data_11042 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11042 _Entry.Title ; Assigned chemical shifts of RelE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-08 _Entry.Accession_date 2008-04-08 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Sakura Suzuki . . . 11042 2 Masahito Kawazoe . . . 11042 3 Tatsuya Kaminishi . . . 11042 4 Chie Takemoto . . . 11042 5 Yutaka Muto . . . 11042 6 Mikako Shirouzu . . . 11042 7 Shigeyuki Yokoyama . . . 11042 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'RIKEN Structural Genomics/Proteomics Initiative' 'RIKEN GSC' 11042 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RelE . 11042 RNase . 11042 toxin-antitoxin . 11042 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11042 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 417 11042 '15N chemical shifts' 86 11042 '1H chemical shifts' 656 11042 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 . . 2010-03-11 2008-04-08 original author . 11042 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KHE 'BMRB Entry Tracking System' 11042 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11042 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Sakura Suzuki . . . 11042 1 2 Masahito Kawazoe . . . 11042 1 3 Tatsuya Kaminishi . . . 11042 1 4 Chie Takemoto . . . 11042 1 5 Yutaka Muto . . . 11042 1 6 Mikako Shirouzu . . . 11042 1 7 Shigeyuki Yokoyama . . . 11042 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11042 _Assembly.ID 1 _Assembly.Name RelE _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RelE 1 $entity A . yes native no no . . . 11042 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11042 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RelE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGYRIEFDPRAEKELEKLDR EVARRILRFLRERVATLEDP RSLGEPLRGPELGRFWKYRV GDYRLICHIQDREATVLVLR VGHARDVYR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation R84A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10745.523 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2KHE . "Solution Structure Of The Bacterial Toxin Rele From Thermus Thermophilus Hb8" . . . . . 100.00 89 100.00 100.00 3.95e-54 . . . . 11042 1 2 no DBJ BAD12123 . "toxin-like protein [Thermus thermophilus HB8]" . . . . . 100.00 89 98.88 98.88 4.49e-53 . . . . 11042 1 3 no DBJ BAD72060 . "toxin-like protein [Thermus thermophilus HB8]" . . . . . 100.00 89 98.88 98.88 4.49e-53 . . . . 11042 1 4 no REF NP_990873 . "toxin-like protein [Thermus thermophilus HB8]" . . . . . 100.00 89 98.88 98.88 4.49e-53 . . . . 11042 1 5 no REF WP_011171672 . "translation repressor RelE [Thermus thermophilus]" . . . . . 100.00 89 98.88 98.88 4.49e-53 . . . . 11042 1 6 no REF WP_011279285 . "toxin-like protein [Thermus thermophilus]" . . . . . 100.00 89 97.75 97.75 4.77e-52 . . . . 11042 1 7 no REF YP_001688116 . "toxin-like protein [Thermus thermophilus]" . . . . . 100.00 89 97.75 97.75 4.77e-52 . . . . 11042 1 8 no REF YP_145503 . "toxin-like protein [Thermus thermophilus HB8]" . . . . . 100.00 89 98.88 98.88 4.49e-53 . . . . 11042 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 . 11042 1 2 . GLY . 11042 1 3 . TYR . 11042 1 4 . ARG . 11042 1 5 . ILE . 11042 1 6 . GLU . 11042 1 7 . PHE . 11042 1 8 . ASP . 11042 1 9 . PRO . 11042 1 10 . ARG . 11042 1 11 . ALA . 11042 1 12 . GLU . 11042 1 13 . LYS . 11042 1 14 . GLU . 11042 1 15 . LEU . 11042 1 16 . GLU . 11042 1 17 . LYS . 11042 1 18 . LEU . 11042 1 19 . ASP . 11042 1 20 . ARG . 11042 1 21 . GLU . 11042 1 22 . VAL . 11042 1 23 . ALA . 11042 1 24 . ARG . 11042 1 25 . ARG . 11042 1 26 . ILE . 11042 1 27 . LEU . 11042 1 28 . ARG . 11042 1 29 . PHE . 11042 1 30 . LEU . 11042 1 31 . ARG . 11042 1 32 . GLU . 11042 1 33 . ARG . 11042 1 34 . VAL . 11042 1 35 . ALA . 11042 1 36 . THR . 11042 1 37 . LEU . 11042 1 38 . GLU . 11042 1 39 . ASP . 11042 1 40 . PRO . 11042 1 41 . ARG . 11042 1 42 . SER . 11042 1 43 . LEU . 11042 1 44 . GLY . 11042 1 45 . GLU . 11042 1 46 . PRO . 11042 1 47 . LEU . 11042 1 48 . ARG . 11042 1 49 . GLY . 11042 1 50 . PRO . 11042 1 51 . GLU . 11042 1 52 . LEU . 11042 1 53 . GLY . 11042 1 54 . ARG . 11042 1 55 . PHE . 11042 1 56 . TRP . 11042 1 57 . LYS . 11042 1 58 . TYR . 11042 1 59 . ARG . 11042 1 60 . VAL . 11042 1 61 . GLY . 11042 1 62 . ASP . 11042 1 63 . TYR . 11042 1 64 . ARG . 11042 1 65 . LEU . 11042 1 66 . ILE . 11042 1 67 . CYS . 11042 1 68 . HIS . 11042 1 69 . ILE . 11042 1 70 . GLN . 11042 1 71 . ASP . 11042 1 72 . ARG . 11042 1 73 . GLU . 11042 1 74 . ALA . 11042 1 75 . THR . 11042 1 76 . VAL . 11042 1 77 . LEU . 11042 1 78 . VAL . 11042 1 79 . LEU . 11042 1 80 . ARG . 11042 1 81 . VAL . 11042 1 82 . GLY . 11042 1 83 . HIS . 11042 1 84 . ALA . 11042 1 85 . ARG . 11042 1 86 . ASP . 11042 1 87 . VAL . 11042 1 88 . TYR . 11042 1 89 . ARG . 11042 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 11042 1 . GLY 2 2 11042 1 . TYR 3 3 11042 1 . ARG 4 4 11042 1 . ILE 5 5 11042 1 . GLU 6 6 11042 1 . PHE 7 7 11042 1 . ASP 8 8 11042 1 . PRO 9 9 11042 1 . ARG 10 10 11042 1 . ALA 11 11 11042 1 . GLU 12 12 11042 1 . LYS 13 13 11042 1 . GLU 14 14 11042 1 . LEU 15 15 11042 1 . GLU 16 16 11042 1 . LYS 17 17 11042 1 . LEU 18 18 11042 1 . ASP 19 19 11042 1 . ARG 20 20 11042 1 . GLU 21 21 11042 1 . VAL 22 22 11042 1 . ALA 23 23 11042 1 . ARG 24 24 11042 1 . ARG 25 25 11042 1 . ILE 26 26 11042 1 . LEU 27 27 11042 1 . ARG 28 28 11042 1 . PHE 29 29 11042 1 . LEU 30 30 11042 1 . ARG 31 31 11042 1 . GLU 32 32 11042 1 . ARG 33 33 11042 1 . VAL 34 34 11042 1 . ALA 35 35 11042 1 . THR 36 36 11042 1 . LEU 37 37 11042 1 . GLU 38 38 11042 1 . ASP 39 39 11042 1 . PRO 40 40 11042 1 . ARG 41 41 11042 1 . SER 42 42 11042 1 . LEU 43 43 11042 1 . GLY 44 44 11042 1 . GLU 45 45 11042 1 . PRO 46 46 11042 1 . LEU 47 47 11042 1 . ARG 48 48 11042 1 . GLY 49 49 11042 1 . PRO 50 50 11042 1 . GLU 51 51 11042 1 . LEU 52 52 11042 1 . GLY 53 53 11042 1 . ARG 54 54 11042 1 . PHE 55 55 11042 1 . TRP 56 56 11042 1 . LYS 57 57 11042 1 . TYR 58 58 11042 1 . ARG 59 59 11042 1 . VAL 60 60 11042 1 . GLY 61 61 11042 1 . ASP 62 62 11042 1 . TYR 63 63 11042 1 . ARG 64 64 11042 1 . LEU 65 65 11042 1 . ILE 66 66 11042 1 . CYS 67 67 11042 1 . HIS 68 68 11042 1 . ILE 69 69 11042 1 . GLN 70 70 11042 1 . ASP 71 71 11042 1 . ARG 72 72 11042 1 . GLU 73 73 11042 1 . ALA 74 74 11042 1 . THR 75 75 11042 1 . VAL 76 76 11042 1 . LEU 77 77 11042 1 . VAL 78 78 11042 1 . LEU 79 79 11042 1 . ARG 80 80 11042 1 . VAL 81 81 11042 1 . GLY 82 82 11042 1 . HIS 83 83 11042 1 . ALA 84 84 11042 1 . ARG 85 85 11042 1 . ASP 86 86 11042 1 . VAL 87 87 11042 1 . TYR 88 88 11042 1 . ARG 89 89 11042 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 11042 _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 $entity . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 11042 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 11042 _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 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET11 . . . . . . 11042 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11042 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RelE '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.4 . . mM . . . . 11042 1 2 d-Tris-HCl [U-2H] . . . . . . 20 . . mM . . . . 11042 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11042 1 4 d-DTT [U-2H] . . . . . . 5 . . mM . . . . 11042 1 5 H2O . . . . . . . 90 . . % . . . . 11042 1 6 D2O . . . . . . . 10 . . % . . . . 11042 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11042 _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' 120 . mM 11042 1 pH 7.0 . pH 11042 1 pressure 1 . atm 11042 1 temperature 298 . K 11042 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11042 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11042 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11042 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11042 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11042 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11042 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11042 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11042 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11042 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9839 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11042 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11042 4 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 11042 _Software.ID 5 _Software.Name Olivia _Software.Version 1.14.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yokochi, M' . . 11042 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11042 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11042 _Software.ID 6 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11042 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11042 6 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 11042 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11042 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11042 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11042 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11042 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11042 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 11042 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11042 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11042 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11042 _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 0 . direct . . . . . . . . . . 11042 1 H 1 . . . . . . ppm 0 . direct . . . . . . . . . . 11042 1 N 15 . . . . . . ppm 0 . direct . . . . . . . . . . 11042 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11042 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11042 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11042 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $Kujira . . 11042 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 GLY CA C 13 43.490 0.300 . 1 . . . . 2 GLY CA . 11042 1 2 . 1 1 2 2 GLY HA2 H 1 3.883 0.030 . 1 . . . . 2 GLY HA2 . 11042 1 3 . 1 1 2 2 GLY HA3 H 1 3.883 0.030 . 1 . . . . 2 GLY HA3 . 11042 1 4 . 1 1 2 2 GLY C C 13 170.196 0.300 . 1 . . . . 2 GLY C . 11042 1 5 . 1 1 3 3 TYR N N 15 125.625 0.300 . 1 . . . . 3 TYR N . 11042 1 6 . 1 1 3 3 TYR H H 1 9.660 0.030 . 1 . . . . 3 TYR H . 11042 1 7 . 1 1 3 3 TYR CA C 13 56.329 0.300 . 1 . . . . 3 TYR CA . 11042 1 8 . 1 1 3 3 TYR HA H 1 4.585 0.030 . 1 . . . . 3 TYR HA . 11042 1 9 . 1 1 3 3 TYR CB C 13 38.260 0.300 . 1 . . . . 3 TYR CB . 11042 1 10 . 1 1 3 3 TYR HB2 H 1 2.895 0.030 . 2 . . . . 3 TYR HB2 . 11042 1 11 . 1 1 3 3 TYR HB3 H 1 2.585 0.030 . 2 . . . . 3 TYR HB3 . 11042 1 12 . 1 1 3 3 TYR CD1 C 13 131.227 0.300 . 1 . . . . 3 TYR CD1 . 11042 1 13 . 1 1 3 3 TYR HD1 H 1 6.806 0.030 . 1 . . . . 3 TYR HD1 . 11042 1 14 . 1 1 3 3 TYR CD2 C 13 131.227 0.300 . 1 . . . . 3 TYR CD2 . 11042 1 15 . 1 1 3 3 TYR HD2 H 1 6.806 0.030 . 1 . . . . 3 TYR HD2 . 11042 1 16 . 1 1 3 3 TYR CE1 C 13 117.894 0.300 . 1 . . . . 3 TYR CE1 . 11042 1 17 . 1 1 3 3 TYR HE1 H 1 6.578 0.030 . 1 . . . . 3 TYR HE1 . 11042 1 18 . 1 1 3 3 TYR CE2 C 13 117.894 0.300 . 1 . . . . 3 TYR CE2 . 11042 1 19 . 1 1 3 3 TYR HE2 H 1 6.578 0.030 . 1 . . . . 3 TYR HE2 . 11042 1 20 . 1 1 3 3 TYR C C 13 175.483 0.300 . 1 . . . . 3 TYR C . 11042 1 21 . 1 1 4 4 ARG N N 15 119.206 0.300 . 1 . . . . 4 ARG N . 11042 1 22 . 1 1 4 4 ARG H H 1 8.505 0.030 . 1 . . . . 4 ARG H . 11042 1 23 . 1 1 4 4 ARG CA C 13 55.421 0.300 . 1 . . . . 4 ARG CA . 11042 1 24 . 1 1 4 4 ARG HA H 1 4.439 0.030 . 1 . . . . 4 ARG HA . 11042 1 25 . 1 1 4 4 ARG CB C 13 31.632 0.300 . 1 . . . . 4 ARG CB . 11042 1 26 . 1 1 4 4 ARG HB2 H 1 1.907 0.030 . 1 . . . . 4 ARG HB2 . 11042 1 27 . 1 1 4 4 ARG HB3 H 1 1.907 0.030 . 1 . . . . 4 ARG HB3 . 11042 1 28 . 