data_11258 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11258 _Entry.Title ; Solution Structure of Mouse Hypothetical Protein 2900073H19RIK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _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 C. Zhao . . . 11258 2 K. Saito . . . 11258 3 S. Koshiba . . . 11258 4 M. Inoue . . . 11258 5 T. Kigawa . . . 11258 6 S. Yokoyama . . . 11258 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11258 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11258 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 11258 '15N chemical shifts' 110 11258 '1H chemical shifts' 763 11258 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 . . 2011-08-17 2010-08-09 original author . 11258 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGK 'BMRB Entry Tracking System' 11258 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11258 _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 'Solution Structure of Mouse Hypothetical Protein 2900073H19RIK' _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 C. Zhao . . . 11258 1 2 K. Saito . . . 11258 1 3 S. Koshiba . . . 11258 1 4 M. Inoue . . . 11258 1 5 T. Kigawa . . . 11258 1 6 S. Yokoyama . . . 11258 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11258 _Assembly.ID 1 _Assembly.Name 'RIKEN cDNA 2900073H19 protein' _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 'RIKEN cDNA 2900073H19 protein' 1 $entity_1 A . yes native no no . . . 11258 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wgk . . . . . . 11258 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11258 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ThiS domain' _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 ; GSSGSSGMAAPLCVKVEFGG GAELLFDGVKKHQVALPGQE EPWDIRNLLVWIKKNLLKER PELFIQGDSVRPGILVLIND ADWELLGELDYQLQDQDSIL FISTLHGGSGPSSG ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WGK . "Solution Structure Of Mouse Hypothetical Protein 2900073h19rik" . . . . . 100.00 114 100.00 100.00 6.30e-74 . . . . 11258 1 2 no PDB 1XO3 . "Solution Structure Of Ubiquitin Like Protein From Mus Musculus" . . . . . 87.72 101 100.00 100.00 6.09e-64 . . . . 11258 1 3 no DBJ BAB31673 . "unnamed protein product [Mus musculus]" . . . . . 88.60 101 100.00 100.00 9.04e-65 . . . . 11258 1 4 no DBJ BAC33621 . "unnamed protein product [Mus musculus]" . . . . . 88.60 101 99.01 99.01 7.17e-64 . . . . 11258 1 5 no DBJ BAC33956 . "unnamed protein product [Mus musculus]" . . . . . 88.60 101 100.00 100.00 9.04e-65 . . . . 11258 1 6 no GB AAH26994 . "Ubiquitin related modifier 1 homolog (S. cerevisiae) [Mus musculus]" . . . . . 88.60 101 100.00 100.00 9.04e-65 . . . . 11258 1 7 no GB AAI69094 . "Urm1 protein [Rattus norvegicus]" . . . . . 88.60 101 97.03 98.02 5.75e-63 . . . . 11258 1 8 no GB EDL08423 . "RIKEN cDNA 2900073H19, isoform CRA_a [Mus musculus]" . . . . . 88.60 101 100.00 100.00 9.04e-65 . . . . 11258 1 9 no REF NP_001131034 . "ubiquitin-related modifier 1 [Rattus norvegicus]" . . . . . 88.60 101 97.03 98.02 5.75e-63 . . . . 11258 1 10 no REF NP_080891 . "ubiquitin-related modifier 1 [Mus musculus]" . . . . . 88.60 101 100.00 100.00 9.04e-65 . . . . 11258 1 11 no REF XP_001500842 . "PREDICTED: ubiquitin-related modifier 1 homolog [Equus caballus]" . . . . . 88.60 101 97.03 98.02 2.06e-62 . . . . 11258 1 12 no REF XP_006154072 . "PREDICTED: ubiquitin-related modifier 1 isoform X1 [Tupaia chinensis]" . . . . . 78.07 115 97.75 98.88 1.50e-54 . . . . 11258 1 13 no REF XP_006181951 . "PREDICTED: ubiquitin-related modifier 1 [Camelus ferus]" . . . . . 88.60 101 97.03 98.02 2.06e-62 . . . . 11258 1 14 no SP Q9D2P4 . "RecName: Full=Ubiquitin-related modifier 1" . . . . . 88.60 101 100.00 100.00 9.04e-65 . . . . 11258 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ThiS domain' . 11258 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11258 1 2 . SER . 11258 1 3 . SER . 11258 1 4 . GLY . 11258 1 5 . SER . 11258 1 6 . SER . 11258 1 7 . GLY . 11258 1 8 . MET . 11258 1 9 . ALA . 11258 1 10 . ALA . 11258 1 11 . PRO . 11258 1 12 . LEU . 11258 1 13 . CYS . 11258 1 14 . VAL . 11258 1 15 . LYS . 11258 1 16 . VAL . 11258 1 17 . GLU . 11258 1 18 . PHE . 11258 1 19 . GLY . 11258 1 20 . GLY . 11258 1 21 . GLY . 11258 1 22 . ALA . 11258 1 23 . GLU . 11258 1 24 . LEU . 11258 1 25 . LEU . 11258 1 26 . PHE . 11258 1 27 . ASP . 11258 1 28 . GLY . 11258 1 29 . VAL . 11258 1 30 . LYS . 11258 1 31 . LYS . 11258 1 32 . HIS . 11258 1 33 . GLN . 11258 1 34 . VAL . 11258 1 35 . ALA . 11258 1 36 . LEU . 11258 1 37 . PRO . 11258 1 38 . GLY . 11258 1 39 . GLN . 11258 1 40 . GLU . 11258 1 41 . GLU . 11258 1 42 . PRO . 11258 1 43 . TRP . 11258 1 44 . ASP . 11258 1 45 . ILE . 11258 1 46 . ARG . 11258 1 47 . ASN . 11258 1 48 . LEU . 11258 1 49 . LEU . 11258 1 50 . VAL . 11258 1 51 . TRP . 11258 1 52 . ILE . 11258 1 53 . LYS . 11258 1 54 . LYS . 11258 1 55 . ASN . 11258 1 56 . LEU . 11258 1 57 . LEU . 11258 1 58 . LYS . 11258 1 59 . GLU . 11258 1 60 . ARG . 11258 1 61 . PRO . 11258 1 62 . GLU . 11258 1 63 . LEU . 11258 1 64 . PHE . 11258 1 65 . ILE . 11258 1 66 . GLN . 11258 1 67 . GLY . 11258 1 68 . ASP . 11258 1 69 . SER . 11258 1 70 . VAL . 11258 1 71 . ARG . 11258 1 72 . PRO . 11258 1 73 . GLY . 11258 1 74 . ILE . 11258 1 75 . LEU . 11258 1 76 . VAL . 11258 1 77 . LEU . 11258 1 78 . ILE . 11258 1 79 . ASN . 11258 1 80 . ASP . 11258 1 81 . ALA . 11258 1 82 . ASP . 11258 1 83 . TRP . 11258 1 84 . GLU . 11258 1 85 . LEU . 11258 1 86 . LEU . 11258 1 87 . GLY . 11258 1 88 . GLU . 11258 1 89 . LEU . 11258 1 90 . ASP . 11258 1 91 . TYR . 11258 1 92 . GLN . 11258 1 93 . LEU . 11258 1 94 . GLN . 11258 1 95 . ASP . 11258 1 96 . GLN . 11258 1 97 . ASP . 11258 1 98 . SER . 11258 1 99 . ILE . 11258 1 100 . LEU . 11258 1 101 . PHE . 11258 1 102 . ILE . 11258 1 103 . SER . 11258 1 104 . THR . 11258 1 105 . LEU . 11258 1 106 . HIS . 11258 1 107 . GLY . 11258 1 108 . GLY . 11258 1 109 . SER . 11258 1 110 . GLY . 11258 1 111 . PRO . 11258 1 112 . SER . 11258 1 113 . SER . 11258 1 114 . GLY . 11258 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11258 1 . SER 2 2 11258 1 . SER 3 3 11258 1 . GLY 4 4 11258 1 . SER 5 5 11258 1 . SER 6 6 11258 1 . GLY 7 7 11258 1 . MET 8 8 11258 1 . ALA 9 9 11258 1 . ALA 10 10 11258 1 . PRO 11 11 11258 1 . LEU 12 12 11258 1 . CYS 13 13 11258 1 . VAL 14 14 11258 1 . LYS 15 15 11258 1 . VAL 16 16 11258 1 . GLU 17 17 11258 1 . PHE 18 18 11258 1 . GLY 19 19 11258 1 . GLY 20 20 11258 1 . GLY 21 21 11258 1 . ALA 22 22 11258 1 . GLU 23 23 11258 1 . LEU 24 24 11258 1 . LEU 25 25 11258 1 . PHE 26 26 11258 1 . ASP 27 27 11258 1 . GLY 28 28 11258 1 . VAL 29 29 11258 1 . LYS 30 30 11258 1 . LYS 31 31 11258 1 . HIS 32 32 11258 1 . GLN 33 33 11258 1 . VAL 34 34 11258 1 . ALA 35 35 11258 1 . LEU 36 36 11258 1 . PRO 37 37 11258 1 . GLY 38 38 11258 1 . GLN 39 39 11258 1 . GLU 40 40 11258 1 . GLU 41 41 11258 1 . PRO 42 42 11258 1 . TRP 43 43 11258 1 . ASP 44 44 11258 1 . ILE 45 45 11258 1 . ARG 46 46 11258 1 . ASN 47 47 11258 1 . LEU 48 48 11258 1 . LEU 49 49 11258 1 . VAL 50 50 11258 1 . TRP 51 51 11258 1 . ILE 52 52 11258 1 . LYS 53 53 11258 1 . LYS 54 54 11258 1 . ASN 55 55 11258 1 . LEU 56 56 11258 1 . LEU 57 57 11258 1 . LYS 58 58 11258 1 . GLU 59 59 11258 1 . ARG 60 60 11258 1 . PRO 61 61 11258 1 . GLU 62 62 11258 1 . LEU 63 63 11258 1 . PHE 64 64 11258 1 . ILE 65 65 11258 1 . GLN 66 66 11258 1 . GLY 67 67 11258 1 . ASP 68 68 11258 1 . SER 69 69 11258 1 . VAL 70 70 11258 1 . ARG 71 71 11258 1 . PRO 72 72 11258 1 . GLY 73 73 11258 1 . ILE 74 74 11258 1 . LEU 75 75 11258 1 . VAL 76 76 11258 1 . LEU 77 77 11258 1 . ILE 78 78 11258 1 . ASN 79 79 11258 1 . ASP 80 80 11258 1 . ALA 81 81 11258 1 . ASP 82 82 11258 1 . TRP 83 83 11258 1 . GLU 84 84 11258 1 . LEU 85 85 11258 1 . LEU 86 86 11258 1 . GLY 87 87 11258 1 . GLU 88 88 11258 1 . LEU 89 89 11258 1 . ASP 90 90 11258 1 . TYR 91 91 11258 1 . GLN 92 92 11258 1 . LEU 93 93 11258 1 . GLN 94 94 11258 1 . ASP 95 95 11258 1 . GLN 96 96 11258 1 . ASP 97 97 11258 1 . SER 98 98 11258 1 . ILE 99 99 11258 1 . LEU 100 100 11258 1 . PHE 101 101 11258 1 . ILE 102 102 11258 1 . SER 103 103 11258 1 . THR 104 104 11258 1 . LEU 105 105 11258 1 . HIS 106 106 11258 1 . GLY 107 107 11258 1 . GLY 108 108 11258 1 . SER 109 109 11258 1 . GLY 110 110 11258 1 . PRO 111 111 11258 1 . SER 112 112 11258 1 . SER 113 113 11258 1 . GLY 114 114 11258 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 11258 _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_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11258 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 11258 _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_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P031215-85 . . . . . . 11258 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11258 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM PiNa {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O' _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 'ThiS domain' . . . 1 $entity_1 . protein . . . mM . . . . 11258 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11258 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11258 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11258 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11258 1 6 H2O . . . . . . solvent 90 . . % . . . . 11258 1 7 D2O . . . . . . solvent 10 . . % . . . . 11258 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11258 _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 0.1 mM 11258 1 pH 6.0 0.05 pH 11258 1 pressure 1 0.001 atm 11258 1 temperature 298.0 0.1 K 11258 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11258 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11258 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11258 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11258 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11258 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11258 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11258 _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, B.A.' . . 11258 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11258 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11258 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11258 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11258 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11258 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11258 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11258 5 'structure solution' 11258 5 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 11258 _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 11258 _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 . . . 11258 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 11258 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11258 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11258 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11258 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11258 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11258 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11258 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11258 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 15N-separated NOESY' 1 $sample_1 isotropic 11258 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11258 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 1 $XWINNMR . . 11258 1 2 $NMRPipe . . 11258 1 3 $NMRview . . 11258 1 4 $Kujira . . 11258 1 5 $CYANA . . 11258 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 7 7 GLY HA2 H 1 3.980 0.030 . 1 . . . . 7 GLY HA2 . 11258 1 2 . 1 1 7 7 GLY HA3 H 1 3.980 0.030 . 1 . . . . 7 GLY HA3 . 11258 1 3 . 1 1 7 7 GLY C C 13 173.957 0.300 . 1 . . . . 7 GLY C . 11258 1 4 . 1 1 7 7 GLY CA C 13 45.372 0.300 . 1 . . . . 7 GLY CA . 11258 1 5 . 1 1 8 8 MET H H 1 8.110 0.030 . 1 . . . . 8 MET H . 11258 1 6 . 1 1 8 8 MET HA H 1 4.444 0.030 . 1 . . . . 8 MET HA . 11258 1 7 . 1 1 8 8 MET HB2 H 1 2.047 0.030 . 2 . . . . 8 MET HB2 . 11258 1 8 . 1 1 8 8 MET HB3 H 1 1.963 0.030 . 2 . . . . 8 MET HB3 . 11258 1 9 . 1 1 8 8 MET HE1 H 1 2.086 0.030 . 1 . . . . 8 MET HE . 11258 1 10 . 1 1 8 8 MET HE2 H 1 2.086 0.030 . 1 . . . . 8 MET HE . 11258 1 11 . 1 1 8 8 MET HE3 H 1 2.086 0.030 . 1 . . . . 8 MET HE . 11258 1 12 . 1 1 8 8 MET HG2 H 1 2.510 0.030 . 1 . . . . 8 MET HG2 . 11258 1 13 . 1 1 8 8 MET HG3 H 1 2.510 0.030 . 1 . . . . 8 MET HG3 . 11258 1 14 . 1 1 8 8 MET C C 13 175.780 0.300 . 1 . . . . 8 MET C . 11258 1 15 . 1 1 8 8 MET CA C 13 55.302 0.300 . 1 . . . . 8 MET CA . 11258 1 16 . 1 1 8 8 MET CB C 13 33.292 0.300 . 1 . . . . 8 MET CB . 11258 1 17 . 1 1 8 8 MET CE C 13 17.046 0.300 . 1 . . . . 8 MET CE . 11258 1 18 . 1 1 8 8 MET CG C 13 32.047 0.300 . 1 . . . . 8 MET CG . 11258 1 19 . 1 1 8 8 MET N N 15 119.530 0.300 . 1 . . . . 8 MET N . 11258 1 20 . 1 1 9 9 ALA H H 1 8.335 0.030 . 1 . . . . 9 ALA H . 11258 1 21 . 1 1 9 9 ALA HA H 1 4.346 0.030 . 1 . . . . 9 ALA HA . 11258 1 22 . 1 1 9 9 ALA HB1 H 1 1.355 0.030 . 1 . . . . 9 ALA HB . 11258 1 23 . 1 1 9 9 ALA HB2 H 1 1.355 0.030 . 1 . . . . 9 ALA HB . 11258 1 24 . 1 1 9 9 ALA HB3 H 1 1.355 0.030 . 1 . . . . 9 ALA HB . 11258 1 25 . 1 1 9 9 ALA C C 13 176.757 0.300 . 1 . . . . 9 ALA C . 11258 1 26 . 1 1 9 9 ALA CA C 13 52.154 0.300 . 1 . . . . 9 ALA CA . 11258 1 27 . 1 1 9 9 ALA CB C 13 19.405 0.300 . 1 . . . . 9 ALA CB . 11258 1 28 . 1 1 9 9 ALA N N 15 125.769 0.300 . 1 . . . . 9 ALA N . 11258 1 29 . 1 1 10 10 ALA H H 1 8.184 0.030 . 1 . . . . 10 ALA H . 11258 1 30 . 1 1 10 10 ALA HA H 1 4.596 0.030 . 1 . . . . 10 ALA HA . 11258 1 31 . 1 1 10 10 ALA HB1 H 1 1.388 0.030 . 1 . . . . 10 ALA HB . 11258 1 32 . 1 1 10 10 ALA HB2 H 1 1.388 0.030 . 1 . . . . 10 ALA HB . 11258 1 33 . 