . . . . . . . . . 6130 1 198 . 1 1 19 19 SER CB C 13 60.17 . . . . . . . . . . . 6130 1 199 . 1 1 19 19 SER HB3 H 1 3.886 . . . . . . . . . . . 6130 1 200 . 1 1 19 19 SER HA H 1 4.198 . . . . . . . . . . . 6130 1 201 . 1 1 19 19 SER HB2 H 1 3.887 . . . . . . . . . . . 6130 1 202 . 1 1 20 20 THR H H 1 8.014 . . . . . . . . . . . 6130 1 203 . 1 1 20 20 THR N N 15 120.74 . . . . . . . . . . . 6130 1 204 . 1 1 20 20 THR CA C 13 64.27 . . . . . . . . . . . 6130 1 205 . 1 1 20 20 THR C C 13 173.91 . . . . . . . . . . . 6130 1 206 . 1 1 20 20 THR CB C 13 66.06 . . . . . . . . . . . 6130 1 207 . 1 1 20 20 THR HA H 1 3.922 . . . . . . . . . . . 6130 1 208 . 1 1 20 20 THR HB H 1 4.324 . . . . . . . . . . . 6130 1 209 . 1 1 20 20 THR CG2 C 13 19.24 . . . . . . . . . . . 6130 1 210 . 1 1 20 20 THR HG21 H 1 1.304 . . . . . . . . . . . 6130 1 211 . 1 1 20 20 THR HG22 H 1 1.304 . . . . . . . . . . . 6130 1 212 . 1 1 20 20 THR HG23 H 1 1.304 . . . . . . . . . . . 6130 1 213 . 1 1 21 21 ILE H H 1 7.617 . . . . . . . . . . . 6130 1 214 . 1 1 21 21 ILE N N 15 121.05 . . . . . . . . . . . 6130 1 215 . 1 1 21 21 ILE CA C 13 63.76 . . . . . . . . . . . 6130 1 216 . 1 1 21 21 ILE C C 13 175.25 . . . . . . . . . . . 6130 1 217 . 1 1 21 21 ILE CB C 13 36.17 . . . . . . . . . . . 6130 1 218 . 1 1 21 21 ILE HA H 1 3.435 . . . . . . . . . . . 6130 1 219 . 1 1 21 21 ILE HB H 1 1.541 . . . . . . . . . . . 6130 1 220 . 1 1 21 21 ILE CG1 C 13 26.80 . . . . . . . . . . . 6130 1 221 . 1 1 21 21 ILE HG12 H 1 1.646 . . . . . . . . . . . 6130 1 222 . 1 1 21 21 ILE HG13 H 1 0.671 . . . . . . . . . . . 6130 1 223 . 1 1 21 21 ILE CG2 C 13 15.21 . . . . . . . . . . . 6130 1 224 . 1 1 21 21 ILE HG21 H 1 0.596 . . . . . . . . . . . 6130 1 225 . 1 1 21 21 ILE HG22 H 1 0.596 . . . . . . . . . . . 6130 1 226 . 1 1 21 21 ILE HG23 H 1 0.596 . . . . . . . . . . . 6130 1 227 . 1 1 21 21 ILE CD1 C 13 11.92 . . . . . . . . . . . 6130 1 228 . 1 1 21 21 ILE HD11 H 1 -0.011 . . . . . . . . . . . 6130 1 229 . 1 1 21 21 ILE HD12 H 1 -0.011 . . . . . . . . . . . 6130 1 230 . 1 1 21 21 ILE HD13 H 1 -0.011 . . . . . . . . . . . 6130 1 231 . 1 1 22 22 GLU H H 1 8.268 . . . . . . . . . . . 6130 1 232 . 1 1 22 22 GLU N N 15 117.06 . . . . . . . . . . . 6130 1 233 . 1 1 22 22 GLU CA C 13 57.53 . . . . . . . . . . . 6130 1 234 . 1 1 22 22 GLU C C 13 177.86 . . . . . . . . . . . 6130 1 235 . 1 1 22 22 GLU CB C 13 27.13 . . . . . . . . . . . 6130 1 236 . 1 1 22 22 GLU HB3 H 1 2.055 . . . . . . . . . . . 6130 1 237 . 1 1 22 22 GLU HA H 1 3.582 . . . . . . . . . . . 6130 1 238 . 1 1 22 22 GLU HB2 H 1 1.907 . . . . . . . . . . . 6130 1 239 . 1 1 22 22 GLU CG C 13 35.19 . . . . . . . . . . . 6130 1 240 . 1 1 22 22 GLU HG2 H 1 1.993 . . . . . . . . . . . 6130 1 241 . 1 1 22 22 GLU HG3 H 1 2.502 . . . . . . . . . . . 6130 1 242 . 1 1 23 23 GLY H H 1 8.282 . . . . . . . . . . . 6130 1 243 . 1 1 23 23 GLY N N 15 105.38 . . . . . . . . . . . 6130 1 244 . 1 1 23 23 GLY CA C 13 44.38 . . . . . . . . . . . 6130 1 245 . 1 1 23 23 GLY C C 13 172.24 . . . . . . . . . . . 6130 1 246 . 1 1 23 23 GLY HA2 H 1 3.705 . . . . . . . . . . . 6130 1 247 . 1 1 23 23 GLY HA3 H 1 3.778 . . . . . . . . . . . 6130 1 248 . 1 1 24 24 LYS H H 1 7.419 . . . . . . . . . . . 6130 1 249 . 1 1 24 24 LYS N N 15 118.59 . . . . . . . . . . . 6130 1 250 . 1 1 24 24 LYS CA C 13 55.97 . . . . . . . . . . . 6130 1 251 . 1 1 24 24 LYS C C 13 176.40 . . . . . . . . . . . 6130 1 252 . 1 1 24 24 LYS CB C 13 30.84 . . . . . . . . . . . 6130 1 253 . 1 1 24 24 LYS HB3 H 1 1.872 . . . . . . . . . . . 6130 1 254 . 1 1 24 24 LYS HA H 1 4.170 . . . . . . . . . . . 6130 1 255 . 1 1 24 24 LYS HB2 H 1 1.739 . . . . . . . . . . . 6130 1 256 . 1 1 24 24 LYS CD C 13 26.37 . . . . . . . . . . . 6130 1 257 . 1 1 24 24 LYS HD2 H 1 1.719 . . . . . . . . . . . 6130 1 258 . 1 1 24 24 LYS CG C 13 22.77 . . . . . . . . . . . 6130 1 259 . 1 1 24 24 LYS HG2 H 1 1.398 . . . . . . . . . . . 6130 1 260 . 1 1 24 24 LYS HG3 H 1 1.435 . . . . . . . . . . . 6130 1 261 . 1 1 24 24 LYS CE C 13 39.94 . . . . . . . . . . . 6130 1 262 . 1 1 24 24 LYS HE2 H 1 2.954 . . . . . . . . . . . 6130 1 263 . 1 1 25 25 ILE H H 1 8.288 . . . . . . . . . . . 6130 1 264 . 1 1 25 25 ILE N N 15 116.75 . . . . . . . . . . . 6130 1 265 . 1 1 25 25 ILE CA C 13 57.92 . . . . . . . . . . . 6130 1 266 . 1 1 25 25 ILE C C 13 175.11 . . . . . . . . . . . 6130 1 267 . 1 1 25 25 ILE CB C 13 32.02 . . . . . . . . . . . 6130 1 268 . 1 1 25 25 ILE HA H 1 3.724 . . . . . . . . . . . 6130 1 269 . 1 1 25 25 ILE HB H 1 2.002 . . . . . . . . . . . 6130 1 270 . 1 1 25 25 ILE CG1 C 13 25.77 . . . . . . . . . . . 6130 1 271 . 1 1 25 25 ILE HG12 H 1 1.819 . . . . . . . . . . . 6130 1 272 . 1 1 25 25 ILE HG13 H 1 0.905 . . . . . . . . . . . 6130 1 273 . 1 1 25 25 ILE CG2 C 13 16.18 . . . . . . . . . . . 6130 1 274 . 1 1 25 25 ILE HG21 H 1 0.711 . . . . . . . . . . . 6130 1 275 . 1 1 25 25 ILE HG22 H 1 0.711 . . . . . . . . . . . 6130 1 276 . 1 1 25 25 ILE HG23 H 1 0.711 . . . . . . . . . . . 6130 1 277 . 1 1 25 25 ILE CD1 C 13 6.98 . . . . . . . . . . . 6130 1 278 . 1 1 25 25 ILE HD11 H 1 0.526 . . . . . . . . . . . 6130 1 279 . 1 1 25 25 ILE HD12 H 1 0.526 . . . . . . . . . . . 6130 1 280 . 1 1 25 25 ILE HD13 H 1 0.526 . . . . . . . . . . . 6130 1 281 . 1 1 26 26 GLY H H 1 7.728 . . . . . . . . . . . 6130 1 282 . 1 1 26 26 GLY N N 15 102.92 . . . . . . . . . . . 6130 1 283 . 1 1 26 26 GLY CA C 13 43.84 . . . . . . . . . . . 6130 1 284 . 1 1 26 26 GLY C C 13 171.28 . . . . . . . . . . . 6130 1 285 . 1 1 26 26 GLY HA2 H 1 3.658 . . . . . . . . . . . 6130 1 286 . 1 1 26 26 GLY HA3 H 1 3.753 . . . . . . . . . . . 6130 1 287 . 1 1 27 27 LYS H H 1 6.556 . . . . . . . . . . . 6130 1 288 . 