1 1 4 4 ARG CG C 13 27.811 0.300 . 1 . . . . 4 ARG CG . 11042 1 29 . 1 1 4 4 ARG HG2 H 1 1.670 0.030 . 1 . . . . 4 ARG HG2 . 11042 1 30 . 1 1 4 4 ARG HG3 H 1 1.670 0.030 . 1 . . . . 4 ARG HG3 . 11042 1 31 . 1 1 4 4 ARG CD C 13 43.568 0.300 . 1 . . . . 4 ARG CD . 11042 1 32 . 1 1 4 4 ARG HD2 H 1 3.216 0.030 . 1 . . . . 4 ARG HD2 . 11042 1 33 . 1 1 4 4 ARG HD3 H 1 3.216 0.030 . 1 . . . . 4 ARG HD3 . 11042 1 34 . 1 1 4 4 ARG C C 13 174.962 0.300 . 1 . . . . 4 ARG C . 11042 1 35 . 1 1 5 5 ILE N N 15 122.431 0.300 . 1 . . . . 5 ILE N . 11042 1 36 . 1 1 5 5 ILE H H 1 8.552 0.030 . 1 . . . . 5 ILE H . 11042 1 37 . 1 1 5 5 ILE CA C 13 58.547 0.300 . 1 . . . . 5 ILE CA . 11042 1 38 . 1 1 5 5 ILE HA H 1 4.767 0.030 . 1 . . . . 5 ILE HA . 11042 1 39 . 1 1 5 5 ILE CB C 13 36.603 0.300 . 1 . . . . 5 ILE CB . 11042 1 40 . 1 1 5 5 ILE HB H 1 2.049 0.030 . 1 . . . . 5 ILE HB . 11042 1 41 . 1 1 5 5 ILE CG1 C 13 26.940 0.300 . 1 . . . . 5 ILE CG1 . 11042 1 42 . 1 1 5 5 ILE HG12 H 1 1.140 0.030 . 2 . . . . 5 ILE HG12 . 11042 1 43 . 1 1 5 5 ILE HG13 H 1 1.661 0.030 . 2 . . . . 5 ILE HG13 . 11042 1 44 . 1 1 5 5 ILE CG2 C 13 18.350 0.300 . 1 . . . . 5 ILE CG2 . 11042 1 45 . 1 1 5 5 ILE HG21 H 1 0.608 0.030 . 1 . . . . 5 ILE HG2 . 11042 1 46 . 1 1 5 5 ILE HG22 H 1 0.608 0.030 . 1 . . . . 5 ILE HG2 . 11042 1 47 . 1 1 5 5 ILE HG23 H 1 0.608 0.030 . 1 . . . . 5 ILE HG2 . 11042 1 48 . 1 1 5 5 ILE CD1 C 13 9.281 0.300 . 1 . . . . 5 ILE CD1 . 11042 1 49 . 1 1 5 5 ILE HD11 H 1 0.528 0.030 . 1 . . . . 5 ILE HD1 . 11042 1 50 . 1 1 5 5 ILE HD12 H 1 0.528 0.030 . 1 . . . . 5 ILE HD1 . 11042 1 51 . 1 1 5 5 ILE HD13 H 1 0.528 0.030 . 1 . . . . 5 ILE HD1 . 11042 1 52 . 1 1 5 5 ILE C C 13 175.894 0.300 . 1 . . . . 5 ILE C . 11042 1 53 . 1 1 6 6 GLU N N 15 128.184 0.300 . 1 . . . . 6 GLU N . 11042 1 54 . 1 1 6 6 GLU H H 1 8.857 0.030 . 1 . . . . 6 GLU H . 11042 1 55 . 1 1 6 6 GLU CA C 13 54.200 0.300 . 1 . . . . 6 GLU CA . 11042 1 56 . 1 1 6 6 GLU HA H 1 4.759 0.030 . 1 . . . . 6 GLU HA . 11042 1 57 . 1 1 6 6 GLU CB C 13 34.239 0.300 . 1 . . . . 6 GLU CB . 11042 1 58 . 1 1 6 6 GLU HB2 H 1 1.618 0.030 . 2 . . . . 6 GLU HB2 . 11042 1 59 . 1 1 6 6 GLU HB3 H 1 1.889 0.030 . 2 . . . . 6 GLU HB3 . 11042 1 60 . 1 1 6 6 GLU CG C 13 36.262 0.300 . 1 . . . . 6 GLU CG . 11042 1 61 . 1 1 6 6 GLU HG2 H 1 2.229 0.030 . 2 . . . . 6 GLU HG2 . 11042 1 62 . 1 1 6 6 GLU HG3 H 1 2.096 0.030 . 2 . . . . 6 GLU HG3 . 11042 1 63 . 1 1 6 6 GLU C C 13 174.000 0.300 . 1 . . . . 6 GLU C . 11042 1 64 . 1 1 7 7 PHE N N 15 121.012 0.300 . 1 . . . . 7 PHE N . 11042 1 65 . 1 1 7 7 PHE H H 1 9.359 0.030 . 1 . . . . 7 PHE H . 11042 1 66 . 1 1 7 7 PHE CA C 13 57.224 0.300 . 1 . . . . 7 PHE CA . 11042 1 67 . 1 1 7 7 PHE HA H 1 4.824 0.030 . 1 . . . . 7 PHE HA . 11042 1 68 . 1 1 7 7 PHE CB C 13 41.056 0.300 . 1 . . . . 7 PHE CB . 11042 1 69 . 1 1 7 7 PHE HB2 H 1 2.997 0.030 . 2 . . . . 7 PHE HB2 . 11042 1 70 . 1 1 7 7 PHE HB3 H 1 2.828 0.030 . 2 . . . . 7 PHE HB3 . 11042 1 71 . 1 1 7 7 PHE CD1 C 13 131.116 0.300 . 1 . . . . 7 PHE CD1 . 11042 1 72 . 1 1 7 7 PHE HD1 H 1 7.083 0.030 . 1 . . . . 7 PHE HD1 . 11042 1 73 . 1 1 7 7 PHE CD2 C 13 131.116 0.300 . 1 . . . . 7 PHE CD2 . 11042 1 74 . 1 1 7 7 PHE HD2 H 1 7.083 0.030 . 1 . . . . 7 PHE HD2 . 11042 1 75 . 1 1 7 7 PHE CE1 C 13 130.985 0.300 . 1 . . . . 7 PHE CE1 . 11042 1 76 . 1 1 7 7 PHE HE1 H 1 7.062 0.030 . 1 . . . . 7 PHE HE1 . 11042 1 77 . 1 1 7 7 PHE CE2 C 13 130.985 0.300 . 1 . . . . 7 PHE CE2 . 11042 1 78 . 1 1 7 7 PHE HE2 H 1 7.062 0.030 . 1 . . . . 7 PHE HE2 . 11042 1 79 . 1 1 7 7 PHE CZ C 13 129.306 0.300 . 1 . . . . 7 PHE CZ . 11042 1 80 . 1 1 7 7 PHE HZ H 1 6.953 0.030 . 1 . . . . 7 PHE HZ . 11042 1 81 . 1 1 7 7 PHE C C 13 176.025 0.300 . 1 . . . . 7 PHE C . 11042 1 82 . 1 1 8 8 ASP N N 15 126.849 0.300 . 1 . . . . 8 ASP N . 11042 1 83 . 1 1 8 8 ASP H H 1 8.941 0.030 . 1 . . . . 8 ASP H . 11042 1 84 . 1 1 8 8 ASP CA C 13 52.881 0.300 . 1 . . . . 8 ASP CA . 11042 1 85 . 1 1 8 8 ASP HA H 1 4.968 0.030 . 1 . . . . 8 ASP HA . 11042 1 86 . 1 1 8 8 ASP CB C 13 44.888 0.300 . 1 . . . . 8 ASP CB . 11042 1 87 . 1 1 8 8 ASP HB2 H 1 2.959 0.030 . 2 . . . . 8 ASP HB2 . 11042 1 88 . 1 1 8 8 ASP HB3 H 1 2.812 0.030 . 2 . . . . 8 ASP HB3 . 11042 1 89 . 1 1 8 8 ASP C C 13 175.329 0.300 . 1 . . . . 8 ASP C . 11042 1 90 . 1 1 9 9 PRO CA C 13 66.027 0.300 . 1 . . . . 9 PRO CA . 11042 1 91 . 1 1 9 9 PRO HA H 1 4.494 0.030 . 1 . . . . 9 PRO HA . 11042 1 92 . 1 1 9 9 PRO CB C 13 32.285 0.300 . 1 . . . . 9 PRO CB . 11042 1 93 . 1 1 9 9 PRO HB2 H 1 2.473 0.030 . 2 . . . . 9 PRO HB2 . 11042 1 94 . 1 1 9 9 PRO HB3 H 1 1.990 0.030 . 2 . . . . 9 PRO HB3 . 11042 1 95 . 1 1 9 9 PRO CG C 13 27.854 0.300 . 1 . . . . 9 PRO CG . 11042 1 96 . 1 1 9 9 PRO HG2 H 1 2.182 0.030 . 2 . . . . 9 PRO HG2 . 11042 1 97 . 1 1 9 9 PRO HG3 H 1 2.144 0.030 . 2 . . . . 9 PRO HG3 . 11042 1 98 . 1 1 9 9 PRO CD C 13 50.956 0.300 . 1 . . . . 9 PRO CD . 11042 1 99 . 1 1 9 9 PRO HD2 H 1 3.933 0.030 . 2 . . . . 9 PRO HD2 . 11042 1 100 . 1 1 9 9 PRO HD3 H 1 3.821 0.030 . 2 . . . . 9 PRO HD3 . 11042 1 101 . 1 1 9 9 PRO C C 13 179.079 0.300 . 1 . . . . 9 PRO C . 11042 1 102 . 1 1 10 10 ARG N N 15 118.327 0.300 . 1 . . . . 10 ARG N . 11042 1 103 . 1 1 10 10 ARG H H 1 9.159 0.030 . 1 . . . . 10 ARG H . 11042 1 104 . 1 1 10 10 ARG CA C 13 59.704 0.300 . 1 . . . . 10 ARG CA . 11042 1 105 . 1 1 10 10 ARG HA H 1 4.095 0.030 . 1 . . . . 10 ARG HA . 11042 1 106 . 1 1 10 10 ARG CB C 13 29.956 0.300 . 1 . . . . 10 ARG CB . 11042 1 107 . 1 1 10 10 ARG HB2 H 1 1.990 0.030 . 2 . . . . 10 ARG HB2 . 11042 1 108 . 1 1 10 10 ARG HB3 H 1 2.063 0.030 . 2 . . . . 10 ARG HB3 . 11042 1 109 . 1 1 10 10 ARG CG C 13 27.137 0.300 . 1 . . . . 10 ARG CG . 11042 1 110 . 1 1 10 10 ARG HG2 H 1 1.762 0.030 . 2 . . . . 10 ARG HG2 . 11042 1 111 . 1 1 10 10 ARG HG3 H 1 1.716 0.030 . 2 . . . . 10 ARG HG3 . 11042 1 112 . 1 1 10 10 ARG CD C 13 43.750 0.300 . 1 . . . . 10 ARG CD . 11042 1 113 . 1 1 10 10 ARG HD2 H 1 3.246 0.030 . 1 . . . . 10 ARG HD2 . 11042 1 114 . 1 1 10 10 ARG HD3 H 1 3.246 0.030 . 1 . . . . 10 ARG HD3 . 11042 1 115 . 1 1 10 10 ARG C C 13 178.923 0.300 . 1 . . . . 10 ARG C . 11042 1 116 . 1 1 11 11 ALA N N 15 121.832 0.300 . 1 . . . . 11 ALA N . 11042 1 117 . 1 1 11 11 ALA H H 1 7.343 0.030 . 1 . . . . 11 ALA H . 11042 1 118 . 1 1 11 11 ALA CA C 13 54.183 0.300 . 1 . . . . 11 ALA CA . 11042 1 119 . 1 1 11 11 ALA HA H 1 4.616 0.030 . 1 . . . . 11 ALA HA . 11042 1 120 . 1 1 11 11 ALA CB C 13 19.241 0.300 . 1 . . . . 11 ALA CB . 11042 1 121 . 1 1 11 11 ALA HB1 H 1 1.529 0.030 . 1 . . . . 11 ALA HB . 11042 1 122 . 1 1 11 11 ALA HB2 H 1 1.529 0.030 . 1 . . . . 11 ALA HB . 11042 1 123 . 1 1 11 11 ALA HB3 H 1 1.529 0.030 . 1 . . . . 11 ALA HB . 11042 1 124 . 1 1 11 11 ALA C C 13 179.803 0.300 . 1 . . . . 11 ALA C . 11042 1 125 . 1 1 12 12 GLU N N 15 117.677 0.300 . 1 . . . . 12 GLU N . 11042 1 126 . 1 1 12 12 GLU H H 1 8.120 0.030 . 1 . . . . 12 GLU H . 11042 1 127 . 1 1 12 12 GLU CA C 13 60.107 0.300 . 1 . . . . 12 GLU CA . 11042 1 128 . 1 1 12 12 GLU HA H 1 3.720 0.030 . 1 . . . . 12 GLU HA . 11042 1 129 . 1 1 12 12 GLU CB C 13 29.872 0.300 . 1 . . . . 12 GLU CB . 11042 1 130 . 1 1 12 12 GLU HB2 H 1 2.074 0.030 . 1 . . . . 12 GLU HB2 . 11042 1 131 . 1 1 12 12 GLU HB3 H 1 2.074 0.030 . 1 . . . . 12 GLU HB3 . 11042 1 132 . 1 1 12 12 GLU CG C 13 36.892 0.300 . 1 . . . . 12 GLU CG . 11042 1 133 . 1 1 12 12 GLU HG2 H 1 1.962 0.030 . 2 . . . . 12 GLU HG2 . 11042 1 134 . 1 1 12 12 GLU HG3 H 1 2.163 0.030 . 2 . . . . 12 GLU HG3 . 11042 1 135 . 1 1 12 12 GLU C C 13 178.994 0.300 . 1 . . . . 12 GLU C . 11042 1 136 . 1 1 13 13 LYS N N 15 118.152 0.300 . 1 . . . . 13 LYS N . 11042 1 137 . 1 1 13 13 LYS H H 1 7.578 0.030 . 1 . . . . 13 LYS H . 11042 1 138 . 1 1 13 13 LYS CA C 13 58.587 0.300 . 1 . . . . 13 LYS CA . 11042 1 139 . 1 1 13 13 LYS HA H 1 4.084 0.030 . 1 . . . . 13 LYS HA . 11042 1 140 . 1 1 13 13 LYS CB C 13 31.848 0.300 . 1 . . . . 13 LYS CB . 11042 1 141 . 1 1 13 13 LYS HB2 H 1 1.915 0.030 . 2 . . . . 13 LYS HB2 . 11042 1 142 . 1 1 13 13 LYS HB3 H 1 2.013 0.030 . 2 . . . . 13 LYS HB3 . 11042 1 143 . 1 1 13 13 LYS CG C 13 24.990 0.300 . 1 . . . . 13 LYS CG . 11042 1 144 . 1 1 13 13 LYS HG2 H 1 1.638 0.030 . 2 . . . . 13 LYS HG2 . 11042 1 145 . 1 1 13 13 LYS HG3 H 1 1.559 0.030 . 2 . . . . 13 LYS HG3 . 11042 1 146 . 1 1 13 13 LYS CD C 13 28.551 0.300 . 1 . . . . 13 LYS CD . 11042 1 147 . 1 1 13 13 LYS HD2 H 1 1.659 0.030 . 1 . . . . 13 LYS HD2 . 11042 1 148 . 1 1 13 13 LYS HD3 H 1 1.659 0.030 . 1 . . . . 13 LYS HD3 . 11042 1 149 . 1 1 13 13 LYS CE C 13 42.293 0.300 . 1 . . . . 13 LYS CE . 11042 1 150 . 1 1 13 13 LYS HE2 H 1 3.013 0.030 . 1 . . . . 13 LYS HE2 . 11042 1 151 . 1 1 13 13 LYS HE3 H 1 3.013 0.030 . 1 . . . . 13 LYS HE3 . 11042 1 152 . 1 1 13 13 LYS C C 13 179.603 0.300 . 1 . . . . 13 LYS C . 11042 1 153 . 1 1 14 14 GLU N N 15 119.821 0.300 . 1 . . . . 14 GLU N . 11042 1 154 . 1 1 14 14 GLU H H 1 7.949 0.030 . 1 . . . . 14 GLU H . 11042 1 155 . 1 1 14 14 GLU CA C 13 59.544 0.300 . 1 . . . . 14 GLU CA . 11042 1 156 . 1 1 14 14 GLU HA H 1 3.979 0.030 . 1 . . . . 14 GLU HA . 11042 1 157 . 1 1 14 14 GLU CB C 13 29.669 0.300 . 1 . . . . 14 GLU CB . 11042 1 158 . 1 1 14 14 GLU HB2 H 1 2.541 0.030 . 2 . . . . 14 GLU HB2 . 11042 1 159 . 1 1 14 14 GLU HB3 H 1 2.159 0.030 . 2 . . . . 14 GLU HB3 . 11042 1 160 . 1 1 14 14 GLU CG C 13 37.545 0.300 . 1 . . . . 14 GLU CG . 11042 1 161 . 1 1 14 14 GLU HG2 H 1 2.380 0.030 . 2 . . . . 14 GLU HG2 . 11042 1 162 . 1 1 14 14 GLU HG3 H 1 2.647 0.030 . 2 . . . . 14 GLU HG3 . 11042 1 163 . 1 1 14 14 GLU C C 13 180.554 0.300 . 1 . . . . 14 GLU C . 11042 1 164 . 1 1 15 15 LEU N N 15 120.563 0.300 . 1 . . . . 15 LEU N . 11042 1 165 . 1 1 15 15 LEU H H 1 8.359 0.030 . 1 . . . . 15 LEU H . 11042 1 166 . 1 1 15 15 LEU CA C 13 58.111 0.300 . 1 . . . . 15 LEU CA . 11042 1 167 . 1 1 15 15 LEU HA H 1 3.841 0.030 . 1 . . . . 15 LEU HA . 11042 1 168 . 1 1 15 15 LEU CB C 13 42.236 0.300 . 1 . . . . 15 LEU CB . 11042 1 169 . 1 1 15 15 LEU HB2 H 1 1.708 0.030 . 1 . . . . 15 LEU HB2 . 11042 1 170 . 1 1 15 15 LEU HB3 H 1 1.708 0.030 . 1 . . . . 15 LEU HB3 . 11042 1 171 . 1 1 15 15 LEU CG C 13 26.870 0.300 . 1 . . . . 15 LEU CG . 11042 1 172 . 1 1 15 15 LEU HG H 1 1.673 0.030 . 1 . . . . 15 LEU HG . 11042 1 173 . 1 1 15 15 LEU CD1 C 13 25.329 0.300 . 2 . . . . 15 LEU CD1 . 11042 1 174 . 1 1 15 15 LEU HD11 H 1 0.715 0.030 . 1 . . . . 15 LEU HD1 . 11042 1 175 . 1 1 15 15 LEU HD12 H 1 0.715 0.030 . 1 . . . . 15 LEU HD1 . 11042 1 176 . 1 1 15 15 LEU HD13 H 1 0.715 0.030 . 1 . . . . 15 LEU HD1 . 11042 1 177 . 1 1 15 15 LEU CD2 C 13 25.487 0.300 . 2 . . . . 15 LEU CD2 . 11042 1 178 . 1 1 15 15 LEU HD21 H 1 0.804 0.030 . 1 . . . . 15 LEU HD2 . 11042 1 179 . 1 1 15 15 LEU HD22 H 1 0.804 0.030 . 1 . . . . 15 LEU HD2 . 11042 1 180 . 1 1 15 15 LEU HD23 H 1 0.804 0.030 . 1 . . . . 15 LEU HD2 . 11042 1 181 . 1 1 15 15 LEU C C 13 178.870 0.300 . 1 . . . . 15 LEU C . 11042 1 182 . 1 1 16 16 GLU N N 15 116.318 0.300 . 1 . . . . 16 GLU N . 11042 1 183 . 1 1 16 16 GLU H H 1 7.533 0.030 . 1 . . . . 16 GLU H . 11042 1 184 . 1 1 16 16 GLU CA C 13 58.295 0.300 . 1 . . . . 16 GLU CA . 11042 1 185 . 1 1 16 16 GLU HA H 1 3.983 0.030 . 1 . . . . 16 GLU HA . 11042 1 186 . 1 1 16 16 GLU CB C 13 29.946 0.300 . 1 . . . . 16 GLU CB . 11042 1 187 . 1 1 16 16 GLU HB2 H 1 2.137 0.030 . 1 . . . . 16 GLU HB2 . 11042 1 188 . 1 1 16 16 GLU HB3 H 1 2.137 0.030 . 1 . . . . 16 GLU HB3 . 11042 1 189 . 1 1 16 16 GLU CG C 13 36.477 0.300 . 1 . . . . 16 GLU CG . 11042 1 190 . 1 1 16 16 GLU HG2 H 1 2.295 0.030 . 2 . . . . 16 GLU HG2 . 11042 1 191 . 1 1 16 16 GLU HG3 H 1 2.449 0.030 . 2 . . . . 16 GLU HG3 . 11042 1 192 . 1 1 16 16 GLU C C 13 177.074 0.300 . 1 . . . . 16 GLU C . 11042 1 193 . 1 1 17 17 LYS N N 15 115.180 0.300 . 1 . . . . 