1 1 10 10 ALA HB3 H 1 1.388 0.030 . 1 . . . . 10 ALA HB . 11258 1 34 . 1 1 10 10 ALA C C 13 175.133 0.300 . 1 . . . . 10 ALA C . 11258 1 35 . 1 1 10 10 ALA CA C 13 50.432 0.300 . 1 . . . . 10 ALA CA . 11258 1 36 . 1 1 10 10 ALA CB C 13 18.363 0.300 . 1 . . . . 10 ALA CB . 11258 1 37 . 1 1 10 10 ALA N N 15 125.159 0.300 . 1 . . . . 10 ALA N . 11258 1 38 . 1 1 11 11 PRO HA H 1 4.501 0.030 . 1 . . . . 11 PRO HA . 11258 1 39 . 1 1 11 11 PRO HB2 H 1 1.716 0.030 . 2 . . . . 11 PRO HB2 . 11258 1 40 . 1 1 11 11 PRO HB3 H 1 2.181 0.030 . 2 . . . . 11 PRO HB3 . 11258 1 41 . 1 1 11 11 PRO HD2 H 1 3.778 0.030 . 2 . . . . 11 PRO HD2 . 11258 1 42 . 1 1 11 11 PRO HD3 H 1 3.635 0.030 . 2 . . . . 11 PRO HD3 . 11258 1 43 . 1 1 11 11 PRO HG2 H 1 1.955 0.030 . 1 . . . . 11 PRO HG2 . 11258 1 44 . 1 1 11 11 PRO HG3 H 1 1.955 0.030 . 1 . . . . 11 PRO HG3 . 11258 1 45 . 1 1 11 11 PRO C C 13 175.745 0.300 . 1 . . . . 11 PRO C . 11258 1 46 . 1 1 11 11 PRO CA C 13 62.727 0.300 . 1 . . . . 11 PRO CA . 11258 1 47 . 1 1 11 11 PRO CB C 13 32.401 0.300 . 1 . . . . 11 PRO CB . 11258 1 48 . 1 1 11 11 PRO CD C 13 50.327 0.300 . 1 . . . . 11 PRO CD . 11258 1 49 . 1 1 11 11 PRO CG C 13 27.171 0.300 . 1 . . . . 11 PRO CG . 11258 1 50 . 1 1 12 12 LEU H H 1 8.240 0.030 . 1 . . . . 12 LEU H . 11258 1 51 . 1 1 12 12 LEU HA H 1 4.489 0.030 . 1 . . . . 12 LEU HA . 11258 1 52 . 1 1 12 12 LEU HB2 H 1 1.407 0.030 . 1 . . . . 12 LEU HB2 . 11258 1 53 . 1 1 12 12 LEU HB3 H 1 1.407 0.030 . 1 . . . . 12 LEU HB3 . 11258 1 54 . 1 1 12 12 LEU HD11 H 1 0.698 0.030 . 1 . . . . 12 LEU HD1 . 11258 1 55 . 1 1 12 12 LEU HD12 H 1 0.698 0.030 . 1 . . . . 12 LEU HD1 . 11258 1 56 . 1 1 12 12 LEU HD13 H 1 0.698 0.030 . 1 . . . . 12 LEU HD1 . 11258 1 57 . 1 1 12 12 LEU HD21 H 1 0.704 0.030 . 1 . . . . 12 LEU HD2 . 11258 1 58 . 1 1 12 12 LEU HD22 H 1 0.704 0.030 . 1 . . . . 12 LEU HD2 . 11258 1 59 . 1 1 12 12 LEU HD23 H 1 0.704 0.030 . 1 . . . . 12 LEU HD2 . 11258 1 60 . 1 1 12 12 LEU HG H 1 1.389 0.030 . 1 . . . . 12 LEU HG . 11258 1 61 . 1 1 12 12 LEU C C 13 175.050 0.300 . 1 . . . . 12 LEU C . 11258 1 62 . 1 1 12 12 LEU CA C 13 54.767 0.300 . 1 . . . . 12 LEU CA . 11258 1 63 . 1 1 12 12 LEU CB C 13 44.568 0.300 . 1 . . . . 12 LEU CB . 11258 1 64 . 1 1 12 12 LEU CD1 C 13 25.914 0.300 . 2 . . . . 12 LEU CD1 . 11258 1 65 . 1 1 12 12 LEU CD2 C 13 25.653 0.300 . 2 . . . . 12 LEU CD2 . 11258 1 66 . 1 1 12 12 LEU CG C 13 27.174 0.300 . 1 . . . . 12 LEU CG . 11258 1 67 . 1 1 12 12 LEU N N 15 122.459 0.300 . 1 . . . . 12 LEU N . 11258 1 68 . 1 1 13 13 CYS H H 1 8.838 0.030 . 1 . . . . 13 CYS H . 11258 1 69 . 1 1 13 13 CYS HA H 1 5.246 0.030 . 1 . . . . 13 CYS HA . 11258 1 70 . 1 1 13 13 CYS HB2 H 1 2.762 0.030 . 1 . . . . 13 CYS HB2 . 11258 1 71 . 1 1 13 13 CYS HB3 H 1 2.762 0.030 . 1 . . . . 13 CYS HB3 . 11258 1 72 . 1 1 13 13 CYS C C 13 174.121 0.300 . 1 . . . . 13 CYS C . 11258 1 73 . 1 1 13 13 CYS CA C 13 57.728 0.300 . 1 . . . . 13 CYS CA . 11258 1 74 . 1 1 13 13 CYS CB C 13 28.452 0.300 . 1 . . . . 13 CYS CB . 11258 1 75 . 1 1 13 13 CYS N N 15 123.981 0.300 . 1 . . . . 13 CYS N . 11258 1 76 . 1 1 14 14 VAL H H 1 8.598 0.030 . 1 . . . . 14 VAL H . 11258 1 77 . 1 1 14 14 VAL HA H 1 4.726 0.030 . 1 . . . . 14 VAL HA . 11258 1 78 . 1 1 14 14 VAL HB H 1 1.962 0.030 . 1 . . . . 14 VAL HB . 11258 1 79 . 1 1 14 14 VAL HG11 H 1 0.767 0.030 . 1 . . . . 14 VAL HG1 . 11258 1 80 . 1 1 14 14 VAL HG12 H 1 0.767 0.030 . 1 . . . . 14 VAL HG1 . 11258 1 81 . 1 1 14 14 VAL HG13 H 1 0.767 0.030 . 1 . . . . 14 VAL HG1 . 11258 1 82 . 1 1 14 14 VAL HG21 H 1 0.472 0.030 . 1 . . . . 14 VAL HG2 . 11258 1 83 . 1 1 14 14 VAL HG22 H 1 0.472 0.030 . 1 . . . . 14 VAL HG2 . 11258 1 84 . 1 1 14 14 VAL HG23 H 1 0.472 0.030 . 1 . . . . 14 VAL HG2 . 11258 1 85 . 1 1 14 14 VAL C C 13 173.998 0.300 . 1 . . . . 14 VAL C . 11258 1 86 . 1 1 14 14 VAL CA C 13 59.044 0.300 . 1 . . . . 14 VAL CA . 11258 1 87 . 1 1 14 14 VAL CB C 13 35.398 0.300 . 1 . . . . 14 VAL CB . 11258 1 88 . 1 1 14 14 VAL CG1 C 13 22.507 0.300 . 2 . . . . 14 VAL CG1 . 11258 1 89 . 1 1 14 14 VAL CG2 C 13 19.122 0.300 . 2 . . . . 14 VAL CG2 . 11258 1 90 . 1 1 14 14 VAL N N 15 118.898 0.300 . 1 . . . . 14 VAL N . 11258 1 91 . 1 1 15 15 LYS H H 1 8.777 0.030 . 1 . . . . 15 LYS H . 11258 1 92 . 1 1 15 15 LYS HA H 1 4.872 0.030 . 1 . . . . 15 LYS HA . 11258 1 93 . 1 1 15 15 LYS HB2 H 1 1.850 0.030 . 2 . . . . 15 LYS HB2 . 11258 1 94 . 1 1 15 15 LYS HB3 H 1 1.715 0.030 . 2 . . . . 15 LYS HB3 . 11258 1 95 . 1 1 15 15 LYS HD2 H 1 1.631 0.030 . 1 . . . . 15 LYS HD2 . 11258 1 96 . 1 1 15 15 LYS HD3 H 1 1.631 0.030 . 1 . . . . 15 LYS HD3 . 11258 1 97 . 1 1 15 15 LYS HE2 H 1 2.882 0.030 . 1 . . . . 15 LYS HE2 . 11258 1 98 . 1 1 15 15 LYS HE3 H 1 2.882 0.030 . 1 . . . . 15 LYS HE3 . 11258 1 99 . 1 1 15 15 LYS HG2 H 1 1.293 0.030 . 2 . . . . 15 LYS HG2 . 11258 1 100 . 1 1 15 15 LYS HG3 H 1 1.366 0.030 . 2 . . . . 15 LYS HG3 . 11258 1 101 . 1 1 15 15 LYS C C 13 174.814 0.300 . 1 . . . . 15 LYS C . 11258 1 102 . 1 1 15 15 LYS CA C 13 55.369 0.300 . 1 . . . . 15 LYS CA . 11258 1 103 . 1 1 15 15 LYS CB C 13 33.323 0.300 . 1 . . . . 15 LYS CB . 11258 1 104 . 1 1 15 15 LYS CD C 13 29.333 0.300 . 1 . . . . 15 LYS CD . 11258 1 105 . 1 1 15 15 LYS CE C 13 41.918 0.300 . 1 . . . . 15 LYS CE . 11258 1 106 . 1 1 15 15 LYS CG C 13 25.112 0.300 . 1 . . . . 15 LYS CG . 11258 1 107 . 1 1 15 15 LYS N N 15 123.451 0.300 . 1 . . . . 15 LYS N . 11258 1 108 . 1 1 16 16 VAL H H 1 8.606 0.030 . 1 . . . . 16 VAL H . 11258 1 109 . 1 1 16 16 VAL HA H 1 4.898 0.030 . 1 . . . . 16 VAL HA . 11258 1 110 . 1 1 16 16 VAL HB H 1 1.634 0.030 . 1 . . . . 16 VAL HB . 11258 1 111 . 1 1 16 16 VAL HG11 H 1 0.493 0.030 . 1 . . . . 16 VAL HG1 . 11258 1 112 . 1 1 16 16 VAL HG12 H 1 0.493 0.030 . 1 . . . . 16 VAL HG1 . 11258 1 113 . 1 1 16 16 VAL HG13 H 1 0.493 0.030 . 1 . . . . 16 VAL HG1 . 11258 1 114 . 1 1 16 16 VAL HG21 H 1 0.769 0.030 . 1 . . . . 16 VAL HG2 . 11258 1 115 . 1 1 16 16 VAL HG22 H 1 0.769 0.030 . 1 . . . . 16 VAL HG2 . 11258 1 116 . 1 1 16 16 VAL HG23 H 1 0.769 0.030 . 1 . . . . 16 VAL HG2 . 11258 1 117 . 1 1 16 16 VAL C C 13 173.646 0.300 . 1 . . . . 16 VAL C . 11258 1 118 . 1 1 16 16 VAL CA C 13 60.266 0.300 . 1 . . . . 16 VAL CA . 11258 1 119 . 1 1 16 16 VAL CB C 13 34.615 0.300 . 1 . . . . 16 VAL CB . 11258 1 120 . 1 1 16 16 VAL CG1 C 13 23.044 0.300 . 2 . . . . 16 VAL CG1 . 11258 1 121 . 1 1 16 16 VAL CG2 C 13 22.407 0.300 . 2 . . . . 16 VAL CG2 . 11258 1 122 . 1 1 16 16 VAL N N 15 122.610 0.300 . 1 . . . . 16 VAL N . 11258 1 123 . 1 1 17 17 GLU H H 1 8.833 0.030 . 1 . . . . 17 GLU H . 11258 1 124 . 1 1 17 17 GLU HA H 1 5.545 0.030 . 1 . . . . 17 GLU HA . 11258 1 125 . 1 1 17 17 GLU HB2 H 1 1.757 0.030 . 2 . . . . 17 GLU HB2 . 11258 1 126 . 1 1 17 17 GLU HB3 H 1 1.801 0.030 . 2 . . . . 17 GLU HB3 . 11258 1 127 . 1 1 17 17 GLU HG2 H 1 2.107 0.030 . 2 . . . . 17 GLU HG2 . 11258 1 128 . 1 1 17 17 GLU HG3 H 1 1.977 0.030 . 2 . . . . 17 GLU HG3 . 11258 1 129 . 1 1 17 17 GLU C C 13 173.111 0.300 . 1 . . . . 17 GLU C . 11258 1 130 . 1 1 17 17 GLU CA C 13 53.008 0.300 . 1 . . . . 17 GLU CA . 11258 1 131 . 1 1 17 17 GLU CB C 13 33.258 0.300 . 1 . . . . 17 GLU CB . 11258 1 132 . 1 1 17 17 GLU CG C 13 36.839 0.300 . 1 . . . . 17 GLU CG . 11258 1 133 . 1 1 17 17 GLU N N 15 128.223 0.300 . 1 . . . . 17 GLU N . 11258 1 134 . 1 1 18 18 PHE H H 1 8.894 0.030 . 1 . . . . 18 PHE H . 11258 1 135 . 1 1 18 18 PHE HA H 1 5.736 0.030 . 1 . . . . 18 PHE HA . 11258 1 136 . 1 1 18 18 PHE HB2 H 1 2.681 0.030 . 2 . . . . 18 PHE HB2 . 11258 1 137 . 1 1 18 18 PHE HB3 H 1 2.968 0.030 . 2 . . . . 18 PHE HB3 . 11258 1 138 . 1 1 18 18 PHE HD1 H 1 6.939 0.030 . 1 . . . . 18 PHE HD1 . 11258 1 139 . 1 1 18 18 PHE HD2 H 1 6.939 0.030 . 1 . . . . 18 PHE HD2 . 11258 1 140 . 1 1 18 18 PHE HE1 H 1 5.918 0.030 . 1 . . . . 18 PHE HE1 . 11258 1 141 . 1 1 18 18 PHE HE2 H 1 5.918 0.030 . 1 . . . . 18 PHE HE2 . 11258 1 142 . 1 1 18 18 PHE HZ H 1 5.710 0.030 . 1 . . . . 18 PHE HZ . 11258 1 143 . 1 1 18 18 PHE C C 13 176.148 0.300 . 1 . . . . 18 PHE C . 11258 1 144 . 1 1 18 18 PHE CA C 13 56.098 0.300 . 1 . . . . 18 PHE CA . 11258 1 145 . 1 1 18 18 PHE CB C 13 42.553 0.300 . 1 . . . . 18 PHE CB . 11258 1 146 . 1 1 18 18 PHE CD1 C 13 130.679 0.300 . 1 . . . . 18 PHE CD1 . 11258 1 147 . 1 1 18 18 PHE CD2 C 13 130.679 0.300 . 1 . . . . 18 PHE CD2 . 11258 1 148 . 1 1 18 18 PHE CE1 C 13 130.674 0.300 . 1 . . . . 18 PHE CE1 . 11258 1 149 . 1 1 18 18 PHE CE2 C 13 130.674 0.300 . 1 . . . . 18 PHE CE2 . 11258 1 150 . 1 1 18 18 PHE CZ C 13 128.590 0.300 . 1 . . . . 18 PHE CZ . 11258 1 151 . 1 1 18 18 PHE N N 15 122.563 0.300 . 1 . . . . 18 PHE N . 11258 1 152 . 1 1 19 19 GLY H H 1 9.222 0.030 . 1 . . . . 19 GLY H . 11258 1 153 . 1 1 19 19 GLY HA2 H 1 5.105 0.030 . 2 . . . . 19 GLY HA2 . 11258 1 154 . 1 1 19 19 GLY HA3 H 1 3.994 0.030 . 2 . . . . 19 GLY HA3 . 11258 1 155 . 1 1 19 19 GLY C C 13 176.631 0.300 . 1 . . . . 19 GLY C . 11258 1 156 . 1 1 19 19 GLY CA C 13 44.732 0.300 . 1 . . . . 19 GLY CA . 11258 1 157 . 1 1 19 19 GLY N N 15 107.438 0.300 . 1 . . . . 19 GLY N . 11258 1 158 . 1 1 20 20 GLY H H 1 9.296 0.030 . 1 . . . . 20 GLY H . 11258 1 159 . 1 1 20 20 GLY HA2 H 1 4.037 0.030 . 2 . . . . 20 GLY HA2 . 11258 1 160 . 1 1 20 20 GLY HA3 H 1 4.621 0.030 . 2 . . . . 20 GLY HA3 . 11258 1 161 . 1 1 20 20 GLY C C 13 173.357 0.300 . 1 . . . . 20 GLY C . 11258 1 162 . 1 1 20 20 GLY CA C 13 46.414 0.300 . 1 . . . . 20 GLY CA . 11258 1 163 . 1 1 20 20 GLY N N 15 110.942 0.300 . 1 . . . . 20 GLY N . 11258 1 164 . 1 1 21 21 GLY H H 1 9.302 0.030 . 1 . . . . 21 GLY H . 11258 1 165 . 1 1 21 21 GLY HA2 H 1 3.494 0.030 . 2 . . . . 21 GLY HA2 . 11258 1 166 . 1 1 21 21 GLY HA3 H 1 4.684 0.030 . 2 . . . . 21 GLY HA3 . 11258 1 167 . 1 1 21 21 GLY C C 13 177.587 0.300 . 1 . . . . 21 GLY C . 11258 1 168 . 1 1 21 21 GLY CA C 13 44.515 0.300 . 1 . . . . 21 GLY CA . 11258 1 169 . 1 1 21 21 GLY N N 15 109.200 0.300 . 1 . . . . 21 GLY N . 11258 1 170 . 1 1 22 22 ALA H H 1 7.918 0.030 . 1 . . . . 22 ALA H . 11258 1 171 . 1 1 22 22 ALA HA H 1 4.177 0.030 . 1 . . . . 22 ALA HA . 11258 1 172 . 1 1 22 22 ALA HB1 H 1 1.819 0.030 . 1 . . . . 22 ALA HB . 11258 1 173 . 1 1 22 22 ALA HB2 H 1 1.819 0.030 . 1 . . . . 22 ALA HB . 11258 1 174 . 1 1 22 22 ALA HB3 H 1 1.819 0.030 . 1 . . . . 22 ALA HB . 11258 1 175 . 1 1 22 22 ALA C C 13 178.277 0.300 . 1 . . . . 22 ALA C . 11258 1 176 . 1 1 22 22 ALA CA C 13 54.890 0.300 . 1 . . . . 22 ALA CA . 11258 1 177 . 1 1 22 22 ALA CB C 13 17.512 0.300 . 1 . . . . 22 ALA CB . 11258 1 178 . 1 1 22 22 ALA N N 15 125.541 0.300 . 1 . . . . 22 ALA N . 11258 1 179 . 1 1 23 23 GLU H H 1 11.034 0.030 . 1 . . . . 23 GLU H . 11258 1 180 . 1 1 23 23 GLU HA H 1 4.022 0.030 . 1 . . . . 23 GLU HA . 11258 1 181 . 1 1 23 23 GLU HB2 H 1 2.248 0.030 . 2 . . . . 23 GLU HB2 . 11258 1 182 . 1 1 23 23 GLU HB3 H 1 1.547 0.030 . 2 . . . . 23 GLU HB3 . 11258 1 183 . 1 1 23 23 GLU HG2 H 1 2.047 0.030 . 2 . . . . 23 GLU HG2 . 11258 1 184 . 1 1 23 23 GLU HG3 H 1 2.345 0.030 . 2 . . . . 23 GLU HG3 . 11258 1 185 . 1 1 23 23 GLU C C 13 178.451 0.300 . 1 . . . . 23 GLU C . 11258 1 186 . 1 1 23 23 GLU CA C 13 58.920 0.300 . 1 . . . . 23 GLU CA . 11258 1 187 . 1 1 23 23 GLU CB C 13 26.848 0.300 . 1 . . . . 23 GLU CB . 11258 1 188 . 1 1 23 23 GLU CG C 13 34.507 0.300 . 1 . . . . 23 GLU CG . 11258 1 189 . 1 1 23 23 GLU N N 15 117.424 0.300 . 1 . . . . 23 GLU N . 11258 1 190 . 1 1 24 24 LEU H H 1 7.687 0.030 . 1 . . . . 24 LEU H . 11258 1 191 . 1 1 24 24 LEU HA H 1 4.016 0.030 . 1 . . . . 24 LEU HA . 11258 1 192 . 1 1 24 24 LEU HB2 H 1 1.818 0.030 . 2 . . . . 24 LEU HB2 . 11258 1 193 . 1 1 24 24 LEU HB3 H 1 1.582 0.030 . 2 . . . . 24 LEU HB3 . 11258 1 194 . 1 1 24 24 LEU HD11 H 1 0.977 0.030 . 1 . . . . 24 LEU HD1 . 11258 1 195 . 1 1 24 24 LEU HD12 H 1 0.977 0.030 . 1 . . . . 24 LEU HD1 . 11258 1 196 . 1 1 24 24 LEU HD13 H 1 0.977 0.030 . 1 . . . . 24 LEU HD1 . 11258 1 197 . 1 1 24 24 LEU HD21 H 1 0.888 0.030 . 1 . . . . 24 LEU HD2 . 11258 1 198 . 1 1 24 24 LEU HD22 H 1 0.888 0.030 . 1 . . . . 24 LEU HD2 . 11258 1 199 . 1 1 24 24 LEU HD23 H 1 0.888 0.030 . 1 . . . . 24 LEU HD2 . 11258 1 200 . 1 1 24 24 LEU HG H 1 1.653 0.030 . 1 . . . . 24 LEU HG . 11258 1 201 . 1 1 24 24 LEU C C 13 178.041 0.300 . 1 . . . . 24 LEU C . 11258 1 202 . 1 1 24 24 LEU CA C 13 56.823 0.300 . 1 . . . . 24 LEU CA . 11258 1 203 . 1 1 24 24 LEU CB C 13 40.327 0.300 . 1 . . . . 24 LEU CB . 11258 1 204 . 1 1 24 24 LEU CD1 C 13 24.919 0.300 . 2 . . . . 24 LEU CD1 . 11258 1 205 . 1 1 24 24 LEU CD2 C 13 22.197 0.300 . 2 . . . . 24 LEU CD2 . 11258 1 206 . 1 1 24 24 LEU CG C 13 27.423 0.300 . 1 . . . . 24 LEU CG . 11258 1 207 . 1 1 24 24 LEU N N 15 123.647 0.300 . 1 . . . . 24 LEU N . 11258 1 208 . 1 1 25 25 LEU H H 1 7.623 0.030 . 1 . . . . 25 LEU H . 11258 1 209 . 1 1 25 25 LEU HA H 1 3.938 0.030 . 1 . . . . 25 LEU HA . 11258 1 210 . 1 1 25 25 LEU HB2 H 1 1.219 0.030 . 2 . . . . 25 LEU HB2 . 11258 1 211 . 1 1 25 25 LEU HB3 H 1 0.858 0.030 . 2 . . . . 25 LEU HB3 . 11258 1 212 . 1 1 25 25 LEU HD11 H 1 0.768 0.030 . 1 . . . . 25 LEU HD1 . 11258 1 213 . 1 1 25 25 LEU HD12 H 1 0.768 0.030 . 1 . . . . 25 LEU HD1 . 11258 1 214 . 1 1 25 25 LEU HD13 H 1 0.768 0.030 . 1 . . . . 25 LEU HD1 . 11258 1 215 . 1 1 25 25 LEU HD21 H 1 0.672 0.030 . 1 . . . . 25 LEU HD2 . 11258 1 216 . 1 1 25 25 LEU HD22 H 1 0.672 0.030 . 1 . . . . 25 LEU HD2 . 11258 1 217 . 1 1 25 25 LEU HD23 H 1 0.672 0.030 . 1 . . . . 25 LEU HD2 . 11258 1 218 . 1 1 25 25 LEU HG H 1 1.571 0.030 . 1 . . . . 25 LEU HG . 11258 1 219 . 1 1 25 25 LEU C C 13 174.546 0.300 . 1 . . . . 25 LEU C . 11258 1 220 . 1 1 25 25 LEU CA C 13 54.858 0.300 . 1 . . . . 25 LEU CA . 11258 1 221 . 1 1 25 25 LEU CB C 13 39.809 0.300 . 1 . . . . 25 LEU CB . 11258 1 222 . 1 1 25 25 LEU CD1 C 13 25.733 0.300 . 2 . . . . 25 LEU CD1 . 11258 1 223 . 