1 1 27 27 LYS N N 15 114.60 . . . . . . . . . . . 6130 1 289 . 1 1 27 27 LYS CA C 13 53.25 . . . . . . . . . . . 6130 1 290 . 1 1 27 27 LYS C C 13 174.55 . . . . . . . . . . . 6130 1 291 . 1 1 27 27 LYS CB C 13 30.82 . . . . . . . . . . . 6130 1 292 . 1 1 27 27 LYS HB3 H 1 1.947 . . . . . . . . . . . 6130 1 293 . 1 1 27 27 LYS HA H 1 4.302 . . . . . . . . . . . 6130 1 294 . 1 1 27 27 LYS HB2 H 1 1.704 . . . . . . . . . . . 6130 1 295 . 1 1 27 27 LYS CD C 13 26.66 . . . . . . . . . . . 6130 1 296 . 1 1 27 27 LYS HD2 H 1 1.638 . . . . . . . . . . . 6130 1 297 . 1 1 27 27 LYS CG C 13 22.62 . . . . . . . . . . . 6130 1 298 . 1 1 27 27 LYS HG2 H 1 1.445 . . . . . . . . . . . 6130 1 299 . 1 1 27 27 LYS HG3 H 1 1.556 . . . . . . . . . . . 6130 1 300 . 1 1 27 27 LYS CE C 13 39.77 . . . . . . . . . . . 6130 1 301 . 1 1 27 27 LYS HE2 H 1 2.961 . . . . . . . . . . . 6130 1 302 . 1 1 28 28 LEU H H 1 7.376 . . . . . . . . . . . 6130 1 303 . 1 1 28 28 LEU N N 15 120.74 . . . . . . . . . . . 6130 1 304 . 1 1 28 28 LEU CA C 13 52.41 . . . . . . . . . . . 6130 1 305 . 1 1 28 28 LEU C C 13 175.02 . . . . . . . . . . . 6130 1 306 . 1 1 28 28 LEU CB C 13 38.77 . . . . . . . . . . . 6130 1 307 . 1 1 28 28 LEU HB3 H 1 1.859 . . . . . . . . . . . 6130 1 308 . 1 1 28 28 LEU HA H 1 4.114 . . . . . . . . . . . 6130 1 309 . 1 1 28 28 LEU HB2 H 1 1.221 . . . . . . . . . . . 6130 1 310 . 1 1 28 28 LEU CD1 C 13 23.63 . . . . . . . . . . . 6130 1 311 . 1 1 28 28 LEU HD11 H 1 0.767 . . . . . . . . . . . 6130 1 312 . 1 1 28 28 LEU HD12 H 1 0.767 . . . . . . . . . . . 6130 1 313 . 1 1 28 28 LEU HD13 H 1 0.767 . . . . . . . . . . . 6130 1 314 . 1 1 28 28 LEU CD2 C 13 19.52 . . . . . . . . . . . 6130 1 315 . 1 1 28 28 LEU HD21 H 1 0.766 . . . . . . . . . . . 6130 1 316 . 1 1 28 28 LEU HD22 H 1 0.766 . . . . . . . . . . . 6130 1 317 . 1 1 28 28 LEU HD23 H 1 0.766 . . . . . . . . . . . 6130 1 318 . 1 1 28 28 LEU CG C 13 23.77 . . . . . . . . . . . 6130 1 319 . 1 1 28 28 LEU HG H 1 1.930 . . . . . . . . . . . 6130 1 320 . 1 1 29 29 GLN H H 1 8.569 . . . . . . . . . . . 6130 1 321 . 1 1 29 29 GLN N N 15 123.82 . . . . . . . . . . . 6130 1 322 . 1 1 29 29 GLN CA C 13 55.06 . . . . . . . . . . . 6130 1 323 . 1 1 29 29 GLN C C 13 172.89 . . . . . . . . . . . 6130 1 324 . 1 1 29 29 GLN CB C 13 25.81 . . . . . . . . . . . 6130 1 325 . 1 1 29 29 GLN HA H 1 3.950 . . . . . . . . . . . 6130 1 326 . 1 1 29 29 GLN HB2 H 1 1.988 . . . . . . . . . . . 6130 1 327 . 1 1 29 29 GLN CG C 13 31.82 . . . . . . . . . . . 6130 1 328 . 1 1 29 29 GLN HG2 H 1 2.336 . . . . . . . . . . . 6130 1 329 . 1 1 29 29 GLN HG3 H 1 2.248 . . . . . . . . . . . 6130 1 330 . 1 1 29 29 GLN NE2 N 15 111.21 . . . . . . . . . . . 6130 1 331 . 1 1 29 29 GLN HE21 H 1 7.453 . . . . . . . . . . . 6130 1 332 . 1 1 29 29 GLN HE22 H 1 6.779 . . . . . . . . . . . 6130 1 333 . 1 1 30 30 GLY H H 1 8.527 . . . . . . . . . . . 6130 1 334 . 1 1 30 30 GLY N N 15 109.68 . . . . . . . . . . . 6130 1 335 . 1 1 30 30 GLY CA C 13 43.76 . . . . . . . . . . . 6130 1 336 . 1 1 30 30 GLY C C 13 171.27 . . . . . . . . . . . 6130 1 337 . 1 1 30 30 GLY HA2 H 1 3.467 . . . . . . . . . . . 6130 1 338 . 1 1 30 30 GLY HA3 H 1 4.239 . . . . . . . . . . . 6130 1 339 . 1 1 31 31 VAL H H 1 7.586 . . . . . . . . . . . 6130 1 340 . 1 1 31 31 VAL N N 15 120.13 . . . . . . . . . . . 6130 1 341 . 1 1 31 31 VAL CA C 13 61.45 . . . . . . . . . . . 6130 1 342 . 1 1 31 31 VAL C C 13 173.15 . . . . . . . . . . . 6130 1 343 . 1 1 31 31 VAL CB C 13 28.70 . . . . . . . . . . . 6130 1 344 . 1 1 31 31 VAL HA H 1 3.897 . . . . . . . . . . . 6130 1 345 . 1 1 31 31 VAL HB H 1 2.231 . . . . . . . . . . . 6130 1 346 . 1 1 31 31 VAL CG1 C 13 20.28 . . . . . . . . . . . 6130 1 347 . 1 1 31 31 VAL HG11 H 1 0.797 . . . . . . . . . . . 6130 1 348 . 1 1 31 31 VAL HG12 H 1 0.797 . . . . . . . . . . . 6130 1 349 . 1 1 31 31 VAL HG13 H 1 0.797 . . . . . . . . . . . 6130 1 350 . 1 1 31 31 VAL CG2 C 13 19.10 . . . . . . . . . . . 6130 1 351 . 1 1 31 31 VAL HG21 H 1 0.673 . . . . . . . . . . . 6130 1 352 . 1 1 31 31 VAL HG22 H 1 0.673 . . . . . . . . . . . 6130 1 353 . 1 1 31 31 VAL HG23 H 1 0.673 . . . . . . . . . . . 6130 1 354 . 1 1 32 32 GLN H H 1 9.159 . . . . . . . . . . . 6130 1 355 . 1 1 32 32 GLN N N 15 127.20 . . . . . . . . . . . 6130 1 356 . 1 1 32 32 GLN CA C 13 54.23 . . . . . . . . . . . 6130 1 357 . 1 1 32 32 GLN C C 13 173.97 . . . . . . . . . . . 6130 1 358 . 1 1 32 32 GLN CB C 13 28.05 . . . . . . . . . . . 6130 1 359 . 1 1 32 32 GLN HB3 H 1 2.007 . . . . . . . . . . . 6130 1 360 . 1 1 32 32 GLN HA H 1 4.294 . . . . . . . . . . . 6130 1 361 . 1 1 32 32 GLN HB2 H 1 1.686 . . . . . . . . . . . 6130 1 362 . 1 1 32 32 GLN CG C 13 31.52 . . . . . . . . . . . 6130 1 363 . 1 1 32 32 GLN HG2 H 1 2.089 . . . . . . . . . . . 6130 1 364 . 1 1 32 32 GLN HG3 H 1 2.293 . . . . . . . . . . . 6130 1 365 . 1 1 32 32 GLN NE2 N 15 111.80 . . . . . . . . . . . 6130 1 366 . 1 1 32 32 GLN HE22 H 1 7.550 . . . . . . . . . . . 6130 1 367 . 1 1 32 32 GLN HE21 H 1 6.820 . . . . . . . . . . . 6130 1 368 . 1 1 33 33 ARG H H 1 7.675 . . . . . . . . . . . 6130 1 369 . 1 1 33 33 ARG N N 15 115.21 . . . . . . . . . . . 6130 1 370 . 1 1 33 33 ARG CA C 13 53.16 . . . . . . . . . . . 6130 1 371 . 1 1 33 33 ARG C C 13 170.70 . . . . . . . . . . . 6130 1 372 . 1 1 33 33 ARG CB C 13 31.23 . . . . . . . . . . . 6130 1 373 . 1 1 33 33 ARG HA H 1 4.514 . . . . . . . . . . . 6130 1 374 . 1 1 33 33 ARG HB2 H 1 1.702 . . . . . . . . . . . 6130 1 375 . 1 1 33 33 ARG CG C 13 24.54 . . . . . . . . . . . 6130 1 376 . 1 1 33 33 ARG HG2 H 1 1.487 . . . . . . . . . . . 6130 1 377 . 1 1 33 33 ARG HG3 H 1 1.423 . . . . . . . . . . . 6130 1 378 . 1 1 33 33 ARG CD C 13 41.06 . . . . . . . . . . . 