17 LYS N . 11042 1 194 . 1 1 17 17 LYS H H 1 7.138 0.030 . 1 . . . . 17 LYS H . 11042 1 195 . 1 1 17 17 LYS CA C 13 56.183 0.300 . 1 . . . . 17 LYS CA . 11042 1 196 . 1 1 17 17 LYS HA H 1 4.305 0.030 . 1 . . . . 17 LYS HA . 11042 1 197 . 1 1 17 17 LYS CB C 13 33.200 0.300 . 1 . . . . 17 LYS CB . 11042 1 198 . 1 1 17 17 LYS HB2 H 1 2.040 0.030 . 2 . . . . 17 LYS HB2 . 11042 1 199 . 1 1 17 17 LYS HB3 H 1 1.842 0.030 . 2 . . . . 17 LYS HB3 . 11042 1 200 . 1 1 17 17 LYS CG C 13 25.092 0.300 . 1 . . . . 17 LYS CG . 11042 1 201 . 1 1 17 17 LYS HG2 H 1 1.673 0.030 . 2 . . . . 17 LYS HG2 . 11042 1 202 . 1 1 17 17 LYS HG3 H 1 1.564 0.030 . 2 . . . . 17 LYS HG3 . 11042 1 203 . 1 1 17 17 LYS CD C 13 28.990 0.300 . 1 . . . . 17 LYS CD . 11042 1 204 . 1 1 17 17 LYS HD2 H 1 1.719 0.030 . 1 . . . . 17 LYS HD2 . 11042 1 205 . 1 1 17 17 LYS HD3 H 1 1.719 0.030 . 1 . . . . 17 LYS HD3 . 11042 1 206 . 1 1 17 17 LYS CE C 13 42.195 0.300 . 1 . . . . 17 LYS CE . 11042 1 207 . 1 1 17 17 LYS HE2 H 1 3.005 0.030 . 1 . . . . 17 LYS HE2 . 11042 1 208 . 1 1 17 17 LYS HE3 H 1 3.005 0.030 . 1 . . . . 17 LYS HE3 . 11042 1 209 . 1 1 17 17 LYS C C 13 177.264 0.300 . 1 . . . . 17 LYS C . 11042 1 210 . 1 1 18 18 LEU N N 15 118.904 0.300 . 1 . . . . 18 LEU N . 11042 1 211 . 1 1 18 18 LEU H H 1 7.125 0.030 . 1 . . . . 18 LEU H . 11042 1 212 . 1 1 18 18 LEU CA C 13 54.111 0.300 . 1 . . . . 18 LEU CA . 11042 1 213 . 1 1 18 18 LEU HA H 1 4.345 0.030 . 1 . . . . 18 LEU HA . 11042 1 214 . 1 1 18 18 LEU CB C 13 43.035 0.300 . 1 . . . . 18 LEU CB . 11042 1 215 . 1 1 18 18 LEU HB2 H 1 1.772 0.030 . 2 . . . . 18 LEU HB2 . 11042 1 216 . 1 1 18 18 LEU HB3 H 1 1.316 0.030 . 2 . . . . 18 LEU HB3 . 11042 1 217 . 1 1 18 18 LEU CG C 13 26.041 0.300 . 1 . . . . 18 LEU CG . 11042 1 218 . 1 1 18 18 LEU HG H 1 2.047 0.030 . 1 . . . . 18 LEU HG . 11042 1 219 . 1 1 18 18 LEU CD1 C 13 26.417 0.300 . 2 . . . . 18 LEU CD1 . 11042 1 220 . 1 1 18 18 LEU HD11 H 1 0.588 0.030 . 1 . . . . 18 LEU HD1 . 11042 1 221 . 1 1 18 18 LEU HD12 H 1 0.588 0.030 . 1 . . . . 18 LEU HD1 . 11042 1 222 . 1 1 18 18 LEU HD13 H 1 0.588 0.030 . 1 . . . . 18 LEU HD1 . 11042 1 223 . 1 1 18 18 LEU CD2 C 13 23.008 0.300 . 2 . . . . 18 LEU CD2 . 11042 1 224 . 1 1 18 18 LEU HD21 H 1 0.858 0.030 . 1 . . . . 18 LEU HD2 . 11042 1 225 . 1 1 18 18 LEU HD22 H 1 0.858 0.030 . 1 . . . . 18 LEU HD2 . 11042 1 226 . 1 1 18 18 LEU HD23 H 1 0.858 0.030 . 1 . . . . 18 LEU HD2 . 11042 1 227 . 1 1 18 18 LEU C C 13 176.868 0.300 . 1 . . . . 18 LEU C . 11042 1 228 . 1 1 19 19 ASP N N 15 120.972 0.300 . 1 . . . . 19 ASP N . 11042 1 229 . 1 1 19 19 ASP H H 1 8.340 0.030 . 1 . . . . 19 ASP H . 11042 1 230 . 1 1 19 19 ASP CA C 13 55.086 0.300 . 1 . . . . 19 ASP CA . 11042 1 231 . 1 1 19 19 ASP HA H 1 4.447 0.030 . 1 . . . . 19 ASP HA . 11042 1 232 . 1 1 19 19 ASP CB C 13 42.622 0.300 . 1 . . . . 19 ASP CB . 11042 1 233 . 1 1 19 19 ASP HB2 H 1 2.762 0.030 . 2 . . . . 19 ASP HB2 . 11042 1 234 . 1 1 19 19 ASP HB3 H 1 2.609 0.030 . 2 . . . . 19 ASP HB3 . 11042 1 235 . 1 1 19 19 ASP C C 13 177.337 0.300 . 1 . . . . 19 ASP C . 11042 1 236 . 1 1 20 20 ARG N N 15 124.613 0.300 . 1 . . . . 20 ARG N . 11042 1 237 . 1 1 20 20 ARG H H 1 8.801 0.030 . 1 . . . . 20 ARG H . 11042 1 238 . 1 1 20 20 ARG CA C 13 59.429 0.300 . 1 . . . . 20 ARG CA . 11042 1 239 . 1 1 20 20 ARG HA H 1 3.975 0.030 . 1 . . . . 20 ARG HA . 11042 1 240 . 1 1 20 20 ARG CB C 13 30.214 0.300 . 1 . . . . 20 ARG CB . 11042 1 241 . 1 1 20 20 ARG HB2 H 1 1.951 0.030 . 2 . . . . 20 ARG HB2 . 11042 1 242 . 1 1 20 20 ARG HB3 H 1 1.867 0.030 . 2 . . . . 20 ARG HB3 . 11042 1 243 . 1 1 20 20 ARG CG C 13 26.649 0.300 . 1 . . . . 20 ARG CG . 11042 1 244 . 1 1 20 20 ARG HG2 H 1 1.792 0.030 . 2 . . . . 20 ARG HG2 . 11042 1 245 . 1 1 20 20 ARG HG3 H 1 1.754 0.030 . 2 . . . . 20 ARG HG3 . 11042 1 246 . 1 1 20 20 ARG CD C 13 43.178 0.300 . 1 . . . . 20 ARG CD . 11042 1 247 . 1 1 20 20 ARG HD2 H 1 3.257 0.030 . 1 . . . . 20 ARG HD2 . 11042 1 248 . 1 1 20 20 ARG HD3 H 1 3.257 0.030 . 1 . . . . 20 ARG HD3 . 11042 1 249 . 1 1 20 20 ARG C C 13 178.786 0.300 . 1 . . . . 20 ARG C . 11042 1 250 . 1 1 21 21 GLU N N 15 118.362 0.300 . 1 . . . . 21 GLU N . 11042 1 251 . 1 1 21 21 GLU H H 1 8.663 0.030 . 1 . . . . 21 GLU H . 11042 1 252 . 1 1 21 21 GLU CA C 13 58.995 0.300 . 1 . . . . 21 GLU CA . 11042 1 253 . 1 1 21 21 GLU HA H 1 4.133 0.030 . 1 . . . . 21 GLU HA . 11042 1 254 . 1 1 21 21 GLU CB C 13 28.944 0.300 . 1 . . . . 21 GLU CB . 11042 1 255 . 1 1 21 21 GLU HB2 H 1 2.074 0.030 . 1 . . . . 21 GLU HB2 . 11042 1 256 . 1 1 21 21 GLU HB3 H 1 2.074 0.030 . 1 . . . . 21 GLU HB3 . 11042 1 257 . 1 1 21 21 GLU CG C 13 36.096 0.300 . 1 . . . . 21 GLU CG . 11042 1 258 . 1 1 21 21 GLU HG2 H 1 2.334 0.030 . 1 . . . . 21 GLU HG2 . 11042 1 259 . 1 1 21 21 GLU HG3 H 1 2.334 0.030 . 1 . . . . 21 GLU HG3 . 11042 1 260 . 1 1 21 21 GLU C C 13 179.336 0.300 . 1 . . . . 21 GLU C . 11042 1 261 . 1 1 22 22 VAL N N 15 121.769 0.300 . 1 . . . . 22 VAL N . 11042 1 262 . 1 1 22 22 VAL H H 1 7.414 0.030 . 1 . . . . 22 VAL H . 11042 1 263 . 1 1 22 22 VAL CA C 13 66.170 0.300 . 1 . . . . 22 VAL CA . 11042 1 264 . 1 1 22 22 VAL HA H 1 3.458 0.030 . 1 . . . . 22 VAL HA . 11042 1 265 . 1 1 22 22 VAL CB C 13 31.390 0.300 . 1 . . . . 22 VAL CB . 11042 1 266 . 1 1 22 22 VAL HB H 1 2.066 0.030 . 1 . . . . 22 VAL HB . 11042 1 267 . 1 1 22 22 VAL CG1 C 13 21.226 0.300 . 2 . . . . 22 VAL CG1 . 11042 1 268 . 1 1 22 22 VAL HG11 H 1 0.285 0.030 . 1 . . . . 22 VAL HG1 . 11042 1 269 . 1 1 22 22 VAL HG12 H 1 0.285 0.030 . 1 . . . . 22 VAL HG1 . 11042 1 270 . 1 1 22 22 VAL HG13 H 1 0.285 0.030 . 1 . . . . 22 VAL HG1 . 11042 1 271 . 1 1 22 22 VAL CG2 C 13 22.417 0.300 . 2 . . . . 22 VAL CG2 . 11042 1 272 . 1 1 22 22 VAL HG21 H 1 1.046 0.030 . 1 . . . . 22 VAL HG2 . 11042 1 273 . 1 1 22 22 VAL HG22 H 1 1.046 0.030 . 1 . . . . 22 VAL HG2 . 11042 1 274 . 1 1 22 22 VAL HG23 H 1 1.046 0.030 . 1 . . . . 22 VAL HG2 . 11042 1 275 . 1 1 22 22 VAL C C 13 177.977 0.300 . 1 . . . . 22 VAL C . 11042 1 276 . 1 1 23 23 ALA N N 15 121.318 0.300 . 1 . . . . 23 ALA N . 11042 1 277 . 1 1 23 23 ALA H H 1 8.319 0.030 . 1 . . . . 23 ALA H . 11042 1 278 . 1 1 23 23 ALA CA C 13 55.893 0.300 . 1 . . . . 23 ALA CA . 11042 1 279 . 1 1 23 23 ALA HA H 1 3.727 0.030 . 1 . . . . 23 ALA HA . 11042 1 280 . 1 1 23 23 ALA CB C 13 18.204 0.300 . 1 . . . . 23 ALA CB . 11042 1 281 . 1 1 23 23 ALA HB1 H 1 1.368 0.030 . 1 . . . . 23 ALA HB . 11042 1 282 . 1 1 23 23 ALA HB2 H 1 1.368 0.030 . 1 . . . . 23 ALA HB . 11042 1 283 . 1 1 23 23 ALA HB3 H 1 1.368 0.030 . 1 . . . . 23 ALA HB . 11042 1 284 . 1 1 23 23 ALA C C 13 179.367 0.300 . 1 . . . . 23 ALA C . 11042 1 285 . 1 1 24 24 ARG N N 15 115.596 0.300 . 1 . . . . 24 ARG N . 11042 1 286 . 1 1 24 24 ARG H H 1 8.059 0.030 . 1 . . . . 24 ARG H . 11042 1 287 . 1 1 24 24 ARG CA C 13 59.935 0.300 . 1 . . . . 24 ARG CA . 11042 1 288 . 1 1 24 24 ARG HA H 1 3.923 0.030 . 1 . . . . 24 ARG HA . 11042 1 289 . 1 1 24 24 ARG CB C 13 30.272 0.300 . 1 . . . . 24 ARG CB . 11042 1 290 . 1 1 24 24 ARG HB2 H 1 1.940 0.030 . 2 . . . . 24 ARG HB2 . 11042 1 291 . 1 1 24 24 ARG HB3 H 1 1.896 0.030 . 2 . . . . 24 ARG HB3 . 11042 1 292 . 1 1 24 24 ARG CG C 13 27.898 0.300 . 1 . . . . 24 ARG CG . 11042 1 293 . 1 1 24 24 ARG HG2 H 1 1.580 0.030 . 2 . . . . 24 ARG HG2 . 11042 1 294 . 1 1 24 24 ARG HG3 H 1 1.842 0.030 . 2 . . . . 24 ARG HG3 . 11042 1 295 . 1 1 24 24 ARG CD C 13 43.630 0.300 . 1 . . . . 24 ARG CD . 11042 1 296 . 1 1 24 24 ARG HD2 H 1 3.196 0.030 . 1 . . . . 24 ARG HD2 . 11042 1 297 . 1 1 24 24 ARG HD3 H 1 3.196 0.030 . 1 . . . . 24 ARG HD3 . 11042 1 298 . 1 1 24 24 ARG C C 13 179.152 0.300 . 1 . . . . 24 ARG C . 11042 1 299 . 1 1 25 25 ARG N N 15 120.420 0.300 . 1 . . . . 25 ARG N . 11042 1 300 . 1 1 25 25 ARG H H 1 7.710 0.030 . 1 . . . . 25 ARG H . 11042 1 301 . 1 1 25 25 ARG CA C 13 59.924 0.300 . 1 . . . . 25 ARG CA . 11042 1 302 . 1 1 25 25 ARG HA H 1 4.011 0.030 . 1 . . . . 25 ARG HA . 11042 1 303 . 1 1 25 25 ARG CB C 13 30.311 0.300 . 1 . . . . 25 ARG CB . 11042 1 304 . 1 1 25 25 ARG HB2 H 1 2.058 0.030 . 2 . . . . 25 ARG HB2 . 11042 1 305 . 1 1 25 25 ARG HB3 H 1 1.896 0.030 . 2 . . . . 25 ARG HB3 . 11042 1 306 . 1 1 25 25 ARG CG C 13 27.786 0.300 . 1 . . . . 25 ARG CG . 11042 1 307 . 1 1 25 25 ARG HG2 H 1 1.540 0.030 . 2 . . . . 25 ARG HG2 . 11042 1 308 . 1 1 25 25 ARG HG3 H 1 1.889 0.030 . 2 . . . . 25 ARG HG3 . 11042 1 309 . 1 1 25 25 ARG CD C 13 44.001 0.300 . 1 . . . . 25 ARG CD . 11042 1 310 . 1 1 25 25 ARG HD2 H 1 3.195 0.030 . 2 . . . . 25 ARG HD2 . 11042 1 311 . 1 1 25 25 ARG HD3 H 1 3.170 0.030 . 2 . . . . 25 ARG HD3 . 11042 1 312 . 1 1 25 25 ARG C C 13 179.793 0.300 . 1 . . . . 25 ARG C . 11042 1 313 . 1 1 26 26 ILE N N 15 122.264 0.300 . 1 . . . . 26 ILE N . 11042 1 314 . 1 1 26 26 ILE H H 1 8.333 0.030 . 1 . . . . 26 ILE H . 11042 1 315 . 1 1 26 26 ILE CA C 13 66.081 0.300 . 1 . . . . 26 ILE CA . 11042 1 316 . 1 1 26 26 ILE HA H 1 3.648 0.030 . 1 . . . . 26 ILE HA . 11042 1 317 . 1 1 26 26 ILE CB C 13 38.041 0.300 . 1 . . . . 26 ILE CB . 11042 1 318 . 1 1 26 26 ILE HB H 1 1.962 0.030 . 1 . . . . 26 ILE HB . 11042 1 319 . 1 1 26 26 ILE CG1 C 13 29.553 0.300 . 1 . . . . 26 ILE CG1 . 11042 1 320 . 1 1 26 26 ILE HG12 H 1 0.741 0.030 . 2 . . . . 26 ILE HG12 . 11042 1 321 . 1 1 26 26 ILE HG13 H 1 1.698 0.030 . 2 . . . . 26 ILE HG13 . 11042 1 322 . 1 1 26 26 ILE CG2 C 13 17.989 0.300 . 1 . . . . 26 ILE CG2 . 11042 1 323 . 1 1 26 26 ILE HG21 H 1 0.954 0.030 . 1 . . . . 26 ILE HG2 . 11042 1 324 . 1 1 26 26 ILE HG22 H 1 0.954 0.030 . 1 . . . . 26 ILE HG2 . 11042 1 325 . 1 1 26 26 ILE HG23 H 1 0.954 0.030 . 1 . . . . 26 ILE HG2 . 11042 1 326 . 1 1 26 26 ILE CD1 C 13 13.899 0.300 . 1 . . . . 26 ILE CD1 . 11042 1 327 . 1 1 26 26 ILE HD11 H 1 0.417 0.030 . 1 . . . . 26 ILE HD1 . 11042 1 328 . 1 1 26 26 ILE HD12 H 1 0.417 0.030 . 1 . . . . 26 ILE HD1 . 11042 1 329 . 1 1 26 26 ILE HD13 H 1 0.417 0.030 . 1 . . . . 26 ILE HD1 . 11042 1 330 . 1 1 26 26 ILE C C 13 177.299 0.300 . 1 . . . . 26 ILE C . 11042 1 331 . 1 1 27 27 LEU N N 15 120.237 0.300 . 1 . . . . 27 LEU N . 11042 1 332 . 1 1 27 27 LEU H H 1 8.578 0.030 . 1 . . . . 27 LEU H . 11042 1 333 . 1 1 27 27 LEU CA C 13 58.531 0.300 . 1 . . . . 27 LEU CA . 11042 1 334 . 1 1 27 27 LEU HA H 1 4.136 0.030 . 1 . . . . 27 LEU HA . 11042 1 335 . 1 1 27 27 LEU CB C 13 41.459 0.300 . 1 . . . . 27 LEU CB . 11042 1 336 . 1 1 27 27 LEU HB2 H 1 1.904 0.030 . 2 . . . . 27 LEU HB2 . 11042 1 337 . 1 1 27 27 LEU HB3 H 1 1.497 0.030 . 2 . . . . 27 LEU HB3 . 11042 1 338 . 1 1 27 27 LEU CG C 13 27.267 0.300 . 1 . . . . 27 LEU CG . 11042 1 339 . 1 1 27 27 LEU HG H 1 1.797 0.030 . 1 . . . . 27 LEU HG . 11042 1 340 . 1 1 27 27 LEU CD1 C 13 24.912 0.300 . 2 . . . . 27 LEU CD1 . 11042 1 341 . 1 1 27 27 LEU HD11 H 1 0.837 0.030 . 1 . . . . 27 LEU HD1 . 11042 1 342 . 1 1 27 27 LEU HD12 H 1 0.837 0.030 . 1 . . . . 27 LEU HD1 . 11042 1 343 . 1 1 27 27 LEU HD13 H 1 0.837 0.030 . 1 . . . . 27 LEU HD1 . 11042 1 344 . 1 1 27 27 LEU CD2 C 13 23.239 0.300 . 2 . . . . 27 LEU CD2 . 11042 1 345 . 1 1 27 27 LEU HD21 H 1 0.858 0.030 . 1 . . . . 27 LEU HD2 . 11042 1 346 . 1 1 27 27 LEU HD22 H 1 0.858 0.030 . 1 . . . . 27 LEU HD2 . 11042 1 347 . 1 1 27 27 LEU HD23 H 1 0.858 0.030 . 1 . . . . 27 LEU HD2 . 11042 1 348 . 1 1 27 27 LEU C C 13 179.411 0.300 . 1 . . . . 27 LEU C . 11042 1 349 . 1 1 28 28 ARG N N 15 119.214 0.300 . 1 . . . . 28 ARG N . 11042 1 350 . 1 1 28 28 ARG H H 1 8.375 0.030 . 1 . . . . 28 ARG H . 11042 1 351 . 1 1 28 28 ARG CA C 13 60.090 0.300 . 1 . . . . 28 ARG CA . 11042 1 352 . 1 1 28 28 ARG HA H 1 4.011 0.030 . 1 . . . . 28 ARG HA . 11042 1 353 . 1 1 28 28 ARG CB C 13 30.235 0.300 . 1 . . . . 28 ARG CB . 11042 1 354 . 1 1 28 28 ARG HB2 H 1 1.897 0.030 . 2 . . . . 28 ARG HB2 . 11042 1 355 . 