data_10273 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10273 _Entry.Title ; Solution structures of the TGS domain of human developmentally-regulated GTP-binding protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 M. Sato . . . 10273 2 S. Koshiba . . . 10273 3 S. Watanabe . . . 10273 4 T. Harada . . . 10273 5 T. Kigawa . . . 10273 6 S. Yokoyama . . . 10273 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10273 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10273 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 10273 '15N chemical shifts' 81 10273 '1H chemical shifts' 634 10273 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 . . 2009-12-14 2008-12-15 original author . 10273 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EKI 'BMRB Entry Tracking System' 10273 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10273 _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 structures of the TGS domain of human developmentally-regulated GTP-binding protein 1 ; _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 M. Sato . . . 10273 1 2 S. Koshiba . . . 10273 1 3 S. Watanabe . . . 10273 1 4 T. Harada . . . 10273 1 5 T. Kigawa . . . 10273 1 6 S. Yokoyama . . . 10273 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10273 _Assembly.ID 1 _Assembly.Name 'Developmentally-regulated GTP-binding protein 1' _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 'TGS domain' 1 $entity_1 . . yes native no no . . . 10273 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EKI . . . . . . 10273 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10273 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TGS domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGYLKLVRIYTKPKG QLPDYTSPVVLPYSRTTVED FCMKIHKNLIKEFKYALVWG LSVKHNPQKVGKDHTLEDED VIQIVKKSGPSSG ; _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 93 _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 2EKI . "Solution Structures Of The Tgs Domain Of Human Developmentally-Regulated Gtp-Binding Protein 1" . . . . . 100.00 93 100.00 100.00 8.98e-60 . . . . 10273 1 2 no DBJ BAA01555 . "GTP-binding protein [Mus musculus]" . . . . . 86.02 367 100.00 100.00 4.84e-48 . . . . 10273 1 3 no DBJ BAC38030 . "unnamed protein product [Mus musculus]" . . . . . 86.02 367 100.00 100.00 5.79e-48 . . . . 10273 1 4 no DBJ BAE25890 . "unnamed protein product [Mus musculus]" . . . . . 86.02 367 100.00 100.00 4.84e-48 . . . . 10273 1 5 no DBJ BAE33021 . "unnamed protein product [Mus musculus]" . . . . . 86.02 367 100.00 100.00 4.84e-48 . . . . 10273 1 6 no DBJ BAG38025 . "unnamed protein product [Homo sapiens]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 7 no EMBL CAA06775 . "GTP-binding protein [Homo sapiens]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 8 no EMBL CAB61403 . "hypothetical protein [Homo sapiens]" . . . . . 87.10 150 98.77 98.77 1.48e-49 . . . . 10273 1 9 no EMBL CAG30374 . "DRG1 [Homo sapiens]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 10 no EMBL CAG46856 . "DRG1 [Homo sapiens]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 11 no EMBL CAK54479 . "DRG1 [synthetic construct]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 12 no GB AAD12240 . "developmentally regulated GTP-binding protein [Homo sapiens]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 13 no GB AAH19285 . "Developmentally regulated GTP binding protein 1 [Homo sapiens]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 14 no GB AAH20803 . "Developmentally regulated GTP binding protein 1 [Homo sapiens]" . . . . . 86.02 367 100.00 100.00 4.30e-48 . . . . 10273 1 15 no GB AAH39649 . "Developmentally regulated GTP binding protein 1 [Mus musculus]" . . . . . 86.02 367 100.00 100.00 5.43e-48 . . . . 10273 1 16 no GB AAH88410 . "Developmentally regulated GTP binding protein 1 [Rattus norvegicus]" . . . . . 86.02 367 100.00 100.00 4.84e-48 . . . . 10273 1 17 no REF NP_001009685 . "developmentally-regulated GTP-binding protein 1 [Rattus norvegicus]" . . . . . 86.02 367 100.00 100.00 4.84e-48 . . . . 10273 1 18 no REF NP_001029863 . "developmentally-regulated GTP-binding protein 1 [Bos taurus]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 19 no REF NP_001162241 . "developmentally-regulated GTP-binding protein 1 [Papio anubis]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 20 no REF NP_001164823 . "developmentally-regulated GTP-binding protein 1 [Oryctolagus cuniculus]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 21 no REF NP_001253866 . "developmentally-regulated GTP-binding protein 1 [Macaca mulatta]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 22 no SP P32233 . "RecName: Full=Developmentally-regulated GTP-binding protein 1; Short=DRG-1; AltName: Full=Neural precursor cell expressed devel" . . . . . 86.02 367 100.00 100.00 4.84e-48 . . . . 10273 1 23 no SP Q3MHP5 . "RecName: Full=Developmentally-regulated GTP-binding protein 1; Short=DRG-1" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 24 no SP Q9Y295 . "RecName: Full=Developmentally-regulated GTP-binding protein 1; Short=DRG-1; AltName: Full=Neural precursor cell expressed devel" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 25 no TPG DAA20497 . "TPA: developmentally-regulated GTP-binding protein 1 [Bos taurus]" . . . . . 86.02 367 100.00 100.00 4.26e-48 . . . . 10273 1 26 no TPG DAA22636 . "TPA: developmentally regulated GTP binding protein 1-like [Bos taurus]" . . . . . 86.02 367 97.50 98.75 2.23e-46 . . . . 10273 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'TGS domain' . 10273 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 . 10273 1 2 . SER . 10273 1 3 . SER . 10273 1 4 . GLY . 10273 1 5 . SER . 10273 1 6 . SER . 10273 1 7 . GLY . 10273 1 8 . TYR . 10273 1 9 . LEU . 10273 1 10 . LYS . 10273 1 11 . LEU . 10273 1 12 . VAL . 10273 1 13 . ARG . 10273 1 14 . ILE . 10273 1 15 . TYR . 10273 1 16 . THR . 10273 1 17 . LYS . 10273 1 18 . PRO . 10273 1 19 . LYS . 10273 1 20 . GLY . 10273 1 21 . GLN . 10273 1 22 . LEU . 10273 1 23 . PRO . 10273 1 24 . ASP . 10273 1 25 . TYR . 10273 1 26 . THR . 10273 1 27 . SER . 10273 1 28 . PRO . 10273 1 29 . VAL . 10273 1 30 . VAL . 10273 1 31 . LEU . 10273 1 32 . PRO . 10273 1 33 . TYR . 10273 1 34 . SER . 10273 1 35 . ARG . 10273 1 36 . THR . 10273 1 37 . THR . 10273 1 38 . VAL . 10273 1 39 . GLU . 10273 1 40 . ASP . 10273 1 41 . PHE . 10273 1 42 . CYS . 10273 1 43 . MET . 10273 1 44 . LYS . 10273 1 45 . ILE . 10273 1 46 . HIS . 10273 1 47 . LYS . 10273 1 48 . ASN . 10273 1 49 . LEU . 10273 1 50 . ILE . 10273 1 51 . LYS . 10273 1 52 . GLU . 10273 1 53 . PHE . 10273 1 54 . LYS . 10273 1 55 . TYR . 10273 1 56 . ALA . 10273 1 57 . LEU . 10273 1 58 . VAL . 10273 1 59 . TRP . 10273 1 60 . GLY . 10273 1 61 . LEU . 10273 1 62 . SER . 10273 1 63 . VAL . 10273 1 64 . LYS . 10273 1 65 . HIS . 10273 1 66 . ASN . 10273 1 67 . PRO . 10273 1 68 . GLN . 10273 1 69 . LYS . 10273 1 70 . VAL . 10273 1 71 . GLY . 10273 1 72 . LYS . 10273 1 73 . ASP . 10273 1 74 . HIS . 10273 1 75 . THR . 10273 1 76 . LEU . 10273 1 77 . GLU . 10273 1 78 . ASP . 10273 1 79 . GLU . 10273 1 80 . ASP . 10273 1 81 . VAL . 10273 1 82 . ILE . 10273 1 83 . GLN . 10273 1 84 . ILE . 10273 1 85 . VAL . 10273 1 86 . LYS . 10273 1 87 . LYS . 10273 1 88 . SER . 10273 1 89 . GLY . 10273 1 90 . PRO . 10273 1 91 . SER . 10273 1 92 . SER . 10273 1 93 . GLY . 10273 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 10273 1 . SER 2 2 10273 1 . SER 3 3 10273 1 . GLY 4 4 10273 1 . SER 5 5 10273 1 . SER 6 6 10273 1 . GLY 7 7 10273 1 . TYR 8 8 10273 1 . LEU 9 9 10273 1 . LYS 10 10 10273 1 . LEU 11 11 10273 1 . VAL 12 12 10273 1 . ARG 13 13 10273 1 . ILE 14 14 10273 1 . TYR 15 15 10273 1 . THR 16 16 10273 1 . LYS 17 17 10273 1 . PRO 18 18 10273 1 . LYS 19 19 10273 1 . GLY 20 20 10273 1 . GLN 21 21 10273 1 . LEU 22 22 10273 1 . PRO 23 23 10273 1 . ASP 24 24 10273 1 . TYR 25 25 10273 1 . THR 26 26 10273 1 . SER 27 27 10273 1 . PRO 28 28 10273 1 . VAL 29 29 10273 1 . VAL 30 30 10273 1 . LEU 31 31 10273 1 . PRO 32 32 10273 1 . TYR 33 33 10273 1 . SER 34 34 10273 1 . ARG 35 35 10273 1 . THR 36 36 10273 1 . THR 37 37 10273 1 . VAL 38 38 10273 1 . GLU 39 39 10273 1 . ASP 40 40 10273 1 . PHE 41 41 10273 1 . CYS 42 42 10273 1 . MET 43 43 10273 1 . LYS 44 44 10273 1 . ILE 45 45 10273 1 . HIS 46 46 10273 1 . LYS 47 47 10273 1 . ASN 48 48 10273 1 . LEU 49 49 10273 1 . ILE 50 50 10273 1 . LYS 51 51 10273 1 . GLU 52 52 10273 1 . PHE 53 53 10273 1 . LYS 54 54 10273 1 . TYR 55 55 10273 1 . ALA 56 56 10273 1 . LEU 57 57 10273 1 . VAL 58 58 10273 1 . TRP 59 59 10273 1 . GLY 60 60 10273 1 . LEU 61 61 10273 1 . SER 62 62 10273 1 . VAL 63 63 10273 1 . LYS 64 64 10273 1 . HIS 65 65 10273 1 . ASN 66 66 10273 1 . PRO 67 67 10273 1 . GLN 68 68 10273 1 . LYS 69 69 10273 1 . VAL 70 70 10273 1 . GLY 71 71 10273 1 . LYS 72 72 10273 1 . ASP 73 73 10273 1 . HIS 74 74 10273 1 . THR 75 75 10273 1 . LEU 76 76 10273 1 . GLU 77 77 10273 1 . ASP 78 78 10273 1 . GLU 79 79 10273 1 . ASP 80 80 10273 1 . VAL 81 81 10273 1 . ILE 82 82 10273 1 . GLN 83 83 10273 1 . ILE 84 84 10273 1 . VAL 85 85 10273 1 . LYS 86 86 10273 1 . LYS 87 87 10273 1 . SER 88 88 10273 1 . GLY 89 89 10273 1 . PRO 90 90 10273 1 . SER 91 91 10273 1 . SER 92 92 10273 1 . GLY 93 93 10273 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 10273 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10273 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 10273 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P051011-16 . . . . . . 10273 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10273 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TGS domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10273 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10273 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10273 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10273 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10273 1 6 H2O . . . . . . solvent 90 . . % . . . . 10273 1 7 D2O . . . . . . solvent 10 . . % . . . . 10273 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 10273 _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 10273 1 pH 7.0 0.05 pH 10273 1 pressure 1 0.001 atm 10273 1 temperature 298 0.1 K 10273 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10273 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10273 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10273 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10273 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10273 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10273 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10273 _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.' . . 10273 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10273 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10273 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9827 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10273 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10273 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10273 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10273 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10273 5 'structure solution' 10273 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 10273 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 10273 _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 . 700 . . . 10273 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 10273 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10273 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10273 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 10273 _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 . . . . . . . . . 