6130 1 379 . 1 1 33 33 ARG HD2 H 1 3.101 . . . . . . . . . . . 6130 1 380 . 1 1 34 34 ILE H H 1 8.510 . . . . . . . . . . . 6130 1 381 . 1 1 34 34 ILE N N 15 119.21 . . . . . . . . . . . 6130 1 382 . 1 1 34 34 ILE CA C 13 56.36 . . . . . . . . . . . 6130 1 383 . 1 1 34 34 ILE C C 13 169.27 . . . . . . . . . . . 6130 1 384 . 1 1 34 34 ILE CB C 13 37.66 . . . . . . . . . . . 6130 1 385 . 1 1 34 34 ILE HA H 1 5.202 . . . . . . . . . . . 6130 1 386 . 1 1 34 34 ILE HB H 1 1.633 . . . . . . . . . . . 6130 1 387 . 1 1 34 34 ILE CG1 C 13 26.93 . . . . . . . . . . . 6130 1 388 . 1 1 34 34 ILE HG12 H 1 1.363 . . . . . . . . . . . 6130 1 389 . 1 1 34 34 ILE HG13 H 1 0.705 . . . . . . . . . . . 6130 1 390 . 1 1 34 34 ILE CG2 C 13 11.99 . . . . . . . . . . . 6130 1 391 . 1 1 34 34 ILE HG21 H 1 0.875 . . . . . . . . . . . 6130 1 392 . 1 1 34 34 ILE HG22 H 1 0.875 . . . . . . . . . . . 6130 1 393 . 1 1 34 34 ILE HG23 H 1 0.875 . . . . . . . . . . . 6130 1 394 . 1 1 34 34 ILE CD1 C 13 11.85 . . . . . . . . . . . 6130 1 395 . 1 1 34 34 ILE HD11 H 1 0.574 . . . . . . . . . . . 6130 1 396 . 1 1 34 34 ILE HD12 H 1 0.574 . . . . . . . . . . . 6130 1 397 . 1 1 34 34 ILE HD13 H 1 0.574 . . . . . . . . . . . 6130 1 398 . 1 1 35 35 LYS H H 1 8.323 . . . . . . . . . . . 6130 1 399 . 1 1 35 35 LYS N N 15 125.97 . . . . . . . . . . . 6130 1 400 . 1 1 35 35 LYS CA C 13 51.47 . . . . . . . . . . . 6130 1 401 . 1 1 35 35 LYS C C 13 172.87 . . . . . . . . . . . 6130 1 402 . 1 1 35 35 LYS CB C 13 33.10 . . . . . . . . . . . 6130 1 403 . 1 1 35 35 LYS HB3 H 1 1.693 . . . . . . . . . . . 6130 1 404 . 1 1 35 35 LYS HA H 1 4.667 . . . . . . . . . . . 6130 1 405 . 1 1 35 35 LYS HB2 H 1 1.587 . . . . . . . . . . . 6130 1 406 . 1 1 35 35 LYS CD C 13 26.17 . . . . . . . . . . . 6130 1 407 . 1 1 35 35 LYS HD2 H 1 1.702 . . . . . . . . . . . 6130 1 408 . 1 1 35 35 LYS CG C 13 22.05 . . . . . . . . . . . 6130 1 409 . 1 1 35 35 LYS HG2 H 1 1.261 . . . . . . . . . . . 6130 1 410 . 1 1 35 35 LYS CE C 13 39.72 . . . . . . . . . . . 6130 1 411 . 1 1 35 35 LYS HE2 H 1 2.893 . . . . . . . . . . . 6130 1 412 . 1 1 36 36 VAL H H 1 10.158 . . . . . . . . . . . 6130 1 413 . 1 1 36 36 VAL N N 15 128.73 . . . . . . . . . . . 6130 1 414 . 1 1 36 36 VAL CA C 13 59.00 . . . . . . . . . . . 6130 1 415 . 1 1 36 36 VAL C C 13 171.41 . . . . . . . . . . . 6130 1 416 . 1 1 36 36 VAL CB C 13 30.28 . . . . . . . . . . . 6130 1 417 . 1 1 36 36 VAL HA H 1 4.535 . . . . . . . . . . . 6130 1 418 . 1 1 36 36 VAL HB H 1 1.867 . . . . . . . . . . . 6130 1 419 . 1 1 36 36 VAL CG1 C 13 19.80 . . . . . . . . . . . 6130 1 420 . 1 1 36 36 VAL HG11 H 1 0.739 . . . . . . . . . . . 6130 1 421 . 1 1 36 36 VAL HG12 H 1 0.739 . . . . . . . . . . . 6130 1 422 . 1 1 36 36 VAL HG13 H 1 0.739 . . . . . . . . . . . 6130 1 423 . 1 1 36 36 VAL CG2 C 13 20.11 . . . . . . . . . . . 6130 1 424 . 1 1 36 36 VAL HG21 H 1 0.601 . . . . . . . . . . . 6130 1 425 . 1 1 36 36 VAL HG22 H 1 0.601 . . . . . . . . . . . 6130 1 426 . 1 1 36 36 VAL HG23 H 1 0.601 . . . . . . . . . . . 6130 1 427 . 1 1 37 37 SER H H 1 8.727 . . . . . . . . . . . 6130 1 428 . 1 1 37 37 SER N N 15 120.44 . . . . . . . . . . . 6130 1 429 . 1 1 37 37 SER CA C 13 52.79 . . . . . . . . . . . 6130 1 430 . 1 1 37 37 SER C C 13 172.76 . . . . . . . . . . . 6130 1 431 . 1 1 37 37 SER CB C 13 62.22 . . . . . . . . . . . 6130 1 432 . 1 1 37 37 SER HB3 H 1 3.860 . . . . . . . . . . . 6130 1 433 . 1 1 37 37 SER HA H 1 4.743 . . . . . . . . . . . 6130 1 434 . 1 1 37 37 SER HB2 H 1 3.792 . . . . . . . . . . . 6130 1 435 . 1 1 38 38 LEU H H 1 9.052 . . . . . . . . . . . 6130 1 436 . 1 1 38 38 LEU N N 15 129.99 . . . . . . . . . . . 6130 1 437 . 1 1 38 38 LEU CA C 13 55.36 . . . . . . . . . . . 6130 1 438 . 1 1 38 38 LEU C C 13 176.98 . . . . . . . . . . . 6130 1 439 . 1 1 38 38 LEU CB C 13 39.95 . . . . . . . . . . . 6130 1 440 . 1 1 38 38 LEU HB3 H 1 1.680 . . . . . . . . . . . 6130 1 441 . 1 1 38 38 LEU HA H 1 3.840 . . . . . . . . . . . 6130 1 442 . 1 1 38 38 LEU HB2 H 1 1.303 . . . . . . . . . . . 6130 1 443 . 1 1 38 38 LEU CD1 C 13 21.41 . . . . . . . . . . . 6130 1 444 . 1 1 38 38 LEU HD11 H 1 0.542 . . . . . . . . . . . 6130 1 445 . 1 1 38 38 LEU HD12 H 1 0.542 . . . . . . . . . . . 6130 1 446 . 1 1 38 38 LEU HD13 H 1 0.542 . . . . . . . . . . . 6130 1 447 . 1 1 38 38 LEU CD2 C 13 22.68 . . . . . . . . . . . 6130 1 448 . 1 1 38 38 LEU HD21 H 1 0.489 . . . . . . . . . . . 6130 1 449 . 1 1 38 38 LEU HD22 H 1 0.489 . . . . . . . . . . . 6130 1 450 . 1 1 38 38 LEU HD23 H 1 0.489 . . . . . . . . . . . 6130 1 451 . 1 1 38 38 LEU CG C 13 24.01 . . . . . . . . . . . 6130 1 452 . 1 1 38 38 LEU HG H 1 1.358 . . . . . . . . . . . 6130 1 453 . 1 1 39 39 ASP H H 1 8.385 . . . . . . . . . . . 6130 1 454 . 1 1 39 39 ASP N N 15 117.06 . . . . . . . . . . . 6130 1 455 . 1 1 39 39 ASP CA C 13 54.73 . . . . . . . . . . . 6130 1 456 . 1 1 39 39 ASP C C 13 174.72 . . . . . . . . . . . 6130 1 457 . 1 1 39 39 ASP CB C 13 37.84 . . . . . . . . . . . 6130 1 458 . 1 1 39 39 ASP HB3 H 1 2.545 . . . . . . . . . . . 6130 1 459 . 1 1 39 39 ASP HA H 1 4.131 . . . . . . . . . . . 6130 1 460 . 1 1 39 39 ASP HB2 H 1 2.353 . . . . . . . . . . . 6130 1 461 . 1 1 40 40 ASN H H 1 7.609 . . . . . . . . . . . 6130 1 462 . 1 1 40 40 ASN N N 15 112.45 . . . . . . . . . . . 6130 1 463 . 1 1 40 40 ASN CA C 13 49.78 . . . . . . . . . . . 6130 1 464 . 1 1 40 40 ASN C C 13 171.05 . . . . . . . . . . . 6130 1 465 . 1 1 40 40 ASN CB C 13 36.18 . . . . . . . . . . . 6130 1 466 . 1 1 40 40 ASN HB3 H 1 2.714 . . . . . . . . . . . 6130 1 467 . 1 1 40 40 ASN HA H 1 4.682 . . . . . . . . . . . 6130 1 468 . 1 1 40 40 ASN HB2 H 1 2.466 . . . . . . . . . . . 6130 1 469 . 