1 1 25 25 LEU CD2 C 13 22.546 0.300 . 2 . . . . 25 LEU CD2 . 11258 1 224 . 1 1 25 25 LEU CG C 13 27.174 0.300 . 1 . . . . 25 LEU CG . 11258 1 225 . 1 1 25 25 LEU N N 15 117.797 0.300 . 1 . . . . 25 LEU N . 11258 1 226 . 1 1 26 26 PHE H H 1 7.189 0.030 . 1 . . . . 26 PHE H . 11258 1 227 . 1 1 26 26 PHE HA H 1 4.353 0.030 . 1 . . . . 26 PHE HA . 11258 1 228 . 1 1 26 26 PHE HB2 H 1 3.109 0.030 . 2 . . . . 26 PHE HB2 . 11258 1 229 . 1 1 26 26 PHE HB3 H 1 2.552 0.030 . 2 . . . . 26 PHE HB3 . 11258 1 230 . 1 1 26 26 PHE HD1 H 1 6.445 0.030 . 1 . . . . 26 PHE HD1 . 11258 1 231 . 1 1 26 26 PHE HD2 H 1 6.445 0.030 . 1 . . . . 26 PHE HD2 . 11258 1 232 . 1 1 26 26 PHE HE1 H 1 5.853 0.030 . 1 . . . . 26 PHE HE1 . 11258 1 233 . 1 1 26 26 PHE HE2 H 1 5.853 0.030 . 1 . . . . 26 PHE HE2 . 11258 1 234 . 1 1 26 26 PHE HZ H 1 5.093 0.030 . 1 . . . . 26 PHE HZ . 11258 1 235 . 1 1 26 26 PHE C C 13 176.907 0.300 . 1 . . . . 26 PHE C . 11258 1 236 . 1 1 26 26 PHE CA C 13 56.247 0.300 . 1 . . . . 26 PHE CA . 11258 1 237 . 1 1 26 26 PHE CB C 13 38.995 0.300 . 1 . . . . 26 PHE CB . 11258 1 238 . 1 1 26 26 PHE CD1 C 13 132.087 0.300 . 1 . . . . 26 PHE CD1 . 11258 1 239 . 1 1 26 26 PHE CD2 C 13 132.087 0.300 . 1 . . . . 26 PHE CD2 . 11258 1 240 . 1 1 26 26 PHE CE1 C 13 129.983 0.300 . 1 . . . . 26 PHE CE1 . 11258 1 241 . 1 1 26 26 PHE CE2 C 13 129.983 0.300 . 1 . . . . 26 PHE CE2 . 11258 1 242 . 1 1 26 26 PHE CZ C 13 128.245 0.300 . 1 . . . . 26 PHE CZ . 11258 1 243 . 1 1 26 26 PHE N N 15 118.324 0.300 . 1 . . . . 26 PHE N . 11258 1 244 . 1 1 27 27 ASP H H 1 9.013 0.030 . 1 . . . . 27 ASP H . 11258 1 245 . 1 1 27 27 ASP HA H 1 4.444 0.030 . 1 . . . . 27 ASP HA . 11258 1 246 . 1 1 27 27 ASP HB2 H 1 3.201 0.030 . 2 . . . . 27 ASP HB2 . 11258 1 247 . 1 1 27 27 ASP HB3 H 1 2.602 0.030 . 2 . . . . 27 ASP HB3 . 11258 1 248 . 1 1 27 27 ASP C C 13 175.328 0.300 . 1 . . . . 27 ASP C . 11258 1 249 . 1 1 27 27 ASP CA C 13 55.384 0.300 . 1 . . . . 27 ASP CA . 11258 1 250 . 1 1 27 27 ASP CB C 13 40.455 0.300 . 1 . . . . 27 ASP CB . 11258 1 251 . 1 1 27 27 ASP N N 15 121.159 0.300 . 1 . . . . 27 ASP N . 11258 1 252 . 1 1 28 28 GLY H H 1 7.816 0.030 . 1 . . . . 28 GLY H . 11258 1 253 . 1 1 28 28 GLY HA2 H 1 4.199 0.030 . 2 . . . . 28 GLY HA2 . 11258 1 254 . 1 1 28 28 GLY HA3 H 1 3.082 0.030 . 2 . . . . 28 GLY HA3 . 11258 1 255 . 1 1 28 28 GLY C C 13 173.486 0.300 . 1 . . . . 28 GLY C . 11258 1 256 . 1 1 28 28 GLY CA C 13 45.680 0.300 . 1 . . . . 28 GLY CA . 11258 1 257 . 1 1 28 28 GLY N N 15 102.758 0.300 . 1 . . . . 28 GLY N . 11258 1 258 . 1 1 29 29 VAL H H 1 7.476 0.030 . 1 . . . . 29 VAL H . 11258 1 259 . 1 1 29 29 VAL HA H 1 3.945 0.030 . 1 . . . . 29 VAL HA . 11258 1 260 . 1 1 29 29 VAL HB H 1 2.279 0.030 . 1 . . . . 29 VAL HB . 11258 1 261 . 1 1 29 29 VAL HG11 H 1 0.607 0.030 . 1 . . . . 29 VAL HG1 . 11258 1 262 . 1 1 29 29 VAL HG12 H 1 0.607 0.030 . 1 . . . . 29 VAL HG1 . 11258 1 263 . 1 1 29 29 VAL HG13 H 1 0.607 0.030 . 1 . . . . 29 VAL HG1 . 11258 1 264 . 1 1 29 29 VAL HG21 H 1 1.037 0.030 . 1 . . . . 29 VAL HG2 . 11258 1 265 . 1 1 29 29 VAL HG22 H 1 1.037 0.030 . 1 . . . . 29 VAL HG2 . 11258 1 266 . 1 1 29 29 VAL HG23 H 1 1.037 0.030 . 1 . . . . 29 VAL HG2 . 11258 1 267 . 1 1 29 29 VAL C C 13 176.414 0.300 . 1 . . . . 29 VAL C . 11258 1 268 . 1 1 29 29 VAL CA C 13 63.033 0.300 . 1 . . . . 29 VAL CA . 11258 1 269 . 1 1 29 29 VAL CB C 13 31.613 0.300 . 1 . . . . 29 VAL CB . 11258 1 270 . 1 1 29 29 VAL CG1 C 13 21.302 0.300 . 2 . . . . 29 VAL CG1 . 11258 1 271 . 1 1 29 29 VAL CG2 C 13 21.108 0.300 . 2 . . . . 29 VAL CG2 . 11258 1 272 . 1 1 29 29 VAL N N 15 122.285 0.300 . 1 . . . . 29 VAL N . 11258 1 273 . 1 1 30 30 LYS H H 1 8.481 0.030 . 1 . . . . 30 LYS H . 11258 1 274 . 1 1 30 30 LYS HA H 1 4.458 0.030 . 1 . . . . 30 LYS HA . 11258 1 275 . 1 1 30 30 LYS HB2 H 1 2.202 0.030 . 2 . . . . 30 LYS HB2 . 11258 1 276 . 1 1 30 30 LYS HB3 H 1 1.843 0.030 . 2 . . . . 30 LYS HB3 . 11258 1 277 . 1 1 30 30 LYS HD2 H 1 1.837 0.030 . 2 . . . . 30 LYS HD2 . 11258 1 278 . 1 1 30 30 LYS HD3 H 1 1.911 0.030 . 2 . . . . 30 LYS HD3 . 11258 1 279 . 1 1 30 30 LYS HE2 H 1 3.070 0.030 . 2 . . . . 30 LYS HE2 . 11258 1 280 . 1 1 30 30 LYS HE3 H 1 3.092 0.030 . 2 . . . . 30 LYS HE3 . 11258 1 281 . 1 1 30 30 LYS HG2 H 1 1.548 0.030 . 2 . . . . 30 LYS HG2 . 11258 1 282 . 1 1 30 30 LYS HG3 H 1 1.672 0.030 . 2 . . . . 30 LYS HG3 . 11258 1 283 . 1 1 30 30 LYS C C 13 176.501 0.300 . 1 . . . . 30 LYS C . 11258 1 284 . 1 1 30 30 LYS CA C 13 60.195 0.300 . 1 . . . . 30 LYS CA . 11258 1 285 . 1 1 30 30 LYS CB C 13 34.299 0.300 . 1 . . . . 30 LYS CB . 11258 1 286 . 1 1 30 30 LYS CD C 13 29.640 0.300 . 1 . . . . 30 LYS CD . 11258 1 287 . 1 1 30 30 LYS CE C 13 42.107 0.300 . 1 . . . . 30 LYS CE . 11258 1 288 . 1 1 30 30 LYS CG C 13 26.541 0.300 . 1 . . . . 30 LYS CG . 11258 1 289 . 1 1 30 30 LYS N N 15 127.267 0.300 . 1 . . . . 30 LYS N . 11258 1 290 . 1 1 31 31 LYS H H 1 7.639 0.030 . 1 . . . . 31 LYS H . 11258 1 291 . 1 1 31 31 LYS HA H 1 4.877 0.030 . 1 . . . . 31 LYS HA . 11258 1 292 . 1 1 31 31 LYS HB2 H 1 1.648 0.030 . 2 . . . . 31 LYS HB2 . 11258 1 293 . 1 1 31 31 LYS HB3 H 1 1.756 0.030 . 2 . . . . 31 LYS HB3 . 11258 1 294 . 1 1 31 31 LYS HD2 H 1 1.620 0.030 . 2 . . . . 31 LYS HD2 . 11258 1 295 . 1 1 31 31 LYS HD3 H 1 1.747 0.030 . 2 . . . . 31 LYS HD3 . 11258 1 296 . 1 1 31 31 LYS HE2 H 1 2.910 0.030 . 1 . . . . 31 LYS HE2 . 11258 1 297 . 1 1 31 31 LYS HE3 H 1 2.910 0.030 . 1 . . . . 31 LYS HE3 . 11258 1 298 . 1 1 31 31 LYS HG2 H 1 1.214 0.030 . 2 . . . . 31 LYS HG2 . 11258 1 299 . 1 1 31 31 LYS HG3 H 1 1.329 0.030 . 2 . . . . 31 LYS HG3 . 11258 1 300 . 1 1 31 31 LYS C C 13 175.002 0.300 . 1 . . . . 31 LYS C . 11258 1 301 . 1 1 31 31 LYS CA C 13 56.682 0.300 . 1 . . . . 31 LYS CA . 11258 1 302 . 1 1 31 31 LYS CB C 13 34.807 0.300 . 1 . . . . 31 LYS CB . 11258 1 303 . 1 1 31 31 LYS CD C 13 28.916 0.300 . 1 . . . . 31 LYS CD . 11258 1 304 . 1 1 31 31 LYS CE C 13 42.000 0.300 . 1 . . . . 31 LYS CE . 11258 1 305 . 1 1 31 31 LYS CG C 13 25.518 0.300 . 1 . . . . 31 LYS CG . 11258 1 306 . 1 1 31 31 LYS N N 15 116.078 0.300 . 1 . . . . 31 LYS N . 11258 1 307 . 1 1 32 32 HIS H H 1 9.081 0.030 . 1 . . . . 32 HIS H . 11258 1 308 . 1 1 32 32 HIS HA H 1 4.543 0.030 . 1 . . . . 32 HIS HA . 11258 1 309 . 1 1 32 32 HIS HB2 H 1 2.869 0.030 . 1 . . . . 32 HIS HB2 . 11258 1 310 . 1 1 32 32 HIS HB3 H 1 2.869 0.030 . 1 . . . . 32 HIS HB3 . 11258 1 311 . 1 1 32 32 HIS HD2 H 1 6.836 0.030 . 1 . . . . 32 HIS HD2 . 11258 1 312 . 1 1 32 32 HIS HE1 H 1 8.145 0.030 . 1 . . . . 32 HIS HE1 . 11258 1 313 . 1 1 32 32 HIS C C 13 174.325 0.300 . 1 . . . . 32 HIS C . 11258 1 314 . 1 1 32 32 HIS CA C 13 55.137 0.300 . 1 . . . . 32 HIS CA . 11258 1 315 . 1 1 32 32 HIS CB C 13 33.834 0.300 . 1 . . . . 32 HIS CB . 11258 1 316 . 1 1 32 32 HIS CD2 C 13 118.548 0.300 . 1 . . . . 32 HIS CD2 . 11258 1 317 . 1 1 32 32 HIS CE1 C 13 137.593 0.300 . 1 . . . . 32 HIS CE1 . 11258 1 318 . 1 1 32 32 HIS N N 15 122.188 0.300 . 1 . . . . 32 HIS N . 11258 1 319 . 1 1 33 33 GLN H H 1 8.987 0.030 . 1 . . . . 33 GLN H . 11258 1 320 . 1 1 33 33 GLN HA H 1 4.712 0.030 . 1 . . . . 33 GLN HA . 11258 1 321 . 1 1 33 33 GLN HB2 H 1 2.027 0.030 . 2 . . . . 33 GLN HB2 . 11258 1 322 . 1 1 33 33 GLN HB3 H 1 1.962 0.030 . 2 . . . . 33 GLN HB3 . 11258 1 323 . 1 1 33 33 GLN HE21 H 1 7.388 0.030 . 2 . . . . 33 GLN HE21 . 11258 1 324 . 1 1 33 33 GLN HE22 H 1 6.788 0.030 . 2 . . . . 33 GLN HE22 . 11258 1 325 . 1 1 33 33 GLN HG2 H 1 2.193 0.030 . 1 . . . . 33 GLN HG2 . 11258 1 326 . 1 1 33 33 GLN HG3 H 1 2.193 0.030 . 1 . . . . 33 GLN HG3 . 11258 1 327 . 1 1 33 33 GLN C C 13 174.972 0.300 . 1 . . . . 33 GLN C . 11258 1 328 . 1 1 33 33 GLN CA C 13 55.754 0.300 . 1 . . . . 33 GLN CA . 11258 1 329 . 1 1 33 33 GLN CB C 13 29.187 0.300 . 1 . . . . 33 GLN CB . 11258 1 330 . 1 1 33 33 GLN CG C 13 34.268 0.300 . 1 . . . . 33 GLN CG . 11258 1 331 . 1 1 33 33 GLN N N 15 125.260 0.300 . 1 . . . . 33 GLN N . 11258 1 332 . 1 1 33 33 GLN NE2 N 15 111.339 0.300 . 1 . . . . 33 GLN NE2 . 11258 1 333 . 1 1 34 34 VAL H H 1 8.771 0.030 . 1 . . . . 34 VAL H . 11258 1 334 . 1 1 34 34 VAL HA H 1 4.156 0.030 . 1 . . . . 34 VAL HA . 11258 1 335 . 1 1 34 34 VAL HB H 1 1.661 0.030 . 1 . . . . 34 VAL HB . 11258 1 336 . 1 1 34 34 VAL HG11 H 1 0.065 0.030 . 1 . . . . 34 VAL HG1 . 11258 1 337 . 1 1 34 34 VAL HG12 H 1 0.065 0.030 . 1 . . . . 34 VAL HG1 . 11258 1 338 . 1 1 34 34 VAL HG13 H 1 0.065 0.030 . 1 . . . . 34 VAL HG1 . 11258 1 339 . 1 1 34 34 VAL HG21 H 1 0.628 0.030 . 1 . . . . 34 VAL HG2 . 11258 1 340 . 1 1 34 34 VAL HG22 H 1 0.628 0.030 . 1 . . . . 34 VAL HG2 . 11258 1 341 . 1 1 34 34 VAL HG23 H 1 0.628 0.030 . 1 . . . . 34 VAL HG2 . 11258 1 342 . 1 1 34 34 VAL C C 13 172.951 0.300 . 1 . . . . 34 VAL C . 11258 1 343 . 1 1 34 34 VAL CA C 13 61.388 0.300 . 1 . . . . 34 VAL CA . 11258 1 344 . 1 1 34 34 VAL CB C 13 34.081 0.300 . 1 . . . . 34 VAL CB . 11258 1 345 . 1 1 34 34 VAL CG1 C 13 20.703 0.300 . 2 . . . . 34 VAL CG1 . 11258 1 346 . 1 1 34 34 VAL CG2 C 13 20.551 0.300 . 2 . . . . 34 VAL CG2 . 11258 1 347 . 1 1 34 34 VAL N N 15 126.254 0.300 . 1 . . . . 34 VAL N . 11258 1 348 . 1 1 35 35 ALA H H 1 8.119 0.030 . 1 . . . . 35 ALA H . 11258 1 349 . 1 1 35 35 ALA HA H 1 4.768 0.030 . 1 . . . . 35 ALA HA . 11258 1 350 . 1 1 35 35 ALA HB1 H 1 1.181 0.030 . 1 . . . . 35 ALA HB . 11258 1 351 . 1 1 35 35 ALA HB2 H 1 1.181 0.030 . 1 . . . . 35 ALA HB . 11258 1 352 . 1 1 35 35 ALA HB3 H 1 1.181 0.030 . 1 . . . . 35 ALA HB . 11258 1 353 . 1 1 35 35 ALA C C 13 175.914 0.300 . 1 . . . . 35 ALA C . 11258 1 354 . 1 1 35 35 ALA CA C 13 50.037 0.300 . 1 . . . . 35 ALA CA . 11258 1 355 . 1 1 35 35 ALA CB C 13 18.782 0.300 . 1 . . . . 35 ALA CB . 11258 1 356 . 1 1 35 35 ALA N N 15 130.355 0.300 . 1 . . . . 35 ALA N . 11258 1 357 . 1 1 36 36 LEU H H 1 8.537 0.030 . 1 . . . . 36 LEU H . 11258 1 358 . 1 1 36 36 LEU HA H 1 3.879 0.030 . 1 . . . . 36 LEU HA . 11258 1 359 . 1 1 36 36 LEU HB2 H 1 0.831 0.030 . 2 . . . . 36 LEU HB2 . 11258 1 360 . 1 1 36 36 LEU HB3 H 1 -0.479 0.030 . 2 . . . . 36 LEU HB3 . 11258 1 361 . 1 1 36 36 LEU HD11 H 1 -0.385 0.030 . 1 . . . . 36 LEU HD1 . 11258 1 362 . 1 1 36 36 LEU HD12 H 1 -0.385 0.030 . 1 . . . . 36 LEU HD1 . 11258 1 363 . 1 1 36 36 LEU HD13 H 1 -0.385 0.030 . 1 . . . . 36 LEU HD1 . 11258 1 364 . 1 1 36 36 LEU HD21 H 1 -1.249 0.030 . 1 . . . . 36 LEU HD2 . 11258 1 365 . 1 1 36 36 LEU HD22 H 1 -1.249 0.030 . 1 . . . . 36 LEU HD2 . 11258 1 366 . 1 1 36 36 LEU HD23 H 1 -1.249 0.030 . 1 . . . . 36 LEU HD2 . 11258 1 367 . 1 1 36 36 LEU HG H 1 0.592 0.030 . 1 . . . . 36 LEU HG . 11258 1 368 . 1 1 36 36 LEU C C 13 174.818 0.300 . 1 . . . . 36 LEU C . 11258 1 369 . 1 1 36 36 LEU CA C 13 51.178 0.300 . 1 . . . . 36 LEU CA . 11258 1 370 . 1 1 36 36 LEU CB C 13 39.416 0.300 . 1 . . . . 36 LEU CB . 11258 1 371 . 1 1 36 36 LEU CD1 C 13 24.636 0.300 . 2 . . . . 36 LEU CD1 . 11258 1 372 . 1 1 36 36 LEU CD2 C 13 19.954 0.300 . 2 . . . . 36 LEU CD2 . 11258 1 373 . 1 1 36 36 LEU CG C 13 24.964 0.300 . 1 . . . . 36 LEU CG . 11258 1 374 . 1 1 36 36 LEU N N 15 126.291 0.300 . 1 . . . . 36 LEU N . 11258 1 375 . 1 1 37 37 PRO HA H 1 4.473 0.030 . 1 . . . . 37 PRO HA . 11258 1 376 . 1 1 37 37 PRO HB2 H 1 2.243 0.030 . 2 . . . . 37 PRO HB2 . 11258 1 377 . 1 1 37 37 PRO HB3 H 1 2.405 0.030 . 2 . . . . 37 PRO HB3 . 11258 1 378 . 1 1 37 37 PRO HD2 H 1 3.539 0.030 . 2 . . . . 37 PRO HD2 . 11258 1 379 . 1 1 37 37 PRO HD3 H 1 3.825 0.030 . 2 . . . . 37 PRO HD3 . 11258 1 380 . 1 1 37 37 PRO HG2 H 1 2.343 0.030 . 2 . . . . 37 PRO HG2 . 11258 1 381 . 1 1 37 37 PRO HG3 H 1 2.411 0.030 . 2 . . . . 37 PRO HG3 . 11258 1 382 . 1 1 37 37 PRO C C 13 176.959 0.300 . 1 . . . . 37 PRO C . 11258 1 383 . 1 1 37 37 PRO CA C 13 62.233 0.300 . 1 . . . . 37 PRO CA . 11258 1 384 . 1 1 37 37 PRO CB C 13 32.542 0.300 . 1 . . . . 37 PRO CB . 11258 1 385 . 1 1 37 37 PRO CD C 13 50.307 0.300 . 1 . . . . 37 PRO CD . 11258 1 386 . 1 1 37 37 PRO CG C 13 27.308 0.300 . 1 . . . . 37 PRO CG . 11258 1 387 . 1 1 38 38 GLY H H 1 8.565 0.030 . 1 . . . . 38 GLY H . 11258 1 388 . 1 1 38 38 GLY HA2 H 1 3.606 0.030 . 2 . . . . 38 GLY HA2 . 11258 1 389 . 1 1 38 38 GLY HA3 H 1 4.140 0.030 . 2 . . . . 38 GLY HA3 . 11258 1 390 . 1 1 38 38 GLY C C 13 173.889 0.300 . 1 . . . . 38 GLY C . 11258 1 391 . 1 1 38 38 GLY CA C 13 46.172 0.300 . 1 . . . . 38 GLY CA . 11258 1 392 . 1 1 38 38 GLY N N 15 107.318 0.300 . 1 . . . . 38 GLY N . 11258 1 393 . 1 1 39 39 GLN H H 1 8.324 0.030 . 1 . . . . 39 GLN H . 11258 1 394 . 1 1 39 39 GLN HA H 1 4.712 0.030 . 1 . . . . 39 GLN HA . 11258 1 395 . 1 1 39 39 GLN HB2 H 1 2.283 0.030 . 2 . . . . 39 GLN HB2 . 11258 1 396 . 1 1 39 39 GLN HB3 H 1 1.871 0.030 . 2 . . . . 39 GLN HB3 . 11258 1 397 . 1 1 39 39 GLN HE21 H 1 6.242 0.030 . 2 . . . . 39 GLN HE21 . 11258 1 398 . 1 1 39 39 GLN HE22 H 1 5.157 0.030 . 2 . . . . 39 GLN HE22 . 11258 1 399 . 1 1 39 39 GLN HG2 H 1 2.245 0.030 . 1 . . . . 39 GLN HG2 . 11258 1 400 . 1 1 39 39 GLN HG3 H 1 2.245 0.030 . 1 . . . . 39 GLN HG3 . 11258 1 401 . 1 1 39 39 GLN C C 13 174.726 0.300 . 1 . . . . 39 GLN C . 11258 1 402 . 1 1 39 39 GLN CA C 13 54.520 0.300 . 1 . . . . 39 GLN CA . 11258 1 403 . 1 1 39 39 GLN CB C 13 30.194 0.300 . 1 . . . . 39 GLN CB . 11258 1 404 . 1 1 39 39 GLN CG C 13 31.051 0.300 . 1 . . . . 39 GLN CG . 11258 1 405 . 1 1 39 39 GLN N N 15 119.739 0.300 . 1 . . . . 39 GLN N . 11258 1 406 . 1 1 39 39 GLN NE2 N 15 108.588 0.300 . 1 . . . . 39 GLN NE2 . 11258 1 407 . 1 1 40 40 GLU H H 1 8.576 0.030 . 1 . . . . 40 GLU H . 11258 1 408 . 1 1 40 40 GLU HA H 1 4.059 0.030 . 1 . . . . 40 GLU HA . 11258 1 409 . 1 1 40 40 GLU HB2 H 1 1.953 0.030 . 2 . . . . 40 GLU HB2 . 11258 1 410 . 1 1 40 40 GLU HB3 H 1 2.011 0.030 . 2 . . . . 40 GLU HB3 . 11258 1 411 . 1 1 40 40 GLU HG2 H 1 2.295 0.030 . 2 . . . . 40 GLU HG2 . 11258 1 412 . 