1 1 28 28 ARG HB3 H 1 2.061 0.030 . 2 . . . . 28 ARG HB3 . 11042 1 356 . 1 1 28 28 ARG CG C 13 27.684 0.300 . 1 . . . . 28 ARG CG . 11042 1 357 . 1 1 28 28 ARG HG2 H 1 1.541 0.030 . 2 . . . . 28 ARG HG2 . 11042 1 358 . 1 1 28 28 ARG HG3 H 1 1.773 0.030 . 2 . . . . 28 ARG HG3 . 11042 1 359 . 1 1 28 28 ARG CD C 13 43.769 0.300 . 1 . . . . 28 ARG CD . 11042 1 360 . 1 1 28 28 ARG HD2 H 1 3.194 0.030 . 1 . . . . 28 ARG HD2 . 11042 1 361 . 1 1 28 28 ARG HD3 H 1 3.194 0.030 . 1 . . . . 28 ARG HD3 . 11042 1 362 . 1 1 28 28 ARG C C 13 177.781 0.300 . 1 . . . . 28 ARG C . 11042 1 363 . 1 1 29 29 PHE N N 15 120.820 0.300 . 1 . . . . 29 PHE N . 11042 1 364 . 1 1 29 29 PHE H H 1 8.023 0.030 . 1 . . . . 29 PHE H . 11042 1 365 . 1 1 29 29 PHE CA C 13 61.477 0.300 . 1 . . . . 29 PHE CA . 11042 1 366 . 1 1 29 29 PHE HA H 1 4.282 0.030 . 1 . . . . 29 PHE HA . 11042 1 367 . 1 1 29 29 PHE CB C 13 39.174 0.300 . 1 . . . . 29 PHE CB . 11042 1 368 . 1 1 29 29 PHE HB2 H 1 3.310 0.030 . 2 . . . . 29 PHE HB2 . 11042 1 369 . 1 1 29 29 PHE HB3 H 1 3.245 0.030 . 2 . . . . 29 PHE HB3 . 11042 1 370 . 1 1 29 29 PHE CD1 C 13 131.429 0.300 . 1 . . . . 29 PHE CD1 . 11042 1 371 . 1 1 29 29 PHE HD1 H 1 6.997 0.030 . 1 . . . . 29 PHE HD1 . 11042 1 372 . 1 1 29 29 PHE CD2 C 13 131.429 0.300 . 1 . . . . 29 PHE CD2 . 11042 1 373 . 1 1 29 29 PHE HD2 H 1 6.997 0.030 . 1 . . . . 29 PHE HD2 . 11042 1 374 . 1 1 29 29 PHE CE1 C 13 131.327 0.300 . 1 . . . . 29 PHE CE1 . 11042 1 375 . 1 1 29 29 PHE HE1 H 1 6.932 0.030 . 1 . . . . 29 PHE HE1 . 11042 1 376 . 1 1 29 29 PHE CE2 C 13 131.327 0.300 . 1 . . . . 29 PHE CE2 . 11042 1 377 . 1 1 29 29 PHE HE2 H 1 6.932 0.030 . 1 . . . . 29 PHE HE2 . 11042 1 378 . 1 1 29 29 PHE CZ C 13 129.573 0.300 . 1 . . . . 29 PHE CZ . 11042 1 379 . 1 1 29 29 PHE HZ H 1 7.078 0.030 . 1 . . . . 29 PHE HZ . 11042 1 380 . 1 1 29 29 PHE C C 13 178.201 0.300 . 1 . . . . 29 PHE C . 11042 1 381 . 1 1 30 30 LEU N N 15 119.530 0.300 . 1 . . . . 30 LEU N . 11042 1 382 . 1 1 30 30 LEU H H 1 8.231 0.030 . 1 . . . . 30 LEU H . 11042 1 383 . 1 1 30 30 LEU CA C 13 58.108 0.300 . 1 . . . . 30 LEU CA . 11042 1 384 . 1 1 30 30 LEU HA H 1 3.606 0.030 . 1 . . . . 30 LEU HA . 11042 1 385 . 1 1 30 30 LEU CB C 13 42.495 0.300 . 1 . . . . 30 LEU CB . 11042 1 386 . 1 1 30 30 LEU HB2 H 1 2.125 0.030 . 2 . . . . 30 LEU HB2 . 11042 1 387 . 1 1 30 30 LEU HB3 H 1 1.364 0.030 . 2 . . . . 30 LEU HB3 . 11042 1 388 . 1 1 30 30 LEU CG C 13 27.397 0.300 . 1 . . . . 30 LEU CG . 11042 1 389 . 1 1 30 30 LEU HG H 1 1.894 0.030 . 1 . . . . 30 LEU HG . 11042 1 390 . 1 1 30 30 LEU CD1 C 13 27.333 0.300 . 2 . . . . 30 LEU CD1 . 11042 1 391 . 1 1 30 30 LEU HD11 H 1 1.006 0.030 . 1 . . . . 30 LEU HD1 . 11042 1 392 . 1 1 30 30 LEU HD12 H 1 1.006 0.030 . 1 . . . . 30 LEU HD1 . 11042 1 393 . 1 1 30 30 LEU HD13 H 1 1.006 0.030 . 1 . . . . 30 LEU HD1 . 11042 1 394 . 1 1 30 30 LEU CD2 C 13 21.740 0.300 . 2 . . . . 30 LEU CD2 . 11042 1 395 . 1 1 30 30 LEU HD21 H 1 0.676 0.030 . 1 . . . . 30 LEU HD2 . 11042 1 396 . 1 1 30 30 LEU HD22 H 1 0.676 0.030 . 1 . . . . 30 LEU HD2 . 11042 1 397 . 1 1 30 30 LEU HD23 H 1 0.676 0.030 . 1 . . . . 30 LEU HD2 . 11042 1 398 . 1 1 30 30 LEU C C 13 177.260 0.300 . 1 . . . . 30 LEU C . 11042 1 399 . 1 1 31 31 ARG N N 15 115.782 0.300 . 1 . . . . 31 ARG N . 11042 1 400 . 1 1 31 31 ARG H H 1 8.366 0.030 . 1 . . . . 31 ARG H . 11042 1 401 . 1 1 31 31 ARG CA C 13 59.376 0.300 . 1 . . . . 31 ARG CA . 11042 1 402 . 1 1 31 31 ARG HA H 1 3.971 0.030 . 1 . . . . 31 ARG HA . 11042 1 403 . 1 1 31 31 ARG CB C 13 31.086 0.300 . 1 . . . . 31 ARG CB . 11042 1 404 . 1 1 31 31 ARG HB2 H 1 1.928 0.030 . 2 . . . . 31 ARG HB2 . 11042 1 405 . 1 1 31 31 ARG HB3 H 1 1.848 0.030 . 2 . . . . 31 ARG HB3 . 11042 1 406 . 1 1 31 31 ARG CG C 13 28.177 0.300 . 1 . . . . 31 ARG CG . 11042 1 407 . 1 1 31 31 ARG HG2 H 1 1.802 0.030 . 2 . . . . 31 ARG HG2 . 11042 1 408 . 1 1 31 31 ARG HG3 H 1 1.618 0.030 . 2 . . . . 31 ARG HG3 . 11042 1 409 . 1 1 31 31 ARG CD C 13 43.512 0.300 . 1 . . . . 31 ARG CD . 11042 1 410 . 1 1 31 31 ARG HD2 H 1 3.192 0.030 . 1 . . . . 31 ARG HD2 . 11042 1 411 . 1 1 31 31 ARG HD3 H 1 3.192 0.030 . 1 . . . . 31 ARG HD3 . 11042 1 412 . 1 1 31 31 ARG C C 13 177.467 0.300 . 1 . . . . 31 ARG C . 11042 1 413 . 1 1 32 32 GLU N N 15 113.561 0.300 . 1 . . . . 32 GLU N . 11042 1 414 . 1 1 32 32 GLU H H 1 8.854 0.030 . 1 . . . . 32 GLU H . 11042 1 415 . 1 1 32 32 GLU CA C 13 57.275 0.300 . 1 . . . . 32 GLU CA . 11042 1 416 . 1 1 32 32 GLU HA H 1 4.286 0.030 . 1 . . . . 32 GLU HA . 11042 1 417 . 1 1 32 32 GLU CB C 13 30.222 0.300 . 1 . . . . 32 GLU CB . 11042 1 418 . 1 1 32 32 GLU HB2 H 1 2.039 0.030 . 2 . . . . 32 GLU HB2 . 11042 1 419 . 1 1 32 32 GLU HB3 H 1 1.983 0.030 . 2 . . . . 32 GLU HB3 . 11042 1 420 . 1 1 32 32 GLU CG C 13 36.919 0.300 . 1 . . . . 32 GLU CG . 11042 1 421 . 1 1 32 32 GLU HG2 H 1 2.377 0.030 . 2 . . . . 32 GLU HG2 . 11042 1 422 . 1 1 32 32 GLU HG3 H 1 2.212 0.030 . 2 . . . . 32 GLU HG3 . 11042 1 423 . 1 1 32 32 GLU C C 13 178.010 0.300 . 1 . . . . 32 GLU C . 11042 1 424 . 1 1 33 33 ARG N N 15 116.307 0.300 . 1 . . . . 33 ARG N . 11042 1 425 . 1 1 33 33 ARG H H 1 7.656 0.030 . 1 . . . . 33 ARG H . 11042 1 426 . 1 1 33 33 ARG CA C 13 55.796 0.300 . 1 . . . . 33 ARG CA . 11042 1 427 . 1 1 33 33 ARG HA H 1 4.485 0.030 . 1 . . . . 33 ARG HA . 11042 1 428 . 1 1 33 33 ARG CB C 13 29.334 0.300 . 1 . . . . 33 ARG CB . 11042 1 429 . 1 1 33 33 ARG HB2 H 1 1.410 0.030 . 1 . . . . 33 ARG HB2 . 11042 1 430 . 1 1 33 33 ARG HB3 H 1 1.410 0.030 . 1 . . . . 33 ARG HB3 . 11042 1 431 . 1 1 33 33 ARG CG C 13 26.169 0.300 . 1 . . . . 33 ARG CG . 11042 1 432 . 1 1 33 33 ARG HG2 H 1 1.583 0.030 . 2 . . . . 33 ARG HG2 . 11042 1 433 . 1 1 33 33 ARG HG3 H 1 1.384 0.030 . 2 . . . . 33 ARG HG3 . 11042 1 434 . 1 1 33 33 ARG CD C 13 42.555 0.300 . 1 . . . . 33 ARG CD . 11042 1 435 . 1 1 33 33 ARG HD2 H 1 3.162 0.030 . 1 . . . . 33 ARG HD2 . 11042 1 436 . 1 1 33 33 ARG HD3 H 1 3.162 0.030 . 1 . . . . 33 ARG HD3 . 11042 1 437 . 1 1 33 33 ARG C C 13 176.209 0.300 . 1 . . . . 33 ARG C . 11042 1 438 . 1 1 34 34 VAL N N 15 117.783 0.300 . 1 . . . . 34 VAL N . 11042 1 439 . 1 1 34 34 VAL H H 1 7.179 0.030 . 1 . . . . 34 VAL H . 11042 1 440 . 1 1 34 34 VAL CA C 13 66.265 0.300 . 1 . . . . 34 VAL CA . 11042 1 441 . 1 1 34 34 VAL HA H 1 3.420 0.030 . 1 . . . . 34 VAL HA . 11042 1 442 . 1 1 34 34 VAL CB C 13 30.917 0.300 . 1 . . . . 34 VAL CB . 11042 1 443 . 1 1 34 34 VAL HB H 1 2.010 0.030 . 1 . . . . 34 VAL HB . 11042 1 444 . 1 1 34 34 VAL CG1 C 13 23.052 0.300 . 2 . . . . 34 VAL CG1 . 11042 1 445 . 1 1 34 34 VAL HG11 H 1 -0.125 0.030 . 1 . . . . 34 VAL HG1 . 11042 1 446 . 1 1 34 34 VAL HG12 H 1 -0.125 0.030 . 1 . . . . 34 VAL HG1 . 11042 1 447 . 1 1 34 34 VAL HG13 H 1 -0.125 0.030 . 1 . . . . 34 VAL HG1 . 11042 1 448 . 1 1 34 34 VAL CG2 C 13 21.200 0.300 . 2 . . . . 34 VAL CG2 . 11042 1 449 . 1 1 34 34 VAL HG21 H 1 0.593 0.030 . 1 . . . . 34 VAL HG2 . 11042 1 450 . 1 1 34 34 VAL HG22 H 1 0.593 0.030 . 1 . . . . 34 VAL HG2 . 11042 1 451 . 1 1 34 34 VAL HG23 H 1 0.593 0.030 . 1 . . . . 34 VAL HG2 . 11042 1 452 . 1 1 34 34 VAL C C 13 178.332 0.300 . 1 . . . . 34 VAL C . 11042 1 453 . 1 1 35 35 ALA N N 15 119.083 0.300 . 1 . . . . 35 ALA N . 11042 1 454 . 1 1 35 35 ALA H H 1 8.269 0.030 . 1 . . . . 35 ALA H . 11042 1 455 . 1 1 35 35 ALA CA C 13 54.147 0.300 . 1 . . . . 35 ALA CA . 11042 1 456 . 1 1 35 35 ALA HA H 1 4.210 0.030 . 1 . . . . 35 ALA HA . 11042 1 457 . 1 1 35 35 ALA CB C 13 19.111 0.300 . 1 . . . . 35 ALA CB . 11042 1 458 . 1 1 35 35 ALA HB1 H 1 1.549 0.030 . 1 . . . . 35 ALA HB . 11042 1 459 . 1 1 35 35 ALA HB2 H 1 1.549 0.030 . 1 . . . . 35 ALA HB . 11042 1 460 . 1 1 35 35 ALA HB3 H 1 1.549 0.030 . 1 . . . . 35 ALA HB . 11042 1 461 . 1 1 35 35 ALA C C 13 176.985 0.300 . 1 . . . . 35 ALA C . 11042 1 462 . 1 1 36 36 THR N N 15 101.170 0.300 . 1 . . . . 36 THR N . 11042 1 463 . 1 1 36 36 THR H H 1 6.715 0.030 . 1 . . . . 36 THR H . 11042 1 464 . 1 1 36 36 THR CA C 13 60.658 0.300 . 1 . . . . 36 THR CA . 11042 1 465 . 1 1 36 36 THR HA H 1 4.240 0.030 . 1 . . . . 36 THR HA . 11042 1 466 . 1 1 36 36 THR CB C 13 69.493 0.300 . 1 . . . . 36 THR CB . 11042 1 467 . 1 1 36 36 THR HB H 1 4.330 0.030 . 1 . . . . 36 THR HB . 11042 1 468 . 1 1 36 36 THR CG2 C 13 21.706 0.300 . 1 . . . . 36 THR CG2 . 11042 1 469 . 1 1 36 36 THR HG21 H 1 1.154 0.030 . 1 . . . . 36 THR HG2 . 11042 1 470 . 1 1 36 36 THR HG22 H 1 1.154 0.030 . 1 . . . . 36 THR HG2 . 11042 1 471 . 1 1 36 36 THR HG23 H 1 1.154 0.030 . 1 . . . . 36 THR HG2 . 11042 1 472 . 1 1 36 36 THR C C 13 175.819 0.300 . 1 . . . . 36 THR C . 11042 1 473 . 1 1 37 37 LEU N N 15 123.577 0.300 . 1 . . . . 37 LEU N . 11042 1 474 . 1 1 37 37 LEU H H 1 7.114 0.030 . 1 . . . . 37 LEU H . 11042 1 475 . 1 1 37 37 LEU CA C 13 54.489 0.300 . 1 . . . . 37 LEU CA . 11042 1 476 . 1 1 37 37 LEU HA H 1 4.155 0.030 . 1 . . . . 37 LEU HA . 11042 1 477 . 1 1 37 37 LEU CB C 13 42.434 0.300 . 1 . . . . 37 LEU CB . 11042 1 478 . 1 1 37 37 LEU HB2 H 1 1.449 0.030 . 2 . . . . 37 LEU HB2 . 11042 1 479 . 1 1 37 37 LEU HB3 H 1 1.184 0.030 . 2 . . . . 37 LEU HB3 . 11042 1 480 . 1 1 37 37 LEU CG C 13 25.517 0.300 . 1 . . . . 37 LEU CG . 11042 1 481 . 1 1 37 37 LEU HG H 1 1.915 0.030 . 1 . . . . 37 LEU HG . 11042 1 482 . 1 1 37 37 LEU CD1 C 13 26.928 0.300 . 2 . . . . 37 LEU CD1 . 11042 1 483 . 1 1 37 37 LEU HD11 H 1 0.877 0.030 . 1 . . . . 37 LEU HD1 . 11042 1 484 . 1 1 37 37 LEU HD12 H 1 0.877 0.030 . 1 . . . . 37 LEU HD1 . 11042 1 485 . 1 1 37 37 LEU HD13 H 1 0.877 0.030 . 1 . . . . 37 LEU HD1 . 11042 1 486 . 1 1 37 37 LEU CD2 C 13 22.256 0.300 . 2 . . . . 37 LEU CD2 . 11042 1 487 . 1 1 37 37 LEU HD21 H 1 0.780 0.030 . 1 . . . . 37 LEU HD2 . 11042 1 488 . 1 1 37 37 LEU HD22 H 1 0.780 0.030 . 1 . . . . 37 LEU HD2 . 11042 1 489 . 1 1 37 37 LEU HD23 H 1 0.780 0.030 . 1 . . . . 37 LEU HD2 . 11042 1 490 . 1 1 37 37 LEU C C 13 177.530 0.300 . 1 . . . . 37 LEU C . 11042 1 491 . 1 1 38 38 GLU N N 15 122.749 0.300 . 1 . . . . 38 GLU N . 11042 1 492 . 1 1 38 38 GLU H H 1 8.563 0.030 . 1 . . . . 38 GLU H . 11042 1 493 . 1 1 38 38 GLU CA C 13 58.808 0.300 . 1 . . . . 38 GLU CA . 11042 1 494 . 1 1 38 38 GLU HA H 1 3.998 0.030 . 1 . . . . 38 GLU HA . 11042 1 495 . 1 1 38 38 GLU CB C 13 29.414 0.300 . 1 . . . . 38 GLU CB . 11042 1 496 . 1 1 38 38 GLU HB2 H 1 1.964 0.030 . 1 . . . . 38 GLU HB2 . 11042 1 497 . 1 1 38 38 GLU HB3 H 1 1.964 0.030 . 1 . . . . 38 GLU HB3 . 11042 1 498 . 1 1 38 38 GLU CG C 13 36.531 0.300 . 1 . . . . 38 GLU CG . 11042 1 499 . 1 1 38 38 GLU HG2 H 1 2.328 0.030 . 2 . . . . 38 GLU HG2 . 11042 1 500 . 1 1 38 38 GLU HG3 H 1 2.271 0.030 . 2 . . . . 38 GLU HG3 . 11042 1 501 . 1 1 38 38 GLU C C 13 176.754 0.300 . 1 . . . . 38 GLU C . 11042 1 502 . 1 1 39 39 ASP N N 15 115.063 0.300 . 1 . . . . 39 ASP N . 11042 1 503 . 1 1 39 39 ASP H H 1 7.988 0.030 . 1 . . . . 39 ASP H . 11042 1 504 . 1 1 39 39 ASP CA C 13 49.188 0.300 . 1 . . . . 39 ASP CA . 11042 1 505 . 1 1 39 39 ASP HA H 1 4.872 0.030 . 1 . . . . 39 ASP HA . 11042 1 506 . 1 1 39 39 ASP CB C 13 42.256 0.300 . 1 . . . . 39 ASP CB . 11042 1 507 . 1 1 39 39 ASP HB2 H 1 2.797 0.030 . 2 . . . . 39 ASP HB2 . 11042 1 508 . 1 1 39 39 ASP HB3 H 1 2.406 0.030 . 2 . . . . 39 ASP HB3 . 11042 1 509 . 1 1 39 39 ASP C C 13 174.951 0.300 . 1 . . . . 39 ASP C . 11042 1 510 . 1 1 40 40 PRO CA C 13 63.940 0.300 . 1 . . . . 40 PRO CA . 11042 1 511 . 1 1 40 40 PRO HA H 1 4.171 0.030 . 1 . . . . 40 PRO HA . 11042 1 512 . 1 1 40 40 PRO CB C 13 30.711 0.300 . 1 . . . . 40 PRO CB . 11042 1 513 . 1 1 40 40 PRO HB2 H 1 1.800 0.030 . 2 . . . . 40 PRO HB2 . 11042 1 514 . 1 1 40 40 PRO HB3 H 1 1.406 0.030 . 2 . . . . 40 PRO HB3 . 11042 1 515 . 1 1 40 40 PRO CG C 13 26.252 0.300 . 1 . . . . 40 PRO CG . 11042 1 516 . 1 1 40 40 PRO HG2 H 1 0.804 0.030 . 2 . . . . 