1 1 40 40 ASN ND2 N 15 111.83 . . . . . . . . . . . 6130 1 470 . 1 1 40 40 ASN HD21 H 1 7.300 . . . . . . . . . . . 6130 1 471 . 1 1 40 40 ASN HD22 H 1 6.730 . . . . . . . . . . . 6130 1 472 . 1 1 41 41 GLN H H 1 7.543 . . . . . . . . . . . 6130 1 473 . 1 1 41 41 GLN N N 15 117.06 . . . . . . . . . . . 6130 1 474 . 1 1 41 41 GLN CA C 13 54.53 . . . . . . . . . . . 6130 1 475 . 1 1 41 41 GLN C C 13 172.01 . . . . . . . . . . . 6130 1 476 . 1 1 41 41 GLN CB C 13 23.91 . . . . . . . . . . . 6130 1 477 . 1 1 41 41 GLN HA H 1 3.518 . . . . . . . . . . . 6130 1 478 . 1 1 41 41 GLN HB2 H 1 2.242 . . . . . . . . . . . 6130 1 479 . 1 1 41 41 GLN CG C 13 32.30 . . . . . . . . . . . 6130 1 480 . 1 1 41 41 GLN HG2 H 1 2.219 . . . . . . . . . . . 6130 1 481 . 1 1 41 41 GLN HG3 H 1 2.298 . . . . . . . . . . . 6130 1 482 . 1 1 41 41 GLN NE2 N 15 111.52 . . . . . . . . . . . 6130 1 483 . 1 1 41 41 GLN HE21 H 1 7.676 . . . . . . . . . . . 6130 1 484 . 1 1 41 41 GLN HE22 H 1 6.597 . . . . . . . . . . . 6130 1 485 . 1 1 42 42 GLU H H 1 7.578 . . . . . . . . . . . 6130 1 486 . 1 1 42 42 GLU N N 15 114.91 . . . . . . . . . . . 6130 1 487 . 1 1 42 42 GLU CA C 13 52.26 . . . . . . . . . . . 6130 1 488 . 1 1 42 42 GLU C C 13 171.82 . . . . . . . . . . . 6130 1 489 . 1 1 42 42 GLU CB C 13 33.20 . . . . . . . . . . . 6130 1 490 . 1 1 42 42 GLU HB3 H 1 1.775 . . . . . . . . . . . 6130 1 491 . 1 1 42 42 GLU HA H 1 5.395 . . . . . . . . . . . 6130 1 492 . 1 1 42 42 GLU HB2 H 1 1.676 . . . . . . . . . . . 6130 1 493 . 1 1 42 42 GLU CG C 13 34.85 . . . . . . . . . . . 6130 1 494 . 1 1 42 42 GLU HG2 H 1 1.869 . . . . . . . . . . . 6130 1 495 . 1 1 42 42 GLU HG3 H 1 1.993 . . . . . . . . . . . 6130 1 496 . 1 1 43 43 ALA H H 1 9.343 . . . . . . . . . . . 6130 1 497 . 1 1 43 43 ALA N N 15 126.30 . . . . . . . . . . . 6130 1 498 . 1 1 43 43 ALA CA C 13 47.41 . . . . . . . . . . . 6130 1 499 . 1 1 43 43 ALA C C 13 172.80 . . . . . . . . . . . 6130 1 500 . 1 1 43 43 ALA CB C 13 19.27 . . . . . . . . . . . 6130 1 501 . 1 1 43 43 ALA HA H 1 5.161 . . . . . . . . . . . 6130 1 502 . 1 1 43 43 ALA HB1 H 1 1.043 . . . . . . . . . . . 6130 1 503 . 1 1 43 43 ALA HB2 H 1 1.043 . . . . . . . . . . . 6130 1 504 . 1 1 43 43 ALA HB3 H 1 1.043 . . . . . . . . . . . 6130 1 505 . 1 1 44 44 THR H H 1 8.925 . . . . . . . . . . . 6130 1 506 . 1 1 44 44 THR N N 15 119.82 . . . . . . . . . . . 6130 1 507 . 1 1 44 44 THR CA C 13 60.29 . . . . . . . . . . . 6130 1 508 . 1 1 44 44 THR C C 13 171.43 . . . . . . . . . . . 6130 1 509 . 1 1 44 44 THR CB C 13 67.09 . . . . . . . . . . . 6130 1 510 . 1 1 44 44 THR HA H 1 4.884 . . . . . . . . . . . 6130 1 511 . 1 1 44 44 THR HB H 1 3.927 . . . . . . . . . . . 6130 1 512 . 1 1 44 44 THR CG2 C 13 18.83 . . . . . . . . . . . 6130 1 513 . 1 1 44 44 THR HG21 H 1 0.987 . . . . . . . . . . . 6130 1 514 . 1 1 44 44 THR HG22 H 1 0.987 . . . . . . . . . . . 6130 1 515 . 1 1 44 44 THR HG23 H 1 0.987 . . . . . . . . . . . 6130 1 516 . 1 1 45 45 ILE H H 1 9.575 . . . . . . . . . . . 6130 1 517 . 1 1 45 45 ILE N N 15 128.73 . . . . . . . . . . . 6130 1 518 . 1 1 45 45 ILE CA C 13 58.05 . . . . . . . . . . . 6130 1 519 . 1 1 45 45 ILE C C 13 171.40 . . . . . . . . . . . 6130 1 520 . 1 1 45 45 ILE CB C 13 39.50 . . . . . . . . . . . 6130 1 521 . 1 1 45 45 ILE HA H 1 4.682 . . . . . . . . . . . 6130 1 522 . 1 1 45 45 ILE HB H 1 1.624 . . . . . . . . . . . 6130 1 523 . 1 1 45 45 ILE CG1 C 13 25.57 . . . . . . . . . . . 6130 1 524 . 1 1 45 45 ILE HG12 H 1 1.350 . . . . . . . . . . . 6130 1 525 . 1 1 45 45 ILE HG13 H 1 0.618 . . . . . . . . . . . 6130 1 526 . 1 1 45 45 ILE CG2 C 13 16.73 . . . . . . . . . . . 6130 1 527 . 1 1 45 45 ILE HG21 H 1 0.917 . . . . . . . . . . . 6130 1 528 . 1 1 45 45 ILE HG22 H 1 0.917 . . . . . . . . . . . 6130 1 529 . 1 1 45 45 ILE HG23 H 1 0.917 . . . . . . . . . . . 6130 1 530 . 1 1 45 45 ILE CD1 C 13 11.76 . . . . . . . . . . . 6130 1 531 . 1 1 45 45 ILE HD11 H 1 0.620 . . . . . . . . . . . 6130 1 532 . 1 1 45 45 ILE HD12 H 1 0.620 . . . . . . . . . . . 6130 1 533 . 1 1 45 45 ILE HD13 H 1 0.620 . . . . . . . . . . . 6130 1 534 . 1 1 46 46 VAL H H 1 8.936 . . . . . . . . . . . 6130 1 535 . 1 1 46 46 VAL N N 15 128.12 . . . . . . . . . . . 6130 1 536 . 1 1 46 46 VAL CA C 13 58.96 . . . . . . . . . . . 6130 1 537 . 1 1 46 46 VAL C C 13 173.35 . . . . . . . . . . . 6130 1 538 . 1 1 46 46 VAL CB C 13 29.96 . . . . . . . . . . . 6130 1 539 . 1 1 46 46 VAL HA H 1 5.161 . . . . . . . . . . . 6130 1 540 . 1 1 46 46 VAL HB H 1 1.860 . . . . . . . . . . . 6130 1 541 . 1 1 46 46 VAL CG1 C 13 18.41 . . . . . . . . . . . 6130 1 542 . 1 1 46 46 VAL HG11 H 1 0.873 . . . . . . . . . . . 6130 1 543 . 1 1 46 46 VAL HG12 H 1 0.873 . . . . . . . . . . . 6130 1 544 . 1 1 46 46 VAL HG13 H 1 0.873 . . . . . . . . . . . 6130 1 545 . 1 1 46 46 VAL CG2 C 13 19.01 . . . . . . . . . . . 6130 1 546 . 1 1 46 46 VAL HG21 H 1 0.793 . . . . . . . . . . . 6130 1 547 . 1 1 46 46 VAL HG22 H 1 0.793 . . . . . . . . . . . 6130 1 548 . 1 1 46 46 VAL HG23 H 1 0.793 . . . . . . . . . . . 6130 1 549 . 1 1 47 47 TYR H H 1 9.289 . . . . . . . . . . . 6130 1 550 . 1 1 47 47 TYR N N 15 125.97 . . . . . . . . . . . 6130 1 551 . 1 1 47 47 TYR CA C 13 52.53 . . . . . . . . . . . 6130 1 552 . 1 1 47 47 TYR C C 13 169.69 . . . . . . . . . . . 6130 1 553 . 1 1 47 47 TYR CB C 13 39.42 . . . . . . . . . . . 6130 1 554 . 1 1 47 47 TYR HB3 H 1 2.698 . . . . . . . . . . . 6130 1 555 . 1 1 47 47 TYR HA H 1 5.622 . . . . . . . . . . . 6130 1 556 . 1 1 47 47 TYR HB2 H 1 2.609 . . . . . . . . . . . 6130 1 557 . 1 1 47 47 TYR HD1 H 1 6.805 . . . . . . . . . . . 6130 1 558 . 1 1 47 47 TYR HD2 H 1 6.805 . . . . . . . . . . . 6130 1 559 . 1 1 47 47 TYR HE1 H 1 6.564 . . . . . . . . . . . 