1 1 40 40 GLU HG3 H 1 2.258 0.030 . 2 . . . . 40 GLU HG3 . 11258 1 413 . 1 1 40 40 GLU C C 13 177.057 0.300 . 1 . . . . 40 GLU C . 11258 1 414 . 1 1 40 40 GLU CA C 13 59.167 0.300 . 1 . . . . 40 GLU CA . 11258 1 415 . 1 1 40 40 GLU CB C 13 30.014 0.300 . 1 . . . . 40 GLU CB . 11258 1 416 . 1 1 40 40 GLU CG C 13 36.654 0.300 . 1 . . . . 40 GLU CG . 11258 1 417 . 1 1 40 40 GLU N N 15 119.401 0.300 . 1 . . . . 40 GLU N . 11258 1 418 . 1 1 41 41 GLU H H 1 7.795 0.030 . 1 . . . . 41 GLU H . 11258 1 419 . 1 1 41 41 GLU HA H 1 4.562 0.030 . 1 . . . . 41 GLU HA . 11258 1 420 . 1 1 41 41 GLU HB2 H 1 1.629 0.030 . 2 . . . . 41 GLU HB2 . 11258 1 421 . 1 1 41 41 GLU HB3 H 1 1.819 0.030 . 2 . . . . 41 GLU HB3 . 11258 1 422 . 1 1 41 41 GLU HG2 H 1 2.162 0.030 . 1 . . . . 41 GLU HG2 . 11258 1 423 . 1 1 41 41 GLU HG3 H 1 2.162 0.030 . 1 . . . . 41 GLU HG3 . 11258 1 424 . 1 1 41 41 GLU C C 13 174.091 0.300 . 1 . . . . 41 GLU C . 11258 1 425 . 1 1 41 41 GLU CA C 13 53.880 0.300 . 1 . . . . 41 GLU CA . 11258 1 426 . 1 1 41 41 GLU CB C 13 29.041 0.300 . 1 . . . . 41 GLU CB . 11258 1 427 . 1 1 41 41 GLU CG C 13 35.885 0.300 . 1 . . . . 41 GLU CG . 11258 1 428 . 1 1 41 41 GLU N N 15 118.246 0.300 . 1 . . . . 41 GLU N . 11258 1 429 . 1 1 42 42 PRO HA H 1 4.334 0.030 . 1 . . . . 42 PRO HA . 11258 1 430 . 1 1 42 42 PRO HB2 H 1 2.268 0.030 . 2 . . . . 42 PRO HB2 . 11258 1 431 . 1 1 42 42 PRO HB3 H 1 1.665 0.030 . 2 . . . . 42 PRO HB3 . 11258 1 432 . 1 1 42 42 PRO HD2 H 1 3.529 0.030 . 2 . . . . 42 PRO HD2 . 11258 1 433 . 1 1 42 42 PRO HD3 H 1 3.853 0.030 . 2 . . . . 42 PRO HD3 . 11258 1 434 . 1 1 42 42 PRO HG2 H 1 1.954 0.030 . 2 . . . . 42 PRO HG2 . 11258 1 435 . 1 1 42 42 PRO HG3 H 1 2.042 0.030 . 2 . . . . 42 PRO HG3 . 11258 1 436 . 1 1 42 42 PRO C C 13 177.900 0.300 . 1 . . . . 42 PRO C . 11258 1 437 . 1 1 42 42 PRO CA C 13 62.809 0.300 . 1 . . . . 42 PRO CA . 11258 1 438 . 1 1 42 42 PRO CB C 13 32.076 0.300 . 1 . . . . 42 PRO CB . 11258 1 439 . 1 1 42 42 PRO CD C 13 50.389 0.300 . 1 . . . . 42 PRO CD . 11258 1 440 . 1 1 42 42 PRO CG C 13 27.703 0.300 . 1 . . . . 42 PRO CG . 11258 1 441 . 1 1 43 43 TRP H H 1 8.648 0.030 . 1 . . . . 43 TRP H . 11258 1 442 . 1 1 43 43 TRP HA H 1 4.402 0.030 . 1 . . . . 43 TRP HA . 11258 1 443 . 1 1 43 43 TRP HB2 H 1 2.996 0.030 . 1 . . . . 43 TRP HB2 . 11258 1 444 . 1 1 43 43 TRP HB3 H 1 2.996 0.030 . 1 . . . . 43 TRP HB3 . 11258 1 445 . 1 1 43 43 TRP HD1 H 1 7.311 0.030 . 1 . . . . 43 TRP HD1 . 11258 1 446 . 1 1 43 43 TRP HE1 H 1 10.246 0.030 . 1 . . . . 43 TRP HE1 . 11258 1 447 . 1 1 43 43 TRP HE3 H 1 7.347 0.030 . 1 . . . . 43 TRP HE3 . 11258 1 448 . 1 1 43 43 TRP HH2 H 1 7.308 0.030 . 1 . . . . 43 TRP HH2 . 11258 1 449 . 1 1 43 43 TRP HZ2 H 1 7.409 0.030 . 1 . . . . 43 TRP HZ2 . 11258 1 450 . 1 1 43 43 TRP HZ3 H 1 7.035 0.030 . 1 . . . . 43 TRP HZ3 . 11258 1 451 . 1 1 43 43 TRP C C 13 175.894 0.300 . 1 . . . . 43 TRP C . 11258 1 452 . 1 1 43 43 TRP CA C 13 58.674 0.300 . 1 . . . . 43 TRP CA . 11258 1 453 . 1 1 43 43 TRP CB C 13 29.969 0.300 . 1 . . . . 43 TRP CB . 11258 1 454 . 1 1 43 43 TRP CD1 C 13 126.855 0.300 . 1 . . . . 43 TRP CD1 . 11258 1 455 . 1 1 43 43 TRP CE3 C 13 119.155 0.300 . 1 . . . . 43 TRP CE3 . 11258 1 456 . 1 1 43 43 TRP CH2 C 13 124.832 0.300 . 1 . . . . 43 TRP CH2 . 11258 1 457 . 1 1 43 43 TRP CZ2 C 13 115.406 0.300 . 1 . . . . 43 TRP CZ2 . 11258 1 458 . 1 1 43 43 TRP CZ3 C 13 121.508 0.300 . 1 . . . . 43 TRP CZ3 . 11258 1 459 . 1 1 43 43 TRP N N 15 123.614 0.300 . 1 . . . . 43 TRP N . 11258 1 460 . 1 1 43 43 TRP NE1 N 15 129.187 0.300 . 1 . . . . 43 TRP NE1 . 11258 1 461 . 1 1 44 44 ASP H H 1 8.140 0.030 . 1 . . . . 44 ASP H . 11258 1 462 . 1 1 44 44 ASP HA H 1 5.766 0.030 . 1 . . . . 44 ASP HA . 11258 1 463 . 1 1 44 44 ASP HB2 H 1 3.283 0.030 . 2 . . . . 44 ASP HB2 . 11258 1 464 . 1 1 44 44 ASP HB3 H 1 2.544 0.030 . 2 . . . . 44 ASP HB3 . 11258 1 465 . 1 1 44 44 ASP C C 13 176.603 0.300 . 1 . . . . 44 ASP C . 11258 1 466 . 1 1 44 44 ASP CA C 13 51.395 0.300 . 1 . . . . 44 ASP CA . 11258 1 467 . 1 1 44 44 ASP CB C 13 43.200 0.300 . 1 . . . . 44 ASP CB . 11258 1 468 . 1 1 44 44 ASP N N 15 123.917 0.300 . 1 . . . . 44 ASP N . 11258 1 469 . 1 1 45 45 ILE H H 1 7.935 0.030 . 1 . . . . 45 ILE H . 11258 1 470 . 1 1 45 45 ILE HA H 1 4.157 0.030 . 1 . . . . 45 ILE HA . 11258 1 471 . 1 1 45 45 ILE HB H 1 2.836 0.030 . 1 . . . . 45 ILE HB . 11258 1 472 . 1 1 45 45 ILE HD11 H 1 1.026 0.030 . 1 . . . . 45 ILE HD1 . 11258 1 473 . 1 1 45 45 ILE HD12 H 1 1.026 0.030 . 1 . . . . 45 ILE HD1 . 11258 1 474 . 1 1 45 45 ILE HD13 H 1 1.026 0.030 . 1 . . . . 45 ILE HD1 . 11258 1 475 . 1 1 45 45 ILE HG12 H 1 2.160 0.030 . 2 . . . . 45 ILE HG12 . 11258 1 476 . 1 1 45 45 ILE HG13 H 1 1.993 0.030 . 2 . . . . 45 ILE HG13 . 11258 1 477 . 1 1 45 45 ILE HG21 H 1 1.363 0.030 . 1 . . . . 45 ILE HG2 . 11258 1 478 . 1 1 45 45 ILE HG22 H 1 1.363 0.030 . 1 . . . . 45 ILE HG2 . 11258 1 479 . 1 1 45 45 ILE HG23 H 1 1.363 0.030 . 1 . . . . 45 ILE HG2 . 11258 1 480 . 1 1 45 45 ILE C C 13 177.508 0.300 . 1 . . . . 45 ILE C . 11258 1 481 . 1 1 45 45 ILE CA C 13 63.792 0.300 . 1 . . . . 45 ILE CA . 11258 1 482 . 1 1 45 45 ILE CB C 13 34.844 0.300 . 1 . . . . 45 ILE CB . 11258 1 483 . 1 1 45 45 ILE CD1 C 13 10.580 0.300 . 1 . . . . 45 ILE CD1 . 11258 1 484 . 1 1 45 45 ILE CG1 C 13 29.056 0.300 . 1 . . . . 45 ILE CG1 . 11258 1 485 . 1 1 45 45 ILE CG2 C 13 17.901 0.300 . 1 . . . . 45 ILE CG2 . 11258 1 486 . 1 1 45 45 ILE N N 15 119.668 0.300 . 1 . . . . 45 ILE N . 11258 1 487 . 1 1 46 46 ARG H H 1 8.754 0.030 . 1 . . . . 46 ARG H . 11258 1 488 . 1 1 46 46 ARG HA H 1 4.019 0.030 . 1 . . . . 46 ARG HA . 11258 1 489 . 1 1 46 46 ARG HB2 H 1 2.193 0.030 . 2 . . . . 46 ARG HB2 . 11258 1 490 . 1 1 46 46 ARG HB3 H 1 2.090 0.030 . 2 . . . . 46 ARG HB3 . 11258 1 491 . 1 1 46 46 ARG HD2 H 1 3.346 0.030 . 2 . . . . 46 ARG HD2 . 11258 1 492 . 1 1 46 46 ARG HD3 H 1 3.473 0.030 . 2 . . . . 46 ARG HD3 . 11258 1 493 . 1 1 46 46 ARG HE H 1 7.664 0.030 . 1 . . . . 46 ARG HE . 11258 1 494 . 1 1 46 46 ARG HG2 H 1 1.623 0.030 . 2 . . . . 46 ARG HG2 . 11258 1 495 . 1 1 46 46 ARG HG3 H 1 1.744 0.030 . 2 . . . . 46 ARG HG3 . 11258 1 496 . 1 1 46 46 ARG C C 13 179.027 0.300 . 1 . . . . 46 ARG C . 11258 1 497 . 1 1 46 46 ARG CA C 13 61.255 0.300 . 1 . . . . 46 ARG CA . 11258 1 498 . 1 1 46 46 ARG CB C 13 30.908 0.300 . 1 . . . . 46 ARG CB . 11258 1 499 . 1 1 46 46 ARG CD C 13 43.069 0.300 . 1 . . . . 46 ARG CD . 11258 1 500 . 1 1 46 46 ARG CG C 13 28.922 0.300 . 1 . . . . 46 ARG CG . 11258 1 501 . 1 1 46 46 ARG N N 15 121.189 0.300 . 1 . . . . 46 ARG N . 11258 1 502 . 1 1 46 46 ARG NE N 15 83.500 0.300 . 1 . . . . 46 ARG NE . 11258 1 503 . 1 1 47 47 ASN H H 1 9.113 0.030 . 1 . . . . 47 ASN H . 11258 1 504 . 1 1 47 47 ASN HA H 1 4.810 0.030 . 1 . . . . 47 ASN HA . 11258 1 505 . 1 1 47 47 ASN HB2 H 1 2.889 0.030 . 2 . . . . 47 ASN HB2 . 11258 1 506 . 1 1 47 47 ASN HB3 H 1 3.064 0.030 . 2 . . . . 47 ASN HB3 . 11258 1 507 . 1 1 47 47 ASN HD21 H 1 6.973 0.030 . 2 . . . . 47 ASN HD21 . 11258 1 508 . 1 1 47 47 ASN HD22 H 1 8.012 0.030 . 2 . . . . 47 ASN HD22 . 11258 1 509 . 1 1 47 47 ASN C C 13 179.462 0.300 . 1 . . . . 47 ASN C . 11258 1 510 . 1 1 47 47 ASN CA C 13 56.453 0.300 . 1 . . . . 47 ASN CA . 11258 1 511 . 1 1 47 47 ASN CB C 13 38.894 0.300 . 1 . . . . 47 ASN CB . 11258 1 512 . 1 1 47 47 ASN N N 15 117.613 0.300 . 1 . . . . 47 ASN N . 11258 1 513 . 1 1 47 47 ASN ND2 N 15 113.595 0.300 . 1 . . . . 47 ASN ND2 . 11258 1 514 . 1 1 48 48 LEU H H 1 9.398 0.030 . 1 . . . . 48 LEU H . 11258 1 515 . 1 1 48 48 LEU HA H 1 4.630 0.030 . 1 . . . . 48 LEU HA . 11258 1 516 . 1 1 48 48 LEU HB2 H 1 2.715 0.030 . 2 . . . . 48 LEU HB2 . 11258 1 517 . 1 1 48 48 LEU HB3 H 1 1.832 0.030 . 2 . . . . 48 LEU HB3 . 11258 1 518 . 1 1 48 48 LEU HD11 H 1 0.857 0.030 . 1 . . . . 48 LEU HD1 . 11258 1 519 . 1 1 48 48 LEU HD12 H 1 0.857 0.030 . 1 . . . . 48 LEU HD1 . 11258 1 520 . 1 1 48 48 LEU HD13 H 1 0.857 0.030 . 1 . . . . 48 LEU HD1 . 11258 1 521 . 1 1 48 48 LEU HD21 H 1 1.102 0.030 . 1 . . . . 48 LEU HD2 . 11258 1 522 . 1 1 48 48 LEU HD22 H 1 1.102 0.030 . 1 . . . . 48 LEU HD2 . 11258 1 523 . 1 1 48 48 LEU HD23 H 1 1.102 0.030 . 1 . . . . 48 LEU HD2 . 11258 1 524 . 1 1 48 48 LEU HG H 1 1.897 0.030 . 1 . . . . 48 LEU HG . 11258 1 525 . 1 1 48 48 LEU C C 13 178.837 0.300 . 1 . . . . 48 LEU C . 11258 1 526 . 1 1 48 48 LEU CA C 13 58.838 0.300 . 1 . . . . 48 LEU CA . 11258 1 527 . 1 1 48 48 LEU CB C 13 41.610 0.300 . 1 . . . . 48 LEU CB . 11258 1 528 . 1 1 48 48 LEU CD1 C 13 23.000 0.300 . 2 . . . . 48 LEU CD1 . 11258 1 529 . 1 1 48 48 LEU CD2 C 13 26.677 0.300 . 2 . . . . 48 LEU CD2 . 11258 1 530 . 1 1 48 48 LEU CG C 13 27.423 0.300 . 1 . . . . 48 LEU CG . 11258 1 531 . 1 1 48 48 LEU N N 15 126.482 0.300 . 1 . . . . 48 LEU N . 11258 1 532 . 1 1 49 49 LEU H H 1 8.988 0.030 . 1 . . . . 49 LEU H . 11258 1 533 . 1 1 49 49 LEU HA H 1 4.150 0.030 . 1 . . . . 49 LEU HA . 11258 1 534 . 1 1 49 49 LEU HB2 H 1 2.321 0.030 . 2 . . . . 49 LEU HB2 . 11258 1 535 . 1 1 49 49 LEU HB3 H 1 1.383 0.030 . 2 . . . . 49 LEU HB3 . 11258 1 536 . 1 1 49 49 LEU HD11 H 1 0.829 0.030 . 1 . . . . 49 LEU HD1 . 11258 1 537 . 1 1 49 49 LEU HD12 H 1 0.829 0.030 . 1 . . . . 49 LEU HD1 . 11258 1 538 . 1 1 49 49 LEU HD13 H 1 0.829 0.030 . 1 . . . . 49 LEU HD1 . 11258 1 539 . 1 1 49 49 LEU HD21 H 1 1.043 0.030 . 1 . . . . 49 LEU HD2 . 11258 1 540 . 1 1 49 49 LEU HD22 H 1 1.043 0.030 . 1 . . . . 49 LEU HD2 . 11258 1 541 . 1 1 49 49 LEU HD23 H 1 1.043 0.030 . 1 . . . . 49 LEU HD2 . 11258 1 542 . 1 1 49 49 LEU HG H 1 2.252 0.030 . 1 . . . . 49 LEU HG . 11258 1 543 . 1 1 49 49 LEU C C 13 179.042 0.300 . 1 . . . . 49 LEU C . 11258 1 544 . 1 1 49 49 LEU CA C 13 59.053 0.300 . 1 . . . . 49 LEU CA . 11258 1 545 . 1 1 49 49 LEU CB C 13 41.147 0.300 . 1 . . . . 49 LEU CB . 11258 1 546 . 1 1 49 49 LEU CD1 C 13 23.494 0.300 . 2 . . . . 49 LEU CD1 . 11258 1 547 . 1 1 49 49 LEU CD2 C 13 26.787 0.300 . 2 . . . . 49 LEU CD2 . 11258 1 548 . 1 1 49 49 LEU CG C 13 26.925 0.300 . 1 . . . . 49 LEU CG . 11258 1 549 . 1 1 49 49 LEU N N 15 118.824 0.300 . 1 . . . . 49 LEU N . 11258 1 550 . 1 1 50 50 VAL H H 1 7.224 0.030 . 1 . . . . 50 VAL H . 11258 1 551 . 1 1 50 50 VAL HA H 1 3.660 0.030 . 1 . . . . 50 VAL HA . 11258 1 552 . 1 1 50 50 VAL HB H 1 2.573 0.030 . 1 . . . . 50 VAL HB . 11258 1 553 . 1 1 50 50 VAL HG11 H 1 1.115 0.030 . 1 . . . . 50 VAL HG1 . 11258 1 554 . 1 1 50 50 VAL HG12 H 1 1.115 0.030 . 1 . . . . 50 VAL HG1 . 11258 1 555 . 1 1 50 50 VAL HG13 H 1 1.115 0.030 . 1 . . . . 50 VAL HG1 . 11258 1 556 . 1 1 50 50 VAL HG21 H 1 1.245 0.030 . 1 . . . . 50 VAL HG2 . 11258 1 557 . 1 1 50 50 VAL HG22 H 1 1.245 0.030 . 1 . . . . 50 VAL HG2 . 11258 1 558 . 1 1 50 50 VAL HG23 H 1 1.245 0.030 . 1 . . . . 50 VAL HG2 . 11258 1 559 . 1 1 50 50 VAL C C 13 177.718 0.300 . 1 . . . . 50 VAL C . 11258 1 560 . 1 1 50 50 VAL CA C 13 67.118 0.300 . 1 . . . . 50 VAL CA . 11258 1 561 . 1 1 50 50 VAL CB C 13 31.983 0.300 . 1 . . . . 50 VAL CB . 11258 1 562 . 1 1 50 50 VAL CG1 C 13 21.684 0.300 . 2 . . . . 50 VAL CG1 . 11258 1 563 . 1 1 50 50 VAL CG2 C 13 22.505 0.300 . 2 . . . . 50 VAL CG2 . 11258 1 564 . 1 1 50 50 VAL N N 15 118.784 0.300 . 1 . . . . 50 VAL N . 11258 1 565 . 1 1 51 51 TRP H H 1 8.379 0.030 . 1 . . . . 51 TRP H . 11258 1 566 . 1 1 51 51 TRP HA H 1 4.093 0.030 . 1 . . . . 51 TRP HA . 11258 1 567 . 1 1 51 51 TRP HB2 H 1 3.664 0.030 . 2 . . . . 51 TRP HB2 . 11258 1 568 . 1 1 51 51 TRP HB3 H 1 3.887 0.030 . 2 . . . . 51 TRP HB3 . 11258 1 569 . 1 1 51 51 TRP HD1 H 1 7.414 0.030 . 1 . . . . 51 TRP HD1 . 11258 1 570 . 1 1 51 51 TRP HE1 H 1 10.241 0.030 . 1 . . . . 51 TRP HE1 . 11258 1 571 . 1 1 51 51 TRP HE3 H 1 7.317 0.030 . 1 . . . . 51 TRP HE3 . 11258 1 572 . 1 1 51 51 TRP HH2 H 1 7.193 0.030 . 1 . . . . 51 TRP HH2 . 11258 1 573 . 1 1 51 51 TRP HZ2 H 1 7.442 0.030 . 1 . . . . 51 TRP HZ2 . 11258 1 574 . 1 1 51 51 TRP HZ3 H 1 6.796 0.030 . 1 . . . . 51 TRP HZ3 . 11258 1 575 . 1 1 51 51 TRP C C 13 180.414 0.300 . 1 . . . . 51 TRP C . 11258 1 576 . 1 1 51 51 TRP CA C 13 63.280 0.300 . 1 . . . . 51 TRP CA . 11258 1 577 . 1 1 51 51 TRP CB C 13 29.422 0.300 . 1 . . . . 51 TRP CB . 11258 1 578 . 1 1 51 51 TRP CD1 C 13 126.722 0.300 . 1 . . . . 51 TRP CD1 . 11258 1 579 . 1 1 51 51 TRP CE3 C 13 119.579 0.300 . 1 . . . . 51 TRP CE3 . 11258 1 580 . 1 1 51 51 TRP CH2 C 13 124.587 0.300 . 1 . . . . 51 TRP CH2 . 11258 1 581 . 1 1 51 51 TRP CZ2 C 13 114.808 0.300 . 1 . . . . 51 TRP CZ2 . 11258 1 582 . 1 1 51 51 TRP CZ3 C 13 121.216 0.300 . 1 . . . . 51 TRP CZ3 . 11258 1 583 . 1 1 51 51 TRP N N 15 121.777 0.300 . 1 . . . . 51 TRP N . 11258 1 584 . 1 1 51 51 TRP NE1 N 15 129.731 0.300 . 1 . . . . 51 TRP NE1 . 11258 1 585 . 1 1 52 52 ILE H H 1 9.701 0.030 . 1 . . . . 52 ILE H . 11258 1 586 . 1 1 52 52 ILE HA H 1 3.554 0.030 . 1 . . . . 52 ILE HA . 11258 1 587 . 1 1 52 52 ILE HB H 1 2.315 0.030 . 1 . . . . 52 ILE HB . 11258 1 588 . 1 1 52 52 ILE HD11 H 1 0.997 0.030 . 1 . . . . 52 ILE HD1 . 11258 1 589 . 1 1 52 52 ILE HD12 H 1 0.997 0.030 . 1 . . . . 52 ILE HD1 . 11258 1 590 . 1 1 52 52 ILE HD13 H 1 0.997 0.030 . 1 . . . . 52 ILE HD1 . 11258 1 591 . 1 1 52 52 ILE HG12 H 1 1.157 0.030 . 2 . . . . 52 ILE HG12 . 11258 1 592 . 1 1 52 52 ILE HG13 H 1 2.538 0.030 . 2 . . . . 52 ILE HG13 . 11258 1 593 . 1 1 52 52 ILE HG21 H 1 0.949 0.030 . 1 . . . . 52 ILE HG2 . 11258 1 594 . 1 1 52 52 ILE HG22 H 1 0.949 0.030 . 1 . . . . 52 ILE HG2 . 11258 1 595 . 1 1 52 52 ILE HG23 H 1 0.949 0.030 . 1 . . . . 52 ILE HG2 . 11258 1 596 . 1 1 52 52 ILE C C 13 178.464 0.300 . 1 . . . . 52 ILE C . 11258 1 597 . 1 1 52 52 ILE CA C 13 66.636 0.300 . 1 . . . . 52 ILE CA . 11258 1 598 . 1 1 52 52 ILE CB C 13 38.534 0.300 . 1 . . . . 52 ILE CB . 11258 1 599 . 1 1 52 52 ILE CD1 C 13 15.129 0.300 . 1 . . . . 52 ILE CD1 . 11258 1 600 . 1 1 52 52 ILE CG1 C 13 29.836 0.300 . 