40 PRO HG2 . 11042 1 517 . 1 1 40 40 PRO HG3 H 1 0.679 0.030 . 2 . . . . 40 PRO HG3 . 11042 1 518 . 1 1 40 40 PRO CD C 13 50.544 0.300 . 1 . . . . 40 PRO CD . 11042 1 519 . 1 1 40 40 PRO HD2 H 1 3.327 0.030 . 2 . . . . 40 PRO HD2 . 11042 1 520 . 1 1 40 40 PRO HD3 H 1 2.700 0.030 . 2 . . . . 40 PRO HD3 . 11042 1 521 . 1 1 40 40 PRO C C 13 176.240 0.300 . 1 . . . . 40 PRO C . 11042 1 522 . 1 1 41 41 ARG N N 15 116.847 0.300 . 1 . . . . 41 ARG N . 11042 1 523 . 1 1 41 41 ARG H H 1 7.735 0.030 . 1 . . . . 41 ARG H . 11042 1 524 . 1 1 41 41 ARG CA C 13 56.231 0.300 . 1 . . . . 41 ARG CA . 11042 1 525 . 1 1 41 41 ARG HA H 1 3.737 0.030 . 1 . . . . 41 ARG HA . 11042 1 526 . 1 1 41 41 ARG CB C 13 28.519 0.300 . 1 . . . . 41 ARG CB . 11042 1 527 . 1 1 41 41 ARG HB2 H 1 1.432 0.030 . 2 . . . . 41 ARG HB2 . 11042 1 528 . 1 1 41 41 ARG HB3 H 1 1.252 0.030 . 2 . . . . 41 ARG HB3 . 11042 1 529 . 1 1 41 41 ARG CG C 13 27.981 0.300 . 1 . . . . 41 ARG CG . 11042 1 530 . 1 1 41 41 ARG HG2 H 1 0.626 0.030 . 2 . . . . 41 ARG HG2 . 11042 1 531 . 1 1 41 41 ARG HG3 H 1 -1.075 0.030 . 2 . . . . 41 ARG HG3 . 11042 1 532 . 1 1 41 41 ARG CD C 13 42.996 0.300 . 1 . . . . 41 ARG CD . 11042 1 533 . 1 1 41 41 ARG HD2 H 1 2.555 0.030 . 2 . . . . 41 ARG HD2 . 11042 1 534 . 1 1 41 41 ARG HD3 H 1 2.782 0.030 . 2 . . . . 41 ARG HD3 . 11042 1 535 . 1 1 41 41 ARG NE N 15 83.634 0.300 . 1 . . . . 41 ARG NE . 11042 1 536 . 1 1 41 41 ARG HE H 1 6.881 0.030 . 1 . . . . 41 ARG HE . 11042 1 537 . 1 1 41 41 ARG C C 13 176.750 0.300 . 1 . . . . 41 ARG C . 11042 1 538 . 1 1 42 42 SER N N 15 115.854 0.300 . 1 . . . . 42 SER N . 11042 1 539 . 1 1 42 42 SER H H 1 8.075 0.030 . 1 . . . . 42 SER H . 11042 1 540 . 1 1 42 42 SER CA C 13 60.477 0.300 . 1 . . . . 42 SER CA . 11042 1 541 . 1 1 42 42 SER HA H 1 4.298 0.030 . 1 . . . . 42 SER HA . 11042 1 542 . 1 1 42 42 SER CB C 13 63.670 0.300 . 1 . . . . 42 SER CB . 11042 1 543 . 1 1 42 42 SER HB2 H 1 3.963 0.030 . 2 . . . . 42 SER HB2 . 11042 1 544 . 1 1 42 42 SER HB3 H 1 4.122 0.030 . 2 . . . . 42 SER HB3 . 11042 1 545 . 1 1 42 42 SER C C 13 173.044 0.300 . 1 . . . . 42 SER C . 11042 1 546 . 1 1 43 43 LEU N N 15 120.395 0.300 . 1 . . . . 43 LEU N . 11042 1 547 . 1 1 43 43 LEU H H 1 7.409 0.030 . 1 . . . . 43 LEU H . 11042 1 548 . 1 1 43 43 LEU CA C 13 53.626 0.300 . 1 . . . . 43 LEU CA . 11042 1 549 . 1 1 43 43 LEU HA H 1 4.951 0.030 . 1 . . . . 43 LEU HA . 11042 1 550 . 1 1 43 43 LEU CB C 13 46.561 0.300 . 1 . . . . 43 LEU CB . 11042 1 551 . 1 1 43 43 LEU HB2 H 1 1.730 0.030 . 2 . . . . 43 LEU HB2 . 11042 1 552 . 1 1 43 43 LEU HB3 H 1 1.920 0.030 . 2 . . . . 43 LEU HB3 . 11042 1 553 . 1 1 43 43 LEU CG C 13 27.210 0.300 . 1 . . . . 43 LEU CG . 11042 1 554 . 1 1 43 43 LEU HG H 1 1.808 0.030 . 1 . . . . 43 LEU HG . 11042 1 555 . 1 1 43 43 LEU CD1 C 13 23.933 0.300 . 2 . . . . 43 LEU CD1 . 11042 1 556 . 1 1 43 43 LEU HD11 H 1 1.106 0.030 . 1 . . . . 43 LEU HD1 . 11042 1 557 . 1 1 43 43 LEU HD12 H 1 1.106 0.030 . 1 . . . . 43 LEU HD1 . 11042 1 558 . 1 1 43 43 LEU HD13 H 1 1.106 0.030 . 1 . . . . 43 LEU HD1 . 11042 1 559 . 1 1 43 43 LEU CD2 C 13 25.775 0.300 . 2 . . . . 43 LEU CD2 . 11042 1 560 . 1 1 43 43 LEU HD21 H 1 0.954 0.030 . 1 . . . . 43 LEU HD2 . 11042 1 561 . 1 1 43 43 LEU HD22 H 1 0.954 0.030 . 1 . . . . 43 LEU HD2 . 11042 1 562 . 1 1 43 43 LEU HD23 H 1 0.954 0.030 . 1 . . . . 43 LEU HD2 . 11042 1 563 . 1 1 43 43 LEU C C 13 176.414 0.300 . 1 . . . . 43 LEU C . 11042 1 564 . 1 1 44 44 GLY N N 15 106.704 0.300 . 1 . . . . 44 GLY N . 11042 1 565 . 1 1 44 44 GLY H H 1 8.596 0.030 . 1 . . . . 44 GLY H . 11042 1 566 . 1 1 44 44 GLY CA C 13 46.097 0.300 . 1 . . . . 44 GLY CA . 11042 1 567 . 1 1 44 44 GLY HA2 H 1 4.501 0.030 . 2 . . . . 44 GLY HA2 . 11042 1 568 . 1 1 44 44 GLY HA3 H 1 4.160 0.030 . 2 . . . . 44 GLY HA3 . 11042 1 569 . 1 1 44 44 GLY C C 13 172.974 0.300 . 1 . . . . 44 GLY C . 11042 1 570 . 1 1 45 45 GLU N N 15 118.303 0.300 . 1 . . . . 45 GLU N . 11042 1 571 . 1 1 45 45 GLU H H 1 7.990 0.030 . 1 . . . . 45 GLU H . 11042 1 572 . 1 1 45 45 GLU CA C 13 52.705 0.300 . 1 . . . . 45 GLU CA . 11042 1 573 . 1 1 45 45 GLU HA H 1 4.320 0.030 . 1 . . . . 45 GLU HA . 11042 1 574 . 1 1 45 45 GLU CB C 13 31.683 0.300 . 1 . . . . 45 GLU CB . 11042 1 575 . 1 1 45 45 GLU HB2 H 1 1.661 0.030 . 2 . . . . 45 GLU HB2 . 11042 1 576 . 1 1 45 45 GLU HB3 H 1 1.767 0.030 . 2 . . . . 45 GLU HB3 . 11042 1 577 . 1 1 45 45 GLU CG C 13 35.439 0.300 . 1 . . . . 45 GLU CG . 11042 1 578 . 1 1 45 45 GLU HG2 H 1 1.777 0.030 . 2 . . . . 45 GLU HG2 . 11042 1 579 . 1 1 45 45 GLU HG3 H 1 1.932 0.030 . 2 . . . . 45 GLU HG3 . 11042 1 580 . 1 1 45 45 GLU C C 13 169.744 0.300 . 1 . . . . 45 GLU C . 11042 1 581 . 1 1 46 46 PRO CA C 13 61.908 0.300 . 1 . . . . 46 PRO CA . 11042 1 582 . 1 1 46 46 PRO HA H 1 3.972 0.030 . 1 . . . . 46 PRO HA . 11042 1 583 . 1 1 46 46 PRO CB C 13 31.979 0.300 . 1 . . . . 46 PRO CB . 11042 1 584 . 1 1 46 46 PRO HB2 H 1 1.758 0.030 . 2 . . . . 46 PRO HB2 . 11042 1 585 . 1 1 46 46 PRO HB3 H 1 2.331 0.030 . 2 . . . . 46 PRO HB3 . 11042 1 586 . 1 1 46 46 PRO CG C 13 26.570 0.300 . 1 . . . . 46 PRO CG . 11042 1 587 . 1 1 46 46 PRO HG2 H 1 1.815 0.030 . 2 . . . . 46 PRO HG2 . 11042 1 588 . 1 1 46 46 PRO HG3 H 1 2.028 0.030 . 2 . . . . 46 PRO HG3 . 11042 1 589 . 1 1 46 46 PRO CD C 13 49.547 0.300 . 1 . . . . 46 PRO CD . 11042 1 590 . 1 1 46 46 PRO HD2 H 1 3.330 0.030 . 2 . . . . 46 PRO HD2 . 11042 1 591 . 1 1 46 46 PRO HD3 H 1 3.162 0.030 . 2 . . . . 46 PRO HD3 . 11042 1 592 . 1 1 46 46 PRO C C 13 177.256 0.300 . 1 . . . . 46 PRO C . 11042 1 593 . 1 1 47 47 LEU N N 15 121.006 0.300 . 1 . . . . 47 LEU N . 11042 1 594 . 1 1 47 47 LEU H H 1 7.699 0.030 . 1 . . . . 47 LEU H . 11042 1 595 . 1 1 47 47 LEU CA C 13 54.604 0.300 . 1 . . . . 47 LEU CA . 11042 1 596 . 1 1 47 47 LEU HA H 1 4.259 0.030 . 1 . . . . 47 LEU HA . 11042 1 597 . 1 1 47 47 LEU CB C 13 42.991 0.300 . 1 . . . . 47 LEU CB . 11042 1 598 . 1 1 47 47 LEU HB2 H 1 1.605 0.030 . 2 . . . . 47 LEU HB2 . 11042 1 599 . 1 1 47 47 LEU HB3 H 1 1.362 0.030 . 2 . . . . 47 LEU HB3 . 11042 1 600 . 1 1 47 47 LEU CG C 13 27.693 0.300 . 1 . . . . 47 LEU CG . 11042 1 601 . 1 1 47 47 LEU HG H 1 1.499 0.030 . 1 . . . . 47 LEU HG . 11042 1 602 . 1 1 47 47 LEU CD1 C 13 25.338 0.300 . 2 . . . . 47 LEU CD1 . 11042 1 603 . 1 1 47 47 LEU HD11 H 1 0.830 0.030 . 1 . . . . 47 LEU HD1 . 11042 1 604 . 1 1 47 47 LEU HD12 H 1 0.830 0.030 . 1 . . . . 47 LEU HD1 . 11042 1 605 . 1 1 47 47 LEU HD13 H 1 0.830 0.030 . 1 . . . . 47 LEU HD1 . 11042 1 606 . 1 1 47 47 LEU CD2 C 13 25.932 0.300 . 2 . . . . 47 LEU CD2 . 11042 1 607 . 1 1 47 47 LEU HD21 H 1 0.893 0.030 . 1 . . . . 47 LEU HD2 . 11042 1 608 . 1 1 47 47 LEU HD22 H 1 0.893 0.030 . 1 . . . . 47 LEU HD2 . 11042 1 609 . 1 1 47 47 LEU HD23 H 1 0.893 0.030 . 1 . . . . 47 LEU HD2 . 11042 1 610 . 1 1 47 47 LEU C C 13 176.286 0.300 . 1 . . . . 47 LEU C . 11042 1 611 . 1 1 48 48 ARG N N 15 121.657 0.300 . 1 . . . . 48 ARG N . 11042 1 612 . 1 1 48 48 ARG H H 1 8.389 0.030 . 1 . . . . 48 ARG H . 11042 1 613 . 1 1 48 48 ARG CA C 13 55.930 0.300 . 1 . . . . 48 ARG CA . 11042 1 614 . 1 1 48 48 ARG HA H 1 4.424 0.030 . 1 . . . . 48 ARG HA . 11042 1 615 . 1 1 48 48 ARG CB C 13 31.304 0.300 . 1 . . . . 48 ARG CB . 11042 1 616 . 1 1 48 48 ARG HB2 H 1 1.727 0.030 . 2 . . . . 48 ARG HB2 . 11042 1 617 . 1 1 48 48 ARG HB3 H 1 1.821 0.030 . 2 . . . . 48 ARG HB3 . 11042 1 618 . 1 1 48 48 ARG CG C 13 27.289 0.300 . 1 . . . . 48 ARG CG . 11042 1 619 . 1 1 48 48 ARG HG2 H 1 1.607 0.030 . 2 . . . . 48 ARG HG2 . 11042 1 620 . 1 1 48 48 ARG HG3 H 1 1.524 0.030 . 2 . . . . 48 ARG HG3 . 11042 1 621 . 1 1 48 48 ARG CD C 13 43.282 0.300 . 1 . . . . 48 ARG CD . 11042 1 622 . 1 1 48 48 ARG HD2 H 1 3.145 0.030 . 1 . . . . 48 ARG HD2 . 11042 1 623 . 1 1 48 48 ARG HD3 H 1 3.145 0.030 . 1 . . . . 48 ARG HD3 . 11042 1 624 . 1 1 48 48 ARG C C 13 176.004 0.300 . 1 . . . . 48 ARG C . 11042 1 625 . 1 1 49 49 GLY N N 15 110.521 0.300 . 1 . . . . 49 GLY N . 11042 1 626 . 1 1 49 49 GLY H H 1 8.175 0.030 . 1 . . . . 49 GLY H . 11042 1 627 . 1 1 49 49 GLY CA C 13 44.809 0.300 . 1 . . . . 49 GLY CA . 11042 1 628 . 1 1 49 49 GLY HA2 H 1 4.355 0.030 . 2 . . . . 49 GLY HA2 . 11042 1 629 . 1 1 49 49 GLY HA3 H 1 3.980 0.030 . 2 . . . . 49 GLY HA3 . 11042 1 630 . 1 1 49 49 GLY C C 13 172.357 0.300 . 1 . . . . 49 GLY C . 11042 1 631 . 1 1 50 50 PRO CA C 13 64.343 0.300 . 1 . . . . 50 PRO CA . 11042 1 632 . 1 1 50 50 PRO HA H 1 4.366 0.030 . 1 . . . . 50 PRO HA . 11042 1 633 . 1 1 50 50 PRO CB C 13 32.069 0.300 . 1 . . . . 50 PRO CB . 11042 1 634 . 1 1 50 50 PRO HB2 H 1 2.322 0.030 . 2 . . . . 50 PRO HB2 . 11042 1 635 . 1 1 50 50 PRO HB3 H 1 1.997 0.030 . 2 . . . . 50 PRO HB3 . 11042 1 636 . 1 1 50 50 PRO CG C 13 27.286 0.300 . 1 . . . . 50 PRO CG . 11042 1 637 . 1 1 50 50 PRO HG2 H 1 2.037 0.030 . 1 . . . . 50 PRO HG2 . 11042 1 638 . 1 1 50 50 PRO HG3 H 1 2.037 0.030 . 1 . . . . 50 PRO HG3 . 11042 1 639 . 1 1 50 50 PRO CD C 13 49.802 0.300 . 1 . . . . 50 PRO CD . 11042 1 640 . 1 1 50 50 PRO HD2 H 1 3.580 0.030 . 2 . . . . 50 PRO HD2 . 11042 1 641 . 1 1 50 50 PRO HD3 H 1 3.685 0.030 . 2 . . . . 50 PRO HD3 . 11042 1 642 . 1 1 50 50 PRO C C 13 177.453 0.300 . 1 . . . . 50 PRO C . 11042 1 643 . 1 1 51 51 GLU N N 15 117.696 0.300 . 1 . . . . 51 GLU N . 11042 1 644 . 1 1 51 51 GLU H H 1 8.399 0.030 . 1 . . . . 51 GLU H . 11042 1 645 . 1 1 51 51 GLU CA C 13 56.920 0.300 . 1 . . . . 51 GLU CA . 11042 1 646 . 1 1 51 51 GLU HA H 1 4.320 0.030 . 1 . . . . 51 GLU HA . 11042 1 647 . 1 1 51 51 GLU CB C 13 29.502 0.300 . 1 . . . . 51 GLU CB . 11042 1 648 . 1 1 51 51 GLU HB2 H 1 2.055 0.030 . 2 . . . . 51 GLU HB2 . 11042 1 649 . 1 1 51 51 GLU HB3 H 1 2.018 0.030 . 2 . . . . 51 GLU HB3 . 11042 1 650 . 1 1 51 51 GLU CG C 13 36.359 0.300 . 1 . . . . 51 GLU CG . 11042 1 651 . 1 1 51 51 GLU HG2 H 1 2.210 0.030 . 1 . . . . 51 GLU HG2 . 11042 1 652 . 1 1 51 51 GLU HG3 H 1 2.210 0.030 . 1 . . . . 51 GLU HG3 . 11042 1 653 . 1 1 51 51 GLU C C 13 176.812 0.300 . 1 . . . . 51 GLU C . 11042 1 654 . 1 1 52 52 LEU N N 15 120.848 0.300 . 1 . . . . 52 LEU N . 11042 1 655 . 1 1 52 52 LEU H H 1 8.159 0.030 . 1 . . . . 52 LEU H . 11042 1 656 . 1 1 52 52 LEU CA C 13 55.551 0.300 . 1 . . . . 52 LEU CA . 11042 1 657 . 1 1 52 52 LEU HA H 1 4.390 0.030 . 1 . . . . 52 LEU HA . 11042 1 658 . 1 1 52 52 LEU CB C 13 42.049 0.300 . 1 . . . . 52 LEU CB . 11042 1 659 . 1 1 52 52 LEU HB2 H 1 1.697 0.030 . 1 . . . . 52 LEU HB2 . 11042 1 660 . 1 1 52 52 LEU HB3 H 1 1.697 0.030 . 1 . . . . 52 LEU HB3 . 11042 1 661 . 1 1 52 52 LEU CG C 13 26.877 0.300 . 1 . . . . 52 LEU CG . 11042 1 662 . 1 1 52 52 LEU HG H 1 1.610 0.030 . 1 . . . . 52 LEU HG . 11042 1 663 . 1 1 52 52 LEU CD1 C 13 25.291 0.300 . 2 . . . . 52 LEU CD1 . 11042 1 664 . 1 1 52 52 LEU HD11 H 1 0.931 0.030 . 1 . . . . 52 LEU HD1 . 11042 1 665 . 1 1 52 52 LEU HD12 H 1 0.931 0.030 . 1 . . . . 52 LEU HD1 . 11042 1 666 . 1 1 52 52 LEU HD13 H 1 0.931 0.030 . 1 . . . . 52 LEU HD1 . 11042 1 667 . 1 1 52 52 LEU CD2 C 13 23.597 0.300 . 2 . . . . 52 LEU CD2 . 11042 1 668 . 1 1 52 52 LEU HD21 H 1 0.896 0.030 . 1 . . . . 52 LEU HD2 . 11042 1 669 . 1 1 52 52 LEU HD22 H 1 0.896 0.030 . 1 . . . . 52 LEU HD2 . 11042 1 670 . 1 1 52 52 LEU HD23 H 1 0.896 0.030 . 1 . . . . 52 LEU HD2 . 11042 1 671 . 1 1 52 52 LEU C C 13 177.740 0.300 . 1 . . . . 52 LEU C . 11042 1 672 . 1 1 53 53 GLY N N 15 109.123 0.300 . 1 . . . . 53 GLY N . 11042 1 673 . 1 1 53 53 GLY H H 1 8.362 0.030 . 1 . . . . 53 GLY H . 11042 1 674 . 1 1 53 53 GLY CA C 13 46.332 0.300 . 1 . . . . 53 GLY CA . 11042 1 675 . 1 1 53 53 GLY HA2 H 1 4.073 0.030 . 2 . . . . 53 GLY HA2 . 11042 1 676 . 1 1 53 53 GLY HA3 H 1 3.944 0.030 . 2 . . . . 53 GLY HA3 . 11042 1 677 . 1 1 53 53 GLY C C 13 174.315 0.300 . 1 . . . . 53 GLY C . 11042 1 678 . 1 1 54 54 ARG N N 15 119.168 0.300 . 