6130 1 560 . 1 1 47 47 TYR HE2 H 1 6.564 . . . . . . . . . . . 6130 1 561 . 1 1 48 48 GLN H H 1 8.597 . . . . . . . . . . . 6130 1 562 . 1 1 48 48 GLN N N 15 118.59 . . . . . . . . . . . 6130 1 563 . 1 1 48 48 GLN CA C 13 49.52 . . . . . . . . . . . 6130 1 564 . 1 1 48 48 GLN C C 13 172.97 . . . . . . . . . . . 6130 1 565 . 1 1 48 48 GLN CB C 13 27.42 . . . . . . . . . . . 6130 1 566 . 1 1 48 48 GLN HB3 H 1 2.057 . . . . . . . . . . . 6130 1 567 . 1 1 48 48 GLN HA H 1 4.996 . . . . . . . . . . . 6130 1 568 . 1 1 48 48 GLN HB2 H 1 1.976 . . . . . . . . . . . 6130 1 569 . 1 1 48 48 GLN CG C 13 31.49 . . . . . . . . . . . 6130 1 570 . 1 1 48 48 GLN HG2 H 1 2.313 . . . . . . . . . . . 6130 1 571 . 1 1 48 48 GLN HG3 H 1 2.228 . . . . . . . . . . . 6130 1 572 . 1 1 48 48 GLN NE2 N 15 110.602 . . . . . . . . . . . 6130 1 573 . 1 1 48 48 GLN HE21 H 1 7.409 . . . . . . . . . . . 6130 1 574 . 1 1 48 48 GLN HE22 H 1 6.680 . . . . . . . . . . . 6130 1 575 . 1 1 49 49 PRO CA C 13 61.50 . . . . . . . . . . . 6130 1 576 . 1 1 49 49 PRO C C 13 174.20 . . . . . . . . . . . 6130 1 577 . 1 1 49 49 PRO CB C 13 29.89 . . . . . . . . . . . 6130 1 578 . 1 1 49 49 PRO HB3 H 1 2.305 . . . . . . . . . . . 6130 1 579 . 1 1 49 49 PRO HB2 H 1 2.078 . . . . . . . . . . . 6130 1 580 . 1 1 49 49 PRO HD2 H 1 4.041 . . . . . . . . . . . 6130 1 581 . 1 1 49 49 PRO HD3 H 1 3.507 . . . . . . . . . . . 6130 1 582 . 1 1 49 49 PRO CG C 13 24.75 . . . . . . . . . . . 6130 1 583 . 1 1 49 49 PRO HG2 H 1 1.968 . . . . . . . . . . . 6130 1 584 . 1 1 49 49 PRO HG3 H 1 1.744 . . . . . . . . . . . 6130 1 585 . 1 1 50 50 HIS H H 1 8.239 . . . . . . . . . . . 6130 1 586 . 1 1 50 50 HIS N N 15 113.98 . . . . . . . . . . . 6130 1 587 . 1 1 50 50 HIS CA C 13 54.91 . . . . . . . . . . . 6130 1 588 . 1 1 50 50 HIS C C 13 172.80 . . . . . . . . . . . 6130 1 589 . 1 1 50 50 HIS CB C 13 26.94 . . . . . . . . . . . 6130 1 590 . 1 1 50 50 HIS HB3 H 1 3.207 . . . . . . . . . . . 6130 1 591 . 1 1 50 50 HIS HA H 1 4.551 . . . . . . . . . . . 6130 1 592 . 1 1 50 50 HIS HB2 H 1 2.889 . . . . . . . . . . . 6130 1 593 . 1 1 50 50 HIS HD2 H 1 6.893 . . . . . . . . . . . 6130 1 594 . 1 1 51 51 LEU H H 1 7.554 . . . . . . . . . . . 6130 1 595 . 1 1 51 51 LEU N N 15 119.51 . . . . . . . . . . . 6130 1 596 . 1 1 51 51 LEU CA C 13 52.46 . . . . . . . . . . . 6130 1 597 . 1 1 51 51 LEU C C 13 173.03 . . . . . . . . . . . 6130 1 598 . 1 1 51 51 LEU CB C 13 42.88 . . . . . . . . . . . 6130 1 599 . 1 1 51 51 LEU HB3 H 1 1.534 . . . . . . . . . . . 6130 1 600 . 1 1 51 51 LEU HA H 1 4.304 . . . . . . . . . . . 6130 1 601 . 1 1 51 51 LEU HB2 H 1 1.091 . . . . . . . . . . . 6130 1 602 . 1 1 51 51 LEU CD1 C 13 22.89 . . . . . . . . . . . 6130 1 603 . 1 1 51 51 LEU HD11 H 1 0.670 . . . . . . . . . . . 6130 1 604 . 1 1 51 51 LEU HD12 H 1 0.670 . . . . . . . . . . . 6130 1 605 . 1 1 51 51 LEU HD13 H 1 0.670 . . . . . . . . . . . 6130 1 606 . 1 1 51 51 LEU CD2 C 13 23.53 . . . . . . . . . . . 6130 1 607 . 1 1 51 51 LEU HD21 H 1 0.309 . . . . . . . . . . . 6130 1 608 . 1 1 51 51 LEU HD22 H 1 0.309 . . . . . . . . . . . 6130 1 609 . 1 1 51 51 LEU HD23 H 1 0.309 . . . . . . . . . . . 6130 1 610 . 1 1 51 51 LEU CG C 13 20.30 . . . . . . . . . . . 6130 1 611 . 1 1 51 51 LEU HG H 1 0.652 . . . . . . . . . . . 6130 1 612 . 1 1 52 52 ILE H H 1 7.748 . . . . . . . . . . . 6130 1 613 . 1 1 52 52 ILE N N 15 119.21 . . . . . . . . . . . 6130 1 614 . 1 1 52 52 ILE CA C 13 57.98 . . . . . . . . . . . 6130 1 615 . 1 1 52 52 ILE C C 13 167.70 . . . . . . . . . . . 6130 1 616 . 1 1 52 52 ILE CB C 13 37.75 . . . . . . . . . . . 6130 1 617 . 1 1 52 52 ILE HA H 1 4.384 . . . . . . . . . . . 6130 1 618 . 1 1 52 52 ILE HB H 1 2.091 . . . . . . . . . . . 6130 1 619 . 1 1 52 52 ILE CG1 C 13 27.25 . . . . . . . . . . . 6130 1 620 . 1 1 52 52 ILE HG12 H 1 1.541 . . . . . . . . . . . 6130 1 621 . 1 1 52 52 ILE HG13 H 1 1.274 . . . . . . . . . . . 6130 1 622 . 1 1 52 52 ILE CG2 C 13 13.53 . . . . . . . . . . . 6130 1 623 . 1 1 52 52 ILE HG21 H 1 0.730 . . . . . . . . . . . 6130 1 624 . 1 1 52 52 ILE HG22 H 1 0.730 . . . . . . . . . . . 6130 1 625 . 1 1 52 52 ILE HG23 H 1 0.730 . . . . . . . . . . . 6130 1 626 . 1 1 52 52 ILE CD1 C 13 12.88 . . . . . . . . . . . 6130 1 627 . 1 1 52 52 ILE HD11 H 1 0.765 . . . . . . . . . . . 6130 1 628 . 1 1 52 52 ILE HD12 H 1 0.765 . . . . . . . . . . . 6130 1 629 . 1 1 52 52 ILE HD13 H 1 0.765 . . . . . . . . . . . 6130 1 630 . 1 1 53 53 SER H H 1 7.394 . . . . . . . . . . . 6130 1 631 . 1 1 53 53 SER N N 15 116.44 . . . . . . . . . . . 6130 1 632 . 1 1 53 53 SER CA C 13 53.05 . . . . . . . . . . . 6130 1 633 . 1 1 53 53 SER C C 13 172.77 . . . . . . . . . . . 6130 1 634 . 1 1 53 53 SER CB C 13 65.06 . . . . . . . . . . . 6130 1 635 . 1 1 53 53 SER HB3 H 1 4.308 . . . . . . . . . . . 6130 1 636 . 1 1 53 53 SER HA H 1 4.977 . . . . . . . . . . . 6130 1 637 . 1 1 53 53 SER HB2 H 1 3.905 . . . . . . . . . . . 6130 1 638 . 1 1 54 54 VAL H H 1 8.330 . . . . . . . . . . . 6130 1 639 . 1 1 54 54 VAL N N 15 120.44 . . . . . . . . . . . 6130 1 640 . 1 1 54 54 VAL CA C 13 64.32 . . . . . . . . . . . 6130 1 641 . 1 1 54 54 VAL C C 13 174.72 . . . . . . . . . . . 6130 1 642 . 1 1 54 54 VAL CB C 13 29.11 . . . . . . . . . . . 6130 1 643 . 1 1 54 54 VAL HA H 1 3.104 . . . . . . . . . . . 6130 1 644 . 1 1 54 54 VAL HB H 1 1.866 . . . . . . . . . . . 6130 1 645 . 1 1 54 54 VAL CG1 C 13 21.40 . . . . . . . . . . . 6130 1 646 . 1 1 54 54 VAL HG11 H 1 0.956 . . . . . . . . . . . 6130 1 647 . 1 1 54 54 VAL HG12 H 1 0.956 . . . . . . . . . . . 6130 1 648 . 1 1 54 54 VAL HG13 H 1 0.956 . . . . . . . . . . . 6130 1 649 . 1 1 54 54 VAL CG2 C 13 19.14 . . . . . . . . . . . 6130 1 650 . 