1 . . . . 52 ILE CG1 . 11258 1 601 . 1 1 52 52 ILE CG2 C 13 18.318 0.300 . 1 . . . . 52 ILE CG2 . 11258 1 602 . 1 1 52 52 ILE N N 15 120.649 0.300 . 1 . . . . 52 ILE N . 11258 1 603 . 1 1 53 53 LYS H H 1 8.660 0.030 . 1 . . . . 53 LYS H . 11258 1 604 . 1 1 53 53 LYS HA H 1 3.979 0.030 . 1 . . . . 53 LYS HA . 11258 1 605 . 1 1 53 53 LYS HB2 H 1 2.186 0.030 . 2 . . . . 53 LYS HB2 . 11258 1 606 . 1 1 53 53 LYS HB3 H 1 1.995 0.030 . 2 . . . . 53 LYS HB3 . 11258 1 607 . 1 1 53 53 LYS HD2 H 1 1.712 0.030 . 2 . . . . 53 LYS HD2 . 11258 1 608 . 1 1 53 53 LYS HD3 H 1 1.778 0.030 . 2 . . . . 53 LYS HD3 . 11258 1 609 . 1 1 53 53 LYS HE2 H 1 2.953 0.030 . 1 . . . . 53 LYS HE2 . 11258 1 610 . 1 1 53 53 LYS HE3 H 1 2.953 0.030 . 1 . . . . 53 LYS HE3 . 11258 1 611 . 1 1 53 53 LYS HG2 H 1 1.544 0.030 . 2 . . . . 53 LYS HG2 . 11258 1 612 . 1 1 53 53 LYS HG3 H 1 1.479 0.030 . 2 . . . . 53 LYS HG3 . 11258 1 613 . 1 1 53 53 LYS C C 13 176.823 0.300 . 1 . . . . 53 LYS C . 11258 1 614 . 1 1 53 53 LYS CA C 13 59.822 0.300 . 1 . . . . 53 LYS CA . 11258 1 615 . 1 1 53 53 LYS CB C 13 32.215 0.300 . 1 . . . . 53 LYS CB . 11258 1 616 . 1 1 53 53 LYS CD C 13 29.988 0.300 . 1 . . . . 53 LYS CD . 11258 1 617 . 1 1 53 53 LYS CE C 13 41.918 0.300 . 1 . . . . 53 LYS CE . 11258 1 618 . 1 1 53 53 LYS CG C 13 24.931 0.300 . 1 . . . . 53 LYS CG . 11258 1 619 . 1 1 53 53 LYS N N 15 122.603 0.300 . 1 . . . . 53 LYS N . 11258 1 620 . 1 1 54 54 LYS H H 1 7.816 0.030 . 1 . . . . 54 LYS H . 11258 1 621 . 1 1 54 54 LYS HA H 1 4.107 0.030 . 1 . . . . 54 LYS HA . 11258 1 622 . 1 1 54 54 LYS HB2 H 1 1.688 0.030 . 1 . . . . 54 LYS HB2 . 11258 1 623 . 1 1 54 54 LYS HB3 H 1 1.688 0.030 . 1 . . . . 54 LYS HB3 . 11258 1 624 . 1 1 54 54 LYS HD2 H 1 1.659 0.030 . 1 . . . . 54 LYS HD2 . 11258 1 625 . 1 1 54 54 LYS HD3 H 1 1.659 0.030 . 1 . . . . 54 LYS HD3 . 11258 1 626 . 1 1 54 54 LYS HE2 H 1 2.953 0.030 . 1 . . . . 54 LYS HE2 . 11258 1 627 . 1 1 54 54 LYS HE3 H 1 2.953 0.030 . 1 . . . . 54 LYS HE3 . 11258 1 628 . 1 1 54 54 LYS HG2 H 1 1.350 0.030 . 2 . . . . 54 LYS HG2 . 11258 1 629 . 1 1 54 54 LYS HG3 H 1 1.535 0.030 . 2 . . . . 54 LYS HG3 . 11258 1 630 . 1 1 54 54 LYS C C 13 177.835 0.300 . 1 . . . . 54 LYS C . 11258 1 631 . 1 1 54 54 LYS CA C 13 58.303 0.300 . 1 . . . . 54 LYS CA . 11258 1 632 . 1 1 54 54 LYS CB C 13 33.834 0.300 . 1 . . . . 54 LYS CB . 11258 1 633 . 1 1 54 54 LYS CD C 13 29.169 0.300 . 1 . . . . 54 LYS CD . 11258 1 634 . 1 1 54 54 LYS CE C 13 42.164 0.300 . 1 . . . . 54 LYS CE . 11258 1 635 . 1 1 54 54 LYS CG C 13 25.462 0.300 . 1 . . . . 54 LYS CG . 11258 1 636 . 1 1 54 54 LYS N N 15 114.990 0.300 . 1 . . . . 54 LYS N . 11258 1 637 . 1 1 55 55 ASN H H 1 7.880 0.030 . 1 . . . . 55 ASN H . 11258 1 638 . 1 1 55 55 ASN HA H 1 4.529 0.030 . 1 . . . . 55 ASN HA . 11258 1 639 . 1 1 55 55 ASN HB2 H 1 1.787 0.030 . 2 . . . . 55 ASN HB2 . 11258 1 640 . 1 1 55 55 ASN HB3 H 1 0.886 0.030 . 2 . . . . 55 ASN HB3 . 11258 1 641 . 1 1 55 55 ASN HD21 H 1 6.874 0.030 . 2 . . . . 55 ASN HD21 . 11258 1 642 . 1 1 55 55 ASN HD22 H 1 5.534 0.030 . 2 . . . . 55 ASN HD22 . 11258 1 643 . 1 1 55 55 ASN C C 13 174.666 0.300 . 1 . . . . 55 ASN C . 11258 1 644 . 1 1 55 55 ASN CA C 13 55.055 0.300 . 1 . . . . 55 ASN CA . 11258 1 645 . 1 1 55 55 ASN CB C 13 40.713 0.300 . 1 . . . . 55 ASN CB . 11258 1 646 . 1 1 55 55 ASN N N 15 112.461 0.300 . 1 . . . . 55 ASN N . 11258 1 647 . 1 1 55 55 ASN ND2 N 15 115.801 0.300 . 1 . . . . 55 ASN ND2 . 11258 1 648 . 1 1 56 56 LEU H H 1 8.129 0.030 . 1 . . . . 56 LEU H . 11258 1 649 . 1 1 56 56 LEU HA H 1 4.698 0.030 . 1 . . . . 56 LEU HA . 11258 1 650 . 1 1 56 56 LEU HB2 H 1 1.593 0.030 . 2 . . . . 56 LEU HB2 . 11258 1 651 . 1 1 56 56 LEU HB3 H 1 1.703 0.030 . 2 . . . . 56 LEU HB3 . 11258 1 652 . 1 1 56 56 LEU HD11 H 1 0.766 0.030 . 1 . . . . 56 LEU HD1 . 11258 1 653 . 1 1 56 56 LEU HD12 H 1 0.766 0.030 . 1 . . . . 56 LEU HD1 . 11258 1 654 . 1 1 56 56 LEU HD13 H 1 0.766 0.030 . 1 . . . . 56 LEU HD1 . 11258 1 655 . 1 1 56 56 LEU HD21 H 1 0.817 0.030 . 1 . . . . 56 LEU HD2 . 11258 1 656 . 1 1 56 56 LEU HD22 H 1 0.817 0.030 . 1 . . . . 56 LEU HD2 . 11258 1 657 . 1 1 56 56 LEU HD23 H 1 0.817 0.030 . 1 . . . . 56 LEU HD2 . 11258 1 658 . 1 1 56 56 LEU HG H 1 1.618 0.030 . 1 . . . . 56 LEU HG . 11258 1 659 . 1 1 56 56 LEU C C 13 176.239 0.300 . 1 . . . . 56 LEU C . 11258 1 660 . 1 1 56 56 LEU CA C 13 55.160 0.300 . 1 . . . . 56 LEU CA . 11258 1 661 . 1 1 56 56 LEU CB C 13 45.760 0.300 . 1 . . . . 56 LEU CB . 11258 1 662 . 1 1 56 56 LEU CD1 C 13 24.607 0.300 . 2 . . . . 56 LEU CD1 . 11258 1 663 . 1 1 56 56 LEU CD2 C 13 22.918 0.300 . 2 . . . . 56 LEU CD2 . 11258 1 664 . 1 1 56 56 LEU CG C 13 26.925 0.300 . 1 . . . . 56 LEU CG . 11258 1 665 . 1 1 56 56 LEU N N 15 117.350 0.300 . 1 . . . . 56 LEU N . 11258 1 666 . 1 1 57 57 LEU H H 1 7.316 0.030 . 1 . . . . 57 LEU H . 11258 1 667 . 1 1 57 57 LEU HA H 1 3.509 0.030 . 1 . . . . 57 LEU HA . 11258 1 668 . 1 1 57 57 LEU HB2 H 1 1.953 0.030 . 2 . . . . 57 LEU HB2 . 11258 1 669 . 1 1 57 57 LEU HB3 H 1 1.097 0.030 . 2 . . . . 57 LEU HB3 . 11258 1 670 . 1 1 57 57 LEU HD11 H 1 0.323 0.030 . 1 . . . . 57 LEU HD1 . 11258 1 671 . 1 1 57 57 LEU HD12 H 1 0.323 0.030 . 1 . . . . 57 LEU HD1 . 11258 1 672 . 1 1 57 57 LEU HD13 H 1 0.323 0.030 . 1 . . . . 57 LEU HD1 . 11258 1 673 . 1 1 57 57 LEU HD21 H 1 0.699 0.030 . 1 . . . . 57 LEU HD2 . 11258 1 674 . 1 1 57 57 LEU HD22 H 1 0.699 0.030 . 1 . . . . 57 LEU HD2 . 11258 1 675 . 1 1 57 57 LEU HD23 H 1 0.699 0.030 . 1 . . . . 57 LEU HD2 . 11258 1 676 . 1 1 57 57 LEU HG H 1 1.363 0.030 . 1 . . . . 57 LEU HG . 11258 1 677 . 1 1 57 57 LEU C C 13 176.202 0.300 . 1 . . . . 57 LEU C . 11258 1 678 . 1 1 57 57 LEU CA C 13 56.470 0.300 . 1 . . . . 57 LEU CA . 11258 1 679 . 1 1 57 57 LEU CB C 13 43.161 0.300 . 1 . . . . 57 LEU CB . 11258 1 680 . 1 1 57 57 LEU CD1 C 13 24.686 0.300 . 2 . . . . 57 LEU CD1 . 11258 1 681 . 1 1 57 57 LEU CD2 C 13 26.945 0.300 . 2 . . . . 57 LEU CD2 . 11258 1 682 . 1 1 57 57 LEU CG C 13 26.948 0.300 . 1 . . . . 57 LEU CG . 11258 1 683 . 1 1 57 57 LEU N N 15 119.735 0.300 . 1 . . . . 57 LEU N . 11258 1 684 . 1 1 58 58 LYS H H 1 8.022 0.030 . 1 . . . . 58 LYS H . 11258 1 685 . 1 1 58 58 LYS HA H 1 4.374 0.030 . 1 . . . . 58 LYS HA . 11258 1 686 . 1 1 58 58 LYS HB2 H 1 1.720 0.030 . 2 . . . . 58 LYS HB2 . 11258 1 687 . 1 1 58 58 LYS HB3 H 1 1.793 0.030 . 2 . . . . 58 LYS HB3 . 11258 1 688 . 1 1 58 58 LYS HD2 H 1 1.539 0.030 . 1 . . . . 58 LYS HD2 . 11258 1 689 . 1 1 58 58 LYS HD3 H 1 1.539 0.030 . 1 . . . . 58 LYS HD3 . 11258 1 690 . 1 1 58 58 LYS HE2 H 1 2.967 0.030 . 1 . . . . 58 LYS HE2 . 11258 1 691 . 1 1 58 58 LYS HE3 H 1 2.967 0.030 . 1 . . . . 58 LYS HE3 . 11258 1 692 . 1 1 58 58 LYS HG2 H 1 1.381 0.030 . 2 . . . . 58 LYS HG2 . 11258 1 693 . 1 1 58 58 LYS HG3 H 1 1.412 0.030 . 2 . . . . 58 LYS HG3 . 11258 1 694 . 1 1 58 58 LYS C C 13 176.402 0.300 . 1 . . . . 58 LYS C . 11258 1 695 . 1 1 58 58 LYS CA C 13 55.301 0.300 . 1 . . . . 58 LYS CA . 11258 1 696 . 1 1 58 58 LYS CB C 13 32.950 0.300 . 1 . . . . 58 LYS CB . 11258 1 697 . 1 1 58 58 LYS CD C 13 28.170 0.300 . 1 . . . . 58 LYS CD . 11258 1 698 . 1 1 58 58 LYS CE C 13 42.000 0.300 . 1 . . . . 58 LYS CE . 11258 1 699 . 1 1 58 58 LYS CG C 13 23.811 0.300 . 1 . . . . 58 LYS CG . 11258 1 700 . 1 1 58 58 LYS N N 15 125.047 0.300 . 1 . . . . 58 LYS N . 11258 1 701 . 1 1 59 59 GLU H H 1 6.919 0.030 . 1 . . . . 59 GLU H . 11258 1 702 . 1 1 59 59 GLU HA H 1 4.461 0.030 . 1 . . . . 59 GLU HA . 11258 1 703 . 1 1 59 59 GLU HB2 H 1 2.177 0.030 . 2 . . . . 59 GLU HB2 . 11258 1 704 . 1 1 59 59 GLU HB3 H 1 1.562 0.030 . 2 . . . . 59 GLU HB3 . 11258 1 705 . 1 1 59 59 GLU HG2 H 1 2.268 0.030 . 2 . . . . 59 GLU HG2 . 11258 1 706 . 1 1 59 59 GLU HG3 H 1 2.175 0.030 . 2 . . . . 59 GLU HG3 . 11258 1 707 . 1 1 59 59 GLU C C 13 173.792 0.300 . 1 . . . . 59 GLU C . 11258 1 708 . 1 1 59 59 GLU CA C 13 54.767 0.300 . 1 . . . . 59 GLU CA . 11258 1 709 . 1 1 59 59 GLU CB C 13 33.132 0.300 . 1 . . . . 59 GLU CB . 11258 1 710 . 1 1 59 59 GLU CG C 13 36.078 0.300 . 1 . . . . 59 GLU CG . 11258 1 711 . 1 1 59 59 GLU N N 15 117.598 0.300 . 1 . . . . 59 GLU N . 11258 1 712 . 1 1 60 60 ARG H H 1 8.708 0.030 . 1 . . . . 60 ARG H . 11258 1 713 . 1 1 60 60 ARG HA H 1 4.271 0.030 . 1 . . . . 60 ARG HA . 11258 1 714 . 1 1 60 60 ARG HB2 H 1 1.832 0.030 . 1 . . . . 60 ARG HB2 . 11258 1 715 . 1 1 60 60 ARG HB3 H 1 1.832 0.030 . 1 . . . . 60 ARG HB3 . 11258 1 716 . 1 1 60 60 ARG HD2 H 1 3.231 0.030 . 1 . . . . 60 ARG HD2 . 11258 1 717 . 1 1 60 60 ARG HD3 H 1 3.231 0.030 . 1 . . . . 60 ARG HD3 . 11258 1 718 . 1 1 60 60 ARG HE H 1 7.487 0.030 . 1 . . . . 60 ARG HE . 11258 1 719 . 1 1 60 60 ARG HG2 H 1 1.707 0.030 . 1 . . . . 60 ARG HG2 . 11258 1 720 . 1 1 60 60 ARG HG3 H 1 1.707 0.030 . 1 . . . . 60 ARG HG3 . 11258 1 721 . 1 1 60 60 ARG C C 13 174.600 0.300 . 1 . . . . 60 ARG C . 11258 1 722 . 1 1 60 60 ARG CA C 13 55.175 0.300 . 1 . . . . 60 ARG CA . 11258 1 723 . 1 1 60 60 ARG CB C 13 29.287 0.300 . 1 . . . . 60 ARG CB . 11258 1 724 . 1 1 60 60 ARG CD C 13 43.530 0.300 . 1 . . . . 60 ARG CD . 11258 1 725 . 1 1 60 60 ARG CG C 13 27.237 0.300 . 1 . . . . 60 ARG CG . 11258 1 726 . 1 1 60 60 ARG N N 15 116.108 0.300 . 1 . . . . 60 ARG N . 11258 1 727 . 1 1 60 60 ARG NE N 15 84.882 0.300 . 1 . . . . 60 ARG NE . 11258 1 728 . 1 1 61 61 PRO HA H 1 4.207 0.030 . 1 . . . . 61 PRO HA . 11258 1 729 . 1 1 61 61 PRO HB2 H 1 2.079 0.030 . 2 . . . . 61 PRO HB2 . 11258 1 730 . 1 1 61 61 PRO HB3 H 1 2.131 0.030 . 2 . . . . 61 PRO HB3 . 11258 1 731 . 1 1 61 61 PRO HD2 H 1 3.631 0.030 . 2 . . . . 61 PRO HD2 . 11258 1 732 . 1 1 61 61 PRO HD3 H 1 3.816 0.030 . 2 . . . . 61 PRO HD3 . 11258 1 733 . 1 1 61 61 PRO HG2 H 1 2.135 0.030 . 2 . . . . 61 PRO HG2 . 11258 1 734 . 1 1 61 61 PRO HG3 H 1 2.048 0.030 . 2 . . . . 61 PRO HG3 . 11258 1 735 . 1 1 61 61 PRO C C 13 178.222 0.300 . 1 . . . . 61 PRO C . 11258 1 736 . 1 1 61 61 PRO CA C 13 65.354 0.300 . 1 . . . . 61 PRO CA . 11258 1 737 . 1 1 61 61 PRO CB C 13 31.390 0.300 . 1 . . . . 61 PRO CB . 11258 1 738 . 1 1 61 61 PRO CD C 13 50.575 0.300 . 1 . . . . 61 PRO CD . 11258 1 739 . 1 1 61 61 PRO CG C 13 27.672 0.300 . 1 . . . . 61 PRO CG . 11258 1 740 . 1 1 62 62 GLU H H 1 9.817 0.030 . 1 . . . . 62 GLU H . 11258 1 741 . 1 1 62 62 GLU HA H 1 4.627 0.030 . 1 . . . . 62 GLU HA . 11258 1 742 . 1 1 62 62 GLU HB2 H 1 2.091 0.030 . 2 . . . . 62 GLU HB2 . 11258 1 743 . 1 1 62 62 GLU HB3 H 1 2.157 0.030 . 2 . . . . 62 GLU HB3 . 11258 1 744 . 1 1 62 62 GLU HG2 H 1 2.151 0.030 . 2 . . . . 62 GLU HG2 . 11258 1 745 . 1 1 62 62 GLU HG3 H 1 2.434 0.030 . 2 . . . . 62 GLU HG3 . 11258 1 746 . 1 1 62 62 GLU C C 13 177.250 0.300 . 1 . . . . 62 GLU C . 11258 1 747 . 1 1 62 62 GLU CA C 13 58.322 0.300 . 1 . . . . 62 GLU CA . 11258 1 748 . 1 1 62 62 GLU CB C 13 27.672 0.300 . 1 . . . . 62 GLU CB . 11258 1 749 . 1 1 62 62 GLU CG C 13 35.728 0.300 . 1 . . . . 62 GLU CG . 11258 1 750 . 1 1 62 62 GLU N N 15 118.300 0.300 . 1 . . . . 62 GLU N . 11258 1 751 . 1 1 63 63 LEU H H 1 7.901 0.030 . 1 . . . . 63 LEU H . 11258 1 752 . 1 1 63 63 LEU HA H 1 4.276 0.030 . 1 . . . . 63 LEU HA . 11258 1 753 . 1 1 63 63 LEU HB2 H 1 1.905 0.030 . 2 . . . . 63 LEU HB2 . 11258 1 754 . 1 1 63 63 LEU HB3 H 1 1.606 0.030 . 2 . . . . 63 LEU HB3 . 11258 1 755 . 1 1 63 63 LEU HD11 H 1 0.841 0.030 . 1 . . . . 63 LEU HD1 . 11258 1 756 . 1 1 63 63 LEU HD12 H 1 0.841 0.030 . 1 . . . . 63 LEU HD1 . 11258 1 757 . 1 1 63 63 LEU HD13 H 1 0.841 0.030 . 1 . . . . 63 LEU HD1 . 11258 1 758 . 1 1 63 63 LEU HD21 H 1 0.925 0.030 . 1 . . . . 63 LEU HD2 . 11258 1 759 . 1 1 63 63 LEU HD22 H 1 0.925 0.030 . 1 . . . . 63 LEU HD2 . 11258 1 760 . 1 1 63 63 LEU HD23 H 1 0.925 0.030 . 1 . . . . 63 LEU HD2 . 11258 1 761 . 1 1 63 63 LEU HG H 1 1.238 0.030 . 1 . . . . 63 LEU HG . 11258 1 762 . 1 1 63 63 LEU C C 13 175.408 0.300 . 1 . . . . 63 LEU C . 11258 1 763 . 1 1 63 63 LEU CA C 13 55.900 0.300 . 1 . . . . 63 LEU CA . 11258 1 764 . 1 1 63 63 LEU CB C 13 41.480 0.300 . 1 . . . . 63 LEU CB . 11258 1 765 . 1 1 63 63 LEU CD1 C 13 22.197 0.300 . 2 . . . . 63 LEU CD1 . 11258 1 766 . 1 1 63 63 LEU CD2 C 13 25.635 0.300 . 2 . . . . 63 LEU CD2 . 11258 1 767 . 1 1 63 63 LEU CG C 13 27.921 0.300 . 1 . . . . 63 LEU CG . 11258 1 768 . 1 1 63 63 LEU N N 15 119.734 0.300 . 1 . . . . 63 LEU N . 11258 1 769 . 1 1 64 64 PHE H H 1 8.256 0.030 . 1 . . . . 64 PHE H . 11258 1 770 . 1 1 64 64 PHE HA H 1 4.810 0.030 . 1 . . . . 64 PHE HA . 11258 1 771 . 1 1 64 64 PHE HB2 H 1 2.888 0.030 . 2 . . . . 64 PHE HB2 . 11258 1 772 . 1 1 64 64 PHE HB3 H 1 2.744 0.030 . 2 . . . . 64 PHE HB3 . 11258 1 773 . 1 1 64 64 PHE HD1 H 1 7.082 0.030 . 1 . . . . 64 PHE HD1 . 11258 1 774 . 1 1 64 64 PHE HD2 H 1 7.082 0.030 . 1 . . . . 64 PHE HD2 . 11258 1 775 . 1 1 64 64 PHE HE1 H 1 6.882 0.030 . 1 . . . . 64 PHE HE1 . 11258 1 776 . 1 1 64 64 PHE HE2 H 1 6.882 0.030 . 1 . . . . 64 PHE HE2 . 11258 1 777 . 1 1 64 64 PHE C C 13 172.933 0.300 . 1 . . . . 64 PHE C . 11258 1 778 . 1 1 64 64 PHE CA C 13 58.756 0.300 . 1 . . . . 64 PHE CA . 11258 1 779 . 1 1 64 64 PHE CB C 13 44.650 0.300 . 1 . . . . 64 PHE CB . 11258 1 780 . 1 1 64 64 PHE CD1 C 13 131.519 0.300 . 1 . . . . 64 PHE CD1 . 11258 1 781 . 1 1 64 64 PHE CD2 C 13 131.519 0.300 . 1 . . . . 64 PHE CD2 . 11258 1 782 . 1 1 64 64 PHE CE1 C 13 130.087 0.300 . 1 . . . . 64 PHE CE1 . 11258 1 783 . 1 1 64 64 PHE CE2 C 13 130.087 0.300 . 1 . . . . 64 PHE CE2 . 11258 1 784 . 1 1 64 64 PHE N N 15 118.577 0.300 . 1 . . . . 64 PHE N . 11258 1 785 . 1 1 65 65 ILE H H 1 8.524 0.030 . 1 . . . . 65 ILE H . 11258 1 786 . 1 1 65 65 ILE HA H 1 4.458 0.030 . 1 . . . . 65 ILE HA . 11258 1 787 . 1 1 65 65 ILE HB H 1 1.646 0.030 . 1 . . . . 65 ILE HB . 11258 1 788 . 1 1 65 65 ILE HD11 H 1 0.780 0.030 . 1 . . . . 65 ILE HD1 . 11258 1 789 . 1 1 65 65 ILE HD12 H 1 0.780 0.030 . 