10273 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10273 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10273 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 10273 _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 13C-separated NOESY' 1 $sample_1 isotropic 10273 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10273 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 3.759 0.030 . 1 . . . . 7 GLY HA2 . 10273 1 2 . 1 1 7 7 GLY HA3 H 1 3.759 0.030 . 1 . . . . 7 GLY HA3 . 10273 1 3 . 1 1 7 7 GLY C C 13 171.455 0.300 . 1 . . . . 7 GLY C . 10273 1 4 . 1 1 7 7 GLY CA C 13 42.980 0.300 . 1 . . . . 7 GLY CA . 10273 1 5 . 1 1 8 8 TYR H H 1 7.813 0.030 . 1 . . . . 8 TYR H . 10273 1 6 . 1 1 8 8 TYR HA H 1 4.391 0.030 . 1 . . . . 8 TYR HA . 10273 1 7 . 1 1 8 8 TYR HB2 H 1 2.868 0.030 . 2 . . . . 8 TYR HB2 . 10273 1 8 . 1 1 8 8 TYR HB3 H 1 2.806 0.030 . 2 . . . . 8 TYR HB3 . 10273 1 9 . 1 1 8 8 TYR HD1 H 1 6.929 0.030 . 1 . . . . 8 TYR HD1 . 10273 1 10 . 1 1 8 8 TYR HD2 H 1 6.929 0.030 . 1 . . . . 8 TYR HD2 . 10273 1 11 . 1 1 8 8 TYR HE1 H 1 6.713 0.030 . 1 . . . . 8 TYR HE1 . 10273 1 12 . 1 1 8 8 TYR HE2 H 1 6.713 0.030 . 1 . . . . 8 TYR HE2 . 10273 1 13 . 1 1 8 8 TYR C C 13 173.043 0.300 . 1 . . . . 8 TYR C . 10273 1 14 . 1 1 8 8 TYR CA C 13 55.501 0.300 . 1 . . . . 8 TYR CA . 10273 1 15 . 1 1 8 8 TYR CB C 13 36.317 0.300 . 1 . . . . 8 TYR CB . 10273 1 16 . 1 1 8 8 TYR CD1 C 13 130.942 0.300 . 1 . . . . 8 TYR CD1 . 10273 1 17 . 1 1 8 8 TYR CD2 C 13 130.942 0.300 . 1 . . . . 8 TYR CD2 . 10273 1 18 . 1 1 8 8 TYR CE1 C 13 115.962 0.300 . 1 . . . . 8 TYR CE1 . 10273 1 19 . 1 1 8 8 TYR CE2 C 13 115.962 0.300 . 1 . . . . 8 TYR CE2 . 10273 1 20 . 1 1 8 8 TYR N N 15 119.411 0.300 . 1 . . . . 8 TYR N . 10273 1 21 . 1 1 9 9 LEU H H 1 7.861 0.030 . 1 . . . . 9 LEU H . 10273 1 22 . 1 1 9 9 LEU HA H 1 4.118 0.030 . 1 . . . . 9 LEU HA . 10273 1 23 . 1 1 9 9 LEU HB2 H 1 1.397 0.030 . 1 . . . . 9 LEU HB2 . 10273 1 24 . 1 1 9 9 LEU HB3 H 1 1.397 0.030 . 1 . . . . 9 LEU HB3 . 10273 1 25 . 1 1 9 9 LEU HD11 H 1 0.773 0.030 . 1 . . . . 9 LEU HD1 . 10273 1 26 . 1 1 9 9 LEU HD12 H 1 0.773 0.030 . 1 . . . . 9 LEU HD1 . 10273 1 27 . 1 1 9 9 LEU HD13 H 1 0.773 0.030 . 1 . . . . 9 LEU HD1 . 10273 1 28 . 1 1 9 9 LEU HD21 H 1 0.701 0.030 . 1 . . . . 9 LEU HD2 . 10273 1 29 . 1 1 9 9 LEU HD22 H 1 0.701 0.030 . 1 . . . . 9 LEU HD2 . 10273 1 30 . 1 1 9 9 LEU HD23 H 1 0.701 0.030 . 1 . . . . 9 LEU HD2 . 10273 1 31 . 1 1 9 9 LEU HG H 1 1.301 0.030 . 1 . . . . 9 LEU HG . 10273 1 32 . 1 1 9 9 LEU C C 13 173.714 0.300 . 1 . . . . 9 LEU C . 10273 1 33 . 1 1 9 9 LEU CA C 13 52.544 0.300 . 1 . . . . 9 LEU CA . 10273 1 34 . 1 1 9 9 LEU CB C 13 40.106 0.300 . 1 . . . . 9 LEU CB . 10273 1 35 . 1 1 9 9 LEU CD1 C 13 22.513 0.300 . 2 . . . . 9 LEU CD1 . 10273 1 36 . 1 1 9 9 LEU CD2 C 13 21.400 0.300 . 2 . . . . 9 LEU CD2 . 10273 1 37 . 1 1 9 9 LEU CG C 13 24.453 0.300 . 1 . . . . 9 LEU CG . 10273 1 38 . 1 1 9 9 LEU N N 15 123.594 0.300 . 1 . . . . 9 LEU N . 10273 1 39 . 1 1 10 10 LYS H H 1 7.976 0.030 . 1 . . . . 10 LYS H . 10273 1 40 . 1 1 10 10 LYS HA H 1 4.108 0.030 . 1 . . . . 10 LYS HA . 10273 1 41 . 1 1 10 10 LYS HB2 H 1 1.629 0.030 . 2 . . . . 10 LYS HB2 . 10273 1 42 . 1 1 10 10 LYS HB3 H 1 1.540 0.030 . 2 . . . . 10 LYS HB3 . 10273 1 43 . 1 1 10 10 LYS HD2 H 1 1.411 0.030 . 2 . . . . 10 LYS HD2 . 10273 1 44 . 1 1 10 10 LYS HD3 H 1 1.336 0.030 . 2 . . . . 10 LYS HD3 . 10273 1 45 . 1 1 10 10 LYS HE2 H 1 2.660 0.030 . 1 . . . . 10 LYS HE2 . 10273 1 46 . 1 1 10 10 LYS HE3 H 1 2.660 0.030 . 1 . . . . 10 LYS HE3 . 10273 1 47 . 1 1 10 10 LYS HG2 H 1 1.256 0.030 . 2 . . . . 10 LYS HG2 . 10273 1 48 . 1 1 10 10 LYS HG3 H 1 1.121 0.030 . 2 . . . . 10 LYS HG3 . 10273 1 49 . 1 1 10 10 LYS C C 13 172.845 0.300 . 1 . . . . 10 LYS C . 10273 1 50 . 1 1 10 10 LYS CA C 13 54.150 0.300 . 1 . . . . 10 LYS CA . 10273 1 51 . 1 1 10 10 LYS CB C 13 30.736 0.300 . 1 . . . . 10 LYS CB . 10273 1 52 . 1 1 10 10 LYS CD C 13 26.789 0.300 . 1 . . . . 10 LYS CD . 10273 1 53 . 1 1 10 10 LYS CE C 13 39.612 0.300 . 1 . . . . 10 LYS CE . 10273 1 54 . 1 1 10 10 LYS CG C 13 22.597 0.300 . 1 . . . . 10 LYS CG . 10273 1 55 . 1 1 10 10 LYS N N 15 122.047 0.300 . 1 . . . . 10 LYS N . 10273 1 56 . 1 1 11 11 LEU H H 1 8.102 0.030 . 1 . . . . 11 LEU H . 10273 1 57 . 1 1 11 11 LEU HA H 1 4.711 0.030 . 1 . . . . 11 LEU HA . 10273 1 58 . 1 1 11 11 LEU HB2 H 1 1.487 0.030 . 2 . . . . 11 LEU HB2 . 10273 1 59 . 1 1 11 11 LEU HB3 H 1 1.170 0.030 . 2 . . . . 11 LEU HB3 . 10273 1 60 . 1 1 11 11 LEU HD11 H 1 0.720 0.030 . 1 . . . . 11 LEU HD1 . 10273 1 61 . 1 1 11 11 LEU HD12 H 1 0.720 0.030 . 1 . . . . 11 LEU HD1 . 10273 1 62 . 1 1 11 11 LEU HD13 H 1 0.720 0.030 . 1 . . . . 11 LEU HD1 . 10273 1 63 . 1 1 11 11 LEU HD21 H 1 0.629 0.030 . 1 . . . . 11 LEU HD2 . 10273 1 64 . 1 1 11 11 LEU HD22 H 1 0.629 0.030 . 1 . . . . 11 LEU HD2 . 10273 1 65 . 1 1 11 11 LEU HD23 H 1 0.629 0.030 . 1 . . . . 11 LEU HD2 . 10273 1 66 . 1 1 11 11 LEU HG H 1 1.455 0.030 . 1 . . . . 11 LEU HG . 10273 1 67 . 1 1 11 11 LEU C C 13 173.849 0.300 . 1 . . . . 11 LEU C . 10273 1 68 . 1 1 11 11 LEU CA C 13 51.523 0.300 . 1 . . . . 11 LEU CA . 10273 1 69 . 1 1 11 11 LEU CB C 13 41.767 0.300 . 1 . . . . 11 LEU CB . 10273 1 70 . 1 1 11 11 LEU CD1 C 13 22.848 0.300 . 2 . . . . 11 LEU CD1 . 10273 1 71 . 1 1 11 11 LEU CD2 C 13 20.588 0.300 . 2 . . . . 11 LEU CD2 . 10273 1 72 . 1 1 11 11 LEU CG C 13 24.123 0.300 . 1 . . . . 11 LEU CG . 10273 1 73 . 1 1 11 11 LEU N N 15 123.872 0.300 . 1 . . . . 11 LEU N . 10273 1 74 . 1 1 12 12 VAL H H 1 8.956 0.030 . 1 . . . . 12 VAL H . 10273 1 75 . 1 1 12 12 VAL HA H 1 4.044 0.030 . 1 . . . . 12 VAL HA . 10273 1 76 . 1 1 12 12 VAL HB H 1 1.846 0.030 . 1 . . . . 12 VAL HB . 10273 1 77 . 1 1 12 12 VAL HG11 H 1 0.827 0.030 . 1 . . . . 12 VAL HG1 . 10273 1 78 . 1 1 12 12 VAL HG12 H 1 0.827 0.030 . 1 . . . . 12 VAL HG1 . 10273 1 79 . 1 1 12 12 VAL HG13 H 1 0.827 0.030 . 1 . . . . 12 VAL HG1 . 10273 1 80 . 1 1 12 12 VAL HG21 H 1 0.663 0.030 . 1 . . . . 12 VAL HG2 . 10273 1 81 . 1 1 12 12 VAL HG22 H 1 0.663 0.030 . 1 . . . . 12 VAL HG2 . 10273 1 82 . 1 1 12 12 VAL HG23 H 1 0.663 0.030 . 1 . . . . 12 VAL HG2 . 10273 1 83 . 1 1 12 12 VAL C C 13 171.356 0.300 . 1 . . . . 12 VAL C . 10273 1 84 . 1 1 12 12 VAL CA C 13 59.549 0.300 . 1 . . . . 12 VAL CA . 10273 1 85 . 1 1 12 12 VAL CB C 13 31.500 0.300 . 1 . . . . 12 VAL CB . 10273 1 86 . 1 1 12 12 VAL CG1 C 13 19.409 0.300 . 2 . . . . 12 VAL CG1 . 10273 1 87 . 1 1 12 12 VAL CG2 C 13 18.388 0.300 . 2 . . . . 12 VAL CG2 . 10273 1 88 . 1 1 12 12 VAL N N 15 122.036 0.300 . 1 . . . . 12 VAL N . 10273 1 89 . 1 1 13 13 ARG H H 1 9.211 0.030 . 1 . . . . 13 ARG H . 10273 1 90 . 1 1 13 13 ARG HA H 1 4.434 0.030 . 1 . . . . 13 ARG HA . 10273 1 91 . 1 1 13 13 ARG HB2 H 1 1.837 0.030 . 2 . . . . 13 ARG HB2 . 10273 1 92 . 1 1 13 13 ARG HB3 H 1 0.998 0.030 . 2 . . . . 13 ARG HB3 . 10273 1 93 . 1 1 13 13 ARG HD2 H 1 3.143 0.030 . 2 . . . . 13 ARG HD2 . 10273 1 94 . 1 1 13 13 ARG HD3 H 1 3.018 0.030 . 2 . . . . 13 ARG HD3 . 10273 1 95 . 1 1 13 13 ARG HE H 1 8.160 0.030 . 1 . . . . 13 ARG HE . 10273 1 96 . 1 1 13 13 ARG HG2 H 1 1.457 0.030 . 1 . . . . 13 ARG HG2 . 10273 1 97 . 1 1 13 13 ARG HG3 H 1 1.457 0.030 . 1 . . . . 13 ARG HG3 . 10273 1 98 . 1 1 13 13 ARG C C 13 171.964 0.300 . 1 . . . . 13 ARG C . 10273 1 99 . 1 1 13 13 ARG CA C 13 52.791 0.300 . 1 . . . . 13 ARG CA . 10273 1 100 . 1 1 13 13 ARG CB C 13 29.067 0.300 . 1 . . . . 13 ARG CB . 10273 1 101 . 1 1 13 13 ARG CD C 13 41.022 0.300 . 1 . . . . 13 ARG CD . 10273 1 102 . 1 1 13 13 ARG CG C 13 23.546 0.300 . 1 . . . . 13 ARG CG . 10273 1 103 . 1 1 13 13 ARG N N 15 125.178 0.300 . 1 . . . . 13 ARG N . 10273 1 104 . 1 1 13 13 ARG NE N 15 83.410 0.300 . 1 . . . . 13 ARG NE . 10273 1 105 . 1 1 14 14 ILE H H 1 8.811 0.030 . 1 . . . . 14 ILE H . 10273 1 106 . 1 1 14 14 ILE HA H 1 4.592 0.030 . 1 . . . . 14 ILE HA . 10273 1 107 . 1 1 14 14 ILE HB H 1 1.899 0.030 . 1 . . . . 14 ILE HB . 10273 1 108 . 1 1 14 14 ILE HD11 H 1 0.625 0.030 . 1 . . . . 14 ILE HD1 . 10273 1 109 . 1 1 14 14 ILE HD12 H 1 0.625 0.030 . 1 . . . . 14 ILE HD1 . 10273 1 110 . 1 1 14 14 ILE HD13 H 1 0.625 0.030 . 1 . . . . 14 ILE HD1 . 10273 1 111 . 1 1 14 14 ILE HG12 H 1 1.365 0.030 . 2 . . . . 14 ILE HG12 . 10273 1 112 . 1 1 14 14 ILE HG13 H 1 1.099 0.030 . 2 . . . . 14 ILE HG13 . 10273 1 113 . 1 1 14 14 ILE HG21 H 1 0.474 0.030 . 1 . . . . 14 ILE HG2 . 10273 1 114 . 1 1 14 14 ILE HG22 H 1 0.474 0.030 . 1 . . . . 14 ILE HG2 . 10273 1 115 . 1 1 14 14 ILE HG23 H 1 0.474 0.030 . 1 . . . . 14 ILE HG2 . 10273 1 116 . 1 1 14 14 ILE C C 13 173.197 0.300 . 1 . . . . 14 ILE C . 10273 1 117 . 1 1 14 14 ILE CA C 13 55.308 0.300 . 1 . . . . 14 ILE CA . 10273 1 118 . 1 1 14 14 ILE CB C 13 36.411 0.300 . 1 . . . . 14 ILE CB . 10273 1 119 . 1 1 14 14 ILE CD1 C 13 11.200 0.300 . 1 . . . . 14 ILE CD1 . 10273 1 120 . 1 1 14 14 ILE CG1 C 13 24.898 0.300 . 1 . . . . 14 ILE CG1 . 10273 1 121 . 1 1 14 14 ILE CG2 C 13 17.283 0.300 . 1 . . . . 14 ILE CG2 . 10273 1 122 . 1 1 14 14 ILE N N 15 122.061 0.300 . 1 . . . . 14 ILE N . 10273 1 123 . 1 1 15 15 TYR H H 1 8.781 0.030 . 1 . . . . 15 TYR H . 10273 1 124 . 1 1 15 15 TYR HA H 1 5.103 0.030 . 1 . . . . 15 TYR HA . 10273 1 125 . 1 1 15 15 TYR HB2 H 1 2.620 0.030 . 2 . . . . 15 TYR HB2 . 10273 1 126 . 1 1 15 15 TYR HB3 H 1 2.577 0.030 . 2 . . . . 15 TYR HB3 . 10273 1 127 . 1 1 15 15 TYR HD1 H 1 6.989 0.030 . 1 . . . . 15 TYR HD1 . 10273 1 128 . 1 1 15 15 TYR HD2 H 1 6.989 0.030 . 1 . . . . 15 TYR HD2 . 10273 1 129 . 1 1 15 15 TYR HE1 H 1 6.720 0.030 . 1 . . . . 15 TYR HE1 . 10273 1 130 . 1 1 15 15 TYR HE2 H 1 6.720 0.030 . 1 . . . . 15 TYR HE2 . 10273 1 131 . 1 1 15 15 TYR C C 13 172.764 0.300 . 1 . . . . 15 TYR C . 10273 1 132 . 1 1 15 15 TYR CA C 13 53.740 0.300 . 1 . . . . 15 TYR CA . 10273 1 133 . 1 1 15 15 TYR CB C 13 37.340 0.300 . 1 . . . . 15 TYR CB . 10273 1 134 . 1 1 15 15 TYR CD1 C 13 131.166 0.300 . 1 . . . . 15 TYR CD1 . 10273 1 135 . 1 1 15 15 TYR CD2 C 13 131.166 0.300 . 1 . . . . 15 TYR CD2 . 10273 1 136 . 1 1 15 15 TYR CE1 C 13 115.477 0.300 . 1 . . . . 15 TYR CE1 . 10273 1 137 . 1 1 15 15 TYR CE2 C 13 115.477 0.300 . 1 . . . . 15 TYR CE2 . 10273 1 138 . 1 1 15 15 TYR N N 15 125.241 0.300 . 1 . . . . 15 TYR N . 10273 1 139 . 1 1 16 16 THR H H 1 8.961 0.030 . 1 . . . . 16 THR H . 10273 1 140 . 1 1 16 16 THR HA H 1 4.806 0.030 . 1 . . . . 16 THR HA . 10273 1 141 . 1 1 16 16 THR HB H 1 4.133 0.030 . 1 . . . . 16 THR HB . 10273 1 142 . 1 1 16 16 THR HG21 H 1 1.266 0.030 . 1 . . . . 16 THR HG2 . 10273 1 143 . 1 1 16 16 THR HG22 H 1 1.266 0.030 . 1 . . . . 16 THR HG2 . 10273 1 144 . 1 1 16 16 THR HG23 H 1 1.266 0.030 . 1 . . . . 16 THR HG2 . 10273 1 145 . 1 1 16 16 THR C C 13 171.478 0.300 . 1 . . . . 16 THR C . 10273 1 146 . 1 1 16 16 THR CA C 13 59.180 0.300 . 1 . . . . 16 THR CA . 10273 1 147 . 1 1 16 16 THR CB C 13 68.174 0.300 . 1 . . . . 16 THR CB . 10273 1 148 . 1 1 16 16 THR CG2 C 13 19.794 0.300 . 1 . . . . 16 THR CG2 . 10273 1 149 . 1 1 16 16 THR N N 15 116.007 0.300 . 1 . . . . 16 THR N . 10273 1 150 . 1 1 17 17 LYS H H 1 8.397 0.030 . 1 . . . . 17 LYS H . 10273 1 151 . 1 1 17 17 LYS HA H 1 4.446 0.030 . 1 . . . . 17 LYS HA . 10273 1 152 . 1 1 17 17 LYS HB2 H 1 1.456 0.030 . 2 . . . . 17 LYS HB2 . 10273 1 153 . 1 1 17 17 LYS HB3 H 1 0.938 0.030 . 2 . . . . 17 LYS HB3 . 10273 1 154 . 1 1 17 17 LYS HD2 H 1 0.851 0.030 . 2 . . . . 17 LYS HD2 . 10273 1 155 . 1 1 17 17 LYS HD3 H 1 0.628 0.030 . 2 . . . . 17 LYS HD3 . 10273 1 156 . 1 1 17 17 LYS HE2 H 1 2.390 0.030 . 1 . . . . 17 LYS HE2 . 10273 1 157 . 1 1 17 17 LYS HE3 H 1 2.390 0.030 . 1 . . . . 17 LYS HE3 . 10273 1 158 . 1 1 17 17 LYS HG2 H 1 0.952 0.030 . 2 . . . . 17 LYS HG2 . 10273 1 159 . 