1 1 54 54 VAL HG21 H 1 0.771 . . . . . . . . . . . 6130 1 651 . 1 1 54 54 VAL HG22 H 1 0.771 . . . . . . . . . . . 6130 1 652 . 1 1 54 54 VAL HG23 H 1 0.771 . . . . . . . . . . . 6130 1 653 . 1 1 55 55 GLU H H 1 8.504 . . . . . . . . . . . 6130 1 654 . 1 1 55 55 GLU N N 15 117.36 . . . . . . . . . . . 6130 1 655 . 1 1 55 55 GLU CA C 13 57.91 . . . . . . . . . . . 6130 1 656 . 1 1 55 55 GLU C C 13 176.24 . . . . . . . . . . . 6130 1 657 . 1 1 55 55 GLU CB C 13 26.39 . . . . . . . . . . . 6130 1 658 . 1 1 55 55 GLU HB3 H 1 1.995 . . . . . . . . . . . 6130 1 659 . 1 1 55 55 GLU HA H 1 3.714 . . . . . . . . . . . 6130 1 660 . 1 1 55 55 GLU HB2 H 1 1.828 . . . . . . . . . . . 6130 1 661 . 1 1 55 55 GLU CG C 13 34.49 . . . . . . . . . . . 6130 1 662 . 1 1 55 55 GLU HG2 H 1 2.346 . . . . . . . . . . . 6130 1 663 . 1 1 55 55 GLU HG3 H 1 2.182 . . . . . . . . . . . 6130 1 664 . 1 1 56 56 GLU H H 1 7.691 . . . . . . . . . . . 6130 1 665 . 1 1 56 56 GLU N N 15 119.51 . . . . . . . . . . . 6130 1 666 . 1 1 56 56 GLU CA C 13 56.55 . . . . . . . . . . . 6130 1 667 . 1 1 56 56 GLU C C 13 176.04 . . . . . . . . . . . 6130 1 668 . 1 1 56 56 GLU CB C 13 27.37 . . . . . . . . . . . 6130 1 669 . 1 1 56 56 GLU HB3 H 1 2.095 . . . . . . . . . . . 6130 1 670 . 1 1 56 56 GLU HA H 1 3.939 . . . . . . . . . . . 6130 1 671 . 1 1 56 56 GLU HB2 H 1 1.886 . . . . . . . . . . . 6130 1 672 . 1 1 56 56 GLU CG C 13 33.58 . . . . . . . . . . . 6130 1 673 . 1 1 56 56 GLU HG2 H 1 2.334 . . . . . . . . . . . 6130 1 674 . 1 1 56 56 GLU HG3 H 1 2.066 . . . . . . . . . . . 6130 1 675 . 1 1 57 57 MET H H 1 7.408 . . . . . . . . . . . 6130 1 676 . 1 1 57 57 MET N N 15 117.36 . . . . . . . . . . . 6130 1 677 . 1 1 57 57 MET CA C 13 58.40 . . . . . . . . . . . 6130 1 678 . 1 1 57 57 MET C C 13 174.51 . . . . . . . . . . . 6130 1 679 . 1 1 57 57 MET CB C 13 30.89 . . . . . . . . . . . 6130 1 680 . 1 1 57 57 MET HB3 H 1 1.770 . . . . . . . . . . . 6130 1 681 . 1 1 57 57 MET HA H 1 3.480 . . . . . . . . . . . 6130 1 682 . 1 1 57 57 MET HB2 H 1 1.397 . . . . . . . . . . . 6130 1 683 . 1 1 57 57 MET CG C 13 30.44 . . . . . . . . . . . 6130 1 684 . 1 1 57 57 MET HG2 H 1 2.368 . . . . . . . . . . . 6130 1 685 . 1 1 57 57 MET HG3 H 1 1.779 . . . . . . . . . . . 6130 1 686 . 1 1 58 58 LYS H H 1 8.316 . . . . . . . . . . . 6130 1 687 . 1 1 58 58 LYS N N 15 117.98 . . . . . . . . . . . 6130 1 688 . 1 1 58 58 LYS CA C 13 58.03 . . . . . . . . . . . 6130 1 689 . 1 1 58 58 LYS C C 13 174.86 . . . . . . . . . . . 6130 1 690 . 1 1 58 58 LYS CB C 13 31.00 . . . . . . . . . . . 6130 1 691 . 1 1 58 58 LYS HB3 H 1 1.802 . . . . . . . . . . . 6130 1 692 . 1 1 58 58 LYS HA H 1 3.442 . . . . . . . . . . . 6130 1 693 . 1 1 58 58 LYS HB2 H 1 1.455 . . . . . . . . . . . 6130 1 694 . 1 1 58 58 LYS CD C 13 27.72 . . . . . . . . . . . 6130 1 695 . 1 1 58 58 LYS HD2 H 1 1.451 . . . . . . . . . . . 6130 1 696 . 1 1 58 58 LYS CG C 13 22.35 . . . . . . . . . . . 6130 1 697 . 1 1 58 58 LYS HG2 H 1 1.213 . . . . . . . . . . . 6130 1 698 . 1 1 58 58 LYS HG3 H 1 1.144 . . . . . . . . . . . 6130 1 699 . 1 1 58 58 LYS CE C 13 39.56 . . . . . . . . . . . 6130 1 700 . 1 1 58 58 LYS HE2 H 1 2.948 . . . . . . . . . . . 6130 1 701 . 1 1 59 59 LYS H H 1 7.934 . . . . . . . . . . . 6130 1 702 . 1 1 59 59 LYS N N 15 117.06 . . . . . . . . . . . 6130 1 703 . 1 1 59 59 LYS CA C 13 56.92 . . . . . . . . . . . 6130 1 704 . 1 1 59 59 LYS C C 13 177.29 . . . . . . . . . . . 6130 1 705 . 1 1 59 59 LYS CB C 13 29.93 . . . . . . . . . . . 6130 1 706 . 1 1 59 59 LYS HB3 H 1 1.866 . . . . . . . . . . . 6130 1 707 . 1 1 59 59 LYS HA H 1 3.960 . . . . . . . . . . . 6130 1 708 . 1 1 59 59 LYS HB2 H 1 1.806 . . . . . . . . . . . 6130 1 709 . 1 1 59 59 LYS CD C 13 26.98 . . . . . . . . . . . 6130 1 710 . 1 1 59 59 LYS HD2 H 1 1.595 . . . . . . . . . . . 6130 1 711 . 1 1 59 59 LYS CG C 13 22.57 . . . . . . . . . . . 6130 1 712 . 1 1 59 59 LYS HG2 H 1 1.504 . . . . . . . . . . . 6130 1 713 . 1 1 59 59 LYS HG3 H 1 1.306 . . . . . . . . . . . 6130 1 714 . 1 1 59 59 LYS CE C 13 39.60 . . . . . . . . . . . 6130 1 715 . 1 1 59 59 LYS HE2 H 1 2.851 . . . . . . . . . . . 6130 1 716 . 1 1 60 60 GLN H H 1 7.859 . . . . . . . . . . . 6130 1 717 . 1 1 60 60 GLN N N 15 117.06 . . . . . . . . . . . 6130 1 718 . 1 1 60 60 GLN CA C 13 56.38 . . . . . . . . . . . 6130 1 719 . 1 1 60 60 GLN C C 13 176.07 . . . . . . . . . . . 6130 1 720 . 1 1 60 60 GLN CB C 13 24.95 . . . . . . . . . . . 6130 1 721 . 1 1 60 60 GLN HB3 H 1 1.992 . . . . . . . . . . . 6130 1 722 . 1 1 60 60 GLN HA H 1 3.920 . . . . . . . . . . . 6130 1 723 . 1 1 60 60 GLN HB2 H 1 1.851 . . . . . . . . . . . 6130 1 724 . 1 1 60 60 GLN CG C 13 30.98 . . . . . . . . . . . 6130 1 725 . 1 1 60 60 GLN HG2 H 1 2.250 . . . . . . . . . . . 6130 1 726 . 1 1 60 60 GLN HG3 H 1 2.298 . . . . . . . . . . . 6130 1 727 . 1 1 60 60 GLN NE2 N 15 111.19 . . . . . . . . . . . 6130 1 728 . 1 1 60 60 GLN HE21 H 1 7.240 . . . . . . . . . . . 6130 1 729 . 1 1 60 60 GLN HE22 H 1 6.726 . . . . . . . . . . . 6130 1 730 . 1 1 61 61 ILE H H 1 7.737 . . . . . . . . . . . 6130 1 731 . 1 1 61 61 ILE N N 15 120.74 . . . . . . . . . . . 6130 1 732 . 1 1 61 61 ILE CA C 13 64.15 . . . . . . . . . . . 6130 1 733 . 1 1 61 61 ILE C C 13 175.73 . . . . . . . . . . . 6130 1 734 . 1 1 61 61 ILE CB C 13 36.25 . . . . . . . . . . . 6130 1 735 . 1 1 61 61 ILE HA H 1 3.620 . . . . . . . . . . . 6130 1 736 . 1 1 61 61 ILE HB H 1 1.702 . . . . . . . . . . . 6130 1 737 . 1 1 61 61 ILE CG1 C 13 27.97 . . . . . . . . . . . 6130 1 738 . 1 1 61 61 ILE HG12 H 1 1.850 . . . . . . . . . . . 6130 1 739 . 1 1 61 61 ILE HG13 H 1 0.529 . . . . . . . . . . . 6130 1 740 . 1 1 61 61 ILE CG2 C 13 15.65 . . . . . . . . . . . 