1 . . . . 65 ILE HD1 . 11258 1 790 . 1 1 65 65 ILE HD13 H 1 0.780 0.030 . 1 . . . . 65 ILE HD1 . 11258 1 791 . 1 1 65 65 ILE HG12 H 1 1.221 0.030 . 2 . . . . 65 ILE HG12 . 11258 1 792 . 1 1 65 65 ILE HG13 H 1 1.377 0.030 . 2 . . . . 65 ILE HG13 . 11258 1 793 . 1 1 65 65 ILE HG21 H 1 0.846 0.030 . 1 . . . . 65 ILE HG2 . 11258 1 794 . 1 1 65 65 ILE HG22 H 1 0.846 0.030 . 1 . . . . 65 ILE HG2 . 11258 1 795 . 1 1 65 65 ILE HG23 H 1 0.846 0.030 . 1 . . . . 65 ILE HG2 . 11258 1 796 . 1 1 65 65 ILE C C 13 175.889 0.300 . 1 . . . . 65 ILE C . 11258 1 797 . 1 1 65 65 ILE CA C 13 58.633 0.300 . 1 . . . . 65 ILE CA . 11258 1 798 . 1 1 65 65 ILE CB C 13 41.031 0.300 . 1 . . . . 65 ILE CB . 11258 1 799 . 1 1 65 65 ILE CD1 C 13 13.130 0.300 . 1 . . . . 65 ILE CD1 . 11258 1 800 . 1 1 65 65 ILE CG1 C 13 27.672 0.300 . 1 . . . . 65 ILE CG1 . 11258 1 801 . 1 1 65 65 ILE CG2 C 13 18.052 0.300 . 1 . . . . 65 ILE CG2 . 11258 1 802 . 1 1 65 65 ILE N N 15 118.499 0.300 . 1 . . . . 65 ILE N . 11258 1 803 . 1 1 66 66 GLN H H 1 8.335 0.030 . 1 . . . . 66 GLN H . 11258 1 804 . 1 1 66 66 GLN HA H 1 4.437 0.030 . 1 . . . . 66 GLN HA . 11258 1 805 . 1 1 66 66 GLN HB2 H 1 1.757 0.030 . 2 . . . . 66 GLN HB2 . 11258 1 806 . 1 1 66 66 GLN HB3 H 1 1.926 0.030 . 2 . . . . 66 GLN HB3 . 11258 1 807 . 1 1 66 66 GLN HE21 H 1 7.601 0.030 . 2 . . . . 66 GLN HE21 . 11258 1 808 . 1 1 66 66 GLN HE22 H 1 6.880 0.030 . 2 . . . . 66 GLN HE22 . 11258 1 809 . 1 1 66 66 GLN HG2 H 1 2.235 0.030 . 1 . . . . 66 GLN HG2 . 11258 1 810 . 1 1 66 66 GLN HG3 H 1 2.235 0.030 . 1 . . . . 66 GLN HG3 . 11258 1 811 . 1 1 66 66 GLN C C 13 175.062 0.300 . 1 . . . . 66 GLN C . 11258 1 812 . 1 1 66 66 GLN CA C 13 55.342 0.300 . 1 . . . . 66 GLN CA . 11258 1 813 . 1 1 66 66 GLN CB C 13 31.913 0.300 . 1 . . . . 66 GLN CB . 11258 1 814 . 1 1 66 66 GLN CG C 13 34.186 0.300 . 1 . . . . 66 GLN CG . 11258 1 815 . 1 1 66 66 GLN N N 15 126.491 0.300 . 1 . . . . 66 GLN N . 11258 1 816 . 1 1 66 66 GLN NE2 N 15 111.606 0.300 . 1 . . . . 66 GLN NE2 . 11258 1 817 . 1 1 67 67 GLY H H 1 9.172 0.030 . 1 . . . . 67 GLY H . 11258 1 818 . 1 1 67 67 GLY HA2 H 1 4.012 0.030 . 2 . . . . 67 GLY HA2 . 11258 1 819 . 1 1 67 67 GLY HA3 H 1 3.628 0.030 . 2 . . . . 67 GLY HA3 . 11258 1 820 . 1 1 67 67 GLY C C 13 173.942 0.300 . 1 . . . . 67 GLY C . 11258 1 821 . 1 1 67 67 GLY CA C 13 47.103 0.300 . 1 . . . . 67 GLY CA . 11258 1 822 . 1 1 67 67 GLY N N 15 118.892 0.300 . 1 . . . . 67 GLY N . 11258 1 823 . 1 1 68 68 ASP H H 1 8.704 0.030 . 1 . . . . 68 ASP H . 11258 1 824 . 1 1 68 68 ASP HA H 1 4.558 0.030 . 1 . . . . 68 ASP HA . 11258 1 825 . 1 1 68 68 ASP HB2 H 1 2.801 0.030 . 2 . . . . 68 ASP HB2 . 11258 1 826 . 1 1 68 68 ASP HB3 H 1 2.730 0.030 . 2 . . . . 68 ASP HB3 . 11258 1 827 . 1 1 68 68 ASP C C 13 175.000 0.300 . 1 . . . . 68 ASP C . 11258 1 828 . 1 1 68 68 ASP CA C 13 53.746 0.300 . 1 . . . . 68 ASP CA . 11258 1 829 . 1 1 68 68 ASP CB C 13 41.524 0.300 . 1 . . . . 68 ASP CB . 11258 1 830 . 1 1 68 68 ASP N N 15 125.863 0.300 . 1 . . . . 68 ASP N . 11258 1 831 . 1 1 69 69 SER H H 1 7.714 0.030 . 1 . . . . 69 SER H . 11258 1 832 . 1 1 69 69 SER HA H 1 4.965 0.030 . 1 . . . . 69 SER HA . 11258 1 833 . 1 1 69 69 SER HB2 H 1 3.816 0.030 . 2 . . . . 69 SER HB2 . 11258 1 834 . 1 1 69 69 SER HB3 H 1 4.019 0.030 . 2 . . . . 69 SER HB3 . 11258 1 835 . 1 1 69 69 SER C C 13 175.606 0.300 . 1 . . . . 69 SER C . 11258 1 836 . 1 1 69 69 SER CA C 13 54.062 0.300 . 1 . . . . 69 SER CA . 11258 1 837 . 1 1 69 69 SER CB C 13 65.130 0.300 . 1 . . . . 69 SER CB . 11258 1 838 . 1 1 69 69 SER N N 15 112.070 0.300 . 1 . . . . 69 SER N . 11258 1 839 . 1 1 70 70 VAL H H 1 8.194 0.030 . 1 . . . . 70 VAL H . 11258 1 840 . 1 1 70 70 VAL HA H 1 4.515 0.030 . 1 . . . . 70 VAL HA . 11258 1 841 . 1 1 70 70 VAL HB H 1 1.945 0.030 . 1 . . . . 70 VAL HB . 11258 1 842 . 1 1 70 70 VAL HG11 H 1 0.572 0.030 . 1 . . . . 70 VAL HG1 . 11258 1 843 . 1 1 70 70 VAL HG12 H 1 0.572 0.030 . 1 . . . . 70 VAL HG1 . 11258 1 844 . 1 1 70 70 VAL HG13 H 1 0.572 0.030 . 1 . . . . 70 VAL HG1 . 11258 1 845 . 1 1 70 70 VAL HG21 H 1 0.809 0.030 . 1 . . . . 70 VAL HG2 . 11258 1 846 . 1 1 70 70 VAL HG22 H 1 0.809 0.030 . 1 . . . . 70 VAL HG2 . 11258 1 847 . 1 1 70 70 VAL HG23 H 1 0.809 0.030 . 1 . . . . 70 VAL HG2 . 11258 1 848 . 1 1 70 70 VAL C C 13 176.694 0.300 . 1 . . . . 70 VAL C . 11258 1 849 . 1 1 70 70 VAL CA C 13 60.030 0.300 . 1 . . . . 70 VAL CA . 11258 1 850 . 1 1 70 70 VAL CB C 13 33.364 0.300 . 1 . . . . 70 VAL CB . 11258 1 851 . 1 1 70 70 VAL CG1 C 13 23.220 0.300 . 2 . . . . 70 VAL CG1 . 11258 1 852 . 1 1 70 70 VAL CG2 C 13 18.595 0.300 . 2 . . . . 70 VAL CG2 . 11258 1 853 . 1 1 70 70 VAL N N 15 111.183 0.300 . 1 . . . . 70 VAL N . 11258 1 854 . 1 1 71 71 ARG H H 1 7.775 0.030 . 1 . . . . 71 ARG H . 11258 1 855 . 1 1 71 71 ARG HA H 1 4.174 0.030 . 1 . . . . 71 ARG HA . 11258 1 856 . 1 1 71 71 ARG HB2 H 1 1.496 0.030 . 1 . . . . 71 ARG HB2 . 11258 1 857 . 1 1 71 71 ARG HB3 H 1 1.496 0.030 . 1 . . . . 71 ARG HB3 . 11258 1 858 . 1 1 71 71 ARG HD2 H 1 3.000 0.030 . 2 . . . . 71 ARG HD2 . 11258 1 859 . 1 1 71 71 ARG HD3 H 1 3.196 0.030 . 2 . . . . 71 ARG HD3 . 11258 1 860 . 1 1 71 71 ARG HE H 1 7.084 0.030 . 1 . . . . 71 ARG HE . 11258 1 861 . 1 1 71 71 ARG HG2 H 1 1.495 0.030 . 2 . . . . 71 ARG HG2 . 11258 1 862 . 1 1 71 71 ARG HG3 H 1 1.542 0.030 . 2 . . . . 71 ARG HG3 . 11258 1 863 . 1 1 71 71 ARG C C 13 172.806 0.300 . 1 . . . . 71 ARG C . 11258 1 864 . 1 1 71 71 ARG CA C 13 54.370 0.300 . 1 . . . . 71 ARG CA . 11258 1 865 . 1 1 71 71 ARG CB C 13 29.452 0.300 . 1 . . . . 71 ARG CB . 11258 1 866 . 1 1 71 71 ARG CD C 13 43.823 0.300 . 1 . . . . 71 ARG CD . 11258 1 867 . 1 1 71 71 ARG CG C 13 25.954 0.300 . 1 . . . . 71 ARG CG . 11258 1 868 . 1 1 71 71 ARG N N 15 122.662 0.300 . 1 . . . . 71 ARG N . 11258 1 869 . 1 1 71 71 ARG NE N 15 84.469 0.300 . 1 . . . . 71 ARG NE . 11258 1 870 . 1 1 72 72 PRO HA H 1 4.413 0.030 . 1 . . . . 72 PRO HA . 11258 1 871 . 1 1 72 72 PRO HB2 H 1 2.358 0.030 . 2 . . . . 72 PRO HB2 . 11258 1 872 . 1 1 72 72 PRO HB3 H 1 1.849 0.030 . 2 . . . . 72 PRO HB3 . 11258 1 873 . 1 1 72 72 PRO HD2 H 1 3.546 0.030 . 2 . . . . 72 PRO HD2 . 11258 1 874 . 1 1 72 72 PRO HD3 H 1 3.836 0.030 . 2 . . . . 72 PRO HD3 . 11258 1 875 . 1 1 72 72 PRO HG2 H 1 2.079 0.030 . 2 . . . . 72 PRO HG2 . 11258 1 876 . 1 1 72 72 PRO HG3 H 1 2.164 0.030 . 2 . . . . 72 PRO HG3 . 11258 1 877 . 1 1 72 72 PRO C C 13 177.358 0.300 . 1 . . . . 72 PRO C . 11258 1 878 . 1 1 72 72 PRO CA C 13 64.119 0.300 . 1 . . . . 72 PRO CA . 11258 1 879 . 1 1 72 72 PRO CB C 13 31.556 0.300 . 1 . . . . 72 PRO CB . 11258 1 880 . 1 1 72 72 PRO CD C 13 50.718 0.300 . 1 . . . . 72 PRO CD . 11258 1 881 . 1 1 72 72 PRO CG C 13 28.069 0.300 . 1 . . . . 72 PRO CG . 11258 1 882 . 1 1 73 73 GLY H H 1 8.878 0.030 . 1 . . . . 73 GLY H . 11258 1 883 . 1 1 73 73 GLY HA2 H 1 4.408 0.030 . 2 . . . . 73 GLY HA2 . 11258 1 884 . 1 1 73 73 GLY HA3 H 1 3.551 0.030 . 2 . . . . 73 GLY HA3 . 11258 1 885 . 1 1 73 73 GLY C C 13 174.522 0.300 . 1 . . . . 73 GLY C . 11258 1 886 . 1 1 73 73 GLY CA C 13 44.564 0.300 . 1 . . . . 73 GLY CA . 11258 1 887 . 1 1 73 73 GLY N N 15 112.313 0.300 . 1 . . . . 73 GLY N . 11258 1 888 . 1 1 74 74 ILE H H 1 7.886 0.030 . 1 . . . . 74 ILE H . 11258 1 889 . 1 1 74 74 ILE HA H 1 4.824 0.030 . 1 . . . . 74 ILE HA . 11258 1 890 . 1 1 74 74 ILE HB H 1 2.063 0.030 . 1 . . . . 74 ILE HB . 11258 1 891 . 1 1 74 74 ILE HD11 H 1 1.053 0.030 . 1 . . . . 74 ILE HD1 . 11258 1 892 . 1 1 74 74 ILE HD12 H 1 1.053 0.030 . 1 . . . . 74 ILE HD1 . 11258 1 893 . 1 1 74 74 ILE HD13 H 1 1.053 0.030 . 1 . . . . 74 ILE HD1 . 11258 1 894 . 1 1 74 74 ILE HG12 H 1 1.605 0.030 . 2 . . . . 74 ILE HG12 . 11258 1 895 . 1 1 74 74 ILE HG13 H 1 1.235 0.030 . 2 . . . . 74 ILE HG13 . 11258 1 896 . 1 1 74 74 ILE HG21 H 1 0.900 0.030 . 1 . . . . 74 ILE HG2 . 11258 1 897 . 1 1 74 74 ILE HG22 H 1 0.900 0.030 . 1 . . . . 74 ILE HG2 . 11258 1 898 . 1 1 74 74 ILE HG23 H 1 0.900 0.030 . 1 . . . . 74 ILE HG2 . 11258 1 899 . 1 1 74 74 ILE C C 13 174.854 0.300 . 1 . . . . 74 ILE C . 11258 1 900 . 1 1 74 74 ILE CA C 13 60.113 0.300 . 1 . . . . 74 ILE CA . 11258 1 901 . 1 1 74 74 ILE CB C 13 37.170 0.300 . 1 . . . . 74 ILE CB . 11258 1 902 . 1 1 74 74 ILE CD1 C 13 12.143 0.300 . 1 . . . . 74 ILE CD1 . 11258 1 903 . 1 1 74 74 ILE CG1 C 13 27.921 0.300 . 1 . . . . 74 ILE CG1 . 11258 1 904 . 1 1 74 74 ILE CG2 C 13 17.381 0.300 . 1 . . . . 74 ILE CG2 . 11258 1 905 . 1 1 74 74 ILE N N 15 122.487 0.300 . 1 . . . . 74 ILE N . 11258 1 906 . 1 1 75 75 LEU H H 1 9.201 0.030 . 1 . . . . 75 LEU H . 11258 1 907 . 1 1 75 75 LEU HA H 1 4.502 0.030 . 1 . . . . 75 LEU HA . 11258 1 908 . 1 1 75 75 LEU HB2 H 1 1.535 0.030 . 2 . . . . 75 LEU HB2 . 11258 1 909 . 1 1 75 75 LEU HB3 H 1 1.627 0.030 . 2 . . . . 75 LEU HB3 . 11258 1 910 . 1 1 75 75 LEU HD11 H 1 0.883 0.030 . 1 . . . . 75 LEU HD1 . 11258 1 911 . 1 1 75 75 LEU HD12 H 1 0.883 0.030 . 1 . . . . 75 LEU HD1 . 11258 1 912 . 1 1 75 75 LEU HD13 H 1 0.883 0.030 . 1 . . . . 75 LEU HD1 . 11258 1 913 . 1 1 75 75 LEU HD21 H 1 0.875 0.030 . 1 . . . . 75 LEU HD2 . 11258 1 914 . 1 1 75 75 LEU HD22 H 1 0.875 0.030 . 1 . . . . 75 LEU HD2 . 11258 1 915 . 1 1 75 75 LEU HD23 H 1 0.875 0.030 . 1 . . . . 75 LEU HD2 . 11258 1 916 . 1 1 75 75 LEU HG H 1 1.654 0.030 . 1 . . . . 75 LEU HG . 11258 1 917 . 1 1 75 75 LEU C C 13 175.431 0.300 . 1 . . . . 75 LEU C . 11258 1 918 . 1 1 75 75 LEU CA C 13 53.862 0.300 . 1 . . . . 75 LEU CA . 11258 1 919 . 1 1 75 75 LEU CB C 13 43.044 0.300 . 1 . . . . 75 LEU CB . 11258 1 920 . 1 1 75 75 LEU CD1 C 13 24.976 0.300 . 2 . . . . 75 LEU CD1 . 11258 1 921 . 1 1 75 75 LEU CD2 C 13 23.165 0.300 . 2 . . . . 75 LEU CD2 . 11258 1 922 . 1 1 75 75 LEU CG C 13 26.948 0.300 . 1 . . . . 75 LEU CG . 11258 1 923 . 1 1 75 75 LEU N N 15 129.565 0.300 . 1 . . . . 75 LEU N . 11258 1 924 . 1 1 76 76 VAL H H 1 7.189 0.030 . 1 . . . . 76 VAL H . 11258 1 925 . 1 1 76 76 VAL HA H 1 4.399 0.030 . 1 . . . . 76 VAL HA . 11258 1 926 . 1 1 76 76 VAL HB H 1 -0.113 0.030 . 1 . . . . 76 VAL HB . 11258 1 927 . 1 1 76 76 VAL HG11 H 1 -0.235 0.030 . 1 . . . . 76 VAL HG1 . 11258 1 928 . 1 1 76 76 VAL HG12 H 1 -0.235 0.030 . 1 . . . . 76 VAL HG1 . 11258 1 929 . 1 1 76 76 VAL HG13 H 1 -0.235 0.030 . 1 . . . . 76 VAL HG1 . 11258 1 930 . 1 1 76 76 VAL HG21 H 1 -0.130 0.030 . 1 . . . . 76 VAL HG2 . 11258 1 931 . 1 1 76 76 VAL HG22 H 1 -0.130 0.030 . 1 . . . . 76 VAL HG2 . 11258 1 932 . 1 1 76 76 VAL HG23 H 1 -0.130 0.030 . 1 . . . . 76 VAL HG2 . 11258 1 933 . 1 1 76 76 VAL C C 13 174.827 0.300 . 1 . . . . 76 VAL C . 11258 1 934 . 1 1 76 76 VAL CA C 13 60.788 0.300 . 1 . . . . 76 VAL CA . 11258 1 935 . 1 1 76 76 VAL CB C 13 31.952 0.300 . 1 . . . . 76 VAL CB . 11258 1 936 . 1 1 76 76 VAL CG1 C 13 20.111 0.300 . 2 . . . . 76 VAL CG1 . 11258 1 937 . 1 1 76 76 VAL CG2 C 13 20.253 0.300 . 2 . . . . 76 VAL CG2 . 11258 1 938 . 1 1 76 76 VAL N N 15 120.642 0.300 . 1 . . . . 76 VAL N . 11258 1 939 . 1 1 77 77 LEU H H 1 8.918 0.030 . 1 . . . . 77 LEU H . 11258 1 940 . 1 1 77 77 LEU HA H 1 5.063 0.030 . 1 . . . . 77 LEU HA . 11258 1 941 . 1 1 77 77 LEU HB2 H 1 1.598 0.030 . 2 . . . . 77 LEU HB2 . 11258 1 942 . 1 1 77 77 LEU HB3 H 1 0.924 0.030 . 2 . . . . 77 LEU HB3 . 11258 1 943 . 1 1 77 77 LEU HD11 H 1 0.712 0.030 . 1 . . . . 77 LEU HD1 . 11258 1 944 . 1 1 77 77 LEU HD12 H 1 0.712 0.030 . 1 . . . . 77 LEU HD1 . 11258 1 945 . 1 1 77 77 LEU HD13 H 1 0.712 0.030 . 1 . . . . 77 LEU HD1 . 11258 1 946 . 1 1 77 77 LEU HD21 H 1 0.670 0.030 . 1 . . . . 77 LEU HD2 . 11258 1 947 . 1 1 77 77 LEU HD22 H 1 0.670 0.030 . 1 . . . . 77 LEU HD2 . 11258 1 948 . 1 1 77 77 LEU HD23 H 1 0.670 0.030 . 1 . . . . 77 LEU HD2 . 11258 1 949 . 1 1 77 77 LEU HG H 1 1.378 0.030 . 1 . . . . 77 LEU HG . 11258 1 950 . 1 1 77 77 LEU C C 13 176.183 0.300 . 1 . . . . 77 LEU C . 11258 1 951 . 1 1 77 77 LEU CA C 13 53.100 0.300 . 1 . . . . 77 LEU CA . 11258 1 952 . 1 1 77 77 LEU CB C 13 44.600 0.300 . 1 . . . . 77 LEU CB . 11258 1 953 . 1 1 77 77 LEU CD1 C 13 25.212 0.300 . 2 . . . . 77 LEU CD1 . 11258 1 954 . 1 1 77 77 LEU CD2 C 13 24.435 0.300 . 2 . . . . 77 LEU CD2 . 11258 1 955 . 1 1 77 77 LEU CG C 13 28.182 0.300 . 1 . . . . 77 LEU CG . 11258 1 956 . 1 1 77 77 LEU N N 15 127.524 0.300 . 1 . . . . 77 LEU N . 11258 1 957 . 1 1 78 78 ILE H H 1 9.323 0.030 . 1 . . . . 78 ILE H . 11258 1 958 . 1 1 78 78 ILE HA H 1 4.416 0.030 . 1 . . . . 78 ILE HA . 11258 1 959 . 1 1 78 78 ILE HB H 1 1.361 0.030 . 1 . . . . 78 ILE HB . 11258 1 960 . 1 1 78 78 ILE HD11 H 1 0.550 0.030 . 1 . . . . 78 ILE HD1 . 11258 1 961 . 1 1 78 78 ILE HD12 H 1 0.550 0.030 . 1 . . . . 78 ILE HD1 . 11258 1 962 . 1 1 78 78 ILE HD13 H 1 0.550 0.030 . 1 . . . . 78 ILE HD1 . 11258 1 963 . 1 1 78 78 ILE HG12 H 1 1.260 0.030 . 2 . . . . 78 ILE HG12 . 11258 1 964 . 1 1 78 78 ILE HG13 H 1 0.625 0.030 . 2 . . . . 78 ILE HG13 . 11258 1 965 . 1 1 78 78 ILE HG21 H 1 0.311 0.030 . 1 . . . . 78 ILE HG2 . 11258 1 966 . 1 1 78 78 ILE HG22 H 1 0.311 0.030 . 1 . . . . 78 ILE HG2 . 11258 1 967 . 1 1 78 78 ILE HG23 H 1 0.311 0.030 . 1 . . . . 78 ILE HG2 . 11258 1 968 . 1 1 78 78 ILE C C 13 176.113 0.300 . 1 . . . . 78 ILE C . 11258 1 969 . 1 1 78 78 ILE CA C 13 59.825 0.300 . 1 . . . . 78 ILE CA . 11258 1 970 . 1 1 78 78 ILE CB C 13 38.872 0.300 . 1 . . . . 78 ILE CB . 11258 1 971 . 1 1 78 78 ILE CD1 C 13 14.923 0.300 . 1 . . . . 78 ILE CD1 . 11258 1 972 . 1 1 78 78 ILE CG1 C 13 27.423 0.300 . 1 . . . . 78 ILE CG1 . 11258 1 973 . 1 1 78 78 ILE CG2 C 13 16.857 0.300 . 1 . . . . 78 ILE CG2 . 11258 1 974 . 1 1 78 78 ILE N N 15 123.349 0.300 . 1 . . . . 78 ILE N . 11258 1 975 . 1 1 79 79 ASN H H 1 9.764 0.030 . 1 . . . . 79 ASN H . 11258 1 976 . 1 1 79 79 ASN HA H 1 4.290 0.030 . 1 . . . . 79 ASN HA . 11258 1 977 . 1 1 79 79 ASN HB2 H 1 3.052 0.030 . 2 . . . . 79 ASN HB2 . 