1 1 17 17 LYS HG3 H 1 0.667 0.030 . 2 . . . . 17 LYS HG3 . 10273 1 160 . 1 1 17 17 LYS C C 13 170.870 0.300 . 1 . . . . 17 LYS C . 10273 1 161 . 1 1 17 17 LYS CA C 13 50.238 0.300 . 1 . . . . 17 LYS CA . 10273 1 162 . 1 1 17 17 LYS CB C 13 32.677 0.300 . 1 . . . . 17 LYS CB . 10273 1 163 . 1 1 17 17 LYS CD C 13 26.805 0.300 . 1 . . . . 17 LYS CD . 10273 1 164 . 1 1 17 17 LYS CE C 13 40.238 0.300 . 1 . . . . 17 LYS CE . 10273 1 165 . 1 1 17 17 LYS CG C 13 21.966 0.300 . 1 . . . . 17 LYS CG . 10273 1 166 . 1 1 17 17 LYS N N 15 125.122 0.300 . 1 . . . . 17 LYS N . 10273 1 167 . 1 1 18 18 PRO HA H 1 4.474 0.030 . 1 . . . . 18 PRO HA . 10273 1 168 . 1 1 18 18 PRO HB2 H 1 2.284 0.030 . 2 . . . . 18 PRO HB2 . 10273 1 169 . 1 1 18 18 PRO HB3 H 1 1.458 0.030 . 2 . . . . 18 PRO HB3 . 10273 1 170 . 1 1 18 18 PRO HD2 H 1 3.768 0.030 . 2 . . . . 18 PRO HD2 . 10273 1 171 . 1 1 18 18 PRO HD3 H 1 3.207 0.030 . 2 . . . . 18 PRO HD3 . 10273 1 172 . 1 1 18 18 PRO HG2 H 1 1.813 0.030 . 1 . . . . 18 PRO HG2 . 10273 1 173 . 1 1 18 18 PRO HG3 H 1 1.813 0.030 . 1 . . . . 18 PRO HG3 . 10273 1 174 . 1 1 18 18 PRO C C 13 174.170 0.300 . 1 . . . . 18 PRO C . 10273 1 175 . 1 1 18 18 PRO CA C 13 59.250 0.300 . 1 . . . . 18 PRO CA . 10273 1 176 . 1 1 18 18 PRO CB C 13 29.517 0.300 . 1 . . . . 18 PRO CB . 10273 1 177 . 1 1 18 18 PRO CD C 13 48.757 0.300 . 1 . . . . 18 PRO CD . 10273 1 178 . 1 1 18 18 PRO CG C 13 25.112 0.300 . 1 . . . . 18 PRO CG . 10273 1 179 . 1 1 19 19 LYS H H 1 8.467 0.030 . 1 . . . . 19 LYS H . 10273 1 180 . 1 1 19 19 LYS HA H 1 3.887 0.030 . 1 . . . . 19 LYS HA . 10273 1 181 . 1 1 19 19 LYS HB2 H 1 1.689 0.030 . 2 . . . . 19 LYS HB2 . 10273 1 182 . 1 1 19 19 LYS HB3 H 1 1.644 0.030 . 2 . . . . 19 LYS HB3 . 10273 1 183 . 1 1 19 19 LYS HD2 H 1 1.555 0.030 . 2 . . . . 19 LYS HD2 . 10273 1 184 . 1 1 19 19 LYS HE2 H 1 2.877 0.030 . 2 . . . . 19 LYS HE2 . 10273 1 185 . 1 1 19 19 LYS HG2 H 1 1.348 0.030 . 2 . . . . 19 LYS HG2 . 10273 1 186 . 1 1 19 19 LYS HG3 H 1 1.204 0.030 . 2 . . . . 19 LYS HG3 . 10273 1 187 . 1 1 19 19 LYS C C 13 175.944 0.300 . 1 . . . . 19 LYS C . 10273 1 188 . 1 1 19 19 LYS CA C 13 55.732 0.300 . 1 . . . . 19 LYS CA . 10273 1 189 . 1 1 19 19 LYS CB C 13 29.818 0.300 . 1 . . . . 19 LYS CB . 10273 1 190 . 1 1 19 19 LYS CD C 13 27.191 0.300 . 1 . . . . 19 LYS CD . 10273 1 191 . 1 1 19 19 LYS CE C 13 39.788 0.300 . 1 . . . . 19 LYS CE . 10273 1 192 . 1 1 19 19 LYS CG C 13 22.241 0.300 . 1 . . . . 19 LYS CG . 10273 1 193 . 1 1 19 19 LYS N N 15 121.921 0.300 . 1 . . . . 19 LYS N . 10273 1 194 . 1 1 20 20 GLY HA2 H 1 3.958 0.030 . 2 . . . . 20 GLY HA2 . 10273 1 195 . 1 1 20 20 GLY HA3 H 1 3.676 0.030 . 2 . . . . 20 GLY HA3 . 10273 1 196 . 1 1 20 20 GLY C C 13 171.329 0.300 . 1 . . . . 20 GLY C . 10273 1 197 . 1 1 20 20 GLY CA C 13 43.304 0.300 . 1 . . . . 20 GLY CA . 10273 1 198 . 1 1 21 21 GLN H H 1 7.553 0.030 . 1 . . . . 21 GLN H . 10273 1 199 . 1 1 21 21 GLN HA H 1 4.581 0.030 . 1 . . . . 21 GLN HA . 10273 1 200 . 1 1 21 21 GLN HB2 H 1 2.171 0.030 . 2 . . . . 21 GLN HB2 . 10273 1 201 . 1 1 21 21 GLN HB3 H 1 1.442 0.030 . 2 . . . . 21 GLN HB3 . 10273 1 202 . 1 1 21 21 GLN HE21 H 1 7.438 0.030 . 2 . . . . 21 GLN HE21 . 10273 1 203 . 1 1 21 21 GLN HE22 H 1 6.766 0.030 . 2 . . . . 21 GLN HE22 . 10273 1 204 . 1 1 21 21 GLN HG2 H 1 2.173 0.030 . 1 . . . . 21 GLN HG2 . 10273 1 205 . 1 1 21 21 GLN HG3 H 1 2.173 0.030 . 1 . . . . 21 GLN HG3 . 10273 1 206 . 1 1 21 21 GLN C C 13 172.091 0.300 . 1 . . . . 21 GLN C . 10273 1 207 . 1 1 21 21 GLN CA C 13 51.330 0.300 . 1 . . . . 21 GLN CA . 10273 1 208 . 1 1 21 21 GLN CB C 13 29.767 0.300 . 1 . . . . 21 GLN CB . 10273 1 209 . 1 1 21 21 GLN CG C 13 30.998 0.300 . 1 . . . . 21 GLN CG . 10273 1 210 . 1 1 21 21 GLN N N 15 117.269 0.300 . 1 . . . . 21 GLN N . 10273 1 211 . 1 1 21 21 GLN NE2 N 15 111.896 0.300 . 1 . . . . 21 GLN NE2 . 10273 1 212 . 1 1 22 22 LEU H H 1 8.048 0.030 . 1 . . . . 22 LEU H . 10273 1 213 . 1 1 22 22 LEU HA H 1 4.292 0.030 . 1 . . . . 22 LEU HA . 10273 1 214 . 1 1 22 22 LEU HB2 H 1 1.456 0.030 . 2 . . . . 22 LEU HB2 . 10273 1 215 . 1 1 22 22 LEU HB3 H 1 1.380 0.030 . 2 . . . . 22 LEU HB3 . 10273 1 216 . 1 1 22 22 LEU HD11 H 1 0.833 0.030 . 1 . . . . 22 LEU HD1 . 10273 1 217 . 1 1 22 22 LEU HD12 H 1 0.833 0.030 . 1 . . . . 22 LEU HD1 . 10273 1 218 . 1 1 22 22 LEU HD13 H 1 0.833 0.030 . 1 . . . . 22 LEU HD1 . 10273 1 219 . 1 1 22 22 LEU HD21 H 1 0.756 0.030 . 1 . . . . 22 LEU HD2 . 10273 1 220 . 1 1 22 22 LEU HD22 H 1 0.756 0.030 . 1 . . . . 22 LEU HD2 . 10273 1 221 . 1 1 22 22 LEU HD23 H 1 0.756 0.030 . 1 . . . . 22 LEU HD2 . 10273 1 222 . 1 1 22 22 LEU HG H 1 1.606 0.030 . 1 . . . . 22 LEU HG . 10273 1 223 . 1 1 22 22 LEU C C 13 171.986 0.300 . 1 . . . . 22 LEU C . 10273 1 224 . 1 1 22 22 LEU CA C 13 50.950 0.300 . 1 . . . . 22 LEU CA . 10273 1 225 . 1 1 22 22 LEU CB C 13 38.362 0.300 . 1 . . . . 22 LEU CB . 10273 1 226 . 1 1 22 22 LEU CD1 C 13 22.889 0.300 . 2 . . . . 22 LEU CD1 . 10273 1 227 . 1 1 22 22 LEU CD2 C 13 20.304 0.300 . 2 . . . . 22 LEU CD2 . 10273 1 228 . 1 1 22 22 LEU CG C 13 24.811 0.300 . 1 . . . . 22 LEU CG . 10273 1 229 . 1 1 22 22 LEU N N 15 119.689 0.300 . 1 . . . . 22 LEU N . 10273 1 230 . 1 1 23 23 PRO HA H 1 4.196 0.030 . 1 . . . . 23 PRO HA . 10273 1 231 . 1 1 23 23 PRO HB2 H 1 1.444 0.030 . 2 . . . . 23 PRO HB2 . 10273 1 232 . 1 1 23 23 PRO HB3 H 1 0.481 0.030 . 2 . . . . 23 PRO HB3 . 10273 1 233 . 1 1 23 23 PRO HD2 H 1 3.457 0.030 . 2 . . . . 23 PRO HD2 . 10273 1 234 . 1 1 23 23 PRO HD3 H 1 3.204 0.030 . 2 . . . . 23 PRO HD3 . 10273 1 235 . 1 1 23 23 PRO HG2 H 1 1.689 0.030 . 2 . . . . 23 PRO HG2 . 10273 1 236 . 1 1 23 23 PRO HG3 H 1 1.228 0.030 . 2 . . . . 23 PRO HG3 . 10273 1 237 . 1 1 23 23 PRO C C 13 172.331 0.300 . 1 . . . . 23 PRO C . 10273 1 238 . 1 1 23 23 PRO CA C 13 59.882 0.300 . 1 . . . . 23 PRO CA . 10273 1 239 . 1 1 23 23 PRO CB C 13 28.948 0.300 . 1 . . . . 23 PRO CB . 10273 1 240 . 1 1 23 23 PRO CD C 13 47.917 0.300 . 1 . . . . 23 PRO CD . 10273 1 241 . 1 1 23 23 PRO CG C 13 26.018 0.300 . 1 . . . . 23 PRO CG . 10273 1 242 . 1 1 24 24 ASP H H 1 8.191 0.030 . 1 . . . . 24 ASP H . 10273 1 243 . 1 1 24 24 ASP HA H 1 4.649 0.030 . 1 . . . . 24 ASP HA . 10273 1 244 . 1 1 24 24 ASP HB2 H 1 2.902 0.030 . 2 . . . . 24 ASP HB2 . 10273 1 245 . 1 1 24 24 ASP HB3 H 1 2.488 0.030 . 2 . . . . 24 ASP HB3 . 10273 1 246 . 1 1 24 24 ASP C C 13 175.312 0.300 . 1 . . . . 24 ASP C . 10273 1 247 . 1 1 24 24 ASP CA C 13 49.710 0.300 . 1 . . . . 24 ASP CA . 10273 1 248 . 1 1 24 24 ASP CB C 13 37.229 0.300 . 1 . . . . 24 ASP CB . 10273 1 249 . 1 1 24 24 ASP N N 15 118.307 0.300 . 1 . . . . 24 ASP N . 10273 1 250 . 1 1 25 25 TYR H H 1 8.171 0.030 . 1 . . . . 25 TYR H . 10273 1 251 . 1 1 25 25 TYR HA H 1 4.173 0.030 . 1 . . . . 25 TYR HA . 10273 1 252 . 1 1 25 25 TYR HB2 H 1 2.891 0.030 . 2 . . . . 25 TYR HB2 . 10273 1 253 . 1 1 25 25 TYR HB3 H 1 2.443 0.030 . 2 . . . . 25 TYR HB3 . 10273 1 254 . 1 1 25 25 TYR HD1 H 1 6.083 0.030 . 1 . . . . 25 TYR HD1 . 10273 1 255 . 1 1 25 25 TYR HD2 H 1 6.083 0.030 . 1 . . . . 25 TYR HD2 . 10273 1 256 . 1 1 25 25 TYR HE1 H 1 6.315 0.030 . 1 . . . . 25 TYR HE1 . 10273 1 257 . 1 1 25 25 TYR HE2 H 1 6.315 0.030 . 1 . . . . 25 TYR HE2 . 10273 1 258 . 1 1 25 25 TYR C C 13 173.720 0.300 . 1 . . . . 25 TYR C . 10273 1 259 . 1 1 25 25 TYR CA C 13 57.297 0.300 . 1 . . . . 25 TYR CA . 10273 1 260 . 1 1 25 25 TYR CB C 13 34.897 0.300 . 1 . . . . 25 TYR CB . 10273 1 261 . 1 1 25 25 TYR CD1 C 13 130.305 0.300 . 1 . . . . 25 TYR CD1 . 10273 1 262 . 1 1 25 25 TYR CD2 C 13 130.305 0.300 . 1 . . . . 25 TYR CD2 . 10273 1 263 . 1 1 25 25 TYR CE1 C 13 115.308 0.300 . 1 . . . . 25 TYR CE1 . 10273 1 264 . 1 1 25 25 TYR CE2 C 13 115.308 0.300 . 1 . . . . 25 TYR CE2 . 10273 1 265 . 1 1 25 25 TYR N N 15 123.576 0.300 . 1 . . . . 25 TYR N . 10273 1 266 . 1 1 26 26 THR H H 1 8.278 0.030 . 1 . . . . 26 THR H . 10273 1 267 . 1 1 26 26 THR HA H 1 4.343 0.030 . 1 . . . . 26 THR HA . 10273 1 268 . 1 1 26 26 THR HB H 1 4.299 0.030 . 1 . . . . 26 THR HB . 10273 1 269 . 1 1 26 26 THR HG21 H 1 1.195 0.030 . 1 . . . . 26 THR HG2 . 10273 1 270 . 1 1 26 26 THR HG22 H 1 1.195 0.030 . 1 . . . . 26 THR HG2 . 10273 1 271 . 1 1 26 26 THR HG23 H 1 1.195 0.030 . 1 . . . . 26 THR HG2 . 10273 1 272 . 1 1 26 26 THR C C 13 173.145 0.300 . 1 . . . . 26 THR C . 10273 1 273 . 1 1 26 26 THR CA C 13 60.799 0.300 . 1 . . . . 26 THR CA . 10273 1 274 . 1 1 26 26 THR CB C 13 67.379 0.300 . 1 . . . . 26 THR CB . 10273 1 275 . 1 1 26 26 THR CG2 C 13 19.392 0.300 . 1 . . . . 26 THR CG2 . 10273 1 276 . 1 1 26 26 THR N N 15 109.145 0.300 . 1 . . . . 26 THR N . 10273 1 277 . 1 1 27 27 SER H H 1 7.085 0.030 . 1 . . . . 27 SER H . 10273 1 278 . 1 1 27 27 SER HA H 1 5.002 0.030 . 1 . . . . 27 SER HA . 10273 1 279 . 1 1 27 27 SER HB2 H 1 3.802 0.030 . 2 . . . . 27 SER HB2 . 10273 1 280 . 1 1 27 27 SER HB3 H 1 3.591 0.030 . 2 . . . . 27 SER HB3 . 10273 1 281 . 1 1 27 27 SER C C 13 169.729 0.300 . 1 . . . . 27 SER C . 10273 1 282 . 1 1 27 27 SER CA C 13 52.526 0.300 . 1 . . . . 27 SER CA . 10273 1 283 . 1 1 27 27 SER CB C 13 61.215 0.300 . 1 . . . . 27 SER CB . 10273 1 284 . 1 1 27 27 SER N N 15 114.134 0.300 . 1 . . . . 27 SER N . 10273 1 285 . 1 1 28 28 PRO HA H 1 4.553 0.030 . 1 . . . . 28 PRO HA . 10273 1 286 . 1 1 28 28 PRO HB2 H 1 1.790 0.030 . 2 . . . . 28 PRO HB2 . 10273 1 287 . 1 1 28 28 PRO HB3 H 1 1.320 0.030 . 2 . . . . 28 PRO HB3 . 10273 1 288 . 1 1 28 28 PRO HD2 H 1 3.716 0.030 . 2 . . . . 28 PRO HD2 . 10273 1 289 . 1 1 28 28 PRO HD3 H 1 3.444 0.030 . 2 . . . . 28 PRO HD3 . 10273 1 290 . 1 1 28 28 PRO HG2 H 1 1.897 0.030 . 2 . . . . 28 PRO HG2 . 10273 1 291 . 1 1 28 28 PRO HG3 H 1 1.816 0.030 . 2 . . . . 28 PRO HG3 . 10273 1 292 . 1 1 28 28 PRO C C 13 174.448 0.300 . 1 . . . . 28 PRO C . 10273 1 293 . 1 1 28 28 PRO CA C 13 60.482 0.300 . 1 . . . . 28 PRO CA . 10273 1 294 . 1 1 28 28 PRO CB C 13 29.224 0.300 . 1 . . . . 28 PRO CB . 10273 1 295 . 1 1 28 28 PRO CD C 13 48.193 0.300 . 1 . . . . 28 PRO CD . 10273 1 296 . 1 1 28 28 PRO CG C 13 23.843 0.300 . 1 . . . . 28 PRO CG . 10273 1 297 . 1 1 29 29 VAL H H 1 9.191 0.030 . 1 . . . . 29 VAL H . 10273 1 298 . 1 1 29 29 VAL HA H 1 3.946 0.030 . 1 . . . . 29 VAL HA . 10273 1 299 . 1 1 29 29 VAL HB H 1 1.999 0.030 . 1 . . . . 29 VAL HB . 10273 1 300 . 1 1 29 29 VAL HG11 H 1 0.869 0.030 . 1 . . . . 29 VAL HG1 . 10273 1 301 . 1 1 29 29 VAL HG12 H 1 0.869 0.030 . 1 . . . . 29 VAL HG1 . 10273 1 302 . 1 1 29 29 VAL HG13 H 1 0.869 0.030 . 1 . . . . 29 VAL HG1 . 10273 1 303 . 1 1 29 29 VAL HG21 H 1 0.638 0.030 . 1 . . . . 29 VAL HG2 . 10273 1 304 . 1 1 29 29 VAL HG22 H 1 0.638 0.030 . 1 . . . . 29 VAL HG2 . 10273 1 305 . 1 1 29 29 VAL HG23 H 1 0.638 0.030 . 1 . . . . 29 VAL HG2 . 10273 1 306 . 1 1 29 29 VAL C C 13 172.641 0.300 . 1 . . . . 29 VAL C . 10273 1 307 . 1 1 29 29 VAL CA C 13 60.367 0.300 . 1 . . . . 29 VAL CA . 10273 1 308 . 1 1 29 29 VAL CB C 13 30.546 0.300 . 1 . . . . 29 VAL CB . 10273 1 309 . 1 1 29 29 VAL CG1 C 13 19.183 0.300 . 2 . . . . 29 VAL CG1 . 10273 1 310 . 1 1 29 29 VAL CG2 C 13 18.597 0.300 . 2 . . . . 29 VAL CG2 . 10273 1 311 . 1 1 29 29 VAL N N 15 123.735 0.300 . 1 . . . . 29 VAL N . 10273 1 312 . 1 1 30 30 VAL H H 1 8.169 0.030 . 1 . . . . 30 VAL H . 10273 1 313 . 1 1 30 30 VAL HA H 1 4.940 0.030 . 1 . . . . 30 VAL HA . 10273 1 314 . 1 1 30 30 VAL HB H 1 1.765 0.030 . 1 . . . . 30 VAL HB . 10273 1 315 . 1 1 30 30 VAL HG11 H 1 0.716 0.030 . 1 . . . . 30 VAL HG1 . 10273 1 316 . 1 1 30 30 VAL HG12 H 1 0.716 0.030 . 1 . . . . 30 VAL HG1 . 10273 1 317 . 1 1 30 30 VAL HG13 H 1 0.716 0.030 . 1 . . . . 30 VAL HG1 . 10273 1 318 . 1 1 30 30 VAL HG21 H 1 0.743 0.030 . 1 . . . . 30 VAL HG2 . 10273 1 319 . 1 1 30 30 VAL HG22 H 1 0.743 0.030 . 1 . . . . 30 VAL HG2 . 