1 . . . . 54 ARG N . 11042 1 679 . 1 1 54 54 ARG H H 1 7.795 0.030 . 1 . . . . 54 ARG H . 11042 1 680 . 1 1 54 54 ARG CA C 13 56.920 0.300 . 1 . . . . 54 ARG CA . 11042 1 681 . 1 1 54 54 ARG HA H 1 4.373 0.030 . 1 . . . . 54 ARG HA . 11042 1 682 . 1 1 54 54 ARG CB C 13 30.495 0.300 . 1 . . . . 54 ARG CB . 11042 1 683 . 1 1 54 54 ARG HB2 H 1 1.549 0.030 . 2 . . . . 54 ARG HB2 . 11042 1 684 . 1 1 54 54 ARG HB3 H 1 1.460 0.030 . 2 . . . . 54 ARG HB3 . 11042 1 685 . 1 1 54 54 ARG CG C 13 26.923 0.300 . 1 . . . . 54 ARG CG . 11042 1 686 . 1 1 54 54 ARG HG2 H 1 1.277 0.030 . 2 . . . . 54 ARG HG2 . 11042 1 687 . 1 1 54 54 ARG HG3 H 1 1.209 0.030 . 2 . . . . 54 ARG HG3 . 11042 1 688 . 1 1 54 54 ARG CD C 13 43.451 0.300 . 1 . . . . 54 ARG CD . 11042 1 689 . 1 1 54 54 ARG HD2 H 1 3.029 0.030 . 1 . . . . 54 ARG HD2 . 11042 1 690 . 1 1 54 54 ARG HD3 H 1 3.029 0.030 . 1 . . . . 54 ARG HD3 . 11042 1 691 . 1 1 54 54 ARG HE H 1 7.108 0.030 . 1 . . . . 54 ARG HE . 11042 1 692 . 1 1 54 54 ARG C C 13 175.930 0.300 . 1 . . . . 54 ARG C . 11042 1 693 . 1 1 55 55 PHE N N 15 118.538 0.300 . 1 . . . . 55 PHE N . 11042 1 694 . 1 1 55 55 PHE H H 1 8.186 0.030 . 1 . . . . 55 PHE H . 11042 1 695 . 1 1 55 55 PHE CA C 13 55.891 0.300 . 1 . . . . 55 PHE CA . 11042 1 696 . 1 1 55 55 PHE HA H 1 5.652 0.030 . 1 . . . . 55 PHE HA . 11042 1 697 . 1 1 55 55 PHE CB C 13 40.989 0.300 . 1 . . . . 55 PHE CB . 11042 1 698 . 1 1 55 55 PHE HB2 H 1 3.254 0.030 . 2 . . . . 55 PHE HB2 . 11042 1 699 . 1 1 55 55 PHE HB3 H 1 3.054 0.030 . 2 . . . . 55 PHE HB3 . 11042 1 700 . 1 1 55 55 PHE CD1 C 13 130.735 0.300 . 1 . . . . 55 PHE CD1 . 11042 1 701 . 1 1 55 55 PHE HD1 H 1 7.118 0.030 . 1 . . . . 55 PHE HD1 . 11042 1 702 . 1 1 55 55 PHE CD2 C 13 130.735 0.300 . 1 . . . . 55 PHE CD2 . 11042 1 703 . 1 1 55 55 PHE HD2 H 1 7.118 0.030 . 1 . . . . 55 PHE HD2 . 11042 1 704 . 1 1 55 55 PHE C C 13 174.380 0.300 . 1 . . . . 55 PHE C . 11042 1 705 . 1 1 56 56 TRP N N 15 127.002 0.300 . 1 . . . . 56 TRP N . 11042 1 706 . 1 1 56 56 TRP H H 1 9.715 0.030 . 1 . . . . 56 TRP H . 11042 1 707 . 1 1 56 56 TRP CA C 13 56.764 0.300 . 1 . . . . 56 TRP CA . 11042 1 708 . 1 1 56 56 TRP HA H 1 4.695 0.030 . 1 . . . . 56 TRP HA . 11042 1 709 . 1 1 56 56 TRP CB C 13 36.136 0.300 . 1 . . . . 56 TRP CB . 11042 1 710 . 1 1 56 56 TRP HB2 H 1 3.008 0.030 . 2 . . . . 56 TRP HB2 . 11042 1 711 . 1 1 56 56 TRP HB3 H 1 2.569 0.030 . 2 . . . . 56 TRP HB3 . 11042 1 712 . 1 1 56 56 TRP CD1 C 13 126.475 0.300 . 1 . . . . 56 TRP CD1 . 11042 1 713 . 1 1 56 56 TRP HD1 H 1 5.523 0.030 . 1 . . . . 56 TRP HD1 . 11042 1 714 . 1 1 56 56 TRP NE1 N 15 129.978 0.300 . 1 . . . . 56 TRP NE1 . 11042 1 715 . 1 1 56 56 TRP HE1 H 1 10.715 0.030 . 1 . . . . 56 TRP HE1 . 11042 1 716 . 1 1 56 56 TRP CE3 C 13 119.389 0.300 . 1 . . . . 56 TRP CE3 . 11042 1 717 . 1 1 56 56 TRP HE3 H 1 7.509 0.030 . 1 . . . . 56 TRP HE3 . 11042 1 718 . 1 1 56 56 TRP CZ2 C 13 114.855 0.300 . 1 . . . . 56 TRP CZ2 . 11042 1 719 . 1 1 56 56 TRP HZ2 H 1 7.313 0.030 . 1 . . . . 56 TRP HZ2 . 11042 1 720 . 1 1 56 56 TRP CZ3 C 13 121.252 0.300 . 1 . . . . 56 TRP CZ3 . 11042 1 721 . 1 1 56 56 TRP HZ3 H 1 7.158 0.030 . 1 . . . . 56 TRP HZ3 . 11042 1 722 . 1 1 56 56 TRP CH2 C 13 123.671 0.300 . 1 . . . . 56 TRP CH2 . 11042 1 723 . 1 1 56 56 TRP HH2 H 1 7.205 0.030 . 1 . . . . 56 TRP HH2 . 11042 1 724 . 1 1 56 56 TRP C C 13 173.031 0.300 . 1 . . . . 56 TRP C . 11042 1 725 . 1 1 57 57 LYS N N 15 126.040 0.300 . 1 . . . . 57 LYS N . 11042 1 726 . 1 1 57 57 LYS H H 1 8.400 0.030 . 1 . . . . 57 LYS H . 11042 1 727 . 1 1 57 57 LYS CA C 13 53.966 0.300 . 1 . . . . 57 LYS CA . 11042 1 728 . 1 1 57 57 LYS HA H 1 5.609 0.030 . 1 . . . . 57 LYS HA . 11042 1 729 . 1 1 57 57 LYS CB C 13 35.841 0.300 . 1 . . . . 57 LYS CB . 11042 1 730 . 1 1 57 57 LYS HB2 H 1 1.530 0.030 . 2 . . . . 57 LYS HB2 . 11042 1 731 . 1 1 57 57 LYS HB3 H 1 1.244 0.030 . 2 . . . . 57 LYS HB3 . 11042 1 732 . 1 1 57 57 LYS CG C 13 24.256 0.300 . 1 . . . . 57 LYS CG . 11042 1 733 . 1 1 57 57 LYS HG2 H 1 1.198 0.030 . 2 . . . . 57 LYS HG2 . 11042 1 734 . 1 1 57 57 LYS HG3 H 1 1.031 0.030 . 2 . . . . 57 LYS HG3 . 11042 1 735 . 1 1 57 57 LYS CD C 13 29.848 0.300 . 1 . . . . 57 LYS CD . 11042 1 736 . 1 1 57 57 LYS HD2 H 1 1.470 0.030 . 2 . . . . 57 LYS HD2 . 11042 1 737 . 1 1 57 57 LYS HD3 H 1 1.447 0.030 . 2 . . . . 57 LYS HD3 . 11042 1 738 . 1 1 57 57 LYS CE C 13 41.326 0.300 . 1 . . . . 57 LYS CE . 11042 1 739 . 1 1 57 57 LYS HE2 H 1 2.685 0.030 . 2 . . . . 57 LYS HE2 . 11042 1 740 . 1 1 57 57 LYS HE3 H 1 2.628 0.030 . 2 . . . . 57 LYS HE3 . 11042 1 741 . 1 1 57 57 LYS C C 13 175.128 0.300 . 1 . . . . 57 LYS C . 11042 1 742 . 1 1 58 58 TYR N N 15 121.975 0.300 . 1 . . . . 58 TYR N . 11042 1 743 . 1 1 58 58 TYR H H 1 8.776 0.030 . 1 . . . . 58 TYR H . 11042 1 744 . 1 1 58 58 TYR CA C 13 56.599 0.300 . 1 . . . . 58 TYR CA . 11042 1 745 . 1 1 58 58 TYR HA H 1 5.163 0.030 . 1 . . . . 58 TYR HA . 11042 1 746 . 1 1 58 58 TYR CB C 13 42.735 0.300 . 1 . . . . 58 TYR CB . 11042 1 747 . 1 1 58 58 TYR HB2 H 1 3.275 0.030 . 2 . . . . 58 TYR HB2 . 11042 1 748 . 1 1 58 58 TYR HB3 H 1 2.649 0.030 . 2 . . . . 58 TYR HB3 . 11042 1 749 . 1 1 58 58 TYR CD1 C 13 132.753 0.300 . 1 . . . . 58 TYR CD1 . 11042 1 750 . 1 1 58 58 TYR HD1 H 1 7.208 0.030 . 1 . . . . 58 TYR HD1 . 11042 1 751 . 1 1 58 58 TYR CD2 C 13 132.753 0.300 . 1 . . . . 58 TYR CD2 . 11042 1 752 . 1 1 58 58 TYR HD2 H 1 7.208 0.030 . 1 . . . . 58 TYR HD2 . 11042 1 753 . 1 1 58 58 TYR CE1 C 13 118.442 0.300 . 1 . . . . 58 TYR CE1 . 11042 1 754 . 1 1 58 58 TYR HE1 H 1 6.819 0.030 . 1 . . . . 58 TYR HE1 . 11042 1 755 . 1 1 58 58 TYR CE2 C 13 118.442 0.300 . 1 . . . . 58 TYR CE2 . 11042 1 756 . 1 1 58 58 TYR HE2 H 1 6.819 0.030 . 1 . . . . 58 TYR HE2 . 11042 1 757 . 1 1 58 58 TYR C C 13 175.170 0.300 . 1 . . . . 58 TYR C . 11042 1 758 . 1 1 59 59 ARG N N 15 121.478 0.300 . 1 . . . . 59 ARG N . 11042 1 759 . 1 1 59 59 ARG H H 1 9.198 0.030 . 1 . . . . 59 ARG H . 11042 1 760 . 1 1 59 59 ARG CA C 13 54.812 0.300 . 1 . . . . 59 ARG CA . 11042 1 761 . 1 1 59 59 ARG HA H 1 4.850 0.030 . 1 . . . . 59 ARG HA . 11042 1 762 . 1 1 59 59 ARG CB C 13 32.590 0.300 . 1 . . . . 59 ARG CB . 11042 1 763 . 1 1 59 59 ARG HB2 H 1 1.735 0.030 . 1 . . . . 59 ARG HB2 . 11042 1 764 . 1 1 59 59 ARG HB3 H 1 1.735 0.030 . 1 . . . . 59 ARG HB3 . 11042 1 765 . 1 1 59 59 ARG CG C 13 27.025 0.300 . 1 . . . . 59 ARG CG . 11042 1 766 . 1 1 59 59 ARG HG2 H 1 1.324 0.030 . 2 . . . . 59 ARG HG2 . 11042 1 767 . 1 1 59 59 ARG HG3 H 1 1.636 0.030 . 2 . . . . 59 ARG HG3 . 11042 1 768 . 1 1 59 59 ARG CD C 13 43.504 0.300 . 1 . . . . 59 ARG CD . 11042 1 769 . 1 1 59 59 ARG HD2 H 1 3.140 0.030 . 1 . . . . 59 ARG HD2 . 11042 1 770 . 1 1 59 59 ARG HD3 H 1 3.140 0.030 . 1 . . . . 59 ARG HD3 . 11042 1 771 . 1 1 59 59 ARG C C 13 174.524 0.300 . 1 . . . . 59 ARG C . 11042 1 772 . 1 1 60 60 VAL N N 15 123.018 0.300 . 1 . . . . 60 VAL N . 11042 1 773 . 1 1 60 60 VAL H H 1 7.925 0.030 . 1 . . . . 60 VAL H . 11042 1 774 . 1 1 60 60 VAL CA C 13 60.658 0.300 . 1 . . . . 60 VAL CA . 11042 1 775 . 1 1 60 60 VAL HA H 1 3.784 0.030 . 1 . . . . 60 VAL HA . 11042 1 776 . 1 1 60 60 VAL CB C 13 32.512 0.300 . 1 . . . . 60 VAL CB . 11042 1 777 . 1 1 60 60 VAL HB H 1 1.459 0.030 . 1 . . . . 60 VAL HB . 11042 1 778 . 1 1 60 60 VAL CG1 C 13 20.526 0.300 . 2 . . . . 60 VAL CG1 . 11042 1 779 . 1 1 60 60 VAL HG11 H 1 0.607 0.030 . 1 . . . . 60 VAL HG1 . 11042 1 780 . 1 1 60 60 VAL HG12 H 1 0.607 0.030 . 1 . . . . 60 VAL HG1 . 11042 1 781 . 1 1 60 60 VAL HG13 H 1 0.607 0.030 . 1 . . . . 60 VAL HG1 . 11042 1 782 . 1 1 60 60 VAL CG2 C 13 20.557 0.300 . 2 . . . . 60 VAL CG2 . 11042 1 783 . 1 1 60 60 VAL HG21 H 1 0.131 0.030 . 1 . . . . 60 VAL HG2 . 11042 1 784 . 1 1 60 60 VAL HG22 H 1 0.131 0.030 . 1 . . . . 60 VAL HG2 . 11042 1 785 . 1 1 60 60 VAL HG23 H 1 0.131 0.030 . 1 . . . . 60 VAL HG2 . 11042 1 786 . 1 1 60 60 VAL C C 13 175.474 0.300 . 1 . . . . 60 VAL C . 11042 1 787 . 1 1 61 61 GLY N N 15 117.222 0.300 . 1 . . . . 61 GLY N . 11042 1 788 . 1 1 61 61 GLY H H 1 8.893 0.030 . 1 . . . . 61 GLY H . 11042 1 789 . 1 1 61 61 GLY CA C 13 47.148 0.300 . 1 . . . . 61 GLY CA . 11042 1 790 . 1 1 61 61 GLY HA2 H 1 4.012 0.030 . 2 . . . . 61 GLY HA2 . 11042 1 791 . 1 1 61 61 GLY HA3 H 1 3.680 0.030 . 2 . . . . 61 GLY HA3 . 11042 1 792 . 1 1 61 61 GLY C C 13 175.499 0.300 . 1 . . . . 61 GLY C . 11042 1 793 . 1 1 62 62 ASP N N 15 127.931 0.300 . 1 . . . . 62 ASP N . 11042 1 794 . 1 1 62 62 ASP H H 1 9.043 0.030 . 1 . . . . 62 ASP H . 11042 1 795 . 1 1 62 62 ASP CA C 13 55.003 0.300 . 1 . . . . 62 ASP CA . 11042 1 796 . 1 1 62 62 ASP HA H 1 4.502 0.030 . 1 . . . . 62 ASP HA . 11042 1 797 . 1 1 62 62 ASP CB C 13 40.427 0.300 . 1 . . . . 62 ASP CB . 11042 1 798 . 1 1 62 62 ASP HB2 H 1 2.407 0.030 . 2 . . . . 62 ASP HB2 . 11042 1 799 . 1 1 62 62 ASP HB3 H 1 2.147 0.030 . 2 . . . . 62 ASP HB3 . 11042 1 800 . 1 1 62 62 ASP C C 13 173.150 0.300 . 1 . . . . 62 ASP C . 11042 1 801 . 1 1 63 63 TYR N N 15 117.056 0.300 . 1 . . . . 63 TYR N . 11042 1 802 . 1 1 63 63 TYR H H 1 8.296 0.030 . 1 . . . . 63 TYR H . 11042 1 803 . 1 1 63 63 TYR CA C 13 58.337 0.300 . 1 . . . . 63 TYR CA . 11042 1 804 . 1 1 63 63 TYR HA H 1 4.631 0.030 . 1 . . . . 63 TYR HA . 11042 1 805 . 1 1 63 63 TYR CB C 13 40.568 0.300 . 1 . . . . 63 TYR CB . 11042 1 806 . 1 1 63 63 TYR HB2 H 1 2.998 0.030 . 2 . . . . 63 TYR HB2 . 11042 1 807 . 1 1 63 63 TYR HB3 H 1 2.596 0.030 . 2 . . . . 63 TYR HB3 . 11042 1 808 . 1 1 63 63 TYR CD1 C 13 132.545 0.300 . 1 . . . . 63 TYR CD1 . 11042 1 809 . 1 1 63 63 TYR HD1 H 1 6.934 0.030 . 1 . . . . 63 TYR HD1 . 11042 1 810 . 1 1 63 63 TYR CD2 C 13 132.545 0.300 . 1 . . . . 63 TYR CD2 . 11042 1 811 . 1 1 63 63 TYR HD2 H 1 6.934 0.030 . 1 . . . . 63 TYR HD2 . 11042 1 812 . 1 1 63 63 TYR CE1 C 13 118.573 0.300 . 1 . . . . 63 TYR CE1 . 11042 1 813 . 1 1 63 63 TYR HE1 H 1 6.872 0.030 . 1 . . . . 63 TYR HE1 . 11042 1 814 . 1 1 63 63 TYR CE2 C 13 118.573 0.300 . 1 . . . . 63 TYR CE2 . 11042 1 815 . 1 1 63 63 TYR HE2 H 1 6.872 0.030 . 1 . . . . 63 TYR HE2 . 11042 1 816 . 1 1 63 63 TYR C C 13 176.128 0.300 . 1 . . . . 63 TYR C . 11042 1 817 . 1 1 64 64 ARG N N 15 121.953 0.300 . 1 . . . . 64 ARG N . 11042 1 818 . 1 1 64 64 ARG H H 1 9.469 0.030 . 1 . . . . 64 ARG H . 11042 1 819 . 1 1 64 64 ARG CA C 13 53.081 0.300 . 1 . . . . 64 ARG CA . 11042 1 820 . 1 1 64 64 ARG HA H 1 5.269 0.030 . 1 . . . . 64 ARG HA . 11042 1 821 . 1 1 64 64 ARG CB C 13 32.910 0.300 . 1 . . . . 64 ARG CB . 11042 1 822 . 1 1 64 64 ARG HB2 H 1 1.430 0.030 . 2 . . . . 64 ARG HB2 . 11042 1 823 . 1 1 64 64 ARG HB3 H 1 1.626 0.030 . 2 . . . . 64 ARG HB3 . 11042 1 824 . 1 1 64 64 ARG CG C 13 27.069 0.300 . 1 . . . . 64 ARG CG . 11042 1 825 . 1 1 64 64 ARG HG2 H 1 1.221 0.030 . 2 . . . . 64 ARG HG2 . 11042 1 826 . 1 1 64 64 ARG HG3 H 1 1.622 0.030 . 2 . . . . 64 ARG HG3 . 11042 1 827 . 1 1 64 64 ARG CD C 13 43.381 0.300 . 1 . . . . 64 ARG CD . 11042 1 828 . 1 1 64 64 ARG HD2 H 1 2.757 0.030 . 2 . . . . 64 ARG HD2 . 11042 1 829 . 1 1 64 64 ARG HD3 H 1 3.214 0.030 . 2 . . . . 64 ARG HD3 . 11042 1 830 . 1 1 64 64 ARG C C 13 173.988 0.300 . 1 . . . . 64 ARG C . 11042 1 831 . 1 1 65 65 LEU N N 15 122.181 0.300 . 1 . . . . 65 LEU N . 11042 1 832 . 1 1 65 65 LEU H H 1 8.908 0.030 . 1 . . . . 65 LEU H . 11042 1 833 . 1 1 65 65 LEU CA C 13 53.170 0.300 . 1 . . . . 65 LEU CA . 11042 1 834 . 1 1 65 65 LEU HA H 1 5.347 0.030 . 1 . . . . 65 LEU HA . 11042 1 835 . 1 1 65 65 LEU CB C 13 44.229 0.300 . 1 . . . . 65 LEU CB . 11042 1 836 . 1 1 65 65 LEU HB2 H 1 2.018 0.030 . 2 . . . . 65 LEU HB2 . 11042 1 837 . 1 1 65 65 LEU HB3 H 1 1.505 0.030 . 2 . . . . 65 LEU HB3 . 11042 1 838 . 1 1 65 65 LEU CG C 13 27.993 0.300 . 1 . . . . 65 LEU CG . 11042 1 839 . 1 1 65 65 LEU HG H 1 1.752 0.030 . 1 . . . . 