11258 1 978 . 1 1 79 79 ASN HB3 H 1 2.757 0.030 . 2 . . . . 79 ASN HB3 . 11258 1 979 . 1 1 79 79 ASN HD21 H 1 7.396 0.030 . 2 . . . . 79 ASN HD21 . 11258 1 980 . 1 1 79 79 ASN HD22 H 1 7.471 0.030 . 2 . . . . 79 ASN HD22 . 11258 1 981 . 1 1 79 79 ASN C C 13 175.060 0.300 . 1 . . . . 79 ASN C . 11258 1 982 . 1 1 79 79 ASN CA C 13 54.890 0.300 . 1 . . . . 79 ASN CA . 11258 1 983 . 1 1 79 79 ASN CB C 13 37.330 0.300 . 1 . . . . 79 ASN CB . 11258 1 984 . 1 1 79 79 ASN N N 15 128.280 0.300 . 1 . . . . 79 ASN N . 11258 1 985 . 1 1 79 79 ASN ND2 N 15 117.819 0.300 . 1 . . . . 79 ASN ND2 . 11258 1 986 . 1 1 80 80 ASP H H 1 8.905 0.030 . 1 . . . . 80 ASP H . 11258 1 987 . 1 1 80 80 ASP HA H 1 3.987 0.030 . 1 . . . . 80 ASP HA . 11258 1 988 . 1 1 80 80 ASP HB2 H 1 2.984 0.030 . 2 . . . . 80 ASP HB2 . 11258 1 989 . 1 1 80 80 ASP HB3 H 1 2.869 0.030 . 2 . . . . 80 ASP HB3 . 11258 1 990 . 1 1 80 80 ASP C C 13 173.926 0.300 . 1 . . . . 80 ASP C . 11258 1 991 . 1 1 80 80 ASP CA C 13 56.782 0.300 . 1 . . . . 80 ASP CA . 11258 1 992 . 1 1 80 80 ASP CB C 13 40.116 0.300 . 1 . . . . 80 ASP CB . 11258 1 993 . 1 1 80 80 ASP N N 15 108.491 0.300 . 1 . . . . 80 ASP N . 11258 1 994 . 1 1 81 81 ALA H H 1 7.956 0.030 . 1 . . . . 81 ALA H . 11258 1 995 . 1 1 81 81 ALA HA H 1 4.698 0.030 . 1 . . . . 81 ALA HA . 11258 1 996 . 1 1 81 81 ALA HB1 H 1 1.379 0.030 . 1 . . . . 81 ALA HB . 11258 1 997 . 1 1 81 81 ALA HB2 H 1 1.379 0.030 . 1 . . . . 81 ALA HB . 11258 1 998 . 1 1 81 81 ALA HB3 H 1 1.379 0.030 . 1 . . . . 81 ALA HB . 11258 1 999 . 1 1 81 81 ALA C C 13 176.186 0.300 . 1 . . . . 81 ALA C . 11258 1 1000 . 1 1 81 81 ALA CA C 13 50.558 0.300 . 1 . . . . 81 ALA CA . 11258 1 1001 . 1 1 81 81 ALA CB C 13 21.168 0.300 . 1 . . . . 81 ALA CB . 11258 1 1002 . 1 1 81 81 ALA N N 15 123.716 0.300 . 1 . . . . 81 ALA N . 11258 1 1003 . 1 1 82 82 ASP H H 1 8.581 0.030 . 1 . . . . 82 ASP H . 11258 1 1004 . 1 1 82 82 ASP HA H 1 4.515 0.030 . 1 . . . . 82 ASP HA . 11258 1 1005 . 1 1 82 82 ASP HB2 H 1 2.855 0.030 . 2 . . . . 82 ASP HB2 . 11258 1 1006 . 1 1 82 82 ASP HB3 H 1 2.743 0.030 . 2 . . . . 82 ASP HB3 . 11258 1 1007 . 1 1 82 82 ASP C C 13 178.657 0.300 . 1 . . . . 82 ASP C . 11258 1 1008 . 1 1 82 82 ASP CA C 13 55.384 0.300 . 1 . . . . 82 ASP CA . 11258 1 1009 . 1 1 82 82 ASP CB C 13 42.223 0.300 . 1 . . . . 82 ASP CB . 11258 1 1010 . 1 1 82 82 ASP N N 15 122.871 0.300 . 1 . . . . 82 ASP N . 11258 1 1011 . 1 1 83 83 TRP H H 1 8.822 0.030 . 1 . . . . 83 TRP H . 11258 1 1012 . 1 1 83 83 TRP HA H 1 4.368 0.030 . 1 . . . . 83 TRP HA . 11258 1 1013 . 1 1 83 83 TRP HB2 H 1 3.400 0.030 . 2 . . . . 83 TRP HB2 . 11258 1 1014 . 1 1 83 83 TRP HB3 H 1 2.871 0.030 . 2 . . . . 83 TRP HB3 . 11258 1 1015 . 1 1 83 83 TRP HD1 H 1 7.811 0.030 . 1 . . . . 83 TRP HD1 . 11258 1 1016 . 1 1 83 83 TRP HE1 H 1 10.510 0.030 . 1 . . . . 83 TRP HE1 . 11258 1 1017 . 1 1 83 83 TRP HE3 H 1 7.188 0.030 . 1 . . . . 83 TRP HE3 . 11258 1 1018 . 1 1 83 83 TRP HH2 H 1 7.392 0.030 . 1 . . . . 83 TRP HH2 . 11258 1 1019 . 1 1 83 83 TRP HZ2 H 1 7.521 0.030 . 1 . . . . 83 TRP HZ2 . 11258 1 1020 . 1 1 83 83 TRP HZ3 H 1 6.908 0.030 . 1 . . . . 83 TRP HZ3 . 11258 1 1021 . 1 1 83 83 TRP C C 13 177.843 0.300 . 1 . . . . 83 TRP C . 11258 1 1022 . 1 1 83 83 TRP CA C 13 59.266 0.300 . 1 . . . . 83 TRP CA . 11258 1 1023 . 1 1 83 83 TRP CB C 13 28.077 0.300 . 1 . . . . 83 TRP CB . 11258 1 1024 . 1 1 83 83 TRP CD1 C 13 127.219 0.300 . 1 . . . . 83 TRP CD1 . 11258 1 1025 . 1 1 83 83 TRP CE3 C 13 118.859 0.300 . 1 . . . . 83 TRP CE3 . 11258 1 1026 . 1 1 83 83 TRP CH2 C 13 124.281 0.300 . 1 . . . . 83 TRP CH2 . 11258 1 1027 . 1 1 83 83 TRP CZ2 C 13 115.584 0.300 . 1 . . . . 83 TRP CZ2 . 11258 1 1028 . 1 1 83 83 TRP CZ3 C 13 120.899 0.300 . 1 . . . . 83 TRP CZ3 . 11258 1 1029 . 1 1 83 83 TRP N N 15 125.532 0.300 . 1 . . . . 83 TRP N . 11258 1 1030 . 1 1 83 83 TRP NE1 N 15 131.065 0.300 . 1 . . . . 83 TRP NE1 . 11258 1 1031 . 1 1 84 84 GLU H H 1 9.511 0.030 . 1 . . . . 84 GLU H . 11258 1 1032 . 1 1 84 84 GLU HA H 1 3.901 0.030 . 1 . . . . 84 GLU HA . 11258 1 1033 . 1 1 84 84 GLU HB2 H 1 2.039 0.030 . 1 . . . . 84 GLU HB2 . 11258 1 1034 . 1 1 84 84 GLU HB3 H 1 2.039 0.030 . 1 . . . . 84 GLU HB3 . 11258 1 1035 . 1 1 84 84 GLU HG2 H 1 2.477 0.030 . 2 . . . . 84 GLU HG2 . 11258 1 1036 . 1 1 84 84 GLU HG3 H 1 2.213 0.030 . 2 . . . . 84 GLU HG3 . 11258 1 1037 . 1 1 84 84 GLU C C 13 179.137 0.300 . 1 . . . . 84 GLU C . 11258 1 1038 . 1 1 84 84 GLU CA C 13 59.417 0.300 . 1 . . . . 84 GLU CA . 11258 1 1039 . 1 1 84 84 GLU CB C 13 28.916 0.300 . 1 . . . . 84 GLU CB . 11258 1 1040 . 1 1 84 84 GLU CG C 13 36.371 0.300 . 1 . . . . 84 GLU CG . 11258 1 1041 . 1 1 84 84 GLU N N 15 126.539 0.300 . 1 . . . . 84 GLU N . 11258 1 1042 . 1 1 85 85 LEU H H 1 8.169 0.030 . 1 . . . . 85 LEU H . 11258 1 1043 . 1 1 85 85 LEU HA H 1 4.346 0.030 . 1 . . . . 85 LEU HA . 11258 1 1044 . 1 1 85 85 LEU HB2 H 1 1.977 0.030 . 2 . . . . 85 LEU HB2 . 11258 1 1045 . 1 1 85 85 LEU HB3 H 1 1.702 0.030 . 2 . . . . 85 LEU HB3 . 11258 1 1046 . 1 1 85 85 LEU HD11 H 1 0.943 0.030 . 1 . . . . 85 LEU HD1 . 11258 1 1047 . 1 1 85 85 LEU HD12 H 1 0.943 0.030 . 1 . . . . 85 LEU HD1 . 11258 1 1048 . 1 1 85 85 LEU HD13 H 1 0.943 0.030 . 1 . . . . 85 LEU HD1 . 11258 1 1049 . 1 1 85 85 LEU HD21 H 1 1.075 0.030 . 1 . . . . 85 LEU HD2 . 11258 1 1050 . 1 1 85 85 LEU HD22 H 1 1.075 0.030 . 1 . . . . 85 LEU HD2 . 11258 1 1051 . 1 1 85 85 LEU HD23 H 1 1.075 0.030 . 1 . . . . 85 LEU HD2 . 11258 1 1052 . 1 1 85 85 LEU HG H 1 1.785 0.030 . 1 . . . . 85 LEU HG . 11258 1 1053 . 1 1 85 85 LEU C C 13 178.237 0.300 . 1 . . . . 85 LEU C . 11258 1 1054 . 1 1 85 85 LEU CA C 13 55.960 0.300 . 1 . . . . 85 LEU CA . 11258 1 1055 . 1 1 85 85 LEU CB C 13 41.937 0.300 . 1 . . . . 85 LEU CB . 11258 1 1056 . 1 1 85 85 LEU CD1 C 13 22.607 0.300 . 2 . . . . 85 LEU CD1 . 11258 1 1057 . 1 1 85 85 LEU CD2 C 13 25.507 0.300 . 2 . . . . 85 LEU CD2 . 11258 1 1058 . 1 1 85 85 LEU CG C 13 27.524 0.300 . 1 . . . . 85 LEU CG . 11258 1 1059 . 1 1 85 85 LEU N N 15 118.048 0.300 . 1 . . . . 85 LEU N . 11258 1 1060 . 1 1 86 86 LEU H H 1 7.266 0.030 . 1 . . . . 86 LEU H . 11258 1 1061 . 1 1 86 86 LEU HA H 1 4.658 0.030 . 1 . . . . 86 LEU HA . 11258 1 1062 . 1 1 86 86 LEU HB2 H 1 2.084 0.030 . 2 . . . . 86 LEU HB2 . 11258 1 1063 . 1 1 86 86 LEU HB3 H 1 1.336 0.030 . 2 . . . . 86 LEU HB3 . 11258 1 1064 . 1 1 86 86 LEU HD11 H 1 0.666 0.030 . 1 . . . . 86 LEU HD1 . 11258 1 1065 . 1 1 86 86 LEU HD12 H 1 0.666 0.030 . 1 . . . . 86 LEU HD1 . 11258 1 1066 . 1 1 86 86 LEU HD13 H 1 0.666 0.030 . 1 . . . . 86 LEU HD1 . 11258 1 1067 . 1 1 86 86 LEU HD21 H 1 0.856 0.030 . 1 . . . . 86 LEU HD2 . 11258 1 1068 . 1 1 86 86 LEU HD22 H 1 0.856 0.030 . 1 . . . . 86 LEU HD2 . 11258 1 1069 . 1 1 86 86 LEU HD23 H 1 0.856 0.030 . 1 . . . . 86 LEU HD2 . 11258 1 1070 . 1 1 86 86 LEU HG H 1 1.462 0.030 . 1 . . . . 86 LEU HG . 11258 1 1071 . 1 1 86 86 LEU C C 13 176.741 0.300 . 1 . . . . 86 LEU C . 11258 1 1072 . 1 1 86 86 LEU CA C 13 54.561 0.300 . 1 . . . . 86 LEU CA . 11258 1 1073 . 1 1 86 86 LEU CB C 13 44.874 0.300 . 1 . . . . 86 LEU CB . 11258 1 1074 . 1 1 86 86 LEU CD1 C 13 26.372 0.300 . 2 . . . . 86 LEU CD1 . 11258 1 1075 . 1 1 86 86 LEU CD2 C 13 22.918 0.300 . 2 . . . . 86 LEU CD2 . 11258 1 1076 . 1 1 86 86 LEU CG C 13 26.998 0.300 . 1 . . . . 86 LEU CG . 11258 1 1077 . 1 1 86 86 LEU N N 15 117.621 0.300 . 1 . . . . 86 LEU N . 11258 1 1078 . 1 1 87 87 GLY H H 1 7.515 0.030 . 1 . . . . 87 GLY H . 11258 1 1079 . 1 1 87 87 GLY HA2 H 1 4.350 0.030 . 2 . . . . 87 GLY HA2 . 11258 1 1080 . 1 1 87 87 GLY HA3 H 1 3.625 0.030 . 2 . . . . 87 GLY HA3 . 11258 1 1081 . 1 1 87 87 GLY C C 13 174.390 0.300 . 1 . . . . 87 GLY C . 11258 1 1082 . 1 1 87 87 GLY CA C 13 45.041 0.300 . 1 . . . . 87 GLY CA . 11258 1 1083 . 1 1 87 87 GLY N N 15 106.371 0.300 . 1 . . . . 87 GLY N . 11258 1 1084 . 1 1 88 88 GLU H H 1 8.166 0.030 . 1 . . . . 88 GLU H . 11258 1 1085 . 1 1 88 88 GLU HA H 1 2.696 0.030 . 1 . . . . 88 GLU HA . 11258 1 1086 . 1 1 88 88 GLU HB2 H 1 1.421 0.030 . 2 . . . . 88 GLU HB2 . 11258 1 1087 . 1 1 88 88 GLU HB3 H 1 0.954 0.030 . 2 . . . . 88 GLU HB3 . 11258 1 1088 . 1 1 88 88 GLU HG2 H 1 0.170 0.030 . 2 . . . . 88 GLU HG2 . 11258 1 1089 . 1 1 88 88 GLU HG3 H 1 1.152 0.030 . 2 . . . . 88 GLU HG3 . 11258 1 1090 . 1 1 88 88 GLU C C 13 175.566 0.300 . 1 . . . . 88 GLU C . 11258 1 1091 . 1 1 88 88 GLU CA C 13 58.262 0.300 . 1 . . . . 88 GLU CA . 11258 1 1092 . 1 1 88 88 GLU CB C 13 27.435 0.300 . 1 . . . . 88 GLU CB . 11258 1 1093 . 1 1 88 88 GLU CG C 13 34.491 0.300 . 1 . . . . 88 GLU CG . 11258 1 1094 . 1 1 88 88 GLU N N 15 120.009 0.300 . 1 . . . . 88 GLU N . 11258 1 1095 . 1 1 89 89 LEU H H 1 7.616 0.030 . 1 . . . . 89 LEU H . 11258 1 1096 . 1 1 89 89 LEU HA H 1 4.042 0.030 . 1 . . . . 89 LEU HA . 11258 1 1097 . 1 1 89 89 LEU HB2 H 1 1.868 0.030 . 2 . . . . 89 LEU HB2 . 11258 1 1098 . 1 1 89 89 LEU HB3 H 1 1.391 0.030 . 2 . . . . 89 LEU HB3 . 11258 1 1099 . 1 1 89 89 LEU HD11 H 1 0.984 0.030 . 1 . . . . 89 LEU HD1 . 11258 1 1100 . 1 1 89 89 LEU HD12 H 1 0.984 0.030 . 1 . . . . 89 LEU HD1 . 11258 1 1101 . 1 1 89 89 LEU HD13 H 1 0.984 0.030 . 1 . . . . 89 LEU HD1 . 11258 1 1102 . 1 1 89 89 LEU HD21 H 1 1.314 0.030 . 1 . . . . 89 LEU HD2 . 11258 1 1103 . 1 1 89 89 LEU HD22 H 1 1.314 0.030 . 1 . . . . 89 LEU HD2 . 11258 1 1104 . 1 1 89 89 LEU HD23 H 1 1.314 0.030 . 1 . . . . 89 LEU HD2 . 11258 1 1105 . 1 1 89 89 LEU HG H 1 1.794 0.030 . 1 . . . . 89 LEU HG . 11258 1 1106 . 1 1 89 89 LEU C C 13 177.039 0.300 . 1 . . . . 89 LEU C . 11258 1 1107 . 1 1 89 89 LEU CA C 13 57.825 0.300 . 1 . . . . 89 LEU CA . 11258 1 1108 . 1 1 89 89 LEU CB C 13 43.352 0.300 . 1 . . . . 89 LEU CB . 11258 1 1109 . 1 1 89 89 LEU CD1 C 13 26.134 0.300 . 2 . . . . 89 LEU CD1 . 11258 1 1110 . 1 1 89 89 LEU CD2 C 13 23.616 0.300 . 2 . . . . 89 LEU CD2 . 11258 1 1111 . 1 1 89 89 LEU CG C 13 26.925 0.300 . 1 . . . . 89 LEU CG . 11258 1 1112 . 1 1 89 89 LEU N N 15 121.773 0.300 . 1 . . . . 89 LEU N . 11258 1 1113 . 1 1 90 90 ASP H H 1 7.722 0.030 . 1 . . . . 90 ASP H . 11258 1 1114 . 1 1 90 90 ASP HA H 1 4.698 0.030 . 1 . . . . 90 ASP HA . 11258 1 1115 . 1 1 90 90 ASP HB2 H 1 2.953 0.030 . 2 . . . . 90 ASP HB2 . 11258 1 1116 . 1 1 90 90 ASP HB3 H 1 2.587 0.030 . 2 . . . . 90 ASP HB3 . 11258 1 1117 . 1 1 90 90 ASP C C 13 176.902 0.300 . 1 . . . . 90 ASP C . 11258 1 1118 . 1 1 90 90 ASP CA C 13 54.356 0.300 . 1 . . . . 90 ASP CA . 11258 1 1119 . 1 1 90 90 ASP CB C 13 41.859 0.300 . 1 . . . . 90 ASP CB . 11258 1 1120 . 1 1 90 90 ASP N N 15 111.832 0.300 . 1 . . . . 90 ASP N . 11258 1 1121 . 1 1 91 91 TYR H H 1 7.579 0.030 . 1 . . . . 91 TYR H . 11258 1 1122 . 1 1 91 91 TYR HA H 1 4.172 0.030 . 1 . . . . 91 TYR HA . 11258 1 1123 . 1 1 91 91 TYR HB2 H 1 3.056 0.030 . 2 . . . . 91 TYR HB2 . 11258 1 1124 . 1 1 91 91 TYR HB3 H 1 2.869 0.030 . 2 . . . . 91 TYR HB3 . 11258 1 1125 . 1 1 91 91 TYR HD1 H 1 7.100 0.030 . 1 . . . . 91 TYR HD1 . 11258 1 1126 . 1 1 91 91 TYR HD2 H 1 7.100 0.030 . 1 . . . . 91 TYR HD2 . 11258 1 1127 . 1 1 91 91 TYR HE1 H 1 6.864 0.030 . 1 . . . . 91 TYR HE1 . 11258 1 1128 . 1 1 91 91 TYR HE2 H 1 6.864 0.030 . 1 . . . . 91 TYR HE2 . 11258 1 1129 . 1 1 91 91 TYR C C 13 174.496 0.300 . 1 . . . . 91 TYR C . 11258 1 1130 . 1 1 91 91 TYR CA C 13 60.362 0.300 . 1 . . . . 91 TYR CA . 11258 1 1131 . 1 1 91 91 TYR CB C 13 36.919 0.300 . 1 . . . . 91 TYR CB . 11258 1 1132 . 1 1 91 91 TYR CD1 C 13 133.024 0.300 . 1 . . . . 91 TYR CD1 . 11258 1 1133 . 1 1 91 91 TYR CD2 C 13 133.024 0.300 . 1 . . . . 91 TYR CD2 . 11258 1 1134 . 1 1 91 91 TYR CE1 C 13 118.328 0.300 . 1 . . . . 91 TYR CE1 . 11258 1 1135 . 1 1 91 91 TYR CE2 C 13 118.328 0.300 . 1 . . . . 91 TYR CE2 . 11258 1 1136 . 1 1 91 91 TYR N N 15 123.345 0.300 . 1 . . . . 91 TYR N . 11258 1 1137 . 1 1 92 92 GLN H H 1 7.645 0.030 . 1 . . . . 92 GLN H . 11258 1 1138 . 1 1 92 92 GLN HA H 1 4.346 0.030 . 1 . . . . 92 GLN HA . 11258 1 1139 . 1 1 92 92 GLN HB2 H 1 1.731 0.030 . 2 . . . . 92 GLN HB2 . 11258 1 1140 . 1 1 92 92 GLN HB3 H 1 1.833 0.030 . 2 . . . . 92 GLN HB3 . 11258 1 1141 . 1 1 92 92 GLN HE21 H 1 7.747 0.030 . 2 . . . . 92 GLN HE21 . 11258 1 1142 . 1 1 92 92 GLN HE22 H 1 6.828 0.030 . 2 . . . . 92 GLN HE22 . 11258 1 1143 . 1 1 92 92 GLN HG2 H 1 2.583 0.030 . 2 . . . . 92 GLN HG2 . 11258 1 1144 . 1 1 92 92 GLN HG3 H 1 2.121 0.030 . 2 . . . . 92 GLN HG3 . 11258 1 1145 . 1 1 92 92 GLN C C 13 174.376 0.300 . 1 . . . . 92 GLN C . 11258 1 1146 . 1 1 92 92 GLN CA C 13 55.014 0.300 . 1 . . . . 92 GLN CA . 11258 1 1147 . 1 1 92 92 GLN CB C 13 27.851 0.300 . 1 . . . . 92 GLN CB . 11258 1 1148 . 1 1 92 92 GLN CG C 13 34.392 0.300 . 1 . . . . 92 GLN CG . 11258 1 1149 . 1 1 92 92 GLN N N 15 126.873 0.300 . 1 . . . . 92 GLN N . 11258 1 1150 . 1 1 92 92 GLN NE2 N 15 111.542 0.300 . 1 . . . . 92 GLN NE2 . 11258 1 1151 . 1 1 93 93 LEU H H 1 7.620 0.030 . 1 . . . . 93 LEU H . 11258 1 1152 . 1 1 93 93 LEU HA H 1 4.088 0.030 . 1 . . . . 93 LEU HA . 11258 1 1153 . 1 1 93 93 LEU HB2 H 1 1.537 0.030 . 2 . . . . 93 LEU HB2 . 11258 1 1154 . 1 1 93 93 LEU HB3 H 1 1.226 0.030 . 2 . . . . 93 LEU HB3 . 11258 1 1155 . 1 1 93 93 LEU HD11 H 1 0.881 0.030 . 1 . . . . 93 LEU HD1 . 11258 1 1156 . 1 1 93 93 LEU HD12 H 1 0.881 0.030 . 1 . . . . 93 LEU HD1 . 11258 1 1157 . 1 1 93 93 LEU HD13 H 1 0.881 0.030 . 1 . . . . 93 LEU HD1 . 11258 1 1158 . 1 1 93 93 LEU HD21 H 1 1.076 0.030 . 1 . . . . 93 LEU HD2 . 11258 1 1159 . 1 1 93 93 LEU HD22 H 1 1.076 0.030 . 1 . . . . 93 LEU HD2 . 11258 1 1160 . 1 1 93 93 LEU HD23 H 1 1.076 0.030 . 1 . . . . 93 LEU HD2 . 11258 1 1161 . 1 1 93 93 LEU HG H 1 1.631 0.030 . 1 . . . . 93 LEU HG . 11258 1 1162 . 1 1 93 93 LEU C C 13 175.763 0.300 . 1 . . . . 93 LEU C . 11258 1 1163 . 1 1 93 93 LEU CA C 13 55.534 0.300 . 1 . . . . 93 LEU CA . 11258 1 1164 . 1 1 93 93 LEU CB C 13 43.266 0.300 . 