10273 1 320 . 1 1 30 30 VAL HG23 H 1 0.743 0.030 . 1 . . . . 30 VAL HG2 . 10273 1 321 . 1 1 30 30 VAL C C 13 173.560 0.300 . 1 . . . . 30 VAL C . 10273 1 322 . 1 1 30 30 VAL CA C 13 58.568 0.300 . 1 . . . . 30 VAL CA . 10273 1 323 . 1 1 30 30 VAL CB C 13 30.303 0.300 . 1 . . . . 30 VAL CB . 10273 1 324 . 1 1 30 30 VAL CG1 C 13 20.521 0.300 . 2 . . . . 30 VAL CG1 . 10273 1 325 . 1 1 30 30 VAL CG2 C 13 18.408 0.300 . 2 . . . . 30 VAL CG2 . 10273 1 326 . 1 1 30 30 VAL N N 15 125.255 0.300 . 1 . . . . 30 VAL N . 10273 1 327 . 1 1 31 31 LEU H H 1 8.889 0.030 . 1 . . . . 31 LEU H . 10273 1 328 . 1 1 31 31 LEU HA H 1 4.816 0.030 . 1 . . . . 31 LEU HA . 10273 1 329 . 1 1 31 31 LEU HB2 H 1 1.605 0.030 . 2 . . . . 31 LEU HB2 . 10273 1 330 . 1 1 31 31 LEU HB3 H 1 1.263 0.030 . 2 . . . . 31 LEU HB3 . 10273 1 331 . 1 1 31 31 LEU HD11 H 1 0.793 0.030 . 1 . . . . 31 LEU HD1 . 10273 1 332 . 1 1 31 31 LEU HD12 H 1 0.793 0.030 . 1 . . . . 31 LEU HD1 . 10273 1 333 . 1 1 31 31 LEU HD13 H 1 0.793 0.030 . 1 . . . . 31 LEU HD1 . 10273 1 334 . 1 1 31 31 LEU HD21 H 1 0.772 0.030 . 1 . . . . 31 LEU HD2 . 10273 1 335 . 1 1 31 31 LEU HD22 H 1 0.772 0.030 . 1 . . . . 31 LEU HD2 . 10273 1 336 . 1 1 31 31 LEU HD23 H 1 0.772 0.030 . 1 . . . . 31 LEU HD2 . 10273 1 337 . 1 1 31 31 LEU HG H 1 1.496 0.030 . 1 . . . . 31 LEU HG . 10273 1 338 . 1 1 31 31 LEU C C 13 171.113 0.300 . 1 . . . . 31 LEU C . 10273 1 339 . 1 1 31 31 LEU CA C 13 48.760 0.300 . 1 . . . . 31 LEU CA . 10273 1 340 . 1 1 31 31 LEU CB C 13 40.938 0.300 . 1 . . . . 31 LEU CB . 10273 1 341 . 1 1 31 31 LEU CD1 C 13 24.110 0.300 . 2 . . . . 31 LEU CD1 . 10273 1 342 . 1 1 31 31 LEU CD2 C 13 20.980 0.300 . 2 . . . . 31 LEU CD2 . 10273 1 343 . 1 1 31 31 LEU CG C 13 24.454 0.300 . 1 . . . . 31 LEU CG . 10273 1 344 . 1 1 31 31 LEU N N 15 127.017 0.300 . 1 . . . . 31 LEU N . 10273 1 345 . 1 1 32 32 PRO HA H 1 4.531 0.030 . 1 . . . . 32 PRO HA . 10273 1 346 . 1 1 32 32 PRO HB2 H 1 2.073 0.030 . 2 . . . . 32 PRO HB2 . 10273 1 347 . 1 1 32 32 PRO HB3 H 1 1.713 0.030 . 2 . . . . 32 PRO HB3 . 10273 1 348 . 1 1 32 32 PRO HD2 H 1 3.637 0.030 . 1 . . . . 32 PRO HD2 . 10273 1 349 . 1 1 32 32 PRO HD3 H 1 3.637 0.030 . 1 . . . . 32 PRO HD3 . 10273 1 350 . 1 1 32 32 PRO HG2 H 1 1.937 0.030 . 2 . . . . 32 PRO HG2 . 10273 1 351 . 1 1 32 32 PRO HG3 H 1 1.879 0.030 . 2 . . . . 32 PRO HG3 . 10273 1 352 . 1 1 32 32 PRO C C 13 174.294 0.300 . 1 . . . . 32 PRO C . 10273 1 353 . 1 1 32 32 PRO CA C 13 59.648 0.300 . 1 . . . . 32 PRO CA . 10273 1 354 . 1 1 32 32 PRO CB C 13 29.349 0.300 . 1 . . . . 32 PRO CB . 10273 1 355 . 1 1 32 32 PRO CD C 13 47.521 0.300 . 1 . . . . 32 PRO CD . 10273 1 356 . 1 1 32 32 PRO CG C 13 25.073 0.300 . 1 . . . . 32 PRO CG . 10273 1 357 . 1 1 33 33 TYR H H 1 8.105 0.030 . 1 . . . . 33 TYR H . 10273 1 358 . 1 1 33 33 TYR HA H 1 3.788 0.030 . 1 . . . . 33 TYR HA . 10273 1 359 . 1 1 33 33 TYR HB2 H 1 2.840 0.030 . 2 . . . . 33 TYR HB2 . 10273 1 360 . 1 1 33 33 TYR HB3 H 1 2.722 0.030 . 2 . . . . 33 TYR HB3 . 10273 1 361 . 1 1 33 33 TYR HD1 H 1 6.929 0.030 . 1 . . . . 33 TYR HD1 . 10273 1 362 . 1 1 33 33 TYR HD2 H 1 6.929 0.030 . 1 . . . . 33 TYR HD2 . 10273 1 363 . 1 1 33 33 TYR HE1 H 1 6.678 0.030 . 1 . . . . 33 TYR HE1 . 10273 1 364 . 1 1 33 33 TYR HE2 H 1 6.678 0.030 . 1 . . . . 33 TYR HE2 . 10273 1 365 . 1 1 33 33 TYR C C 13 173.470 0.300 . 1 . . . . 33 TYR C . 10273 1 366 . 1 1 33 33 TYR CA C 13 58.159 0.300 . 1 . . . . 33 TYR CA . 10273 1 367 . 1 1 33 33 TYR CB C 13 36.244 0.300 . 1 . . . . 33 TYR CB . 10273 1 368 . 1 1 33 33 TYR CD1 C 13 130.955 0.300 . 1 . . . . 33 TYR CD1 . 10273 1 369 . 1 1 33 33 TYR CD2 C 13 130.955 0.300 . 1 . . . . 33 TYR CD2 . 10273 1 370 . 1 1 33 33 TYR CE1 C 13 115.828 0.300 . 1 . . . . 33 TYR CE1 . 10273 1 371 . 1 1 33 33 TYR CE2 C 13 115.828 0.300 . 1 . . . . 33 TYR CE2 . 10273 1 372 . 1 1 33 33 TYR N N 15 120.060 0.300 . 1 . . . . 33 TYR N . 10273 1 373 . 1 1 34 34 SER H H 1 7.868 0.030 . 1 . . . . 34 SER H . 10273 1 374 . 1 1 34 34 SER HA H 1 3.814 0.030 . 1 . . . . 34 SER HA . 10273 1 375 . 1 1 34 34 SER HB2 H 1 3.884 0.030 . 2 . . . . 34 SER HB2 . 10273 1 376 . 1 1 34 34 SER HB3 H 1 3.565 0.030 . 2 . . . . 34 SER HB3 . 10273 1 377 . 1 1 34 34 SER C C 13 171.946 0.300 . 1 . . . . 34 SER C . 10273 1 378 . 1 1 34 34 SER CA C 13 58.212 0.300 . 1 . . . . 34 SER CA . 10273 1 379 . 1 1 34 34 SER CB C 13 60.928 0.300 . 1 . . . . 34 SER CB . 10273 1 380 . 1 1 34 34 SER N N 15 116.733 0.300 . 1 . . . . 34 SER N . 10273 1 381 . 1 1 35 35 ARG H H 1 7.883 0.030 . 1 . . . . 35 ARG H . 10273 1 382 . 1 1 35 35 ARG HA H 1 4.575 0.030 . 1 . . . . 35 ARG HA . 10273 1 383 . 1 1 35 35 ARG HB2 H 1 1.635 0.030 . 2 . . . . 35 ARG HB2 . 10273 1 384 . 1 1 35 35 ARG HB3 H 1 1.453 0.030 . 2 . . . . 35 ARG HB3 . 10273 1 385 . 1 1 35 35 ARG HD2 H 1 3.084 0.030 . 1 . . . . 35 ARG HD2 . 10273 1 386 . 1 1 35 35 ARG HD3 H 1 3.084 0.030 . 1 . . . . 35 ARG HD3 . 10273 1 387 . 1 1 35 35 ARG HG2 H 1 1.446 0.030 . 2 . . . . 35 ARG HG2 . 10273 1 388 . 1 1 35 35 ARG HG3 H 1 1.380 0.030 . 2 . . . . 35 ARG HG3 . 10273 1 389 . 1 1 35 35 ARG C C 13 172.091 0.300 . 1 . . . . 35 ARG C . 10273 1 390 . 1 1 35 35 ARG CA C 13 52.067 0.300 . 1 . . . . 35 ARG CA . 10273 1 391 . 1 1 35 35 ARG CB C 13 28.228 0.300 . 1 . . . . 35 ARG CB . 10273 1 392 . 1 1 35 35 ARG CD C 13 40.913 0.300 . 1 . . . . 35 ARG CD . 10273 1 393 . 1 1 35 35 ARG CG C 13 23.876 0.300 . 1 . . . . 35 ARG CG . 10273 1 394 . 1 1 35 35 ARG N N 15 125.492 0.300 . 1 . . . . 35 ARG N . 10273 1 395 . 1 1 36 36 THR H H 1 7.874 0.030 . 1 . . . . 36 THR H . 10273 1 396 . 1 1 36 36 THR HA H 1 4.613 0.030 . 1 . . . . 36 THR HA . 10273 1 397 . 1 1 36 36 THR HB H 1 4.276 0.030 . 1 . . . . 36 THR HB . 10273 1 398 . 1 1 36 36 THR HG21 H 1 0.846 0.030 . 1 . . . . 36 THR HG2 . 10273 1 399 . 1 1 36 36 THR HG22 H 1 0.846 0.030 . 1 . . . . 36 THR HG2 . 10273 1 400 . 1 1 36 36 THR HG23 H 1 0.846 0.030 . 1 . . . . 36 THR HG2 . 10273 1 401 . 1 1 36 36 THR C C 13 173.095 0.300 . 1 . . . . 36 THR C . 10273 1 402 . 1 1 36 36 THR CA C 13 57.029 0.300 . 1 . . . . 36 THR CA . 10273 1 403 . 1 1 36 36 THR CB C 13 66.113 0.300 . 1 . . . . 36 THR CB . 10273 1 404 . 1 1 36 36 THR CG2 C 13 20.078 0.300 . 1 . . . . 36 THR CG2 . 10273 1 405 . 1 1 36 36 THR N N 15 107.510 0.300 . 1 . . . . 36 THR N . 10273 1 406 . 1 1 37 37 THR H H 1 8.804 0.030 . 1 . . . . 37 THR H . 10273 1 407 . 1 1 37 37 THR HA H 1 5.288 0.030 . 1 . . . . 37 THR HA . 10273 1 408 . 1 1 37 37 THR HB H 1 4.455 0.030 . 1 . . . . 37 THR HB . 10273 1 409 . 1 1 37 37 THR HG21 H 1 1.138 0.030 . 1 . . . . 37 THR HG2 . 10273 1 410 . 1 1 37 37 THR HG22 H 1 1.138 0.030 . 1 . . . . 37 THR HG2 . 10273 1 411 . 1 1 37 37 THR HG23 H 1 1.138 0.030 . 1 . . . . 37 THR HG2 . 10273 1 412 . 1 1 37 37 THR C C 13 174.234 0.300 . 1 . . . . 37 THR C . 10273 1 413 . 1 1 37 37 THR CA C 13 59.681 0.300 . 1 . . . . 37 THR CA . 10273 1 414 . 1 1 37 37 THR CB C 13 70.032 0.300 . 1 . . . . 37 THR CB . 10273 1 415 . 1 1 37 37 THR CG2 C 13 19.921 0.300 . 1 . . . . 37 THR CG2 . 10273 1 416 . 1 1 37 37 THR N N 15 112.714 0.300 . 1 . . . . 37 THR N . 10273 1 417 . 1 1 38 38 VAL H H 1 8.269 0.030 . 1 . . . . 38 VAL H . 10273 1 418 . 1 1 38 38 VAL HA H 1 3.485 0.030 . 1 . . . . 38 VAL HA . 10273 1 419 . 1 1 38 38 VAL HB H 1 2.222 0.030 . 1 . . . . 38 VAL HB . 10273 1 420 . 1 1 38 38 VAL HG11 H 1 1.016 0.030 . 1 . . . . 38 VAL HG1 . 10273 1 421 . 1 1 38 38 VAL HG12 H 1 1.016 0.030 . 1 . . . . 38 VAL HG1 . 10273 1 422 . 1 1 38 38 VAL HG13 H 1 1.016 0.030 . 1 . . . . 38 VAL HG1 . 10273 1 423 . 1 1 38 38 VAL HG21 H 1 0.533 0.030 . 1 . . . . 38 VAL HG2 . 10273 1 424 . 1 1 38 38 VAL HG22 H 1 0.533 0.030 . 1 . . . . 38 VAL HG2 . 10273 1 425 . 1 1 38 38 VAL HG23 H 1 0.533 0.030 . 1 . . . . 38 VAL HG2 . 10273 1 426 . 1 1 38 38 VAL C C 13 175.909 0.300 . 1 . . . . 38 VAL C . 10273 1 427 . 1 1 38 38 VAL CA C 13 64.496 0.300 . 1 . . . . 38 VAL CA . 10273 1 428 . 1 1 38 38 VAL CB C 13 29.015 0.300 . 1 . . . . 38 VAL CB . 10273 1 429 . 1 1 38 38 VAL CG1 C 13 21.734 0.300 . 2 . . . . 38 VAL CG1 . 10273 1 430 . 1 1 38 38 VAL CG2 C 13 20.737 0.300 . 2 . . . . 38 VAL CG2 . 10273 1 431 . 1 1 38 38 VAL N N 15 121.372 0.300 . 1 . . . . 38 VAL N . 10273 1 432 . 1 1 39 39 GLU H H 1 8.597 0.030 . 1 . . . . 39 GLU H . 10273 1 433 . 1 1 39 39 GLU HA H 1 3.495 0.030 . 1 . . . . 39 GLU HA . 10273 1 434 . 1 1 39 39 GLU HB2 H 1 1.810 0.030 . 2 . . . . 39 GLU HB2 . 10273 1 435 . 1 1 39 39 GLU HB3 H 1 1.736 0.030 . 2 . . . . 39 GLU HB3 . 10273 1 436 . 1 1 39 39 GLU HG2 H 1 1.995 0.030 . 2 . . . . 39 GLU HG2 . 10273 1 437 . 1 1 39 39 GLU HG3 H 1 1.817 0.030 . 2 . . . . 39 GLU HG3 . 10273 1 438 . 1 1 39 39 GLU C C 13 174.769 0.300 . 1 . . . . 39 GLU C . 10273 1 439 . 1 1 39 39 GLU CA C 13 58.418 0.300 . 1 . . . . 39 GLU CA . 10273 1 440 . 1 1 39 39 GLU CB C 13 27.358 0.300 . 1 . . . . 39 GLU CB . 10273 1 441 . 1 1 39 39 GLU CG C 13 33.566 0.300 . 1 . . . . 39 GLU CG . 10273 1 442 . 1 1 39 39 GLU N N 15 121.954 0.300 . 1 . . . . 39 GLU N . 10273 1 443 . 1 1 40 40 ASP H H 1 7.493 0.030 . 1 . . . . 40 ASP H . 10273 1 444 . 1 1 40 40 ASP HA H 1 4.071 0.030 . 1 . . . . 40 ASP HA . 10273 1 445 . 1 1 40 40 ASP HB2 H 1 2.832 0.030 . 2 . . . . 40 ASP HB2 . 10273 1 446 . 1 1 40 40 ASP HB3 H 1 2.336 0.030 . 2 . . . . 40 ASP HB3 . 10273 1 447 . 1 1 40 40 ASP C C 13 176.738 0.300 . 1 . . . . 40 ASP C . 10273 1 448 . 1 1 40 40 ASP CA C 13 55.877 0.300 . 1 . . . . 40 ASP CA . 10273 1 449 . 1 1 40 40 ASP CB C 13 38.721 0.300 . 1 . . . . 40 ASP CB . 10273 1 450 . 1 1 40 40 ASP N N 15 119.054 0.300 . 1 . . . . 40 ASP N . 10273 1 451 . 1 1 41 41 PHE H H 1 8.429 0.030 . 1 . . . . 41 PHE H . 10273 1 452 . 1 1 41 41 PHE HA H 1 3.750 0.030 . 1 . . . . 41 PHE HA . 10273 1 453 . 1 1 41 41 PHE HB2 H 1 3.440 0.030 . 2 . . . . 41 PHE HB2 . 10273 1 454 . 1 1 41 41 PHE HB3 H 1 2.674 0.030 . 2 . . . . 41 PHE HB3 . 10273 1 455 . 1 1 41 41 PHE HD1 H 1 6.894 0.030 . 1 . . . . 41 PHE HD1 . 10273 1 456 . 1 1 41 41 PHE HD2 H 1 6.894 0.030 . 1 . . . . 41 PHE HD2 . 10273 1 457 . 1 1 41 41 PHE HE1 H 1 6.985 0.030 . 1 . . . . 41 PHE HE1 . 10273 1 458 . 1 1 41 41 PHE HE2 H 1 6.985 0.030 . 1 . . . . 41 PHE HE2 . 10273 1 459 . 1 1 41 41 PHE HZ H 1 7.151 0.030 . 1 . . . . 41 PHE HZ . 10273 1 460 . 1 1 41 41 PHE C C 13 173.786 0.300 . 1 . . . . 41 PHE C . 10273 1 461 . 1 1 41 41 PHE CA C 13 59.851 0.300 . 1 . . . . 41 PHE CA . 10273 1 462 . 1 1 41 41 PHE CB C 13 36.135 0.300 . 1 . . . . 41 PHE CB . 10273 1 463 . 1 1 41 41 PHE CD1 C 13 128.569 0.300 . 1 . . . . 41 PHE CD1 . 10273 1 464 . 1 1 41 41 PHE CD2 C 13 128.569 0.300 . 1 . . . . 41 PHE CD2 . 10273 1 465 . 1 1 41 41 PHE CE1 C 13 128.873 0.300 . 1 . . . . 41 PHE CE1 . 10273 1 466 . 1 1 41 41 PHE CE2 C 13 128.873 0.300 . 1 . . . . 41 PHE CE2 . 10273 1 467 . 1 1 41 41 PHE CZ C 13 128.866 0.300 . 1 . . . . 41 PHE CZ . 10273 1 468 . 1 1 41 41 PHE N N 15 121.017 0.300 . 1 . . . . 41 PHE N . 10273 1 469 . 1 1 42 42 CYS H H 1 8.527 0.030 . 1 . . . . 42 CYS H . 10273 1 470 . 1 1 42 42 CYS HA H 1 3.752 0.030 . 1 . . . . 42 CYS HA . 10273 1 471 . 1 1 42 42 CYS HB2 H 1 3.081 0.030 . 2 . . . . 42 CYS HB2 . 10273 1 472 . 1 1 42 42 CYS HB3 H 1 2.466 0.030 . 2 . . . . 42 CYS HB3 . 10273 1 473 . 1 1 42 42 CYS C C 13 174.065 0.300 . 1 . . . . 42 CYS C . 10273 1 474 . 1 1 42 42 CYS CA C 13 62.453 0.300 . 1 . . . . 42 CYS CA . 10273 1 475 . 1 1 42 42 CYS CB C 13 24.429 0.300 . 1 . . . . 42 CYS CB . 10273 1 476 . 1 1 42 42 CYS N N 15 116.390 0.300 . 1 . . . . 42 CYS N . 10273 1 477 . 1 1 43 43 MET H H 1 7.739 0.030 . 1 . . . . 43 MET H . 10273 1 478 . 1 1 43 43 MET HA H 1 3.885 0.030 . 1 . . . . 43 MET HA . 10273 1 479 . 1 1 43 43 MET HB2 H 1 2.057 0.030 . 2 . . . . 43 MET HB2 . 10273 1 480 . 1 1 43 43 MET HB3 H 1 1.901 0.030 . 2 . . . . 43 MET HB3 . 