6130 1 741 . 1 1 61 61 ILE HG21 H 1 1.059 . . . . . . . . . . . 6130 1 742 . 1 1 61 61 ILE HG22 H 1 1.059 . . . . . . . . . . . 6130 1 743 . 1 1 61 61 ILE HG23 H 1 1.059 . . . . . . . . . . . 6130 1 744 . 1 1 61 61 ILE CD1 C 13 10.80 . . . . . . . . . . . 6130 1 745 . 1 1 61 61 ILE HD11 H 1 0.479 . . . . . . . . . . . 6130 1 746 . 1 1 61 61 ILE HD12 H 1 0.479 . . . . . . . . . . . 6130 1 747 . 1 1 61 61 ILE HD13 H 1 0.479 . . . . . . . . . . . 6130 1 748 . 1 1 62 62 GLU H H 1 8.363 . . . . . . . . . . . 6130 1 749 . 1 1 62 62 GLU N N 15 118.90 . . . . . . . . . . . 6130 1 750 . 1 1 62 62 GLU CA C 13 56.84 . . . . . . . . . . . 6130 1 751 . 1 1 62 62 GLU C C 13 179.21 . . . . . . . . . . . 6130 1 752 . 1 1 62 62 GLU CB C 13 26.43 . . . . . . . . . . . 6130 1 753 . 1 1 62 62 GLU HB3 H 1 1.998 . . . . . . . . . . . 6130 1 754 . 1 1 62 62 GLU HA H 1 4.101 . . . . . . . . . . . 6130 1 755 . 1 1 62 62 GLU HB2 H 1 1.764 . . . . . . . . . . . 6130 1 756 . 1 1 62 62 GLU CG C 13 34.91 . . . . . . . . . . . 6130 1 757 . 1 1 62 62 GLU HG2 H 1 2.595 . . . . . . . . . . . 6130 1 758 . 1 1 62 62 GLU HG3 H 1 2.475 . . . . . . . . . . . 6130 1 759 . 1 1 63 63 ALA H H 1 8.156 . . . . . . . . . . . 6130 1 760 . 1 1 63 63 ALA N N 15 121.97 . . . . . . . . . . . 6130 1 761 . 1 1 63 63 ALA CA C 13 51.82 . . . . . . . . . . . 6130 1 762 . 1 1 63 63 ALA C C 13 176.61 . . . . . . . . . . . 6130 1 763 . 1 1 63 63 ALA CB C 13 15.58 . . . . . . . . . . . 6130 1 764 . 1 1 63 63 ALA HA H 1 4.049 . . . . . . . . . . . 6130 1 765 . 1 1 63 63 ALA HB1 H 1 1.414 . . . . . . . . . . . 6130 1 766 . 1 1 63 63 ALA HB2 H 1 1.414 . . . . . . . . . . . 6130 1 767 . 1 1 63 63 ALA HB3 H 1 1.414 . . . . . . . . . . . 6130 1 768 . 1 1 64 64 MET H H 1 7.438 . . . . . . . . . . . 6130 1 769 . 1 1 64 64 MET N N 15 114.60 . . . . . . . . . . . 6130 1 770 . 1 1 64 64 MET CA C 13 54.15 . . . . . . . . . . . 6130 1 771 . 1 1 64 64 MET C C 13 172.66 . . . . . . . . . . . 6130 1 772 . 1 1 64 64 MET CB C 13 31.64 . . . . . . . . . . . 6130 1 773 . 1 1 64 64 MET HB3 H 1 2.562 . . . . . . . . . . . 6130 1 774 . 1 1 64 64 MET HA H 1 4.139 . . . . . . . . . . . 6130 1 775 . 1 1 64 64 MET HB2 H 1 2.373 . . . . . . . . . . . 6130 1 776 . 1 1 64 64 MET CG C 13 30.30 . . . . . . . . . . . 6130 1 777 . 1 1 64 64 MET HG2 H 1 2.865 . . . . . . . . . . . 6130 1 778 . 1 1 64 64 MET HG3 H 1 2.546 . . . . . . . . . . . 6130 1 779 . 1 1 64 64 MET HE1 H 1 2.085 . . . . . . . . . . . 6130 1 780 . 1 1 64 64 MET HE2 H 1 2.085 . . . . . . . . . . . 6130 1 781 . 1 1 64 64 MET HE3 H 1 2.085 . . . . . . . . . . . 6130 1 782 . 1 1 65 65 GLY N N 15 103.84 . . . . . . . . . . . 6130 1 783 . 1 1 65 65 GLY C C 13 170.10 . . . . . . . . . . . 6130 1 784 . 1 1 65 65 GLY H H 1 7.721 . . . . . . . . . . . 6130 1 785 . 1 1 65 65 GLY CA C 13 41.74 . . . . . . . . . . . 6130 1 786 . 1 1 65 65 GLY HA2 H 1 3.305 . . . . . . . . . . . 6130 1 787 . 1 1 65 65 GLY HA3 H 1 3.788 . . . . . . . . . . . 6130 1 788 . 1 1 66 66 PHE H H 1 6.667 . . . . . . . . . . . 6130 1 789 . 1 1 66 66 PHE N N 15 120.44 . . . . . . . . . . . 6130 1 790 . 1 1 66 66 PHE CA C 13 52.04 . . . . . . . . . . . 6130 1 791 . 1 1 66 66 PHE C C 13 168.98 . . . . . . . . . . . 6130 1 792 . 1 1 66 66 PHE CB C 13 37.68 . . . . . . . . . . . 6130 1 793 . 1 1 66 66 PHE HB3 H 1 3.246 . . . . . . . . . . . 6130 1 794 . 1 1 66 66 PHE HA H 1 5.056 . . . . . . . . . . . 6130 1 795 . 1 1 66 66 PHE HB2 H 1 2.557 . . . . . . . . . . . 6130 1 796 . 1 1 66 66 PHE HE1 H 1 7.148 . . . . . . . . . . . 6130 1 797 . 1 1 66 66 PHE HE2 H 1 7.148 . . . . . . . . . . . 6130 1 798 . 1 1 66 66 PHE HD1 H 1 7.174 . . . . . . . . . . . 6130 1 799 . 1 1 66 66 PHE HD2 H 1 7.174 . . . . . . . . . . . 6130 1 800 . 1 1 67 67 PRO CA C 13 61.07 . . . . . . . . . . . 6130 1 801 . 1 1 67 67 PRO C C 13 172.11 . . . . . . . . . . . 6130 1 802 . 1 1 67 67 PRO CB C 13 29.94 . . . . . . . . . . . 6130 1 803 . 1 1 67 67 PRO HB3 H 1 2.204 . . . . . . . . . . . 6130 1 804 . 1 1 67 67 PRO HA H 1 4.125 . . . . . . . . . . . 6130 1 805 . 1 1 67 67 PRO HB2 H 1 1.797 . . . . . . . . . . . 6130 1 806 . 1 1 67 67 PRO HD2 H 1 3.821 . . . . . . . . . . . 6130 1 807 . 1 1 67 67 PRO HD3 H 1 3.518 . . . . . . . . . . . 6130 1 808 . 1 1 67 67 PRO CG C 13 25.41 . . . . . . . . . . . 6130 1 809 . 1 1 67 67 PRO HG2 H 1 2.030 . . . . . . . . . . . 6130 1 810 . 1 1 67 67 PRO HG3 H 1 1.781 . . . . . . . . . . . 6130 1 811 . 1 1 68 68 ALA H H 1 7.968 . . . . . . . . . . . 6130 1 812 . 1 1 68 68 ALA N N 15 123.82 . . . . . . . . . . . 6130 1 813 . 1 1 68 68 ALA CA C 13 47.83 . . . . . . . . . . . 6130 1 814 . 1 1 68 68 ALA C C 13 173.41 . . . . . . . . . . . 6130 1 815 . 1 1 68 68 ALA CB C 13 20.10 . . . . . . . . . . . 6130 1 816 . 1 1 68 68 ALA HA H 1 5.452 . . . . . . . . . . . 6130 1 817 . 1 1 68 68 ALA HB1 H 1 1.217 . . . . . . . . . . . 6130 1 818 . 1 1 68 68 ALA HB2 H 1 1.217 . . . . . . . . . . . 6130 1 819 . 1 1 68 68 ALA HB3 H 1 1.217 . . . . . . . . . . . 6130 1 820 . 1 1 69 69 PHE H H 1 8.596 . . . . . . . . . . . 6130 1 821 . 1 1 69 69 PHE N N 15 116.13 . . . . . . . . . . . 6130 1 822 . 1 1 69 69 PHE CA C 13 53.68 . . . . . . . . . . . 6130 1 823 . 1 1 69 69 PHE C C 13 172.56 . . . . . . . . . . . 6130 1 824 . 1 1 69 69 PHE CB C 13 39.90 . . . . . . . . . . . 6130 1 825 . 1 1 69 69 PHE HB3 H 1 3.061 . . . . . . . . . . . 6130 1 826 . 1 1 69 69 PHE HA H 1 4.683 . . . . . . . . . . . 6130 1 827 . 1 1 69 69 PHE HB2 H 1 2.746 . . . . . . . . . . . 6130 1 828 . 1 1 69 69 PHE HE1 H 1 7.194 . . . . . . . . . . . 6130 1 829 . 1 1 69 69 PHE HE2 H 1 7.194 . . . . . . . . . . . 6130 1 830 . 1 1 69 69 PHE HD1 H 1 7.041 . . . . . . . . . . . 6130 1 831 . 1 1 69 69 PHE HD2 H 1 7.041 . . . . . . . . . . . 