65 LEU HG . 11042 1 840 . 1 1 65 65 LEU CD1 C 13 26.280 0.300 . 2 . . . . 65 LEU CD1 . 11042 1 841 . 1 1 65 65 LEU HD11 H 1 0.998 0.030 . 1 . . . . 65 LEU HD1 . 11042 1 842 . 1 1 65 65 LEU HD12 H 1 0.998 0.030 . 1 . . . . 65 LEU HD1 . 11042 1 843 . 1 1 65 65 LEU HD13 H 1 0.998 0.030 . 1 . . . . 65 LEU HD1 . 11042 1 844 . 1 1 65 65 LEU CD2 C 13 25.905 0.300 . 2 . . . . 65 LEU CD2 . 11042 1 845 . 1 1 65 65 LEU HD21 H 1 0.977 0.030 . 1 . . . . 65 LEU HD2 . 11042 1 846 . 1 1 65 65 LEU HD22 H 1 0.977 0.030 . 1 . . . . 65 LEU HD2 . 11042 1 847 . 1 1 65 65 LEU HD23 H 1 0.977 0.030 . 1 . . . . 65 LEU HD2 . 11042 1 848 . 1 1 65 65 LEU C C 13 175.468 0.300 . 1 . . . . 65 LEU C . 11042 1 849 . 1 1 66 66 ILE N N 15 124.338 0.300 . 1 . . . . 66 ILE N . 11042 1 850 . 1 1 66 66 ILE H H 1 8.849 0.030 . 1 . . . . 66 ILE H . 11042 1 851 . 1 1 66 66 ILE CA C 13 59.677 0.300 . 1 . . . . 66 ILE CA . 11042 1 852 . 1 1 66 66 ILE HA H 1 4.964 0.030 . 1 . . . . 66 ILE HA . 11042 1 853 . 1 1 66 66 ILE CB C 13 37.155 0.300 . 1 . . . . 66 ILE CB . 11042 1 854 . 1 1 66 66 ILE HB H 1 1.901 0.030 . 1 . . . . 66 ILE HB . 11042 1 855 . 1 1 66 66 ILE CG1 C 13 27.237 0.300 . 1 . . . . 66 ILE CG1 . 11042 1 856 . 1 1 66 66 ILE HG12 H 1 1.224 0.030 . 2 . . . . 66 ILE HG12 . 11042 1 857 . 1 1 66 66 ILE HG13 H 1 1.310 0.030 . 2 . . . . 66 ILE HG13 . 11042 1 858 . 1 1 66 66 ILE CG2 C 13 17.565 0.300 . 1 . . . . 66 ILE CG2 . 11042 1 859 . 1 1 66 66 ILE HG21 H 1 0.852 0.030 . 1 . . . . 66 ILE HG2 . 11042 1 860 . 1 1 66 66 ILE HG22 H 1 0.852 0.030 . 1 . . . . 66 ILE HG2 . 11042 1 861 . 1 1 66 66 ILE HG23 H 1 0.852 0.030 . 1 . . . . 66 ILE HG2 . 11042 1 862 . 1 1 66 66 ILE CD1 C 13 11.219 0.300 . 1 . . . . 66 ILE CD1 . 11042 1 863 . 1 1 66 66 ILE HD11 H 1 0.664 0.030 . 1 . . . . 66 ILE HD1 . 11042 1 864 . 1 1 66 66 ILE HD12 H 1 0.664 0.030 . 1 . . . . 66 ILE HD1 . 11042 1 865 . 1 1 66 66 ILE HD13 H 1 0.664 0.030 . 1 . . . . 66 ILE HD1 . 11042 1 866 . 1 1 66 66 ILE C C 13 176.418 0.300 . 1 . . . . 66 ILE C . 11042 1 867 . 1 1 67 67 CYS N N 15 123.550 0.300 . 1 . . . . 67 CYS N . 11042 1 868 . 1 1 67 67 CYS H H 1 9.789 0.030 . 1 . . . . 67 CYS H . 11042 1 869 . 1 1 67 67 CYS CA C 13 56.935 0.300 . 1 . . . . 67 CYS CA . 11042 1 870 . 1 1 67 67 CYS HA H 1 5.701 0.030 . 1 . . . . 67 CYS HA . 11042 1 871 . 1 1 67 67 CYS CB C 13 33.286 0.300 . 1 . . . . 67 CYS CB . 11042 1 872 . 1 1 67 67 CYS HB2 H 1 2.789 0.030 . 2 . . . . 67 CYS HB2 . 11042 1 873 . 1 1 67 67 CYS HB3 H 1 2.700 0.030 . 2 . . . . 67 CYS HB3 . 11042 1 874 . 1 1 67 67 CYS C C 13 172.489 0.300 . 1 . . . . 67 CYS C . 11042 1 875 . 1 1 68 68 HIS N N 15 123.946 0.300 . 1 . . . . 68 HIS N . 11042 1 876 . 1 1 68 68 HIS H H 1 9.971 0.030 . 1 . . . . 68 HIS H . 11042 1 877 . 1 1 68 68 HIS CA C 13 53.563 0.300 . 1 . . . . 68 HIS CA . 11042 1 878 . 1 1 68 68 HIS HA H 1 5.360 0.030 . 1 . . . . 68 HIS HA . 11042 1 879 . 1 1 68 68 HIS CB C 13 33.870 0.300 . 1 . . . . 68 HIS CB . 11042 1 880 . 1 1 68 68 HIS HB2 H 1 3.381 0.030 . 2 . . . . 68 HIS HB2 . 11042 1 881 . 1 1 68 68 HIS HB3 H 1 3.025 0.030 . 2 . . . . 68 HIS HB3 . 11042 1 882 . 1 1 68 68 HIS HD2 H 1 6.902 0.030 . 1 . . . . 68 HIS HD2 . 11042 1 883 . 1 1 68 68 HIS CE1 C 13 138.950 0.300 . 1 . . . . 68 HIS CE1 . 11042 1 884 . 1 1 68 68 HIS HE1 H 1 7.792 0.030 . 1 . . . . 68 HIS HE1 . 11042 1 885 . 1 1 68 68 HIS C C 13 174.450 0.300 . 1 . . . . 68 HIS C . 11042 1 886 . 1 1 69 69 ILE N N 15 128.249 0.300 . 1 . . . . 69 ILE N . 11042 1 887 . 1 1 69 69 ILE H H 1 9.157 0.030 . 1 . . . . 69 ILE H . 11042 1 888 . 1 1 69 69 ILE CA C 13 62.415 0.300 . 1 . . . . 69 ILE CA . 11042 1 889 . 1 1 69 69 ILE HA H 1 4.104 0.030 . 1 . . . . 69 ILE HA . 11042 1 890 . 1 1 69 69 ILE CB C 13 37.042 0.300 . 1 . . . . 69 ILE CB . 11042 1 891 . 1 1 69 69 ILE HB H 1 1.820 0.030 . 1 . . . . 69 ILE HB . 11042 1 892 . 1 1 69 69 ILE CG1 C 13 27.974 0.300 . 1 . . . . 69 ILE CG1 . 11042 1 893 . 1 1 69 69 ILE HG12 H 1 0.828 0.030 . 2 . . . . 69 ILE HG12 . 11042 1 894 . 1 1 69 69 ILE HG13 H 1 1.329 0.030 . 2 . . . . 69 ILE HG13 . 11042 1 895 . 1 1 69 69 ILE CG2 C 13 19.084 0.300 . 1 . . . . 69 ILE CG2 . 11042 1 896 . 1 1 69 69 ILE HG21 H 1 0.647 0.030 . 1 . . . . 69 ILE HG2 . 11042 1 897 . 1 1 69 69 ILE HG22 H 1 0.647 0.030 . 1 . . . . 69 ILE HG2 . 11042 1 898 . 1 1 69 69 ILE HG23 H 1 0.647 0.030 . 1 . . . . 69 ILE HG2 . 11042 1 899 . 1 1 69 69 ILE CD1 C 13 12.962 0.300 . 1 . . . . 69 ILE CD1 . 11042 1 900 . 1 1 69 69 ILE HD11 H 1 0.135 0.030 . 1 . . . . 69 ILE HD1 . 11042 1 901 . 1 1 69 69 ILE HD12 H 1 0.135 0.030 . 1 . . . . 69 ILE HD1 . 11042 1 902 . 1 1 69 69 ILE HD13 H 1 0.135 0.030 . 1 . . . . 69 ILE HD1 . 11042 1 903 . 1 1 69 69 ILE C C 13 173.639 0.300 . 1 . . . . 69 ILE C . 11042 1 904 . 1 1 70 70 GLN N N 15 129.148 0.300 . 1 . . . . 70 GLN N . 11042 1 905 . 1 1 70 70 GLN H H 1 8.932 0.030 . 1 . . . . 70 GLN H . 11042 1 906 . 1 1 70 70 GLN CA C 13 53.751 0.300 . 1 . . . . 70 GLN CA . 11042 1 907 . 1 1 70 70 GLN HA H 1 4.405 0.030 . 1 . . . . 70 GLN HA . 11042 1 908 . 1 1 70 70 GLN CB C 13 27.855 0.300 . 1 . . . . 70 GLN CB . 11042 1 909 . 1 1 70 70 GLN HB2 H 1 2.129 0.030 . 2 . . . . 70 GLN HB2 . 11042 1 910 . 1 1 70 70 GLN HB3 H 1 2.092 0.030 . 2 . . . . 70 GLN HB3 . 11042 1 911 . 1 1 70 70 GLN CG C 13 32.464 0.300 . 1 . . . . 70 GLN CG . 11042 1 912 . 1 1 70 70 GLN HG2 H 1 1.734 0.030 . 2 . . . . 70 GLN HG2 . 11042 1 913 . 1 1 70 70 GLN HG3 H 1 1.354 0.030 . 2 . . . . 70 GLN HG3 . 11042 1 914 . 1 1 70 70 GLN NE2 N 15 108.059 0.300 . 1 . . . . 70 GLN NE2 . 11042 1 915 . 1 1 70 70 GLN HE21 H 1 6.446 0.030 . 2 . . . . 70 GLN HE21 . 11042 1 916 . 1 1 70 70 GLN HE22 H 1 6.526 0.030 . 2 . . . . 70 GLN HE22 . 11042 1 917 . 1 1 70 70 GLN C C 13 176.072 0.300 . 1 . . . . 70 GLN C . 11042 1 918 . 1 1 71 71 ASP N N 15 122.940 0.300 . 1 . . . . 71 ASP N . 11042 1 919 . 1 1 71 71 ASP H H 1 8.196 0.030 . 1 . . . . 71 ASP H . 11042 1 920 . 1 1 71 71 ASP CA C 13 58.694 0.300 . 1 . . . . 71 ASP CA . 11042 1 921 . 1 1 71 71 ASP HA H 1 4.417 0.030 . 1 . . . . 71 ASP HA . 11042 1 922 . 1 1 71 71 ASP CB C 13 41.376 0.300 . 1 . . . . 71 ASP CB . 11042 1 923 . 1 1 71 71 ASP HB2 H 1 2.763 0.030 . 2 . . . . 71 ASP HB2 . 11042 1 924 . 1 1 71 71 ASP HB3 H 1 2.546 0.030 . 2 . . . . 71 ASP HB3 . 11042 1 925 . 1 1 71 71 ASP C C 13 178.794 0.300 . 1 . . . . 71 ASP C . 11042 1 926 . 1 1 72 72 ARG N N 15 121.118 0.300 . 1 . . . . 72 ARG N . 11042 1 927 . 1 1 72 72 ARG H H 1 8.882 0.030 . 1 . . . . 72 ARG H . 11042 1 928 . 1 1 72 72 ARG CA C 13 59.458 0.300 . 1 . . . . 72 ARG CA . 11042 1 929 . 1 1 72 72 ARG HA H 1 3.968 0.030 . 1 . . . . 72 ARG HA . 11042 1 930 . 1 1 72 72 ARG CB C 13 29.101 0.300 . 1 . . . . 72 ARG CB . 11042 1 931 . 1 1 72 72 ARG HB2 H 1 1.823 0.030 . 1 . . . . 72 ARG HB2 . 11042 1 932 . 1 1 72 72 ARG HB3 H 1 1.823 0.030 . 1 . . . . 72 ARG HB3 . 11042 1 933 . 1 1 72 72 ARG CG C 13 27.269 0.300 . 1 . . . . 72 ARG CG . 11042 1 934 . 1 1 72 72 ARG HG2 H 1 1.683 0.030 . 2 . . . . 72 ARG HG2 . 11042 1 935 . 1 1 72 72 ARG HG3 H 1 1.555 0.030 . 2 . . . . 72 ARG HG3 . 11042 1 936 . 1 1 72 72 ARG CD C 13 43.264 0.300 . 1 . . . . 72 ARG CD . 11042 1 937 . 1 1 72 72 ARG HD2 H 1 3.201 0.030 . 1 . . . . 72 ARG HD2 . 11042 1 938 . 1 1 72 72 ARG HD3 H 1 3.201 0.030 . 1 . . . . 72 ARG HD3 . 11042 1 939 . 1 1 72 72 ARG C C 13 177.678 0.300 . 1 . . . . 72 ARG C . 11042 1 940 . 1 1 73 73 GLU N N 15 115.748 0.300 . 1 . . . . 73 GLU N . 11042 1 941 . 1 1 73 73 GLU H H 1 7.748 0.030 . 1 . . . . 73 GLU H . 11042 1 942 . 1 1 73 73 GLU CA C 13 56.473 0.300 . 1 . . . . 73 GLU CA . 11042 1 943 . 1 1 73 73 GLU HA H 1 4.144 0.030 . 1 . . . . 73 GLU HA . 11042 1 944 . 1 1 73 73 GLU CB C 13 28.665 0.300 . 1 . . . . 73 GLU CB . 11042 1 945 . 1 1 73 73 GLU HB2 H 1 2.102 0.030 . 2 . . . . 73 GLU HB2 . 11042 1 946 . 1 1 73 73 GLU HB3 H 1 1.724 0.030 . 2 . . . . 73 GLU HB3 . 11042 1 947 . 1 1 73 73 GLU CG C 13 36.660 0.300 . 1 . . . . 73 GLU CG . 11042 1 948 . 1 1 73 73 GLU HG2 H 1 2.301 0.030 . 2 . . . . 73 GLU HG2 . 11042 1 949 . 1 1 73 73 GLU HG3 H 1 2.092 0.030 . 2 . . . . 73 GLU HG3 . 11042 1 950 . 1 1 73 73 GLU C C 13 175.215 0.300 . 1 . . . . 73 GLU C . 11042 1 951 . 1 1 74 74 ALA N N 15 126.769 0.300 . 1 . . . . 74 ALA N . 11042 1 952 . 1 1 74 74 ALA H H 1 7.767 0.030 . 1 . . . . 74 ALA H . 11042 1 953 . 1 1 74 74 ALA CA C 13 52.227 0.300 . 1 . . . . 74 ALA CA . 11042 1 954 . 1 1 74 74 ALA HA H 1 2.439 0.030 . 1 . . . . 74 ALA HA . 11042 1 955 . 1 1 74 74 ALA CB C 13 17.152 0.300 . 1 . . . . 74 ALA CB . 11042 1 956 . 1 1 74 74 ALA HB1 H 1 0.893 0.030 . 1 . . . . 74 ALA HB . 11042 1 957 . 1 1 74 74 ALA HB2 H 1 0.893 0.030 . 1 . . . . 74 ALA HB . 11042 1 958 . 1 1 74 74 ALA HB3 H 1 0.893 0.030 . 1 . . . . 74 ALA HB . 11042 1 959 . 1 1 74 74 ALA C C 13 175.121 0.300 . 1 . . . . 74 ALA C . 11042 1 960 . 1 1 75 75 THR N N 15 113.379 0.300 . 1 . . . . 75 THR N . 11042 1 961 . 1 1 75 75 THR H H 1 7.815 0.030 . 1 . . . . 75 THR H . 11042 1 962 . 1 1 75 75 THR CA C 13 62.037 0.300 . 1 . . . . 75 THR CA . 11042 1 963 . 1 1 75 75 THR HA H 1 5.087 0.030 . 1 . . . . 75 THR HA . 11042 1 964 . 1 1 75 75 THR CB C 13 73.849 0.300 . 1 . . . . 75 THR CB . 11042 1 965 . 1 1 75 75 THR HB H 1 3.750 0.030 . 1 . . . . 75 THR HB . 11042 1 966 . 1 1 75 75 THR CG2 C 13 20.420 0.300 . 1 . . . . 75 THR CG2 . 11042 1 967 . 1 1 75 75 THR HG21 H 1 0.925 0.030 . 1 . . . . 75 THR HG2 . 11042 1 968 . 1 1 75 75 THR HG22 H 1 0.925 0.030 . 1 . . . . 75 THR HG2 . 11042 1 969 . 1 1 75 75 THR HG23 H 1 0.925 0.030 . 1 . . . . 75 THR HG2 . 11042 1 970 . 1 1 75 75 THR C C 13 172.329 0.300 . 1 . . . . 75 THR C . 11042 1 971 . 1 1 76 76 VAL N N 15 128.636 0.300 . 1 . . . . 76 VAL N . 11042 1 972 . 1 1 76 76 VAL H H 1 9.633 0.030 . 1 . . . . 76 VAL H . 11042 1 973 . 1 1 76 76 VAL CA C 13 62.769 0.300 . 1 . . . . 76 VAL CA . 11042 1 974 . 1 1 76 76 VAL HA H 1 4.102 0.030 . 1 . . . . 76 VAL HA . 11042 1 975 . 1 1 76 76 VAL CB C 13 32.553 0.300 . 1 . . . . 76 VAL CB . 11042 1 976 . 1 1 76 76 VAL HB H 1 2.136 0.030 . 1 . . . . 76 VAL HB . 11042 1 977 . 1 1 76 76 VAL CG1 C 13 20.844 0.300 . 2 . . . . 76 VAL CG1 . 11042 1 978 . 1 1 76 76 VAL HG11 H 1 0.773 0.030 . 1 . . . . 76 VAL HG1 . 11042 1 979 . 1 1 76 76 VAL HG12 H 1 0.773 0.030 . 1 . . . . 76 VAL HG1 . 11042 1 980 . 1 1 76 76 VAL HG13 H 1 0.773 0.030 . 1 . . . . 76 VAL HG1 . 11042 1 981 . 1 1 76 76 VAL CG2 C 13 21.513 0.300 . 2 . . . . 76 VAL CG2 . 11042 1 982 . 1 1 76 76 VAL HG21 H 1 0.803 0.030 . 1 . . . . 76 VAL HG2 . 11042 1 983 . 1 1 76 76 VAL HG22 H 1 0.803 0.030 . 1 . . . . 76 VAL HG2 . 11042 1 984 . 1 1 76 76 VAL HG23 H 1 0.803 0.030 . 1 . . . . 76 VAL HG2 . 11042 1 985 . 1 1 76 76 VAL C C 13 172.203 0.300 . 1 . . . . 76 VAL C . 11042 1 986 . 1 1 77 77 LEU N N 15 129.490 0.300 . 1 . . . . 77 LEU N . 11042 1 987 . 1 1 77 77 LEU H H 1 8.632 0.030 . 1 . . . . 77 LEU H . 11042 1 988 . 1 1 77 77 LEU CA C 13 52.730 0.300 . 1 . . . . 77 LEU CA . 11042 1 989 . 1 1 77 77 LEU HA H 1 4.934 0.030 . 1 . . . . 77 LEU HA . 11042 1 990 . 1 1 77 77 LEU CB C 13 43.940 0.300 . 1 . . . . 77 LEU CB . 11042 1 991 . 1 1 77 77 LEU HB2 H 1 2.198 0.030 . 2 . . . . 77 LEU HB2 . 11042 1 992 . 1 1 77 77 LEU HB3 H 1 1.235 0.030 . 2 . . . . 77 LEU HB3 . 11042 1 993 . 1 1 77 77 LEU CG C 13 27.655 0.300 . 1 . . . . 77 LEU CG . 11042 1 994 . 1 1 77 77 LEU HG H 1 1.317 0.030 . 1 . . . . 77 LEU HG . 11042 1 995 . 1 1 77 77 LEU CD1 C 13 26.735 0.300 . 2 . . . . 77 LEU CD1 . 11042 1 996 . 1 1 77 77 LEU HD11 H 1 1.000 0.030 . 1 . . . . 77 LEU HD1 . 11042 1 997 . 1 1 77 77 LEU HD12 H 1 1.000 0.030 . 1 . . . . 77 LEU HD1 . 11042 1 998 . 1 1 77 77 LEU HD13 H 1 1.000 0.030 . 1 . . . . 77 LEU HD1 . 11042 1 999 . 1 1 77 77 LEU CD2 C 13 23.820 0.300 . 2 . . . . 77 LEU CD2 . 11042 1 1000 . 1 1 77 77 LEU HD21 H 1 0.777 0.030 . 1 . . . . 77 LEU HD2 . 