10273 1 481 . 1 1 43 43 MET HE1 H 1 1.998 0.030 . 1 . . . . 43 MET HE . 10273 1 482 . 1 1 43 43 MET HE2 H 1 1.998 0.030 . 1 . . . . 43 MET HE . 10273 1 483 . 1 1 43 43 MET HE3 H 1 1.998 0.030 . 1 . . . . 43 MET HE . 10273 1 484 . 1 1 43 43 MET HG2 H 1 2.655 0.030 . 1 . . . . 43 MET HG2 . 10273 1 485 . 1 1 43 43 MET HG3 H 1 2.655 0.030 . 1 . . . . 43 MET HG3 . 10273 1 486 . 1 1 43 43 MET C C 13 175.345 0.300 . 1 . . . . 43 MET C . 10273 1 487 . 1 1 43 43 MET CA C 13 54.460 0.300 . 1 . . . . 43 MET CA . 10273 1 488 . 1 1 43 43 MET CB C 13 28.872 0.300 . 1 . . . . 43 MET CB . 10273 1 489 . 1 1 43 43 MET CE C 13 14.068 0.300 . 1 . . . . 43 MET CE . 10273 1 490 . 1 1 43 43 MET CG C 13 29.525 0.300 . 1 . . . . 43 MET CG . 10273 1 491 . 1 1 43 43 MET N N 15 114.377 0.300 . 1 . . . . 43 MET N . 10273 1 492 . 1 1 44 44 LYS H H 1 7.257 0.030 . 1 . . . . 44 LYS H . 10273 1 493 . 1 1 44 44 LYS HA H 1 3.896 0.030 . 1 . . . . 44 LYS HA . 10273 1 494 . 1 1 44 44 LYS HB2 H 1 1.695 0.030 . 2 . . . . 44 LYS HB2 . 10273 1 495 . 1 1 44 44 LYS HB3 H 1 1.626 0.030 . 2 . . . . 44 LYS HB3 . 10273 1 496 . 1 1 44 44 LYS HD2 H 1 1.590 0.030 . 2 . . . . 44 LYS HD2 . 10273 1 497 . 1 1 44 44 LYS HD3 H 1 1.466 0.030 . 2 . . . . 44 LYS HD3 . 10273 1 498 . 1 1 44 44 LYS HE2 H 1 2.913 0.030 . 1 . . . . 44 LYS HE2 . 10273 1 499 . 1 1 44 44 LYS HE3 H 1 2.913 0.030 . 1 . . . . 44 LYS HE3 . 10273 1 500 . 1 1 44 44 LYS HG2 H 1 1.270 0.030 . 2 . . . . 44 LYS HG2 . 10273 1 501 . 1 1 44 44 LYS HG3 H 1 1.207 0.030 . 2 . . . . 44 LYS HG3 . 10273 1 502 . 1 1 44 44 LYS C C 13 175.198 0.300 . 1 . . . . 44 LYS C . 10273 1 503 . 1 1 44 44 LYS CA C 13 54.181 0.300 . 1 . . . . 44 LYS CA . 10273 1 504 . 1 1 44 44 LYS CB C 13 29.291 0.300 . 1 . . . . 44 LYS CB . 10273 1 505 . 1 1 44 44 LYS CD C 13 25.960 0.300 . 1 . . . . 44 LYS CD . 10273 1 506 . 1 1 44 44 LYS CE C 13 39.817 0.300 . 1 . . . . 44 LYS CE . 10273 1 507 . 1 1 44 44 LYS CG C 13 22.287 0.300 . 1 . . . . 44 LYS CG . 10273 1 508 . 1 1 44 44 LYS N N 15 117.480 0.300 . 1 . . . . 44 LYS N . 10273 1 509 . 1 1 45 45 ILE H H 1 7.146 0.030 . 1 . . . . 45 ILE H . 10273 1 510 . 1 1 45 45 ILE HA H 1 3.697 0.030 . 1 . . . . 45 ILE HA . 10273 1 511 . 1 1 45 45 ILE HB H 1 1.903 0.030 . 1 . . . . 45 ILE HB . 10273 1 512 . 1 1 45 45 ILE HD11 H 1 0.294 0.030 . 1 . . . . 45 ILE HD1 . 10273 1 513 . 1 1 45 45 ILE HD12 H 1 0.294 0.030 . 1 . . . . 45 ILE HD1 . 10273 1 514 . 1 1 45 45 ILE HD13 H 1 0.294 0.030 . 1 . . . . 45 ILE HD1 . 10273 1 515 . 1 1 45 45 ILE HG12 H 1 1.044 0.030 . 2 . . . . 45 ILE HG12 . 10273 1 516 . 1 1 45 45 ILE HG13 H 1 0.860 0.030 . 2 . . . . 45 ILE HG13 . 10273 1 517 . 1 1 45 45 ILE HG21 H 1 0.779 0.030 . 1 . . . . 45 ILE HG2 . 10273 1 518 . 1 1 45 45 ILE HG22 H 1 0.779 0.030 . 1 . . . . 45 ILE HG2 . 10273 1 519 . 1 1 45 45 ILE HG23 H 1 0.779 0.030 . 1 . . . . 45 ILE HG2 . 10273 1 520 . 1 1 45 45 ILE C C 13 174.894 0.300 . 1 . . . . 45 ILE C . 10273 1 521 . 1 1 45 45 ILE CA C 13 59.954 0.300 . 1 . . . . 45 ILE CA . 10273 1 522 . 1 1 45 45 ILE CB C 13 33.943 0.300 . 1 . . . . 45 ILE CB . 10273 1 523 . 1 1 45 45 ILE CD1 C 13 7.619 0.300 . 1 . . . . 45 ILE CD1 . 10273 1 524 . 1 1 45 45 ILE CG1 C 13 23.802 0.300 . 1 . . . . 45 ILE CG1 . 10273 1 525 . 1 1 45 45 ILE CG2 C 13 15.170 0.300 . 1 . . . . 45 ILE CG2 . 10273 1 526 . 1 1 45 45 ILE N N 15 119.267 0.300 . 1 . . . . 45 ILE N . 10273 1 527 . 1 1 46 46 HIS H H 1 7.982 0.030 . 1 . . . . 46 HIS H . 10273 1 528 . 1 1 46 46 HIS HA H 1 4.200 0.030 . 1 . . . . 46 HIS HA . 10273 1 529 . 1 1 46 46 HIS HB2 H 1 3.255 0.030 . 2 . . . . 46 HIS HB2 . 10273 1 530 . 1 1 46 46 HIS HB3 H 1 2.703 0.030 . 2 . . . . 46 HIS HB3 . 10273 1 531 . 1 1 46 46 HIS HD2 H 1 7.071 0.030 . 1 . . . . 46 HIS HD2 . 10273 1 532 . 1 1 46 46 HIS HE1 H 1 7.579 0.030 . 1 . . . . 46 HIS HE1 . 10273 1 533 . 1 1 46 46 HIS C C 13 173.349 0.300 . 1 . . . . 46 HIS C . 10273 1 534 . 1 1 46 46 HIS CA C 13 56.363 0.300 . 1 . . . . 46 HIS CA . 10273 1 535 . 1 1 46 46 HIS CB C 13 30.998 0.300 . 1 . . . . 46 HIS CB . 10273 1 536 . 1 1 46 46 HIS CD2 C 13 116.196 0.300 . 1 . . . . 46 HIS CD2 . 10273 1 537 . 1 1 46 46 HIS CE1 C 13 136.215 0.300 . 1 . . . . 46 HIS CE1 . 10273 1 538 . 1 1 46 46 HIS N N 15 116.498 0.300 . 1 . . . . 46 HIS N . 10273 1 539 . 1 1 47 47 LYS H H 1 8.478 0.030 . 1 . . . . 47 LYS H . 10273 1 540 . 1 1 47 47 LYS HA H 1 4.091 0.030 . 1 . . . . 47 LYS HA . 10273 1 541 . 1 1 47 47 LYS HB2 H 1 1.706 0.030 . 2 . . . . 47 LYS HB2 . 10273 1 542 . 1 1 47 47 LYS HB3 H 1 1.627 0.030 . 2 . . . . 47 LYS HB3 . 10273 1 543 . 1 1 47 47 LYS HG2 H 1 1.246 0.030 . 2 . . . . 47 LYS HG2 . 10273 1 544 . 1 1 47 47 LYS HG3 H 1 1.177 0.030 . 2 . . . . 47 LYS HG3 . 10273 1 545 . 1 1 47 47 LYS C C 13 174.519 0.300 . 1 . . . . 47 LYS C . 10273 1 546 . 1 1 47 47 LYS CA C 13 57.279 0.300 . 1 . . . . 47 LYS CA . 10273 1 547 . 1 1 47 47 LYS CB C 13 29.709 0.300 . 1 . . . . 47 LYS CB . 10273 1 548 . 1 1 47 47 LYS CD C 13 26.921 0.300 . 1 . . . . 47 LYS CD . 10273 1 549 . 1 1 47 47 LYS CE C 13 39.694 0.300 . 1 . . . . 47 LYS CE . 10273 1 550 . 1 1 47 47 LYS CG C 13 21.743 0.300 . 1 . . . . 47 LYS CG . 10273 1 551 . 1 1 47 47 LYS N N 15 127.686 0.300 . 1 . . . . 47 LYS N . 10273 1 552 . 1 1 48 48 ASN H H 1 10.623 0.030 . 1 . . . . 48 ASN H . 10273 1 553 . 1 1 48 48 ASN HA H 1 4.839 0.030 . 1 . . . . 48 ASN HA . 10273 1 554 . 1 1 48 48 ASN HB2 H 1 2.922 0.030 . 2 . . . . 48 ASN HB2 . 10273 1 555 . 1 1 48 48 ASN HB3 H 1 2.724 0.030 . 2 . . . . 48 ASN HB3 . 10273 1 556 . 1 1 48 48 ASN HD21 H 1 7.663 0.030 . 2 . . . . 48 ASN HD21 . 10273 1 557 . 1 1 48 48 ASN HD22 H 1 6.904 0.030 . 2 . . . . 48 ASN HD22 . 10273 1 558 . 1 1 48 48 ASN C C 13 175.138 0.300 . 1 . . . . 48 ASN C . 10273 1 559 . 1 1 48 48 ASN CA C 13 50.960 0.300 . 1 . . . . 48 ASN CA . 10273 1 560 . 1 1 48 48 ASN CB C 13 36.975 0.300 . 1 . . . . 48 ASN CB . 10273 1 561 . 1 1 48 48 ASN N N 15 118.711 0.300 . 1 . . . . 48 ASN N . 10273 1 562 . 1 1 48 48 ASN ND2 N 15 112.204 0.300 . 1 . . . . 48 ASN ND2 . 10273 1 563 . 1 1 49 49 LEU H H 1 7.796 0.030 . 1 . . . . 49 LEU H . 10273 1 564 . 1 1 49 49 LEU HA H 1 4.103 0.030 . 1 . . . . 49 LEU HA . 10273 1 565 . 1 1 49 49 LEU HB2 H 1 1.882 0.030 . 2 . . . . 49 LEU HB2 . 10273 1 566 . 1 1 49 49 LEU HB3 H 1 1.521 0.030 . 2 . . . . 49 LEU HB3 . 10273 1 567 . 1 1 49 49 LEU HD11 H 1 1.043 0.030 . 1 . . . . 49 LEU HD1 . 10273 1 568 . 1 1 49 49 LEU HD12 H 1 1.043 0.030 . 1 . . . . 49 LEU HD1 . 10273 1 569 . 1 1 49 49 LEU HD13 H 1 1.043 0.030 . 1 . . . . 49 LEU HD1 . 10273 1 570 . 1 1 49 49 LEU HD21 H 1 0.991 0.030 . 1 . . . . 49 LEU HD2 . 10273 1 571 . 1 1 49 49 LEU HD22 H 1 0.991 0.030 . 1 . . . . 49 LEU HD2 . 10273 1 572 . 1 1 49 49 LEU HD23 H 1 0.991 0.030 . 1 . . . . 49 LEU HD2 . 10273 1 573 . 1 1 49 49 LEU HG H 1 1.554 0.030 . 1 . . . . 49 LEU HG . 10273 1 574 . 1 1 49 49 LEU C C 13 176.976 0.300 . 1 . . . . 49 LEU C . 10273 1 575 . 1 1 49 49 LEU CA C 13 56.381 0.300 . 1 . . . . 49 LEU CA . 10273 1 576 . 1 1 49 49 LEU CB C 13 39.064 0.300 . 1 . . . . 49 LEU CB . 10273 1 577 . 1 1 49 49 LEU CD1 C 13 23.944 0.300 . 2 . . . . 49 LEU CD1 . 10273 1 578 . 1 1 49 49 LEU CD2 C 13 20.948 0.300 . 2 . . . . 49 LEU CD2 . 10273 1 579 . 1 1 49 49 LEU CG C 13 25.400 0.300 . 1 . . . . 49 LEU CG . 10273 1 580 . 1 1 49 49 LEU N N 15 124.676 0.300 . 1 . . . . 49 LEU N . 10273 1 581 . 1 1 50 50 ILE H H 1 9.052 0.030 . 1 . . . . 50 ILE H . 10273 1 582 . 1 1 50 50 ILE HA H 1 4.060 0.030 . 1 . . . . 50 ILE HA . 10273 1 583 . 1 1 50 50 ILE HB H 1 1.763 0.030 . 1 . . . . 50 ILE HB . 10273 1 584 . 1 1 50 50 ILE HD11 H 1 0.596 0.030 . 1 . . . . 50 ILE HD1 . 10273 1 585 . 1 1 50 50 ILE HD12 H 1 0.596 0.030 . 1 . . . . 50 ILE HD1 . 10273 1 586 . 1 1 50 50 ILE HD13 H 1 0.596 0.030 . 1 . . . . 50 ILE HD1 . 10273 1 587 . 1 1 50 50 ILE HG12 H 1 1.298 0.030 . 1 . . . . 50 ILE HG12 . 10273 1 588 . 1 1 50 50 ILE HG13 H 1 1.298 0.030 . 1 . . . . 50 ILE HG13 . 10273 1 589 . 1 1 50 50 ILE HG21 H 1 0.855 0.030 . 1 . . . . 50 ILE HG2 . 10273 1 590 . 1 1 50 50 ILE HG22 H 1 0.855 0.030 . 1 . . . . 50 ILE HG2 . 10273 1 591 . 1 1 50 50 ILE HG23 H 1 0.855 0.030 . 1 . . . . 50 ILE HG2 . 10273 1 592 . 1 1 50 50 ILE C C 13 173.983 0.300 . 1 . . . . 50 ILE C . 10273 1 593 . 1 1 50 50 ILE CA C 13 57.842 0.300 . 1 . . . . 50 ILE CA . 10273 1 594 . 1 1 50 50 ILE CB C 13 35.943 0.300 . 1 . . . . 50 ILE CB . 10273 1 595 . 1 1 50 50 ILE CD1 C 13 11.987 0.300 . 1 . . . . 50 ILE CD1 . 10273 1 596 . 1 1 50 50 ILE CG1 C 13 25.667 0.300 . 1 . . . . 50 ILE CG1 . 10273 1 597 . 1 1 50 50 ILE CG2 C 13 16.626 0.300 . 1 . . . . 50 ILE CG2 . 10273 1 598 . 1 1 50 50 ILE N N 15 116.565 0.300 . 1 . . . . 50 ILE N . 10273 1 599 . 1 1 51 51 LYS H H 1 7.275 0.030 . 1 . . . . 51 LYS H . 10273 1 600 . 1 1 51 51 LYS HA H 1 4.143 0.030 . 1 . . . . 51 LYS HA . 10273 1 601 . 1 1 51 51 LYS HB2 H 1 1.938 0.030 . 2 . . . . 51 LYS HB2 . 10273 1 602 . 1 1 51 51 LYS HB3 H 1 1.865 0.030 . 2 . . . . 51 LYS HB3 . 10273 1 603 . 1 1 51 51 LYS HD2 H 1 1.613 0.030 . 1 . . . . 51 LYS HD2 . 10273 1 604 . 1 1 51 51 LYS HD3 H 1 1.613 0.030 . 1 . . . . 51 LYS HD3 . 10273 1 605 . 1 1 51 51 LYS HE2 H 1 2.918 0.030 . 1 . . . . 51 LYS HE2 . 10273 1 606 . 1 1 51 51 LYS HE3 H 1 2.918 0.030 . 1 . . . . 51 LYS HE3 . 10273 1 607 . 1 1 51 51 LYS HG2 H 1 1.428 0.030 . 2 . . . . 51 LYS HG2 . 10273 1 608 . 1 1 51 51 LYS HG3 H 1 1.377 0.030 . 2 . . . . 51 LYS HG3 . 10273 1 609 . 1 1 51 51 LYS C C 13 175.668 0.300 . 1 . . . . 51 LYS C . 10273 1 610 . 1 1 51 51 LYS CA C 13 55.696 0.300 . 1 . . . . 51 LYS CA . 10273 1 611 . 1 1 51 51 LYS CB C 13 29.767 0.300 . 1 . . . . 51 LYS CB . 10273 1 612 . 1 1 51 51 LYS CD C 13 26.729 0.300 . 1 . . . . 51 LYS CD . 10273 1 613 . 1 1 51 51 LYS CE C 13 39.825 0.300 . 1 . . . . 51 LYS CE . 10273 1 614 . 1 1 51 51 LYS CG C 13 23.382 0.300 . 1 . . . . 51 LYS CG . 10273 1 615 . 1 1 51 51 LYS N N 15 119.864 0.300 . 1 . . . . 51 LYS N . 10273 1 616 . 1 1 52 52 GLU H H 1 7.590 0.030 . 1 . . . . 52 GLU H . 10273 1 617 . 1 1 52 52 GLU HA H 1 4.319 0.030 . 1 . . . . 52 GLU HA . 10273 1 618 . 1 1 52 52 GLU HB2 H 1 2.220 0.030 . 2 . . . . 52 GLU HB2 . 10273 1 619 . 1 1 52 52 GLU HB3 H 1 1.964 0.030 . 2 . . . . 52 GLU HB3 . 10273 1 620 . 1 1 52 52 GLU HG2 H 1 2.230 0.030 . 2 . . . . 52 GLU HG2 . 10273 1 621 . 1 1 52 52 GLU HG3 H 1 2.088 0.030 . 2 . . . . 52 GLU HG3 . 10273 1 622 . 1 1 52 52 GLU C C 13 173.088 0.300 . 1 . . . . 52 GLU C . 10273 1 623 . 1 1 52 52 GLU CA C 13 53.301 0.300 . 1 . . . . 52 GLU CA . 10273 1 624 . 1 1 52 52 GLU CB C 13 28.778 0.300 . 1 . . . . 52 GLU CB . 10273 1 625 . 1 1 52 52 GLU CG C 13 33.784 0.300 . 1 . . . . 52 GLU CG . 10273 1 626 . 1 1 52 52 GLU N N 15 116.453 0.300 . 1 . . . . 52 GLU N . 10273 1 627 . 1 1 53 53 PHE H H 1 7.423 0.030 . 1 . . . . 53 PHE H . 10273 1 628 . 1 1 53 53 PHE HA H 1 3.608 0.030 . 1 . . . . 53 PHE HA . 10273 1 629 . 1 1 53 53 PHE HB2 H 1 3.128 0.030 . 2 . . . . 53 PHE HB2 . 10273 1 630 . 1 1 53 53 PHE HB3 H 1 3.081 0.030 . 2 . . . . 53 PHE HB3 . 10273 1 631 . 1 1 53 53 PHE HD1 H 1 6.953 0.030 . 1 . . . . 53 PHE HD1 . 10273 1 632 . 1 1 53 53 PHE HD2 H 1 6.953 0.030 . 1 . . . . 53 PHE HD2 . 10273 1 633 . 1 1 53 53 PHE HE1 H 1 7.036 0.030 . 1 . . . . 53 PHE HE1 . 10273 1 634 . 1 1 53 53 PHE HE2 H 1 7.036 0.030 . 1 . . . . 53 PHE HE2 . 10273 1 635 . 1 1 53 53 PHE HZ H 1 6.946 0.030 . 1 . . . . 53 PHE HZ . 10273 1 636 . 1 1 53 53 PHE C C 13 170.946 0.300 . 1 . . . . 53 PHE C . 10273 1 637 . 1 1 53 53 PHE CA C 13 57.983 0.300 . 1 . . . . 53 PHE CA . 10273 1 638 . 1 1 53 53 PHE CB C 13 38.913 0.300 . 1 . . . . 53 PHE CB . 10273 1 639 . 1 1 53 53 PHE CD1 C 13 129.589 0.300 . 1 . . . . 53 PHE CD1 . 10273 1 640 . 1 1 53 53 PHE CD2 C 13 129.589 0.300 . 1 . . . . 53 PHE CD2 . 10273 1 641 . 1 1 53 53 PHE CE1 C 13 128.570 0.300 . 