6130 1 832 . 1 1 69 69 PHE HZ H 1 7.391 . . . . . . . . . . . 6130 1 833 . 1 1 70 70 VAL H H 1 8.953 . . . . . . . . . . . 6130 1 834 . 1 1 70 70 VAL N N 15 125.05 . . . . . . . . . . . 6130 1 835 . 1 1 70 70 VAL CA C 13 62.49 . . . . . . . . . . . 6130 1 836 . 1 1 70 70 VAL C C 13 173.14 . . . . . . . . . . . 6130 1 837 . 1 1 70 70 VAL CB C 13 29.75 . . . . . . . . . . . 6130 1 838 . 1 1 70 70 VAL HA H 1 3.694 . . . . . . . . . . . 6130 1 839 . 1 1 70 70 VAL HB H 1 1.972 . . . . . . . . . . . 6130 1 840 . 1 1 70 70 VAL CG1 C 13 19.92 . . . . . . . . . . . 6130 1 841 . 1 1 70 70 VAL HG11 H 1 0.878 . . . . . . . . . . . 6130 1 842 . 1 1 70 70 VAL HG12 H 1 0.878 . . . . . . . . . . . 6130 1 843 . 1 1 70 70 VAL HG13 H 1 0.878 . . . . . . . . . . . 6130 1 844 . 1 1 70 70 VAL CG2 C 13 18.56 . . . . . . . . . . . 6130 1 845 . 1 1 70 70 VAL HG21 H 1 0.831 . . . . . . . . . . . 6130 1 846 . 1 1 70 70 VAL HG22 H 1 0.831 . . . . . . . . . . . 6130 1 847 . 1 1 70 70 VAL HG23 H 1 0.831 . . . . . . . . . . . 6130 1 848 . 1 1 71 71 LYS H H 1 8.701 . . . . . . . . . . . 6130 1 849 . 1 1 71 71 LYS N N 15 127.81 . . . . . . . . . . . 6130 1 850 . 1 1 71 71 LYS CA C 13 54.71 . . . . . . . . . . . 6130 1 851 . 1 1 71 71 LYS C C 13 173.37 . . . . . . . . . . . 6130 1 852 . 1 1 71 71 LYS CB C 13 31.20 . . . . . . . . . . . 6130 1 853 . 1 1 71 71 LYS HB3 H 1 1.725 . . . . . . . . . . . 6130 1 854 . 1 1 71 71 LYS HA H 1 4.401 . . . . . . . . . . . 6130 1 855 . 1 1 71 71 LYS HB2 H 1 1.538 . . . . . . . . . . . 6130 1 856 . 1 1 71 71 LYS CD C 13 27.12 . . . . . . . . . . . 6130 1 857 . 1 1 71 71 LYS HD2 H 1 1.539 . . . . . . . . . . . 6130 1 858 . 1 1 71 71 LYS CG C 13 22.79 . . . . . . . . . . . 6130 1 859 . 1 1 71 71 LYS HG2 H 1 1.479 . . . . . . . . . . . 6130 1 860 . 1 1 71 71 LYS HG3 H 1 1.331 . . . . . . . . . . . 6130 1 861 . 1 1 71 71 LYS CE C 13 39.45 . . . . . . . . . . . 6130 1 862 . 1 1 71 71 LYS HE2 H 1 2.832 . . . . . . . . . . . 6130 1 863 . 1 1 72 72 LYS H H 1 7.967 . . . . . . . . . . . 6130 1 864 . 1 1 72 72 LYS N N 15 119.21 . . . . . . . . . . . 6130 1 865 . 1 1 72 72 LYS CA C 13 53.75 . . . . . . . . . . . 6130 1 866 . 1 1 72 72 LYS C C 13 171.92 . . . . . . . . . . . 6130 1 867 . 1 1 72 72 LYS CB C 13 32.67 . . . . . . . . . . . 6130 1 868 . 1 1 72 72 LYS HA H 1 4.375 . . . . . . . . . . . 6130 1 869 . 1 1 72 72 LYS HB2 H 1 1.724 . . . . . . . . . . . 6130 1 870 . 1 1 72 72 LYS CD C 13 26.85 . . . . . . . . . . . 6130 1 871 . 1 1 72 72 LYS HD2 H 1 1.624 . . . . . . . . . . . 6130 1 872 . 1 1 72 72 LYS CG C 13 22.41 . . . . . . . . . . . 6130 1 873 . 1 1 72 72 LYS HG2 H 1 1.323 . . . . . . . . . . . 6130 1 874 . 1 1 72 72 LYS CE C 13 39.74 . . . . . . . . . . . 6130 1 875 . 1 1 72 72 LYS HE2 H 1 2.899 . . . . . . . . . . . 6130 1 876 . 1 1 73 73 ILE H H 1 8.365 . . . . . . . . . . . 6130 1 877 . 1 1 73 73 ILE N N 15 123.82 . . . . . . . . . . . 6130 1 878 . 1 1 73 73 ILE CA C 13 58.77 . . . . . . . . . . . 6130 1 879 . 1 1 73 73 ILE C C 13 173.20 . . . . . . . . . . . 6130 1 880 . 1 1 73 73 ILE CB C 13 37.34 . . . . . . . . . . . 6130 1 881 . 1 1 73 73 ILE HA H 1 4.531 . . . . . . . . . . . 6130 1 882 . 1 1 73 73 ILE HB H 1 1.686 . . . . . . . . . . . 6130 1 883 . 1 1 73 73 ILE CG1 C 13 25.58 . . . . . . . . . . . 6130 1 884 . 1 1 73 73 ILE HG12 H 1 1.471 . . . . . . . . . . . 6130 1 885 . 1 1 73 73 ILE HG13 H 1 1.050 . . . . . . . . . . . 6130 1 886 . 1 1 73 73 ILE CG2 C 13 15.40 . . . . . . . . . . . 6130 1 887 . 1 1 73 73 ILE HG21 H 1 0.851 . . . . . . . . . . . 6130 1 888 . 1 1 73 73 ILE HG22 H 1 0.851 . . . . . . . . . . . 6130 1 889 . 1 1 73 73 ILE HG23 H 1 0.851 . . . . . . . . . . . 6130 1 890 . 1 1 73 73 ILE CD1 C 13 11.39 . . . . . . . . . . . 6130 1 891 . 1 1 73 73 ILE HD11 H 1 0.875 . . . . . . . . . . . 6130 1 892 . 1 1 73 73 ILE HD12 H 1 0.875 . . . . . . . . . . . 6130 1 893 . 1 1 73 73 ILE HD13 H 1 0.875 . . . . . . . . . . . 6130 1 894 . 1 1 74 74 GLU H H 1 8.924 . . . . . . . . . . . 6130 1 895 . 1 1 74 74 GLU N N 15 125.97 . . . . . . . . . . . 6130 1 896 . 1 1 74 74 GLU CA C 13 53.47 . . . . . . . . . . . 6130 1 897 . 1 1 74 74 GLU C C 13 173.23 . . . . . . . . . . . 6130 1 898 . 1 1 74 74 GLU CB C 13 29.44 . . . . . . . . . . . 6130 1 899 . 1 1 74 74 GLU HB3 H 1 1.994 . . . . . . . . . . . 6130 1 900 . 1 1 74 74 GLU HA H 1 4.465 . . . . . . . . . . . 6130 1 901 . 1 1 74 74 GLU HB2 H 1 1.890 . . . . . . . . . . . 6130 1 902 . 1 1 74 74 GLU CG C 13 33.91 . . . . . . . . . . . 6130 1 903 . 1 1 74 74 GLU HG2 H 1 2.159 . . . . . . . . . . . 6130 1 904 . 1 1 75 75 GLY H H 1 8.486 . . . . . . . . . . . 6130 1 905 . 1 1 75 75 GLY N N 15 110.60 . . . . . . . . . . . 6130 1 906 . 1 1 75 75 GLY CA C 13 42.83 . . . . . . . . . . . 6130 1 907 . 1 1 75 75 GLY C C 13 170.47 . . . . . . . . . . . 6130 1 908 . 1 1 75 75 GLY HA2 H 1 3.881 . . . . . . . . . . . 6130 1 909 . 1 1 75 75 GLY HA3 H 1 4.028 . . . . . . . . . . . 6130 1 910 . 1 1 76 76 ARG H H 1 7.760 . . . . . . . . . . . 6130 1 911 . 1 1 76 76 ARG N N 15 124.74 . . . . . . . . . . . 6130 1 912 . 1 1 76 76 ARG CA C 13 54.98 . . . . . . . . . . . 6130 1 913 . 1 1 76 76 ARG C C 13 178.29 . . . . . . . . . . . 6130 1 914 . 1 1 76 76 ARG CB C 13 29.21 . . . . . . . . . . . 6130 1 915 . 1 1 76 76 ARG HB3 H 1 1.783 . . . . . . . . . . . 6130 1 916 . 1 1 76 76 ARG HA H 1 4.105 . . . . . . . . . . . 6130 1 917 . 1 1 76 76 ARG HB2 H 1 1.632 . . . . . . . . . . . 6130 1 918 . 1 1 76 76 ARG CG C 13 24.77 . . . . . . . . . . . 6130 1 919 . 1 1 76 76 ARG HG2 H 1 1.515 . . . . . . . . . . . 6130 1 920 . 1 1 76 76 ARG CD C 13 41.24 . . . . . . . . . . . 6130 1 921 . 1 1 76 76 ARG HD2 H 1 3.097 . . . . . . . . . . . 6130 1 stop_ save_