1 . . . . 93 LEU CB . 11258 1 1165 . 1 1 93 93 LEU CD1 C 13 27.326 0.300 . 2 . . . . 93 LEU CD1 . 11258 1 1166 . 1 1 93 93 LEU CD2 C 13 24.473 0.300 . 2 . . . . 93 LEU CD2 . 11258 1 1167 . 1 1 93 93 LEU CG C 13 27.606 0.300 . 1 . . . . 93 LEU CG . 11258 1 1168 . 1 1 93 93 LEU N N 15 121.922 0.300 . 1 . . . . 93 LEU N . 11258 1 1169 . 1 1 94 94 GLN H H 1 8.762 0.030 . 1 . . . . 94 GLN H . 11258 1 1170 . 1 1 94 94 GLN HA H 1 4.441 0.030 . 1 . . . . 94 GLN HA . 11258 1 1171 . 1 1 94 94 GLN HB2 H 1 2.091 0.030 . 2 . . . . 94 GLN HB2 . 11258 1 1172 . 1 1 94 94 GLN HB3 H 1 2.032 0.030 . 2 . . . . 94 GLN HB3 . 11258 1 1173 . 1 1 94 94 GLN HE21 H 1 6.851 0.030 . 2 . . . . 94 GLN HE21 . 11258 1 1174 . 1 1 94 94 GLN HE22 H 1 7.230 0.030 . 2 . . . . 94 GLN HE22 . 11258 1 1175 . 1 1 94 94 GLN HG2 H 1 2.487 0.030 . 2 . . . . 94 GLN HG2 . 11258 1 1176 . 1 1 94 94 GLN HG3 H 1 2.360 0.030 . 2 . . . . 94 GLN HG3 . 11258 1 1177 . 1 1 94 94 GLN C C 13 174.868 0.300 . 1 . . . . 94 GLN C . 11258 1 1178 . 1 1 94 94 GLN CA C 13 52.543 0.300 . 1 . . . . 94 GLN CA . 11258 1 1179 . 1 1 94 94 GLN CB C 13 31.202 0.300 . 1 . . . . 94 GLN CB . 11258 1 1180 . 1 1 94 94 GLN CG C 13 33.857 0.300 . 1 . . . . 94 GLN CG . 11258 1 1181 . 1 1 94 94 GLN N N 15 120.087 0.300 . 1 . . . . 94 GLN N . 11258 1 1182 . 1 1 94 94 GLN NE2 N 15 114.239 0.300 . 1 . . . . 94 GLN NE2 . 11258 1 1183 . 1 1 95 95 ASP H H 1 8.561 0.030 . 1 . . . . 95 ASP H . 11258 1 1184 . 1 1 95 95 ASP HA H 1 4.283 0.030 . 1 . . . . 95 ASP HA . 11258 1 1185 . 1 1 95 95 ASP HB2 H 1 2.702 0.030 . 2 . . . . 95 ASP HB2 . 11258 1 1186 . 1 1 95 95 ASP HB3 H 1 2.510 0.030 . 2 . . . . 95 ASP HB3 . 11258 1 1187 . 1 1 95 95 ASP C C 13 177.505 0.300 . 1 . . . . 95 ASP C . 11258 1 1188 . 1 1 95 95 ASP CA C 13 56.964 0.300 . 1 . . . . 95 ASP CA . 11258 1 1189 . 1 1 95 95 ASP CB C 13 41.888 0.300 . 1 . . . . 95 ASP CB . 11258 1 1190 . 1 1 95 95 ASP N N 15 120.647 0.300 . 1 . . . . 95 ASP N . 11258 1 1191 . 1 1 96 96 GLN H H 1 9.299 0.030 . 1 . . . . 96 GLN H . 11258 1 1192 . 1 1 96 96 GLN HA H 1 3.615 0.030 . 1 . . . . 96 GLN HA . 11258 1 1193 . 1 1 96 96 GLN HB2 H 1 2.340 0.030 . 2 . . . . 96 GLN HB2 . 11258 1 1194 . 1 1 96 96 GLN HB3 H 1 2.445 0.030 . 2 . . . . 96 GLN HB3 . 11258 1 1195 . 1 1 96 96 GLN HE21 H 1 6.724 0.030 . 2 . . . . 96 GLN HE21 . 11258 1 1196 . 1 1 96 96 GLN HE22 H 1 7.726 0.030 . 2 . . . . 96 GLN HE22 . 11258 1 1197 . 1 1 96 96 GLN HG2 H 1 2.252 0.030 . 2 . . . . 96 GLN HG2 . 11258 1 1198 . 1 1 96 96 GLN HG3 H 1 2.338 0.030 . 2 . . . . 96 GLN HG3 . 11258 1 1199 . 1 1 96 96 GLN C C 13 175.318 0.300 . 1 . . . . 96 GLN C . 11258 1 1200 . 1 1 96 96 GLN CA C 13 57.481 0.300 . 1 . . . . 96 GLN CA . 11258 1 1201 . 1 1 96 96 GLN CB C 13 25.524 0.300 . 1 . . . . 96 GLN CB . 11258 1 1202 . 1 1 96 96 GLN CG C 13 33.280 0.300 . 1 . . . . 96 GLN CG . 11258 1 1203 . 1 1 96 96 GLN N N 15 116.628 0.300 . 1 . . . . 96 GLN N . 11258 1 1204 . 1 1 96 96 GLN NE2 N 15 113.803 0.300 . 1 . . . . 96 GLN NE2 . 11258 1 1205 . 1 1 97 97 ASP H H 1 8.250 0.030 . 1 . . . . 97 ASP H . 11258 1 1206 . 1 1 97 97 ASP HA H 1 4.782 0.030 . 1 . . . . 97 ASP HA . 11258 1 1207 . 1 1 97 97 ASP HB2 H 1 2.940 0.030 . 2 . . . . 97 ASP HB2 . 11258 1 1208 . 1 1 97 97 ASP HB3 H 1 2.349 0.030 . 2 . . . . 97 ASP HB3 . 11258 1 1209 . 1 1 97 97 ASP C C 13 174.926 0.300 . 1 . . . . 97 ASP C . 11258 1 1210 . 1 1 97 97 ASP CA C 13 56.288 0.300 . 1 . . . . 97 ASP CA . 11258 1 1211 . 1 1 97 97 ASP CB C 13 42.254 0.300 . 1 . . . . 97 ASP CB . 11258 1 1212 . 1 1 97 97 ASP N N 15 121.089 0.300 . 1 . . . . 97 ASP N . 11258 1 1213 . 1 1 98 98 SER H H 1 8.275 0.030 . 1 . . . . 98 SER H . 11258 1 1214 . 1 1 98 98 SER HA H 1 5.287 0.030 . 1 . . . . 98 SER HA . 11258 1 1215 . 1 1 98 98 SER HB2 H 1 3.819 0.030 . 2 . . . . 98 SER HB2 . 11258 1 1216 . 1 1 98 98 SER HB3 H 1 3.675 0.030 . 2 . . . . 98 SER HB3 . 11258 1 1217 . 1 1 98 98 SER C C 13 173.329 0.300 . 1 . . . . 98 SER C . 11258 1 1218 . 1 1 98 98 SER CA C 13 55.982 0.300 . 1 . . . . 98 SER CA . 11258 1 1219 . 1 1 98 98 SER CB C 13 64.409 0.300 . 1 . . . . 98 SER CB . 11258 1 1220 . 1 1 98 98 SER N N 15 113.497 0.300 . 1 . . . . 98 SER N . 11258 1 1221 . 1 1 99 99 ILE H H 1 9.135 0.030 . 1 . . . . 99 ILE H . 11258 1 1222 . 1 1 99 99 ILE HA H 1 4.641 0.030 . 1 . . . . 99 ILE HA . 11258 1 1223 . 1 1 99 99 ILE HB H 1 1.688 0.030 . 1 . . . . 99 ILE HB . 11258 1 1224 . 1 1 99 99 ILE HD11 H 1 0.711 0.030 . 1 . . . . 99 ILE HD1 . 11258 1 1225 . 1 1 99 99 ILE HD12 H 1 0.711 0.030 . 1 . . . . 99 ILE HD1 . 11258 1 1226 . 1 1 99 99 ILE HD13 H 1 0.711 0.030 . 1 . . . . 99 ILE HD1 . 11258 1 1227 . 1 1 99 99 ILE HG12 H 1 1.106 0.030 . 1 . . . . 99 ILE HG12 . 11258 1 1228 . 1 1 99 99 ILE HG13 H 1 1.106 0.030 . 1 . . . . 99 ILE HG13 . 11258 1 1229 . 1 1 99 99 ILE HG21 H 1 0.178 0.030 . 1 . . . . 99 ILE HG2 . 11258 1 1230 . 1 1 99 99 ILE HG22 H 1 0.178 0.030 . 1 . . . . 99 ILE HG2 . 11258 1 1231 . 1 1 99 99 ILE HG23 H 1 0.178 0.030 . 1 . . . . 99 ILE HG2 . 11258 1 1232 . 1 1 99 99 ILE C C 13 173.134 0.300 . 1 . . . . 99 ILE C . 11258 1 1233 . 1 1 99 99 ILE CA C 13 59.619 0.300 . 1 . . . . 99 ILE CA . 11258 1 1234 . 1 1 99 99 ILE CB C 13 39.098 0.300 . 1 . . . . 99 ILE CB . 11258 1 1235 . 1 1 99 99 ILE CD1 C 13 14.333 0.300 . 1 . . . . 99 ILE CD1 . 11258 1 1236 . 1 1 99 99 ILE CG1 C 13 28.523 0.300 . 1 . . . . 99 ILE CG1 . 11258 1 1237 . 1 1 99 99 ILE CG2 C 13 19.677 0.300 . 1 . . . . 99 ILE CG2 . 11258 1 1238 . 1 1 99 99 ILE N N 15 128.366 0.300 . 1 . . . . 99 ILE N . 11258 1 1239 . 1 1 100 100 LEU H H 1 8.908 0.030 . 1 . . . . 100 LEU H . 11258 1 1240 . 1 1 100 100 LEU HA H 1 4.968 0.030 . 1 . . . . 100 LEU HA . 11258 1 1241 . 1 1 100 100 LEU HB2 H 1 1.549 0.030 . 2 . . . . 100 LEU HB2 . 11258 1 1242 . 1 1 100 100 LEU HB3 H 1 1.241 0.030 . 2 . . . . 100 LEU HB3 . 11258 1 1243 . 1 1 100 100 LEU HD11 H 1 0.618 0.030 . 1 . . . . 100 LEU HD1 . 11258 1 1244 . 1 1 100 100 LEU HD12 H 1 0.618 0.030 . 1 . . . . 100 LEU HD1 . 11258 1 1245 . 1 1 100 100 LEU HD13 H 1 0.618 0.030 . 1 . . . . 100 LEU HD1 . 11258 1 1246 . 1 1 100 100 LEU HD21 H 1 0.755 0.030 . 1 . . . . 100 LEU HD2 . 11258 1 1247 . 1 1 100 100 LEU HD22 H 1 0.755 0.030 . 1 . . . . 100 LEU HD2 . 11258 1 1248 . 1 1 100 100 LEU HD23 H 1 0.755 0.030 . 1 . . . . 100 LEU HD2 . 11258 1 1249 . 1 1 100 100 LEU HG H 1 1.265 0.030 . 1 . . . . 100 LEU HG . 11258 1 1250 . 1 1 100 100 LEU C C 13 173.676 0.300 . 1 . . . . 100 LEU C . 11258 1 1251 . 1 1 100 100 LEU CA C 13 53.001 0.300 . 1 . . . . 100 LEU CA . 11258 1 1252 . 1 1 100 100 LEU CB C 13 45.143 0.300 . 1 . . . . 100 LEU CB . 11258 1 1253 . 1 1 100 100 LEU CD1 C 13 22.917 0.300 . 2 . . . . 100 LEU CD1 . 11258 1 1254 . 1 1 100 100 LEU CD2 C 13 26.217 0.300 . 2 . . . . 100 LEU CD2 . 11258 1 1255 . 1 1 100 100 LEU CG C 13 27.771 0.300 . 1 . . . . 100 LEU CG . 11258 1 1256 . 1 1 100 100 LEU N N 15 131.040 0.300 . 1 . . . . 100 LEU N . 11258 1 1257 . 1 1 101 101 PHE H H 1 8.782 0.030 . 1 . . . . 101 PHE H . 11258 1 1258 . 1 1 101 101 PHE HA H 1 5.415 0.030 . 1 . . . . 101 PHE HA . 11258 1 1259 . 1 1 101 101 PHE HB2 H 1 3.432 0.030 . 2 . . . . 101 PHE HB2 . 11258 1 1260 . 1 1 101 101 PHE HB3 H 1 2.885 0.030 . 2 . . . . 101 PHE HB3 . 11258 1 1261 . 1 1 101 101 PHE HD1 H 1 6.924 0.030 . 1 . . . . 101 PHE HD1 . 11258 1 1262 . 1 1 101 101 PHE HD2 H 1 6.924 0.030 . 1 . . . . 101 PHE HD2 . 11258 1 1263 . 1 1 101 101 PHE HE1 H 1 6.823 0.030 . 1 . . . . 101 PHE HE1 . 11258 1 1264 . 1 1 101 101 PHE HE2 H 1 6.823 0.030 . 1 . . . . 101 PHE HE2 . 11258 1 1265 . 1 1 101 101 PHE HZ H 1 6.830 0.030 . 1 . . . . 101 PHE HZ . 11258 1 1266 . 1 1 101 101 PHE C C 13 175.035 0.300 . 1 . . . . 101 PHE C . 11258 1 1267 . 1 1 101 101 PHE CA C 13 55.918 0.300 . 1 . . . . 101 PHE CA . 11258 1 1268 . 1 1 101 101 PHE CB C 13 41.214 0.300 . 1 . . . . 101 PHE CB . 11258 1 1269 . 1 1 101 101 PHE CD1 C 13 133.305 0.300 . 1 . . . . 101 PHE CD1 . 11258 1 1270 . 1 1 101 101 PHE CD2 C 13 133.305 0.300 . 1 . . . . 101 PHE CD2 . 11258 1 1271 . 1 1 101 101 PHE CE1 C 13 130.619 0.300 . 1 . . . . 101 PHE CE1 . 11258 1 1272 . 1 1 101 101 PHE CE2 C 13 130.619 0.300 . 1 . . . . 101 PHE CE2 . 11258 1 1273 . 1 1 101 101 PHE CZ C 13 128.036 0.300 . 1 . . . . 101 PHE CZ . 11258 1 1274 . 1 1 101 101 PHE N N 15 122.480 0.300 . 1 . . . . 101 PHE N . 11258 1 1275 . 1 1 102 102 ILE H H 1 9.105 0.030 . 1 . . . . 102 ILE H . 11258 1 1276 . 1 1 102 102 ILE HA H 1 4.627 0.030 . 1 . . . . 102 ILE HA . 11258 1 1277 . 1 1 102 102 ILE HB H 1 1.683 0.030 . 1 . . . . 102 ILE HB . 11258 1 1278 . 1 1 102 102 ILE HD11 H 1 0.791 0.030 . 1 . . . . 102 ILE HD1 . 11258 1 1279 . 1 1 102 102 ILE HD12 H 1 0.791 0.030 . 1 . . . . 102 ILE HD1 . 11258 1 1280 . 1 1 102 102 ILE HD13 H 1 0.791 0.030 . 1 . . . . 102 ILE HD1 . 11258 1 1281 . 1 1 102 102 ILE HG12 H 1 1.373 0.030 . 2 . . . . 102 ILE HG12 . 11258 1 1282 . 1 1 102 102 ILE HG13 H 1 0.914 0.030 . 2 . . . . 102 ILE HG13 . 11258 1 1283 . 1 1 102 102 ILE HG21 H 1 0.824 0.030 . 1 . . . . 102 ILE HG2 . 11258 1 1284 . 1 1 102 102 ILE HG22 H 1 0.824 0.030 . 1 . . . . 102 ILE HG2 . 11258 1 1285 . 1 1 102 102 ILE HG23 H 1 0.824 0.030 . 1 . . . . 102 ILE HG2 . 11258 1 1286 . 1 1 102 102 ILE C C 13 175.969 0.300 . 1 . . . . 102 ILE C . 11258 1 1287 . 1 1 102 102 ILE CA C 13 58.797 0.300 . 1 . . . . 102 ILE CA . 11258 1 1288 . 1 1 102 102 ILE CB C 13 41.361 0.300 . 1 . . . . 102 ILE CB . 11258 1 1289 . 1 1 102 102 ILE CD1 C 13 13.130 0.300 . 1 . . . . 102 ILE CD1 . 11258 1 1290 . 1 1 102 102 ILE CG1 C 13 27.174 0.300 . 1 . . . . 102 ILE CG1 . 11258 1 1291 . 1 1 102 102 ILE CG2 C 13 17.078 0.300 . 1 . . . . 102 ILE CG2 . 11258 1 1292 . 1 1 102 102 ILE N N 15 121.486 0.300 . 1 . . . . 102 ILE N . 11258 1 1293 . 1 1 103 103 SER H H 1 8.086 0.030 . 1 . . . . 103 SER H . 11258 1 1294 . 1 1 103 103 SER HA H 1 4.951 0.030 . 1 . . . . 103 SER HA . 11258 1 1295 . 1 1 103 103 SER HB2 H 1 4.008 0.030 . 2 . . . . 103 SER HB2 . 11258 1 1296 . 1 1 103 103 SER HB3 H 1 3.840 0.030 . 2 . . . . 103 SER HB3 . 11258 1 1297 . 1 1 103 103 SER C C 13 174.921 0.300 . 1 . . . . 103 SER C . 11258 1 1298 . 1 1 103 103 SER CA C 13 58.098 0.300 . 1 . . . . 103 SER CA . 11258 1 1299 . 1 1 103 103 SER CB C 13 63.855 0.300 . 1 . . . . 103 SER CB . 11258 1 1300 . 1 1 103 103 SER N N 15 119.679 0.300 . 1 . . . . 103 SER N . 11258 1 1301 . 1 1 104 104 THR H H 1 8.183 0.030 . 1 . . . . 104 THR H . 11258 1 1302 . 1 1 104 104 THR HA H 1 4.660 0.030 . 1 . . . . 104 THR HA . 11258 1 1303 . 1 1 104 104 THR HB H 1 4.454 0.030 . 1 . . . . 104 THR HB . 11258 1 1304 . 1 1 104 104 THR HG21 H 1 1.255 0.030 . 1 . . . . 104 THR HG2 . 11258 1 1305 . 1 1 104 104 THR HG22 H 1 1.255 0.030 . 1 . . . . 104 THR HG2 . 11258 1 1306 . 1 1 104 104 THR HG23 H 1 1.255 0.030 . 1 . . . . 104 THR HG2 . 11258 1 1307 . 1 1 104 104 THR C C 13 174.821 0.300 . 1 . . . . 104 THR C . 11258 1 1308 . 1 1 104 104 THR CA C 13 61.546 0.300 . 1 . . . . 104 THR CA . 11258 1 1309 . 1 1 104 104 THR CB C 13 70.133 0.300 . 1 . . . . 104 THR CB . 11258 1 1310 . 1 1 104 104 THR CG2 C 13 21.476 0.300 . 1 . . . . 104 THR CG2 . 11258 1 1311 . 1 1 104 104 THR N N 15 116.341 0.300 . 1 . . . . 104 THR N . 11258 1 1312 . 1 1 105 105 LEU H H 1 8.140 0.030 . 1 . . . . 105 LEU H . 11258 1 1313 . 1 1 105 105 LEU HA H 1 4.359 0.030 . 1 . . . . 105 LEU HA . 11258 1 1314 . 1 1 105 105 LEU HB2 H 1 1.520 0.030 . 2 . . . . 105 LEU HB2 . 11258 1 1315 . 1 1 105 105 LEU HB3 H 1 1.576 0.030 . 2 . . . . 105 LEU HB3 . 11258 1 1316 . 1 1 105 105 LEU HD11 H 1 0.910 0.030 . 1 . . . . 105 LEU HD1 . 11258 1 1317 . 1 1 105 105 LEU HD12 H 1 0.910 0.030 . 1 . . . . 105 LEU HD1 . 11258 1 1318 . 1 1 105 105 LEU HD13 H 1 0.910 0.030 . 1 . . . . 105 LEU HD1 . 11258 1 1319 . 1 1 105 105 LEU HD21 H 1 0.927 0.030 . 1 . . . . 105 LEU HD2 . 11258 1 1320 . 1 1 105 105 LEU HD22 H 1 0.927 0.030 . 1 . . . . 105 LEU HD2 . 11258 1 1321 . 1 1 105 105 LEU HD23 H 1 0.927 0.030 . 1 . . . . 105 LEU HD2 . 11258 1 1322 . 1 1 105 105 LEU HG H 1 1.591 0.030 . 1 . . . . 105 LEU HG . 11258 1 1323 . 1 1 105 105 LEU C C 13 177.310 0.300 . 1 . . . . 105 LEU C . 11258 1 1324 . 1 1 105 105 LEU CA C 13 55.567 0.300 . 1 . . . . 105 LEU CA . 11258 1 1325 . 1 1 105 105 LEU CB C 13 42.268 0.300 . 1 . . . . 105 LEU CB . 11258 1 1326 . 1 1 105 105 LEU CD1 C 13 23.373 0.300 . 2 . . . . 105 LEU CD1 . 11258 1 1327 . 1 1 105 105 LEU CD2 C 13 24.727 0.300 . 2 . . . . 105 LEU CD2 . 11258 1 1328 . 1 1 105 105 LEU CG C 13 27.174 0.300 . 1 . . . . 105 LEU CG . 11258 1 1329 . 1 1 105 105 LEU N N 15 122.752 0.300 . 1 . . . . 105 LEU N . 11258 1 1330 . 1 1 106 106 HIS H H 1 8.590 0.030 . 1 . . . . 106 HIS H . 11258 1 1331 . 1 1 106 106 HIS HA H 1 4.768 0.030 . 1 . . . . 106 HIS HA . 11258 1 1332 . 1 1 106 106 HIS HB2 H 1 3.173 0.030 . 2 . . . . 106 HIS HB2 . 11258 1 1333 . 1 1 106 106 HIS HB3 H 1 3.319 0.030 . 2 . . . . 106 HIS HB3 . 11258 1 1334 . 1 1 106 106 HIS HD2 H 1 7.207 0.030 . 1 . . . . 106 HIS HD2 . 11258 1 1335 . 1 1 106 106 HIS HE1 H 1 8.259 0.030 . 1 . . . . 106 HIS HE1 . 11258 1 1336 . 1 1 106 106 HIS C C 13 175.445 0.300 . 1 . . . . 106 HIS C . 11258 1 1337 . 1 1 106 106 HIS CA C 13 55.754 0.300 . 1 . . . . 106 HIS CA . 11258 1 1338 . 1 1 106 106 HIS CB C 13 29.804 0.300 . 1 . . . . 106 HIS CB . 11258 1 1339 . 1 1 106 106 HIS CD2 C 13 120.318 0.300 . 1 . . . . 106 HIS CD2 . 11258 1 1340 . 1 1 106 106 HIS CE1 C 13 137.216 0.300 . 1 . . . . 106 HIS CE1 . 11258 1 1341 . 1 1 106 106 HIS N N 15 119.836 0.300 . 1 . . . . 106 HIS N . 11258 1 1342 . 1 1 107 107 GLY H H 1 8.429 0.030 . 1 . . . . 107 GLY H . 11258 1 1343 . 1 1 107 107 GLY C C 13 174.673 0.300 . 1 . . . . 107 GLY C . 11258 1 1344 . 1 1 107 107 GLY CA C 13 45.408 0.300 . 1 . . . . 107 GLY CA . 11258 1 1345 . 1 1 107 107 GLY N N 15 110.204 0.300 . 1 . . . . 107 GLY N . 11258 1 stop_ save_