1 . . . . 53 PHE CE1 . 10273 1 642 . 1 1 53 53 PHE CE2 C 13 128.570 0.300 . 1 . . . . 53 PHE CE2 . 10273 1 643 . 1 1 53 53 PHE CZ C 13 126.305 0.300 . 1 . . . . 53 PHE CZ . 10273 1 644 . 1 1 53 53 PHE N N 15 120.950 0.300 . 1 . . . . 53 PHE N . 10273 1 645 . 1 1 54 54 LYS H H 1 8.385 0.030 . 1 . . . . 54 LYS H . 10273 1 646 . 1 1 54 54 LYS HA H 1 4.268 0.030 . 1 . . . . 54 LYS HA . 10273 1 647 . 1 1 54 54 LYS HB2 H 1 1.243 0.030 . 2 . . . . 54 LYS HB2 . 10273 1 648 . 1 1 54 54 LYS HB3 H 1 1.017 0.030 . 2 . . . . 54 LYS HB3 . 10273 1 649 . 1 1 54 54 LYS HD2 H 1 1.514 0.030 . 2 . . . . 54 LYS HD2 . 10273 1 650 . 1 1 54 54 LYS HD3 H 1 1.396 0.030 . 2 . . . . 54 LYS HD3 . 10273 1 651 . 1 1 54 54 LYS HE2 H 1 2.927 0.030 . 2 . . . . 54 LYS HE2 . 10273 1 652 . 1 1 54 54 LYS HE3 H 1 2.882 0.030 . 2 . . . . 54 LYS HE3 . 10273 1 653 . 1 1 54 54 LYS HG2 H 1 1.300 0.030 . 2 . . . . 54 LYS HG2 . 10273 1 654 . 1 1 54 54 LYS HG3 H 1 1.241 0.030 . 2 . . . . 54 LYS HG3 . 10273 1 655 . 1 1 54 54 LYS C C 13 173.038 0.300 . 1 . . . . 54 LYS C . 10273 1 656 . 1 1 54 54 LYS CA C 13 55.263 0.300 . 1 . . . . 54 LYS CA . 10273 1 657 . 1 1 54 54 LYS CB C 13 32.730 0.300 . 1 . . . . 54 LYS CB . 10273 1 658 . 1 1 54 54 LYS CD C 13 27.592 0.300 . 1 . . . . 54 LYS CD . 10273 1 659 . 1 1 54 54 LYS CE C 13 39.750 0.300 . 1 . . . . 54 LYS CE . 10273 1 660 . 1 1 54 54 LYS CG C 13 23.333 0.300 . 1 . . . . 54 LYS CG . 10273 1 661 . 1 1 54 54 LYS N N 15 128.686 0.300 . 1 . . . . 54 LYS N . 10273 1 662 . 1 1 55 55 TYR H H 1 7.083 0.030 . 1 . . . . 55 TYR H . 10273 1 663 . 1 1 55 55 TYR HA H 1 4.120 0.030 . 1 . . . . 55 TYR HA . 10273 1 664 . 1 1 55 55 TYR HB2 H 1 3.024 0.030 . 2 . . . . 55 TYR HB2 . 10273 1 665 . 1 1 55 55 TYR HB3 H 1 2.866 0.030 . 2 . . . . 55 TYR HB3 . 10273 1 666 . 1 1 55 55 TYR HD1 H 1 6.564 0.030 . 1 . . . . 55 TYR HD1 . 10273 1 667 . 1 1 55 55 TYR HD2 H 1 6.564 0.030 . 1 . . . . 55 TYR HD2 . 10273 1 668 . 1 1 55 55 TYR HE1 H 1 6.494 0.030 . 1 . . . . 55 TYR HE1 . 10273 1 669 . 1 1 55 55 TYR HE2 H 1 6.494 0.030 . 1 . . . . 55 TYR HE2 . 10273 1 670 . 1 1 55 55 TYR C C 13 168.503 0.300 . 1 . . . . 55 TYR C . 10273 1 671 . 1 1 55 55 TYR CA C 13 55.198 0.300 . 1 . . . . 55 TYR CA . 10273 1 672 . 1 1 55 55 TYR CB C 13 35.633 0.300 . 1 . . . . 55 TYR CB . 10273 1 673 . 1 1 55 55 TYR CD1 C 13 131.060 0.300 . 1 . . . . 55 TYR CD1 . 10273 1 674 . 1 1 55 55 TYR CD2 C 13 131.060 0.300 . 1 . . . . 55 TYR CD2 . 10273 1 675 . 1 1 55 55 TYR CE1 C 13 115.616 0.300 . 1 . . . . 55 TYR CE1 . 10273 1 676 . 1 1 55 55 TYR CE2 C 13 115.616 0.300 . 1 . . . . 55 TYR CE2 . 10273 1 677 . 1 1 55 55 TYR N N 15 110.963 0.300 . 1 . . . . 55 TYR N . 10273 1 678 . 1 1 56 56 ALA H H 1 8.836 0.030 . 1 . . . . 56 ALA H . 10273 1 679 . 1 1 56 56 ALA HA H 1 5.293 0.030 . 1 . . . . 56 ALA HA . 10273 1 680 . 1 1 56 56 ALA HB1 H 1 1.273 0.030 . 1 . . . . 56 ALA HB . 10273 1 681 . 1 1 56 56 ALA HB2 H 1 1.273 0.030 . 1 . . . . 56 ALA HB . 10273 1 682 . 1 1 56 56 ALA HB3 H 1 1.273 0.030 . 1 . . . . 56 ALA HB . 10273 1 683 . 1 1 56 56 ALA C C 13 172.993 0.300 . 1 . . . . 56 ALA C . 10273 1 684 . 1 1 56 56 ALA CA C 13 47.088 0.300 . 1 . . . . 56 ALA CA . 10273 1 685 . 1 1 56 56 ALA CB C 13 20.287 0.300 . 1 . . . . 56 ALA CB . 10273 1 686 . 1 1 56 56 ALA N N 15 118.379 0.300 . 1 . . . . 56 ALA N . 10273 1 687 . 1 1 57 57 LEU H H 1 8.880 0.030 . 1 . . . . 57 LEU H . 10273 1 688 . 1 1 57 57 LEU HA H 1 4.854 0.030 . 1 . . . . 57 LEU HA . 10273 1 689 . 1 1 57 57 LEU HB2 H 1 1.601 0.030 . 2 . . . . 57 LEU HB2 . 10273 1 690 . 1 1 57 57 LEU HB3 H 1 0.424 0.030 . 2 . . . . 57 LEU HB3 . 10273 1 691 . 1 1 57 57 LEU HD11 H 1 0.795 0.030 . 1 . . . . 57 LEU HD1 . 10273 1 692 . 1 1 57 57 LEU HD12 H 1 0.795 0.030 . 1 . . . . 57 LEU HD1 . 10273 1 693 . 1 1 57 57 LEU HD13 H 1 0.795 0.030 . 1 . . . . 57 LEU HD1 . 10273 1 694 . 1 1 57 57 LEU HD21 H 1 0.563 0.030 . 1 . . . . 57 LEU HD2 . 10273 1 695 . 1 1 57 57 LEU HD22 H 1 0.563 0.030 . 1 . . . . 57 LEU HD2 . 10273 1 696 . 1 1 57 57 LEU HD23 H 1 0.563 0.030 . 1 . . . . 57 LEU HD2 . 10273 1 697 . 1 1 57 57 LEU HG H 1 1.441 0.030 . 1 . . . . 57 LEU HG . 10273 1 698 . 1 1 57 57 LEU C C 13 172.904 0.300 . 1 . . . . 57 LEU C . 10273 1 699 . 1 1 57 57 LEU CA C 13 50.872 0.300 . 1 . . . . 57 LEU CA . 10273 1 700 . 1 1 57 57 LEU CB C 13 42.160 0.300 . 1 . . . . 57 LEU CB . 10273 1 701 . 1 1 57 57 LEU CD1 C 13 23.052 0.300 . 2 . . . . 57 LEU CD1 . 10273 1 702 . 1 1 57 57 LEU CD2 C 13 20.823 0.300 . 2 . . . . 57 LEU CD2 . 10273 1 703 . 1 1 57 57 LEU CG C 13 24.563 0.300 . 1 . . . . 57 LEU CG . 10273 1 704 . 1 1 57 57 LEU N N 15 121.382 0.300 . 1 . . . . 57 LEU N . 10273 1 705 . 1 1 58 58 VAL H H 1 8.123 0.030 . 1 . . . . 58 VAL H . 10273 1 706 . 1 1 58 58 VAL HA H 1 5.243 0.030 . 1 . . . . 58 VAL HA . 10273 1 707 . 1 1 58 58 VAL HB H 1 1.396 0.030 . 1 . . . . 58 VAL HB . 10273 1 708 . 1 1 58 58 VAL HG11 H 1 0.544 0.030 . 1 . . . . 58 VAL HG1 . 10273 1 709 . 1 1 58 58 VAL HG12 H 1 0.544 0.030 . 1 . . . . 58 VAL HG1 . 10273 1 710 . 1 1 58 58 VAL HG13 H 1 0.544 0.030 . 1 . . . . 58 VAL HG1 . 10273 1 711 . 1 1 58 58 VAL HG21 H 1 0.673 0.030 . 1 . . . . 58 VAL HG2 . 10273 1 712 . 1 1 58 58 VAL HG22 H 1 0.673 0.030 . 1 . . . . 58 VAL HG2 . 10273 1 713 . 1 1 58 58 VAL HG23 H 1 0.673 0.030 . 1 . . . . 58 VAL HG2 . 10273 1 714 . 1 1 58 58 VAL C C 13 171.929 0.300 . 1 . . . . 58 VAL C . 10273 1 715 . 1 1 58 58 VAL CA C 13 57.683 0.300 . 1 . . . . 58 VAL CA . 10273 1 716 . 1 1 58 58 VAL CB C 13 33.036 0.300 . 1 . . . . 58 VAL CB . 10273 1 717 . 1 1 58 58 VAL CG1 C 13 21.249 0.300 . 2 . . . . 58 VAL CG1 . 10273 1 718 . 1 1 58 58 VAL CG2 C 13 19.082 0.300 . 2 . . . . 58 VAL CG2 . 10273 1 719 . 1 1 58 58 VAL N N 15 120.400 0.300 . 1 . . . . 58 VAL N . 10273 1 720 . 1 1 59 59 TRP H H 1 9.316 0.030 . 1 . . . . 59 TRP H . 10273 1 721 . 1 1 59 59 TRP HA H 1 4.843 0.030 . 1 . . . . 59 TRP HA . 10273 1 722 . 1 1 59 59 TRP HB2 H 1 3.215 0.030 . 2 . . . . 59 TRP HB2 . 10273 1 723 . 1 1 59 59 TRP HB3 H 1 2.975 0.030 . 2 . . . . 59 TRP HB3 . 10273 1 724 . 1 1 59 59 TRP HD1 H 1 7.045 0.030 . 1 . . . . 59 TRP HD1 . 10273 1 725 . 1 1 59 59 TRP HE1 H 1 10.134 0.030 . 1 . . . . 59 TRP HE1 . 10273 1 726 . 1 1 59 59 TRP HE3 H 1 7.621 0.030 . 1 . . . . 59 TRP HE3 . 10273 1 727 . 1 1 59 59 TRP HH2 H 1 7.014 0.030 . 1 . . . . 59 TRP HH2 . 10273 1 728 . 1 1 59 59 TRP HZ2 H 1 7.317 0.030 . 1 . . . . 59 TRP HZ2 . 10273 1 729 . 1 1 59 59 TRP HZ3 H 1 6.771 0.030 . 1 . . . . 59 TRP HZ3 . 10273 1 730 . 1 1 59 59 TRP C C 13 173.582 0.300 . 1 . . . . 59 TRP C . 10273 1 731 . 1 1 59 59 TRP CA C 13 54.736 0.300 . 1 . . . . 59 TRP CA . 10273 1 732 . 1 1 59 59 TRP CB C 13 30.514 0.300 . 1 . . . . 59 TRP CB . 10273 1 733 . 1 1 59 59 TRP CD1 C 13 124.877 0.300 . 1 . . . . 59 TRP CD1 . 10273 1 734 . 1 1 59 59 TRP CE3 C 13 120.683 0.300 . 1 . . . . 59 TRP CE3 . 10273 1 735 . 1 1 59 59 TRP CH2 C 13 122.548 0.300 . 1 . . . . 59 TRP CH2 . 10273 1 736 . 1 1 59 59 TRP CZ2 C 13 111.185 0.300 . 1 . . . . 59 TRP CZ2 . 10273 1 737 . 1 1 59 59 TRP CZ3 C 13 120.560 0.300 . 1 . . . . 59 TRP CZ3 . 10273 1 738 . 1 1 59 59 TRP N N 15 127.196 0.300 . 1 . . . . 59 TRP N . 10273 1 739 . 1 1 59 59 TRP NE1 N 15 128.397 0.300 . 1 . . . . 59 TRP NE1 . 10273 1 740 . 1 1 60 60 GLY H H 1 8.531 0.030 . 1 . . . . 60 GLY H . 10273 1 741 . 1 1 60 60 GLY HA2 H 1 4.934 0.030 . 2 . . . . 60 GLY HA2 . 10273 1 742 . 1 1 60 60 GLY HA3 H 1 4.123 0.030 . 2 . . . . 60 GLY HA3 . 10273 1 743 . 1 1 60 60 GLY C C 13 171.378 0.300 . 1 . . . . 60 GLY C . 10273 1 744 . 1 1 60 60 GLY CA C 13 42.587 0.300 . 1 . . . . 60 GLY CA . 10273 1 745 . 1 1 60 60 GLY N N 15 110.481 0.300 . 1 . . . . 60 GLY N . 10273 1 746 . 1 1 61 61 LEU H H 1 8.188 0.030 . 1 . . . . 61 LEU H . 10273 1 747 . 1 1 61 61 LEU HA H 1 4.141 0.030 . 1 . . . . 61 LEU HA . 10273 1 748 . 1 1 61 61 LEU HB2 H 1 1.670 0.030 . 2 . . . . 61 LEU HB2 . 10273 1 749 . 1 1 61 61 LEU HB3 H 1 1.488 0.030 . 2 . . . . 61 LEU HB3 . 10273 1 750 . 1 1 61 61 LEU HD11 H 1 0.908 0.030 . 1 . . . . 61 LEU HD1 . 10273 1 751 . 1 1 61 61 LEU HD12 H 1 0.908 0.030 . 1 . . . . 61 LEU HD1 . 10273 1 752 . 1 1 61 61 LEU HD13 H 1 0.908 0.030 . 1 . . . . 61 LEU HD1 . 10273 1 753 . 1 1 61 61 LEU HD21 H 1 0.838 0.030 . 1 . . . . 61 LEU HD2 . 10273 1 754 . 1 1 61 61 LEU HD22 H 1 0.838 0.030 . 1 . . . . 61 LEU HD2 . 10273 1 755 . 1 1 61 61 LEU HD23 H 1 0.838 0.030 . 1 . . . . 61 LEU HD2 . 10273 1 756 . 1 1 61 61 LEU HG H 1 1.721 0.030 . 1 . . . . 61 LEU HG . 10273 1 757 . 1 1 61 61 LEU C C 13 176.897 0.300 . 1 . . . . 61 LEU C . 10273 1 758 . 1 1 61 61 LEU CA C 13 54.357 0.300 . 1 . . . . 61 LEU CA . 10273 1 759 . 1 1 61 61 LEU CB C 13 39.942 0.300 . 1 . . . . 61 LEU CB . 10273 1 760 . 1 1 61 61 LEU CD1 C 13 22.954 0.300 . 2 . . . . 61 LEU CD1 . 10273 1 761 . 1 1 61 61 LEU CD2 C 13 20.711 0.300 . 2 . . . . 61 LEU CD2 . 10273 1 762 . 1 1 61 61 LEU CG C 13 24.847 0.300 . 1 . . . . 61 LEU CG . 10273 1 763 . 1 1 61 61 LEU N N 15 118.667 0.300 . 1 . . . . 61 LEU N . 10273 1 764 . 1 1 62 62 SER H H 1 8.123 0.030 . 1 . . . . 62 SER H . 10273 1 765 . 1 1 62 62 SER HA H 1 4.284 0.030 . 1 . . . . 62 SER HA . 10273 1 766 . 1 1 62 62 SER HB2 H 1 4.128 0.030 . 2 . . . . 62 SER HB2 . 10273 1 767 . 1 1 62 62 SER HB3 H 1 3.841 0.030 . 2 . . . . 62 SER HB3 . 10273 1 768 . 1 1 62 62 SER C C 13 171.932 0.300 . 1 . . . . 62 SER C . 10273 1 769 . 1 1 62 62 SER CA C 13 57.279 0.300 . 1 . . . . 62 SER CA . 10273 1 770 . 1 1 62 62 SER CB C 13 60.354 0.300 . 1 . . . . 62 SER CB . 10273 1 771 . 1 1 62 62 SER N N 15 110.946 0.300 . 1 . . . . 62 SER N . 10273 1 772 . 1 1 63 63 VAL H H 1 7.174 0.030 . 1 . . . . 63 VAL H . 10273 1 773 . 1 1 63 63 VAL HA H 1 4.503 0.030 . 1 . . . . 63 VAL HA . 10273 1 774 . 1 1 63 63 VAL HB H 1 2.067 0.030 . 1 . . . . 63 VAL HB . 10273 1 775 . 1 1 63 63 VAL HG11 H 1 0.577 0.030 . 1 . . . . 63 VAL HG1 . 10273 1 776 . 1 1 63 63 VAL HG12 H 1 0.577 0.030 . 1 . . . . 63 VAL HG1 . 10273 1 777 . 1 1 63 63 VAL HG13 H 1 0.577 0.030 . 1 . . . . 63 VAL HG1 . 10273 1 778 . 1 1 63 63 VAL HG21 H 1 0.747 0.030 . 1 . . . . 63 VAL HG2 . 10273 1 779 . 1 1 63 63 VAL HG22 H 1 0.747 0.030 . 1 . . . . 63 VAL HG2 . 10273 1 780 . 1 1 63 63 VAL HG23 H 1 0.747 0.030 . 1 . . . . 63 VAL HG2 . 10273 1 781 . 1 1 63 63 VAL C C 13 173.221 0.300 . 1 . . . . 63 VAL C . 10273 1 782 . 1 1 63 63 VAL CA C 13 57.573 0.300 . 1 . . . . 63 VAL CA . 10273 1 783 . 1 1 63 63 VAL CB C 13 31.826 0.300 . 1 . . . . 63 VAL CB . 10273 1 784 . 1 1 63 63 VAL CG1 C 13 20.565 0.300 . 2 . . . . 63 VAL CG1 . 10273 1 785 . 1 1 63 63 VAL CG2 C 13 16.472 0.300 . 2 . . . . 63 VAL CG2 . 10273 1 786 . 1 1 63 63 VAL N N 15 114.625 0.300 . 1 . . . . 63 VAL N . 10273 1 787 . 1 1 64 64 LYS H H 1 8.112 0.030 . 1 . . . . 64 LYS H . 10273 1 788 . 1 1 64 64 LYS HA H 1 4.105 0.030 . 1 . . . . 64 LYS HA . 10273 1 789 . 1 1 64 64 LYS HB2 H 1 1.550 0.030 . 1 . . . . 64 LYS HB2 . 10273 1 790 . 1 1 64 64 LYS HB3 H 1 1.550 0.030 . 1 . . . . 64 LYS HB3 . 10273 1 791 . 1 1 64 64 LYS HD2 H 1 1.515 0.030 . 1 . . . . 64 LYS HD2 . 10273 1 792 . 1 1 64 64 LYS HD3 H 1 1.515 0.030 . 1 . . . . 64 LYS HD3 . 10273 1 793 . 1 1 64 64 LYS HE2 H 1 2.834 0.030 . 2 . . . . 64 LYS HE2 . 10273 1 794 . 1 1 64 64 LYS HG2 H 1 1.256 0.030 . 2 . . . . 64 LYS HG2 . 10273 1 795 . 1 1 64 64 LYS HG3 H 1 1.122 0.030 . 2 . . . . 64 LYS HG3 . 10273 1 796 . 1 1 64 64 LYS C C 13 174.259 0.300 . 1 . . . . 64 LYS C . 10273 1 797 . 1 1 64 64 LYS CA C 13 54.586 0.300 . 1 . . . . 64 LYS CA . 10273 1 798 . 1 1 64 64 LYS CB C 13 30.837 0.300 . 1 . . . . 64 LYS CB . 10273 1 799 . 1 1 64 64 LYS CD C 13 26.430 0.300 . 1 . . . . 64 LYS CD . 10273 1 800 . 1 1 64 64 LYS CE C 13 39.859 0.300 . 1 . . . . 64 LYS CE . 10273 1 801 . 1 1 64 64 LYS CG C 13 22.597 0.300 . 1 . . . . 64 LYS CG . 10273 1 802 . 