11042 1 1001 . 1 1 77 77 LEU HD22 H 1 0.777 0.030 . 1 . . . . 77 LEU HD2 . 11042 1 1002 . 1 1 77 77 LEU HD23 H 1 0.777 0.030 . 1 . . . . 77 LEU HD2 . 11042 1 1003 . 1 1 77 77 LEU C C 13 176.092 0.300 . 1 . . . . 77 LEU C . 11042 1 1004 . 1 1 78 78 VAL N N 15 129.357 0.300 . 1 . . . . 78 VAL N . 11042 1 1005 . 1 1 78 78 VAL H H 1 9.453 0.030 . 1 . . . . 78 VAL H . 11042 1 1006 . 1 1 78 78 VAL CA C 13 63.227 0.300 . 1 . . . . 78 VAL CA . 11042 1 1007 . 1 1 78 78 VAL HA H 1 4.093 0.030 . 1 . . . . 78 VAL HA . 11042 1 1008 . 1 1 78 78 VAL CB C 13 31.598 0.300 . 1 . . . . 78 VAL CB . 11042 1 1009 . 1 1 78 78 VAL HB H 1 1.588 0.030 . 1 . . . . 78 VAL HB . 11042 1 1010 . 1 1 78 78 VAL CG1 C 13 21.868 0.300 . 2 . . . . 78 VAL CG1 . 11042 1 1011 . 1 1 78 78 VAL HG11 H 1 0.734 0.030 . 1 . . . . 78 VAL HG1 . 11042 1 1012 . 1 1 78 78 VAL HG12 H 1 0.734 0.030 . 1 . . . . 78 VAL HG1 . 11042 1 1013 . 1 1 78 78 VAL HG13 H 1 0.734 0.030 . 1 . . . . 78 VAL HG1 . 11042 1 1014 . 1 1 78 78 VAL CG2 C 13 20.292 0.300 . 2 . . . . 78 VAL CG2 . 11042 1 1015 . 1 1 78 78 VAL HG21 H 1 0.529 0.030 . 1 . . . . 78 VAL HG2 . 11042 1 1016 . 1 1 78 78 VAL HG22 H 1 0.529 0.030 . 1 . . . . 78 VAL HG2 . 11042 1 1017 . 1 1 78 78 VAL HG23 H 1 0.529 0.030 . 1 . . . . 78 VAL HG2 . 11042 1 1018 . 1 1 78 78 VAL C C 13 174.755 0.300 . 1 . . . . 78 VAL C . 11042 1 1019 . 1 1 79 79 LEU N N 15 127.507 0.300 . 1 . . . . 79 LEU N . 11042 1 1020 . 1 1 79 79 LEU H H 1 9.320 0.030 . 1 . . . . 79 LEU H . 11042 1 1021 . 1 1 79 79 LEU CA C 13 56.599 0.300 . 1 . . . . 79 LEU CA . 11042 1 1022 . 1 1 79 79 LEU HA H 1 4.436 0.030 . 1 . . . . 79 LEU HA . 11042 1 1023 . 1 1 79 79 LEU CB C 13 44.095 0.300 . 1 . . . . 79 LEU CB . 11042 1 1024 . 1 1 79 79 LEU HB2 H 1 1.562 0.030 . 2 . . . . 79 LEU HB2 . 11042 1 1025 . 1 1 79 79 LEU HB3 H 1 1.442 0.030 . 2 . . . . 79 LEU HB3 . 11042 1 1026 . 1 1 79 79 LEU CG C 13 26.737 0.300 . 1 . . . . 79 LEU CG . 11042 1 1027 . 1 1 79 79 LEU HG H 1 1.723 0.030 . 1 . . . . 79 LEU HG . 11042 1 1028 . 1 1 79 79 LEU CD1 C 13 23.053 0.300 . 2 . . . . 79 LEU CD1 . 11042 1 1029 . 1 1 79 79 LEU HD11 H 1 0.885 0.030 . 1 . . . . 79 LEU HD1 . 11042 1 1030 . 1 1 79 79 LEU HD12 H 1 0.885 0.030 . 1 . . . . 79 LEU HD1 . 11042 1 1031 . 1 1 79 79 LEU HD13 H 1 0.885 0.030 . 1 . . . . 79 LEU HD1 . 11042 1 1032 . 1 1 79 79 LEU CD2 C 13 26.460 0.300 . 2 . . . . 79 LEU CD2 . 11042 1 1033 . 1 1 79 79 LEU HD21 H 1 0.631 0.030 . 1 . . . . 79 LEU HD2 . 11042 1 1034 . 1 1 79 79 LEU HD22 H 1 0.631 0.030 . 1 . . . . 79 LEU HD2 . 11042 1 1035 . 1 1 79 79 LEU HD23 H 1 0.631 0.030 . 1 . . . . 79 LEU HD2 . 11042 1 1036 . 1 1 79 79 LEU C C 13 177.788 0.300 . 1 . . . . 79 LEU C . 11042 1 1037 . 1 1 80 80 ARG N N 15 114.944 0.300 . 1 . . . . 80 ARG N . 11042 1 1038 . 1 1 80 80 ARG H H 1 7.801 0.030 . 1 . . . . 80 ARG H . 11042 1 1039 . 1 1 80 80 ARG CA C 13 53.831 0.300 . 1 . . . . 80 ARG CA . 11042 1 1040 . 1 1 80 80 ARG HA H 1 5.079 0.030 . 1 . . . . 80 ARG HA . 11042 1 1041 . 1 1 80 80 ARG CB C 13 34.455 0.300 . 1 . . . . 80 ARG CB . 11042 1 1042 . 1 1 80 80 ARG HB2 H 1 1.854 0.030 . 2 . . . . 80 ARG HB2 . 11042 1 1043 . 1 1 80 80 ARG HB3 H 1 1.602 0.030 . 2 . . . . 80 ARG HB3 . 11042 1 1044 . 1 1 80 80 ARG CG C 13 26.252 0.300 . 1 . . . . 80 ARG CG . 11042 1 1045 . 1 1 80 80 ARG HG2 H 1 1.665 0.030 . 2 . . . . 80 ARG HG2 . 11042 1 1046 . 1 1 80 80 ARG HG3 H 1 1.378 0.030 . 2 . . . . 80 ARG HG3 . 11042 1 1047 . 1 1 80 80 ARG CD C 13 42.400 0.300 . 1 . . . . 80 ARG CD . 11042 1 1048 . 1 1 80 80 ARG HD2 H 1 3.305 0.030 . 2 . . . . 80 ARG HD2 . 11042 1 1049 . 1 1 80 80 ARG HD3 H 1 3.133 0.030 . 2 . . . . 80 ARG HD3 . 11042 1 1050 . 1 1 80 80 ARG C C 13 174.797 0.300 . 1 . . . . 80 ARG C . 11042 1 1051 . 1 1 81 81 VAL N N 15 122.431 0.300 . 1 . . . . 81 VAL N . 11042 1 1052 . 1 1 81 81 VAL H H 1 9.359 0.030 . 1 . . . . 81 VAL H . 11042 1 1053 . 1 1 81 81 VAL CA C 13 60.694 0.300 . 1 . . . . 81 VAL CA . 11042 1 1054 . 1 1 81 81 VAL HA H 1 4.924 0.030 . 1 . . . . 81 VAL HA . 11042 1 1055 . 1 1 81 81 VAL CB C 13 34.214 0.300 . 1 . . . . 81 VAL CB . 11042 1 1056 . 1 1 81 81 VAL HB H 1 2.090 0.030 . 1 . . . . 81 VAL HB . 11042 1 1057 . 1 1 81 81 VAL CG1 C 13 21.629 0.300 . 2 . . . . 81 VAL CG1 . 11042 1 1058 . 1 1 81 81 VAL HG11 H 1 0.954 0.030 . 1 . . . . 81 VAL HG1 . 11042 1 1059 . 1 1 81 81 VAL HG12 H 1 0.954 0.030 . 1 . . . . 81 VAL HG1 . 11042 1 1060 . 1 1 81 81 VAL HG13 H 1 0.954 0.030 . 1 . . . . 81 VAL HG1 . 11042 1 1061 . 1 1 81 81 VAL CG2 C 13 21.264 0.300 . 2 . . . . 81 VAL CG2 . 11042 1 1062 . 1 1 81 81 VAL HG21 H 1 1.004 0.030 . 1 . . . . 81 VAL HG2 . 11042 1 1063 . 1 1 81 81 VAL HG22 H 1 1.004 0.030 . 1 . . . . 81 VAL HG2 . 11042 1 1064 . 1 1 81 81 VAL HG23 H 1 1.004 0.030 . 1 . . . . 81 VAL HG2 . 11042 1 1065 . 1 1 81 81 VAL C C 13 174.505 0.300 . 1 . . . . 81 VAL C . 11042 1 1066 . 1 1 82 82 GLY N N 15 110.542 0.300 . 1 . . . . 82 GLY N . 11042 1 1067 . 1 1 82 82 GLY H H 1 8.544 0.030 . 1 . . . . 82 GLY H . 11042 1 1068 . 1 1 82 82 GLY CA C 13 45.213 0.300 . 1 . . . . 82 GLY CA . 11042 1 1069 . 1 1 82 82 GLY HA2 H 1 4.438 0.030 . 2 . . . . 82 GLY HA2 . 11042 1 1070 . 1 1 82 82 GLY HA3 H 1 4.080 0.030 . 2 . . . . 82 GLY HA3 . 11042 1 1071 . 1 1 82 82 GLY C C 13 171.494 0.300 . 1 . . . . 82 GLY C . 11042 1 1072 . 1 1 83 83 HIS N N 15 122.755 0.300 . 1 . . . . 83 HIS N . 11042 1 1073 . 1 1 83 83 HIS H H 1 9.240 0.030 . 1 . . . . 83 HIS H . 11042 1 1074 . 1 1 83 83 HIS CA C 13 58.070 0.300 . 1 . . . . 83 HIS CA . 11042 1 1075 . 1 1 83 83 HIS HA H 1 3.994 0.030 . 1 . . . . 83 HIS HA . 11042 1 1076 . 1 1 83 83 HIS CB C 13 31.848 0.300 . 1 . . . . 83 HIS CB . 11042 1 1077 . 1 1 83 83 HIS HB2 H 1 2.887 0.030 . 1 . . . . 83 HIS HB2 . 11042 1 1078 . 1 1 83 83 HIS HB3 H 1 2.887 0.030 . 1 . . . . 83 HIS HB3 . 11042 1 1079 . 1 1 83 83 HIS CD2 C 13 117.898 0.300 . 1 . . . . 83 HIS CD2 . 11042 1 1080 . 1 1 83 83 HIS HD2 H 1 6.579 0.030 . 1 . . . . 83 HIS HD2 . 11042 1 1081 . 1 1 83 83 HIS CE1 C 13 137.640 0.300 . 1 . . . . 83 HIS CE1 . 11042 1 1082 . 1 1 83 83 HIS HE1 H 1 7.667 0.030 . 1 . . . . 83 HIS HE1 . 11042 1 1083 . 1 1 83 83 HIS C C 13 176.125 0.300 . 1 . . . . 83 HIS C . 11042 1 1084 . 1 1 84 84 ALA N N 15 129.416 0.300 . 1 . . . . 84 ALA N . 11042 1 1085 . 1 1 84 84 ALA H H 1 8.258 0.030 . 1 . . . . 84 ALA H . 11042 1 1086 . 1 1 84 84 ALA CA C 13 54.843 0.300 . 1 . . . . 84 ALA CA . 11042 1 1087 . 1 1 84 84 ALA HA H 1 3.817 0.030 . 1 . . . . 84 ALA HA . 11042 1 1088 . 1 1 84 84 ALA CB C 13 18.375 0.300 . 1 . . . . 84 ALA CB . 11042 1 1089 . 1 1 84 84 ALA HB1 H 1 1.113 0.030 . 1 . . . . 84 ALA HB . 11042 1 1090 . 1 1 84 84 ALA HB2 H 1 1.113 0.030 . 1 . . . . 84 ALA HB . 11042 1 1091 . 1 1 84 84 ALA HB3 H 1 1.113 0.030 . 1 . . . . 84 ALA HB . 11042 1 1092 . 1 1 84 84 ALA C C 13 178.461 0.300 . 1 . . . . 84 ALA C . 11042 1 1093 . 1 1 85 85 ARG N N 15 118.855 0.300 . 1 . . . . 85 ARG N . 11042 1 1094 . 1 1 85 85 ARG H H 1 10.419 0.030 . 1 . . . . 85 ARG H . 11042 1 1095 . 1 1 85 85 ARG CA C 13 57.323 0.300 . 1 . . . . 85 ARG CA . 11042 1 1096 . 1 1 85 85 ARG HA H 1 4.219 0.030 . 1 . . . . 85 ARG HA . 11042 1 1097 . 1 1 85 85 ARG CB C 13 30.287 0.300 . 1 . . . . 85 ARG CB . 11042 1 1098 . 1 1 85 85 ARG HB2 H 1 1.845 0.030 . 1 . . . . 85 ARG HB2 . 11042 1 1099 . 1 1 85 85 ARG HB3 H 1 1.845 0.030 . 1 . . . . 85 ARG HB3 . 11042 1 1100 . 1 1 85 85 ARG CG C 13 27.099 0.300 . 1 . . . . 85 ARG CG . 11042 1 1101 . 1 1 85 85 ARG HG2 H 1 1.554 0.030 . 1 . . . . 85 ARG HG2 . 11042 1 1102 . 1 1 85 85 ARG HG3 H 1 1.554 0.030 . 1 . . . . 85 ARG HG3 . 11042 1 1103 . 1 1 85 85 ARG CD C 13 43.367 0.300 . 1 . . . . 85 ARG CD . 11042 1 1104 . 1 1 85 85 ARG HD2 H 1 3.005 0.030 . 1 . . . . 85 ARG HD2 . 11042 1 1105 . 1 1 85 85 ARG HD3 H 1 3.005 0.030 . 1 . . . . 85 ARG HD3 . 11042 1 1106 . 1 1 85 85 ARG C C 13 176.589 0.300 . 1 . . . . 85 ARG C . 11042 1 1107 . 1 1 86 86 ASP N N 15 119.697 0.300 . 1 . . . . 86 ASP N . 11042 1 1108 . 1 1 86 86 ASP H H 1 7.979 0.030 . 1 . . . . 86 ASP H . 11042 1 1109 . 1 1 86 86 ASP CA C 13 54.829 0.300 . 1 . . . . 86 ASP CA . 11042 1 1110 . 1 1 86 86 ASP HA H 1 4.671 0.030 . 1 . . . . 86 ASP HA . 11042 1 1111 . 1 1 86 86 ASP CB C 13 42.013 0.300 . 1 . . . . 86 ASP CB . 11042 1 1112 . 1 1 86 86 ASP HB2 H 1 2.666 0.030 . 1 . . . . 86 ASP HB2 . 11042 1 1113 . 1 1 86 86 ASP HB3 H 1 2.666 0.030 . 1 . . . . 86 ASP HB3 . 11042 1 1114 . 1 1 86 86 ASP C C 13 176.246 0.300 . 1 . . . . 86 ASP C . 11042 1 1115 . 1 1 87 87 VAL N N 15 118.397 0.300 . 1 . . . . 87 VAL N . 11042 1 1116 . 1 1 87 87 VAL H H 1 7.752 0.030 . 1 . . . . 87 VAL H . 11042 1 1117 . 1 1 87 87 VAL CA C 13 62.420 0.300 . 1 . . . . 87 VAL CA . 11042 1 1118 . 1 1 87 87 VAL HA H 1 4.000 0.030 . 1 . . . . 87 VAL HA . 11042 1 1119 . 1 1 87 87 VAL CB C 13 32.547 0.300 . 1 . . . . 87 VAL CB . 11042 1 1120 . 1 1 87 87 VAL HB H 1 1.869 0.030 . 1 . . . . 87 VAL HB . 11042 1 1121 . 1 1 87 87 VAL CG1 C 13 21.077 0.300 . 2 . . . . 87 VAL CG1 . 11042 1 1122 . 1 1 87 87 VAL HG11 H 1 0.691 0.030 . 1 . . . . 87 VAL HG1 . 11042 1 1123 . 1 1 87 87 VAL HG12 H 1 0.691 0.030 . 1 . . . . 87 VAL HG1 . 11042 1 1124 . 1 1 87 87 VAL HG13 H 1 0.691 0.030 . 1 . . . . 87 VAL HG1 . 11042 1 1125 . 1 1 87 87 VAL CG2 C 13 20.209 0.300 . 2 . . . . 87 VAL CG2 . 11042 1 1126 . 1 1 87 87 VAL HG21 H 1 0.726 0.030 . 1 . . . . 87 VAL HG2 . 11042 1 1127 . 1 1 87 87 VAL HG22 H 1 0.726 0.030 . 1 . . . . 87 VAL HG2 . 11042 1 1128 . 1 1 87 87 VAL HG23 H 1 0.726 0.030 . 1 . . . . 87 VAL HG2 . 11042 1 1129 . 1 1 87 87 VAL C C 13 175.073 0.300 . 1 . . . . 87 VAL C . 11042 1 1130 . 1 1 88 88 TYR N N 15 122.893 0.300 . 1 . . . . 88 TYR N . 11042 1 1131 . 1 1 88 88 TYR H H 1 8.065 0.030 . 1 . . . . 88 TYR H . 11042 1 1132 . 1 1 88 88 TYR CA C 13 57.766 0.300 . 1 . . . . 88 TYR CA . 11042 1 1133 . 1 1 88 88 TYR HA H 1 4.521 0.030 . 1 . . . . 88 TYR HA . 11042 1 1134 . 1 1 88 88 TYR CB C 13 38.568 0.300 . 1 . . . . 88 TYR CB . 11042 1 1135 . 1 1 88 88 TYR HB2 H 1 3.046 0.030 . 2 . . . . 88 TYR HB2 . 11042 1 1136 . 1 1 88 88 TYR HB3 H 1 2.847 0.030 . 2 . . . . 88 TYR HB3 . 11042 1 1137 . 1 1 88 88 TYR CD1 C 13 133.098 0.300 . 1 . . . . 88 TYR CD1 . 11042 1 1138 . 1 1 88 88 TYR HD1 H 1 7.030 0.030 . 1 . . . . 88 TYR HD1 . 11042 1 1139 . 1 1 88 88 TYR CD2 C 13 133.098 0.300 . 1 . . . . 88 TYR CD2 . 11042 1 1140 . 1 1 88 88 TYR HD2 H 1 7.030 0.030 . 1 . . . . 88 TYR HD2 . 11042 1 1141 . 1 1 88 88 TYR CE1 C 13 118.207 0.300 . 1 . . . . 88 TYR CE1 . 11042 1 1142 . 1 1 88 88 TYR HE1 H 1 6.718 0.030 . 1 . . . . 88 TYR HE1 . 11042 1 1143 . 1 1 88 88 TYR CE2 C 13 118.207 0.300 . 1 . . . . 88 TYR CE2 . 11042 1 1144 . 1 1 88 88 TYR HE2 H 1 6.718 0.030 . 1 . . . . 88 TYR HE2 . 11042 1 1145 . 1 1 88 88 TYR C C 13 174.565 0.300 . 1 . . . . 88 TYR C . 11042 1 1146 . 1 1 89 89 ARG N N 15 127.037 0.300 . 1 . . . . 89 ARG N . 11042 1 1147 . 1 1 89 89 ARG H H 1 7.581 0.030 . 1 . . . . 89 ARG H . 11042 1 1148 . 1 1 89 89 ARG CA C 13 57.477 0.300 . 1 . . . . 89 ARG CA . 11042 1 1149 . 1 1 89 89 ARG HA H 1 4.071 0.030 . 1 . . . . 89 ARG HA . 11042 1 1150 . 1 1 89 89 ARG CB C 13 31.737 0.300 . 1 . . . . 89 ARG CB . 11042 1 1151 . 1 1 89 89 ARG HB2 H 1 1.767 0.030 . 2 . . . . 89 ARG HB2 . 11042 1 1152 . 1 1 89 89 ARG HB3 H 1 1.661 0.030 . 2 . . . . 89 ARG HB3 . 11042 1 1153 . 1 1 89 89 ARG CG C 13 27.099 0.300 . 1 . . . . 89 ARG CG . 11042 1 1154 . 1 1 89 89 ARG HG2 H 1 1.483 0.030 . 1 . . . . 89 ARG HG2 . 11042 1 1155 . 1 1 89 89 ARG HG3 H 1 1.483 0.030 . 1 . . . . 89 ARG HG3 . 11042 1 1156 . 1 1 89 89 ARG CD C 13 43.588 0.300 . 1 . . . . 89 ARG CD . 11042 1 1157 . 1 1 89 89 ARG HD2 H 1 3.138 0.030 . 1 . . . . 89 ARG HD2 . 11042 1 1158 . 1 1 89 89 ARG HD3 H 1 3.138 0.030 . 1 . . . . 89 ARG HD3 . 11042 1 1159 . 1 1 89 89 ARG C C 13 180.291 0.300 . 1 . . . . 89 ARG C . 11042 1 stop_ save_