1 1 64 64 LYS N N 15 119.722 0.300 . 1 . . . . 64 LYS N . 10273 1 803 . 1 1 65 65 HIS H H 1 7.496 0.030 . 1 . . . . 65 HIS H . 10273 1 804 . 1 1 65 65 HIS HA H 1 4.497 0.030 . 1 . . . . 65 HIS HA . 10273 1 805 . 1 1 65 65 HIS HB2 H 1 2.866 0.030 . 2 . . . . 65 HIS HB2 . 10273 1 806 . 1 1 65 65 HIS HB3 H 1 2.700 0.030 . 2 . . . . 65 HIS HB3 . 10273 1 807 . 1 1 65 65 HIS HD2 H 1 6.851 0.030 . 1 . . . . 65 HIS HD2 . 10273 1 808 . 1 1 65 65 HIS HE1 H 1 7.744 0.030 . 1 . . . . 65 HIS HE1 . 10273 1 809 . 1 1 65 65 HIS C C 13 170.028 0.300 . 1 . . . . 65 HIS C . 10273 1 810 . 1 1 65 65 HIS CA C 13 52.491 0.300 . 1 . . . . 65 HIS CA . 10273 1 811 . 1 1 65 65 HIS CB C 13 29.149 0.300 . 1 . . . . 65 HIS CB . 10273 1 812 . 1 1 65 65 HIS CD2 C 13 119.011 0.300 . 1 . . . . 65 HIS CD2 . 10273 1 813 . 1 1 65 65 HIS CE1 C 13 135.700 0.300 . 1 . . . . 65 HIS CE1 . 10273 1 814 . 1 1 65 65 HIS N N 15 117.336 0.300 . 1 . . . . 65 HIS N . 10273 1 815 . 1 1 66 66 ASN H H 1 8.135 0.030 . 1 . . . . 66 ASN H . 10273 1 816 . 1 1 66 66 ASN HA H 1 4.986 0.030 . 1 . . . . 66 ASN HA . 10273 1 817 . 1 1 66 66 ASN HB2 H 1 2.674 0.030 . 2 . . . . 66 ASN HB2 . 10273 1 818 . 1 1 66 66 ASN HB3 H 1 2.539 0.030 . 2 . . . . 66 ASN HB3 . 10273 1 819 . 1 1 66 66 ASN HD21 H 1 7.378 0.030 . 2 . . . . 66 ASN HD21 . 10273 1 820 . 1 1 66 66 ASN HD22 H 1 7.076 0.030 . 2 . . . . 66 ASN HD22 . 10273 1 821 . 1 1 66 66 ASN C C 13 171.088 0.300 . 1 . . . . 66 ASN C . 10273 1 822 . 1 1 66 66 ASN CA C 13 47.732 0.300 . 1 . . . . 66 ASN CA . 10273 1 823 . 1 1 66 66 ASN CB C 13 39.365 0.300 . 1 . . . . 66 ASN CB . 10273 1 824 . 1 1 66 66 ASN N N 15 118.616 0.300 . 1 . . . . 66 ASN N . 10273 1 825 . 1 1 66 66 ASN ND2 N 15 113.091 0.300 . 1 . . . . 66 ASN ND2 . 10273 1 826 . 1 1 67 67 PRO HA H 1 4.408 0.030 . 1 . . . . 67 PRO HA . 10273 1 827 . 1 1 67 67 PRO HB2 H 1 0.588 0.030 . 2 . . . . 67 PRO HB2 . 10273 1 828 . 1 1 67 67 PRO HB3 H 1 -0.572 0.030 . 2 . . . . 67 PRO HB3 . 10273 1 829 . 1 1 67 67 PRO HD2 H 1 3.395 0.030 . 2 . . . . 67 PRO HD2 . 10273 1 830 . 1 1 67 67 PRO HD3 H 1 3.279 0.030 . 2 . . . . 67 PRO HD3 . 10273 1 831 . 1 1 67 67 PRO HG2 H 1 1.416 0.030 . 2 . . . . 67 PRO HG2 . 10273 1 832 . 1 1 67 67 PRO HG3 H 1 1.299 0.030 . 2 . . . . 67 PRO HG3 . 10273 1 833 . 1 1 67 67 PRO C C 13 173.325 0.300 . 1 . . . . 67 PRO C . 10273 1 834 . 1 1 67 67 PRO CA C 13 60.535 0.300 . 1 . . . . 67 PRO CA . 10273 1 835 . 1 1 67 67 PRO CB C 13 31.065 0.300 . 1 . . . . 67 PRO CB . 10273 1 836 . 1 1 67 67 PRO CD C 13 47.230 0.300 . 1 . . . . 67 PRO CD . 10273 1 837 . 1 1 67 67 PRO CG C 13 20.910 0.300 . 1 . . . . 67 PRO CG . 10273 1 838 . 1 1 68 68 GLN H H 1 8.323 0.030 . 1 . . . . 68 GLN H . 10273 1 839 . 1 1 68 68 GLN HA H 1 4.295 0.030 . 1 . . . . 68 GLN HA . 10273 1 840 . 1 1 68 68 GLN HB2 H 1 2.090 0.030 . 2 . . . . 68 GLN HB2 . 10273 1 841 . 1 1 68 68 GLN HB3 H 1 1.552 0.030 . 2 . . . . 68 GLN HB3 . 10273 1 842 . 1 1 68 68 GLN HE21 H 1 7.301 0.030 . 2 . . . . 68 GLN HE21 . 10273 1 843 . 1 1 68 68 GLN HE22 H 1 7.054 0.030 . 2 . . . . 68 GLN HE22 . 10273 1 844 . 1 1 68 68 GLN HG2 H 1 2.241 0.030 . 2 . . . . 68 GLN HG2 . 10273 1 845 . 1 1 68 68 GLN HG3 H 1 2.111 0.030 . 2 . . . . 68 GLN HG3 . 10273 1 846 . 1 1 68 68 GLN C C 13 172.005 0.300 . 1 . . . . 68 GLN C . 10273 1 847 . 1 1 68 68 GLN CA C 13 51.805 0.300 . 1 . . . . 68 GLN CA . 10273 1 848 . 1 1 68 68 GLN CB C 13 30.014 0.300 . 1 . . . . 68 GLN CB . 10273 1 849 . 1 1 68 68 GLN CG C 13 32.115 0.300 . 1 . . . . 68 GLN CG . 10273 1 850 . 1 1 68 68 GLN N N 15 118.089 0.300 . 1 . . . . 68 GLN N . 10273 1 851 . 1 1 68 68 GLN NE2 N 15 112.278 0.300 . 1 . . . . 68 GLN NE2 . 10273 1 852 . 1 1 69 69 LYS H H 1 8.268 0.030 . 1 . . . . 69 LYS H . 10273 1 853 . 1 1 69 69 LYS HA H 1 4.907 0.030 . 1 . . . . 69 LYS HA . 10273 1 854 . 1 1 69 69 LYS HB2 H 1 1.326 0.030 . 2 . . . . 69 LYS HB2 . 10273 1 855 . 1 1 69 69 LYS HB3 H 1 1.276 0.030 . 2 . . . . 69 LYS HB3 . 10273 1 856 . 1 1 69 69 LYS HD2 H 1 0.848 0.030 . 1 . . . . 69 LYS HD2 . 10273 1 857 . 1 1 69 69 LYS HD3 H 1 0.848 0.030 . 1 . . . . 69 LYS HD3 . 10273 1 858 . 1 1 69 69 LYS HE2 H 1 2.000 0.030 . 2 . . . . 69 LYS HE2 . 10273 1 859 . 1 1 69 69 LYS HE3 H 1 1.956 0.030 . 2 . . . . 69 LYS HE3 . 10273 1 860 . 1 1 69 69 LYS HG2 H 1 0.925 0.030 . 2 . . . . 69 LYS HG2 . 10273 1 861 . 1 1 69 69 LYS HG3 H 1 0.840 0.030 . 2 . . . . 69 LYS HG3 . 10273 1 862 . 1 1 69 69 LYS C C 13 174.226 0.300 . 1 . . . . 69 LYS C . 10273 1 863 . 1 1 69 69 LYS CA C 13 53.598 0.300 . 1 . . . . 69 LYS CA . 10273 1 864 . 1 1 69 69 LYS CB C 13 30.096 0.300 . 1 . . . . 69 LYS CB . 10273 1 865 . 1 1 69 69 LYS CD C 13 26.842 0.300 . 1 . . . . 69 LYS CD . 10273 1 866 . 1 1 69 69 LYS CE C 13 38.623 0.300 . 1 . . . . 69 LYS CE . 10273 1 867 . 1 1 69 69 LYS CG C 13 22.438 0.300 . 1 . . . . 69 LYS CG . 10273 1 868 . 1 1 69 69 LYS N N 15 125.766 0.300 . 1 . . . . 69 LYS N . 10273 1 869 . 1 1 70 70 VAL H H 1 9.409 0.030 . 1 . . . . 70 VAL H . 10273 1 870 . 1 1 70 70 VAL HA H 1 4.723 0.030 . 1 . . . . 70 VAL HA . 10273 1 871 . 1 1 70 70 VAL HB H 1 2.034 0.030 . 1 . . . . 70 VAL HB . 10273 1 872 . 1 1 70 70 VAL HG11 H 1 0.572 0.030 . 1 . . . . 70 VAL HG1 . 10273 1 873 . 1 1 70 70 VAL HG12 H 1 0.572 0.030 . 1 . . . . 70 VAL HG1 . 10273 1 874 . 1 1 70 70 VAL HG13 H 1 0.572 0.030 . 1 . . . . 70 VAL HG1 . 10273 1 875 . 1 1 70 70 VAL HG21 H 1 -0.024 0.030 . 1 . . . . 70 VAL HG2 . 10273 1 876 . 1 1 70 70 VAL HG22 H 1 -0.024 0.030 . 1 . . . . 70 VAL HG2 . 10273 1 877 . 1 1 70 70 VAL HG23 H 1 -0.024 0.030 . 1 . . . . 70 VAL HG2 . 10273 1 878 . 1 1 70 70 VAL C C 13 172.498 0.300 . 1 . . . . 70 VAL C . 10273 1 879 . 1 1 70 70 VAL CA C 13 56.680 0.300 . 1 . . . . 70 VAL CA . 10273 1 880 . 1 1 70 70 VAL CB C 13 33.332 0.300 . 1 . . . . 70 VAL CB . 10273 1 881 . 1 1 70 70 VAL CG1 C 13 17.794 0.300 . 2 . . . . 70 VAL CG1 . 10273 1 882 . 1 1 70 70 VAL CG2 C 13 17.718 0.300 . 2 . . . . 70 VAL CG2 . 10273 1 883 . 1 1 70 70 VAL N N 15 120.660 0.300 . 1 . . . . 70 VAL N . 10273 1 884 . 1 1 71 71 GLY H H 1 8.445 0.030 . 1 . . . . 71 GLY H . 10273 1 885 . 1 1 71 71 GLY HA2 H 1 4.961 0.030 . 2 . . . . 71 GLY HA2 . 10273 1 886 . 1 1 71 71 GLY HA3 H 1 3.898 0.030 . 2 . . . . 71 GLY HA3 . 10273 1 887 . 1 1 71 71 GLY C C 13 172.669 0.300 . 1 . . . . 71 GLY C . 10273 1 888 . 1 1 71 71 GLY CA C 13 40.896 0.300 . 1 . . . . 71 GLY CA . 10273 1 889 . 1 1 71 71 GLY N N 15 106.755 0.300 . 1 . . . . 71 GLY N . 10273 1 890 . 1 1 72 72 LYS H H 1 8.573 0.030 . 1 . . . . 72 LYS H . 10273 1 891 . 1 1 72 72 LYS HA H 1 3.454 0.030 . 1 . . . . 72 LYS HA . 10273 1 892 . 1 1 72 72 LYS HB2 H 1 1.355 0.030 . 2 . . . . 72 LYS HB2 . 10273 1 893 . 1 1 72 72 LYS HB3 H 1 1.286 0.030 . 2 . . . . 72 LYS HB3 . 10273 1 894 . 1 1 72 72 LYS HD2 H 1 1.502 0.030 . 2 . . . . 72 LYS HD2 . 10273 1 895 . 1 1 72 72 LYS HD3 H 1 1.314 0.030 . 2 . . . . 72 LYS HD3 . 10273 1 896 . 1 1 72 72 LYS HE2 H 1 2.870 0.030 . 1 . . . . 72 LYS HE2 . 10273 1 897 . 1 1 72 72 LYS HE3 H 1 2.870 0.030 . 1 . . . . 72 LYS HE3 . 10273 1 898 . 1 1 72 72 LYS HG2 H 1 1.174 0.030 . 2 . . . . 72 LYS HG2 . 10273 1 899 . 1 1 72 72 LYS HG3 H 1 1.128 0.030 . 2 . . . . 72 LYS HG3 . 10273 1 900 . 1 1 72 72 LYS C C 13 172.853 0.300 . 1 . . . . 72 LYS C . 10273 1 901 . 1 1 72 72 LYS CA C 13 56.108 0.300 . 1 . . . . 72 LYS CA . 10273 1 902 . 1 1 72 72 LYS CB C 13 29.993 0.300 . 1 . . . . 72 LYS CB . 10273 1 903 . 1 1 72 72 LYS CD C 13 27.358 0.300 . 1 . . . . 72 LYS CD . 10273 1 904 . 1 1 72 72 LYS CE C 13 39.650 0.300 . 1 . . . . 72 LYS CE . 10273 1 905 . 1 1 72 72 LYS CG C 13 21.569 0.300 . 1 . . . . 72 LYS CG . 10273 1 906 . 1 1 72 72 LYS N N 15 114.685 0.300 . 1 . . . . 72 LYS N . 10273 1 907 . 1 1 73 73 ASP H H 1 8.517 0.030 . 1 . . . . 73 ASP H . 10273 1 908 . 1 1 73 73 ASP HA H 1 4.543 0.030 . 1 . . . . 73 ASP HA . 10273 1 909 . 1 1 73 73 ASP HB2 H 1 2.644 0.030 . 1 . . . . 73 ASP HB2 . 10273 1 910 . 1 1 73 73 ASP HB3 H 1 2.644 0.030 . 1 . . . . 73 ASP HB3 . 10273 1 911 . 1 1 73 73 ASP C C 13 173.041 0.300 . 1 . . . . 73 ASP C . 10273 1 912 . 1 1 73 73 ASP CA C 13 51.118 0.300 . 1 . . . . 73 ASP CA . 10273 1 913 . 1 1 73 73 ASP CB C 13 38.311 0.300 . 1 . . . . 73 ASP CB . 10273 1 914 . 1 1 73 73 ASP N N 15 115.449 0.300 . 1 . . . . 73 ASP N . 10273 1 915 . 1 1 74 74 HIS H H 1 7.173 0.030 . 1 . . . . 74 HIS H . 10273 1 916 . 1 1 74 74 HIS HA H 1 4.084 0.030 . 1 . . . . 74 HIS HA . 10273 1 917 . 1 1 74 74 HIS HB2 H 1 3.046 0.030 . 2 . . . . 74 HIS HB2 . 10273 1 918 . 1 1 74 74 HIS HB3 H 1 2.969 0.030 . 2 . . . . 74 HIS HB3 . 10273 1 919 . 1 1 74 74 HIS HD2 H 1 6.184 0.030 . 1 . . . . 74 HIS HD2 . 10273 1 920 . 1 1 74 74 HIS HE1 H 1 7.672 0.030 . 1 . . . . 74 HIS HE1 . 10273 1 921 . 1 1 74 74 HIS C C 13 172.466 0.300 . 1 . . . . 74 HIS C . 10273 1 922 . 1 1 74 74 HIS CA C 13 55.483 0.300 . 1 . . . . 74 HIS CA . 10273 1 923 . 1 1 74 74 HIS CB C 13 29.868 0.300 . 1 . . . . 74 HIS CB . 10273 1 924 . 1 1 74 74 HIS CD2 C 13 113.851 0.300 . 1 . . . . 74 HIS CD2 . 10273 1 925 . 1 1 74 74 HIS CE1 C 13 137.578 0.300 . 1 . . . . 74 HIS CE1 . 10273 1 926 . 1 1 74 74 HIS N N 15 120.387 0.300 . 1 . . . . 74 HIS N . 10273 1 927 . 1 1 75 75 THR H H 1 7.573 0.030 . 1 . . . . 75 THR H . 10273 1 928 . 1 1 75 75 THR HA H 1 3.562 0.030 . 1 . . . . 75 THR HA . 10273 1 929 . 1 1 75 75 THR HB H 1 3.650 0.030 . 1 . . . . 75 THR HB . 10273 1 930 . 1 1 75 75 THR HG21 H 1 0.829 0.030 . 1 . . . . 75 THR HG2 . 10273 1 931 . 1 1 75 75 THR HG22 H 1 0.829 0.030 . 1 . . . . 75 THR HG2 . 10273 1 932 . 1 1 75 75 THR HG23 H 1 0.829 0.030 . 1 . . . . 75 THR HG2 . 10273 1 933 . 1 1 75 75 THR C C 13 170.555 0.300 . 1 . . . . 75 THR C . 10273 1 934 . 1 1 75 75 THR CA C 13 61.656 0.300 . 1 . . . . 75 THR CA . 10273 1 935 . 1 1 75 75 THR CB C 13 66.449 0.300 . 1 . . . . 75 THR CB . 10273 1 936 . 1 1 75 75 THR CG2 C 13 18.982 0.300 . 1 . . . . 75 THR CG2 . 10273 1 937 . 1 1 75 75 THR N N 15 123.519 0.300 . 1 . . . . 75 THR N . 10273 1 938 . 1 1 76 76 LEU H H 1 8.300 0.030 . 1 . . . . 76 LEU H . 10273 1 939 . 1 1 76 76 LEU HA H 1 4.187 0.030 . 1 . . . . 76 LEU HA . 10273 1 940 . 1 1 76 76 LEU HB2 H 1 1.759 0.030 . 2 . . . . 76 LEU HB2 . 10273 1 941 . 1 1 76 76 LEU HB3 H 1 1.496 0.030 . 2 . . . . 76 LEU HB3 . 10273 1 942 . 1 1 76 76 LEU HD11 H 1 0.545 0.030 . 1 . . . . 76 LEU HD1 . 10273 1 943 . 1 1 76 76 LEU HD12 H 1 0.545 0.030 . 1 . . . . 76 LEU HD1 . 10273 1 944 . 1 1 76 76 LEU HD13 H 1 0.545 0.030 . 1 . . . . 76 LEU HD1 . 10273 1 945 . 1 1 76 76 LEU HD21 H 1 0.851 0.030 . 1 . . . . 76 LEU HD2 . 10273 1 946 . 1 1 76 76 LEU HD22 H 1 0.851 0.030 . 1 . . . . 76 LEU HD2 . 10273 1 947 . 1 1 76 76 LEU HD23 H 1 0.851 0.030 . 1 . . . . 76 LEU HD2 . 10273 1 948 . 1 1 76 76 LEU HG H 1 1.623 0.030 . 1 . . . . 76 LEU HG . 10273 1 949 . 1 1 76 76 LEU C C 13 174.153 0.300 . 1 . . . . 76 LEU C . 10273 1 950 . 1 1 76 76 LEU CA C 13 52.201 0.300 . 1 . . . . 76 LEU CA . 10273 1 951 . 1 1 76 76 LEU CB C 13 40.188 0.300 . 1 . . . . 76 LEU CB . 10273 1 952 . 1 1 76 76 LEU CD1 C 13 23.399 0.300 . 2 . . . . 76 LEU CD1 . 10273 1 953 . 1 1 76 76 LEU CD2 C 13 22.260 0.300 . 2 . . . . 76 LEU CD2 . 10273 1 954 . 1 1 76 76 LEU CG C 13 25.029 0.300 . 1 . . . . 76 LEU CG . 10273 1 955 . 1 1 76 76 LEU N N 15 127.705 0.300 . 1 . . . . 76 LEU N . 10273 1 956 . 1 1 77 77 GLU H H 1 9.006 0.030 . 1 . . . . 77 GLU H . 10273 1 957 . 1 1 77 77 GLU HA H 1 4.295 0.030 . 1 . . . . 77 GLU HA . 10273 1 958 . 1 1 77 77 GLU HB2 H 1 2.031 0.030 . 2 . . . . 77 GLU HB2 . 10273 1 959 . 1 1 77 77 GLU HB3 H 1 1.723 0.030 . 2 . . . . 77 GLU HB3 . 10273 1 960 . 1 1 77 77 GLU HG2 H 1 2.037 0.030 . 2 . . . . 77 GLU HG2 . 10273 1 961 . 1 1 77 77 GLU HG3 H 1 1.992 0.030 . 2 . . . . 77 GLU HG3 . 10273 1 962 . 1 1 77 77 GLU C C 13 172.035 0.300 . 1 . . . . 77 GLU C . 10273 1 963 . 1 1 77 77 GLU CA C 13 51.734 0.300 . 1 . . . . 77 GLU CA . 10273 1 964 . 1 1 77 77 GLU CB C 13 30.671 0.300 . 1 . . . . 77 GLU CB . 10273 1 965 . 1 1 77 77 GLU CG C 13 34.177 0.300 . 1 . . . . 77 GLU CG . 10273 1 966 . 1 1 77 77 GLU N N 15 120.330 0.300 . 1 . . . . 77 GLU N . 10273 1 967 . 1 1 78 78 ASP H H 1 8.375 0.030 . 1 . . . . 78 ASP H . 10273 1 968 . 1 1 78 78 ASP HA H 1 4.289 0.030 . 1 . . . . 78 ASP HA . 10273 1 969 . 1 1 78 78 ASP HB2 H 1 2.695 0.030 . 1 . . . . 78 ASP HB2 . 10273 1 970 . 1 1 78 78 ASP HB3 H 1 2.695 0.030 . 1 . . . . 78 ASP HB3 . 10273 1 971 . 1 1 78 78 ASP C C 13 174.522 0.300 . 1 . . . . 78 ASP C . 10273 1 972 . 1 1 78 78 ASP CA C 13 54.779 0.300 . 1 . . . . 78 ASP CA . 10273 1 973 . 1 1 78 78 ASP CB C 13 39.200 0.300 . 1 . . . . 78 ASP CB . 10273 1 974 . 1 1 78 78 ASP N N 15 116.751 0.300 . 1 . . . . 78 ASP N . 10273 1 975 . 1 1 79 79 GLU H H 1 9.867 0.030 . 1 . . . . 79 GLU H . 10273 1 976 . 1 1 79 79 GLU HA H 1 3.685 0.030 . 1 . . . . 79 GLU HA . 10273 1 977 . 1 1 79 79 GLU HB2 H 1 2.718 0.030 . 2 . . . . 79 GLU HB2 . 10273 1 978 . 1 1 79 79 GLU HB3 H 1 2.431 0.030 . 2 . . . . 79 GLU HB3 . 10273 1 979 . 1 1 79 79 GLU HG2 H 1 2.281 0.030 . 2 . . . . 79 GLU HG2 . 10273 1 980 . 1 1 79 79 GLU HG3 H 1 1.915 0.030 . 2 . . . . 79 GLU HG3 . 10273 1 981 . 1 1 79 79 GLU C C 13 172.755 0.300 . 1 . . . . 79 GLU C . 10273 1 982 . 1 1 79 79 GLU CA C 13 57.384 0.300 . 1 . . . . 79 GLU CA . 10273 1 983 . 1 1 79 79 GLU CB C 13 24.429 0.300 . 1 . . . . 79 GLU CB . 10273 1 984 . 1 1 79 79 GLU CG C 13 36.436 0.300 . 1 . . . . 79 GLU CG . 10273 1 985 . 1 1 79 79 GLU N N 15 119.409 0.300 . 1 . . . . 79 GLU N . 10273 1 986 . 1 1 80 80 ASP H H 1 8.212 0.030 . 1 . . . . 80 ASP H . 10273 1 987 . 1 1 80 80 ASP HA H 1 4.833 0.030 . 1 . . . . 80 ASP HA . 10273 1 988 . 1 1 80 80 ASP HB2 H 1 2.875 0.030 . 2 . . . . 80 ASP HB2 . 10273 1 989 . 1 1 80 80 ASP HB3 H 1 2.383 0.030 . 2 . . . . 80 ASP HB3 . 10273 1 990 . 1 1 80 80 ASP C C 13 171.935 0.300 . 1 . . . . 80 ASP C . 10273 1 991 . 1 1 80 80 ASP CA C 13 53.900 0.300 . 1 . . . . 80 ASP CA . 10273 1 992 . 1 1 80 80 ASP CB C 13 39.633 0.300 . 1 . . . . 80 ASP CB . 10273 1 993 . 1 1 80 80 ASP N N 15 121.227 0.300 . 1 . . . . 80 ASP N . 10273 1 994 . 1 1 81 81 VAL H H 1 8.638 0.030 . 1 . . . . 81 VAL H . 10273 1 995 . 1 1 81 81 VAL HA H 1 5.055 0.030 . 1 . . . . 81 VAL HA . 10273 1 996 . 1 1 81 81 VAL HB H 1 2.205 0.030 . 1 . . . . 81 VAL HB . 10273 1 997 . 1 1 81 81 VAL HG11 H 1 0.601 0.030 . 1 . . . . 81 VAL HG1 . 10273 1 998 . 1 1 81 81 VAL HG12 H 1 0.601 0.030 . 1 . . . . 81 VAL HG1 . 10273 1 999 . 1 1 81 81 VAL HG13 H 1 0.601 0.030 . 1 . . . . 81 VAL HG1 . 10273 1 1000 . 1 1 81 81 VAL HG21 H 1 1.094 0.030 . 1 . . . . 81 VAL HG2 . 10273 1 1001 . 1 1 81 81 VAL HG22 H 1 1.094 0.030 . 1 . . . . 81 VAL HG2 . 10273 1 1002 . 1 1 81 81 VAL HG23 H 1 1.094 0.030 . 1 . . . . 81 VAL HG2 . 10273 1 1003 . 1 1 81 81 VAL C C 13 172.826 0.300 . 1 . . . . 81 VAL C . 10273 1 1004 . 1 1 81 81 VAL CA C 13 57.723 0.300 . 1 . . . . 81 VAL CA . 10273 1 1005 . 1 1 81 81 VAL CB C 13 31.767 0.300 . 1 . . . . 81 VAL CB . 10273 1 1006 . 1 1 81 81 VAL CG1 C 13 20.664 0.300 . 2 . . . . 81 VAL CG1 . 10273 1 1007 . 1 1 81 81 VAL CG2 C 13 19.576 0.300 . 2 . . . . 81 VAL CG2 . 10273 1 1008 . 1 1 81 81 VAL N N 15 118.946 0.300 . 1 . . . . 81 VAL N . 10273 1 1009 . 1 1 82 82 ILE H H 1 9.007 0.030 . 1 . . . . 82 ILE H . 10273 1 1010 . 1 1 82 82 ILE HA H 1 5.789 0.030 . 1 . . . . 82 ILE HA . 10273 1 1011 . 1 1 82 82 ILE HB H 1 1.041 0.030 . 1 . . . . 82 ILE HB . 10273 1 1012 . 1 1 82 82 ILE HD11 H 1 0.310 0.030 . 1 . . . . 82 ILE HD1 . 10273 1 1013 . 1 1 82 82 ILE HD12 H 1 0.310 0.030 . 1 . . . . 82 ILE HD1 . 10273 1 1014 . 1 1 82 82 ILE HD13 H 1 0.310 0.030 . 1 . . . . 82 ILE HD1 . 10273 1 1015 . 1 1 82 82 ILE HG12 H 1 1.454 0.030 . 2 . . . . 82 ILE HG12 . 10273 1 1016 . 1 1 82 82 ILE HG13 H 1 0.555 0.030 . 2 . . . . 82 ILE HG13 . 10273 1 1017 . 1 1 82 82 ILE HG21 H 1 0.143 0.030 . 1 . . . . 82 ILE HG2 . 10273 1 1018 . 1 1 82 82 ILE HG22 H 1 0.143 0.030 . 1 . . . . 82 ILE HG2 . 10273 1 1019 . 1 1 82 82 ILE HG23 H 1 0.143 0.030 . 1 . . . . 82 ILE HG2 . 10273 1 1020 . 1 1 82 82 ILE C C 13 170.143 0.300 . 1 . . . . 82 ILE C . 10273 1 1021 . 1 1 82 82 ILE CA C 13 55.824 0.300 . 1 . . . . 82 ILE CA . 10273 1 1022 . 1 1 82 82 ILE CB C 13 41.574 0.300 . 1 . . . . 82 ILE CB . 10273 1 1023 . 1 1 82 82 ILE CD1 C 13 13.418 0.300 . 1 . . . . 82 ILE CD1 . 10273 1 1024 . 1 1 82 82 ILE CG1 C 13 27.793 0.300 . 1 . . . . 82 ILE CG1 . 10273 1 1025 . 1 1 82 82 ILE CG2 C 13 14.384 0.300 . 1 . . . . 82 ILE CG2 . 10273 1 1026 . 1 1 82 82 ILE N N 15 124.391 0.300 . 1 . . . . 82 ILE N . 10273 1 1027 . 1 1 83 83 GLN H H 1 9.415 0.030 . 1 . . . . 83 GLN H . 10273 1 1028 . 1 1 83 83 GLN HA H 1 4.815 0.030 . 1 . . . . 83 GLN HA . 10273 1 1029 . 1 1 83 83 GLN HB2 H 1 2.243 0.030 . 1 . . . . 83 GLN HB2 . 10273 1 1030 . 1 1 83 83 GLN HB3 H 1 2.243 0.030 . 1 . . . . 83 GLN HB3 . 10273 1 1031 . 1 1 83 83 GLN HE21 H 1 7.232 0.030 . 2 . . . . 83 GLN HE21 . 10273 1 1032 . 1 1 83 83 GLN HE22 H 1 6.897 0.030 . 2 . . . . 83 GLN HE22 . 10273 1 1033 . 1 1 83 83 GLN HG2 H 1 2.644 0.030 . 2 . . . . 83 GLN HG2 . 10273 1 1034 . 1 1 83 83 GLN HG3 H 1 1.825 0.030 . 2 . . . . 83 GLN HG3 . 10273 1 1035 . 1 1 83 83 GLN C C 13 172.719 0.300 . 1 . . . . 83 GLN C . 10273 1 1036 . 1 1 83 83 GLN CA C 13 52.016 0.300 . 1 . . . . 83 GLN CA . 10273 1 1037 . 1 1 83 83 GLN CB C 13 32.094 0.300 . 1 . . . . 83 GLN CB . 10273 1 1038 . 1 1 83 83 GLN CG C 13 31.867 0.300 . 1 . . . . 83 GLN CG . 10273 1 1039 . 1 1 83 83 GLN N N 15 127.774 0.300 . 1 . . . . 83 GLN N . 10273 1 1040 . 1 1 83 83 GLN NE2 N 15 108.600 0.300 . 1 . . . . 83 GLN NE2 . 10273 1 1041 . 1 1 84 84 ILE H H 1 8.878 0.030 . 1 . . . . 84 ILE H . 10273 1 1042 . 1 1 84 84 ILE HA H 1 4.074 0.030 . 1 . . . . 84 ILE HA . 10273 1 1043 . 1 1 84 84 ILE HB H 1 2.104 0.030 . 1 . . . . 84 ILE HB . 10273 1 1044 . 1 1 84 84 ILE HD11 H 1 0.911 0.030 . 1 . . . . 84 ILE HD1 . 10273 1 1045 . 1 1 84 84 ILE HD12 H 1 0.911 0.030 . 1 . . . . 84 ILE HD1 . 10273 1 1046 . 1 1 84 84 ILE HD13 H 1 0.911 0.030 . 1 . . . . 84 ILE HD1 . 10273 1 1047 . 1 1 84 84 ILE HG12 H 1 1.660 0.030 . 1 . . . . 84 ILE HG12 . 10273 1 1048 . 1 1 84 84 ILE HG13 H 1 1.660 0.030 . 1 . . . . 84 ILE HG13 . 10273 1 1049 . 1 1 84 84 ILE HG21 H 1 0.830 0.030 . 1 . . . . 84 ILE HG2 . 10273 1 1050 . 1 1 84 84 ILE HG22 H 1 0.830 0.030 . 1 . . . . 84 ILE HG2 . 10273 1 1051 . 1 1 84 84 ILE HG23 H 1 0.830 0.030 . 1 . . . . 84 ILE HG2 . 10273 1 1052 . 1 1 84 84 ILE C C 13 173.096 0.300 . 1 . . . . 84 ILE C . 10273 1 1053 . 1 1 84 84 ILE CA C 13 57.372 0.300 . 1 . . . . 84 ILE CA . 10273 1 1054 . 1 1 84 84 ILE CB C 13 34.771 0.300 . 1 . . . . 84 ILE CB . 10273 1 1055 . 1 1 84 84 ILE CD1 C 13 8.832 0.300 . 1 . . . . 84 ILE CD1 . 10273 1 1056 . 1 1 84 84 ILE CG1 C 13 25.032 0.300 . 1 . . . . 84 ILE CG1 . 10273 1 1057 . 1 1 84 84 ILE CG2 C 13 15.308 0.300 . 1 . . . . 84 ILE CG2 . 10273 1 1058 . 1 1 84 84 ILE N N 15 126.673 0.300 . 1 . . . . 84 ILE N . 10273 1 1059 . 1 1 85 85 VAL H H 1 8.562 0.030 . 1 . . . . 85 VAL H . 10273 1 1060 . 1 1 85 85 VAL HA H 1 3.914 0.030 . 1 . . . . 85 VAL HA . 10273 1 1061 . 1 1 85 85 VAL HB H 1 0.510 0.030 . 1 . . . . 85 VAL HB . 10273 1 1062 . 1 1 85 85 VAL HG11 H 1 0.483 0.030 . 1 . . . . 85 VAL HG1 . 10273 1 1063 . 1 1 85 85 VAL HG12 H 1 0.483 0.030 . 1 . . . . 85 VAL HG1 . 10273 1 1064 . 1 1 85 85 VAL HG13 H 1 0.483 0.030 . 1 . . . . 85 VAL HG1 . 10273 1 1065 . 1 1 85 85 VAL HG21 H 1 0.453 0.030 . 1 . . . . 85 VAL HG2 . 10273 1 1066 . 1 1 85 85 VAL HG22 H 1 0.453 0.030 . 1 . . . . 85 VAL HG2 . 10273 1 1067 . 1 1 85 85 VAL HG23 H 1 0.453 0.030 . 1 . . . . 85 VAL HG2 . 10273 1 1068 . 1 1 85 85 VAL C C 13 172.438 0.300 . 1 . . . . 85 VAL C . 10273 1 1069 . 1 1 85 85 VAL CA C 13 60.112 0.300 . 1 . . . . 85 VAL CA . 10273 1 1070 . 1 1 85 85 VAL CB C 13 28.964 0.300 . 1 . . . . 85 VAL CB . 10273 1 1071 . 1 1 85 85 VAL CG1 C 13 18.756 0.300 . 2 . . . . 85 VAL CG1 . 10273 1 1072 . 1 1 85 85 VAL CG2 C 13 18.471 0.300 . 2 . . . . 85 VAL CG2 . 10273 1 1073 . 1 1 85 85 VAL N N 15 130.400 0.300 . 1 . . . . 85 VAL N . 10273 1 1074 . 1 1 86 86 LYS H H 1 8.399 0.030 . 1 . . . . 86 LYS H . 10273 1 1075 . 1 1 86 86 LYS HA H 1 4.640 0.030 . 1 . . . . 86 LYS HA . 10273 1 1076 . 1 1 86 86 LYS HB2 H 1 1.873 0.030 . 2 . . . . 86 LYS HB2 . 10273 1 1077 . 1 1 86 86 LYS HB3 H 1 1.553 0.030 . 2 . . . . 86 LYS HB3 . 10273 1 1078 . 1 1 86 86 LYS HD2 H 1 1.546 0.030 . 1 . . . . 86 LYS HD2 . 10273 1 1079 . 1 1 86 86 LYS HD3 H 1 1.546 0.030 . 1 . . . . 86 LYS HD3 . 10273 1 1080 . 1 1 86 86 LYS HE2 H 1 2.815 0.030 . 2 . . . . 86 LYS HE2 . 10273 1 1081 . 1 1 86 86 LYS HE3 H 1 2.709 0.030 . 2 . . . . 86 LYS HE3 . 10273 1 1082 . 1 1 86 86 LYS HG2 H 1 1.337 0.030 . 2 . . . . 86 LYS HG2 . 10273 1 1083 . 1 1 86 86 LYS HG3 H 1 0.951 0.030 . 2 . . . . 86 LYS HG3 . 10273 1 1084 . 1 1 86 86 LYS C C 13 174.388 0.300 . 1 . . . . 86 LYS C . 10273 1 1085 . 1 1 86 86 LYS CA C 13 53.301 0.300 . 1 . . . . 86 LYS CA . 10273 1 1086 . 1 1 86 86 LYS CB C 13 32.587 0.300 . 1 . . . . 86 LYS CB . 10273 1 1087 . 1 1 86 86 LYS CD C 13 27.242 0.300 . 1 . . . . 86 LYS CD . 10273 1 1088 . 1 1 86 86 LYS CE C 13 39.549 0.300 . 1 . . . . 86 LYS CE . 10273 1 1089 . 1 1 86 86 LYS CG C 13 23.684 0.300 . 1 . . . . 86 LYS CG . 10273 1 1090 . 1 1 86 86 LYS N N 15 126.582 0.300 . 1 . . . . 86 LYS N . 10273 1 1091 . 1 1 87 87 LYS H H 1 8.485 0.030 . 1 . . . . 87 LYS H . 10273 1 1092 . 1 1 87 87 LYS HA H 1 3.923 0.030 . 1 . . . . 87 LYS HA . 10273 1 1093 . 1 1 87 87 LYS HB2 H 1 1.756 0.030 . 2 . . . . 87 LYS HB2 . 10273 1 1094 . 1 1 87 87 LYS HB3 H 1 1.623 0.030 . 2 . . . . 87 LYS HB3 . 10273 1 1095 . 1 1 87 87 LYS HD2 H 1 1.615 0.030 . 2 . . . . 87 LYS HD2 . 10273 1 1096 . 1 1 87 87 LYS HD3 H 1 1.555 0.030 . 2 . . . . 87 LYS HD3 . 10273 1 1097 . 1 1 87 87 LYS HE2 H 1 2.912 0.030 . 2 . . . . 87 LYS HE2 . 10273 1 1098 . 1 1 87 87 LYS HE3 H 1 2.899 0.030 . 2 . . . . 87 LYS HE3 . 10273 1 1099 . 1 1 87 87 LYS HG2 H 1 1.237 0.030 . 2 . . . . 87 LYS HG2 . 10273 1 1100 . 1 1 87 87 LYS HG3 H 1 1.178 0.030 . 2 . . . . 87 LYS HG3 . 10273 1 1101 . 1 1 87 87 LYS C C 13 174.196 0.300 . 1 . . . . 87 LYS C . 10273 1 1102 . 1 1 87 87 LYS CA C 13 55.171 0.300 . 1 . . . . 87 LYS CA . 10273 1 1103 . 1 1 87 87 LYS CB C 13 31.274 0.300 . 1 . . . . 87 LYS CB . 10273 1 1104 . 1 1 87 87 LYS CD C 13 27.282 0.300 . 1 . . . . 87 LYS CD . 10273 1 1105 . 1 1 87 87 LYS CE C 13 39.878 0.300 . 1 . . . . 87 LYS CE . 10273 1 1106 . 1 1 87 87 LYS CG C 13 23.283 0.300 . 1 . . . . 87 LYS CG . 10273 1 1107 . 1 1 87 87 LYS N N 15 119.203 0.300 . 1 . . . . 87 LYS N . 10273 1 1108 . 1 1 89 89 GLY HA2 H 1 4.034 0.030 . 1 . . . . 89 GLY HA2 . 10273 1 1109 . 1 1 89 89 GLY HA3 H 1 4.034 0.030 . 1 . . . . 89 GLY HA3 . 10273 1 1110 . 1 1 89 89 GLY CA C 13 42.366 0.300 . 1 . . . . 89 GLY CA . 10273 1 1111 . 1 1 90 90 PRO HA H 1 4.369 0.030 . 1 . . . . 90 PRO HA . 10273 1 1112 . 1 1 90 90 PRO HB2 H 1 2.195 0.030 . 2 . . . . 90 PRO HB2 . 10273 1 1113 . 1 1 90 90 PRO HB3 H 1 1.874 0.030 . 2 . . . . 90 PRO HB3 . 10273 1 1114 . 1 1 90 90 PRO HD2 H 1 3.539 0.030 . 2 . . . . 90 PRO HD2 . 10273 1 1115 . 1 1 90 90 PRO HD3 H 1 3.513 0.030 . 2 . . . . 90 PRO HD3 . 10273 1 1116 . 1 1 90 90 PRO HG2 H 1 1.919 0.030 . 1 . . . . 90 PRO HG2 . 10273 1 1117 . 1 1 90 90 PRO HG3 H 1 1.919 0.030 . 1 . . . . 90 PRO HG3 . 10273 1 1118 . 1 1 90 90 PRO CA C 13 61.070 0.300 . 1 . . . . 90 PRO CA . 10273 1 1119 . 1 1 90 90 PRO CB C 13 29.818 0.300 . 1 . . . . 90 PRO CB . 10273 1 1120 . 1 1 90 90 PRO CD C 13 47.423 0.300 . 1 . . . . 90 PRO CD . 10273 1 1121 . 1 1 90 90 PRO CG C 13 24.794 0.300 . 1 . . . . 90 PRO CG . 10273 1 stop_ save_