data_11256 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11256 _Entry.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain of Mouse Ubiquitin Specific Protease 14 (USP14) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11256 2 T. Tomizawa . . . 11256 3 S. Koshiba . . . 11256 4 M. Inoue . . . 11256 5 T. Kigawa . . . 11256 6 S. Yokoyama . . . 11256 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11256 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11256 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 408 11256 '15N chemical shifts' 96 11256 '1H chemical shifts' 634 11256 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-17 2010-08-09 original author . 11256 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WGG 'BMRB Entry Tracking System' 11256 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11256 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain of Mouse Ubiquitin Specific Protease 14 (USP14) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11256 1 2 T. Tomizawa . . . 11256 1 3 S. Koshiba . . . 11256 1 4 M. Inoue . . . 11256 1 5 T. Kigawa . . . 11256 1 6 S. Yokoyama . . . 11256 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11256 _Assembly.ID 1 _Assembly.Name 'Ubiquitin carboxyl-terminal hydrolase 14' _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 E.C.3.1.2.15 _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 'ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11256 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wgg . . . . . . 11256 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11256 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGYSVTVKWGKEKFE GVELNTDEPPMVFKAQLFAL TGVQPARQKVMVKGGTLKDD DWGNIKMKNGMTVLMMGSAD ALPEEPSAKTSGPSSG ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1WGG . "Solution Structure Of The N-Terminal Ubiquitin-Like Domain Of Mouse Ubiquitin Specific Protease 14 (Usp14)" . . . . . 100.00 96 100.00 100.00 7.19e-61 . . . . 11256 1 2 no DBJ BAA93551 . "deubiquitinating enzyme [Mus musculus]" . . . . . 86.46 493 100.00 100.00 1.31e-49 . . . . 11256 1 3 no DBJ BAB27544 . "unnamed protein product [Mus musculus]" . . . . . 86.46 493 100.00 100.00 1.48e-49 . . . . 11256 1 4 no DBJ BAC26713 . "unnamed protein product [Mus musculus]" . . . . . 86.46 493 100.00 100.00 1.48e-49 . . . . 11256 1 5 no DBJ BAC32528 . "unnamed protein product [Mus musculus]" . . . . . 86.46 493 100.00 100.00 1.48e-49 . . . . 11256 1 6 no DBJ BAE89403 . "unnamed protein product [Macaca fascicularis]" . . . . . 53.13 447 100.00 100.00 1.32e-25 . . . . 11256 1 7 no GB AAB60365 . "tRNA-Guanine Transglycosylase [Homo sapiens]" . . . . . 86.46 494 97.59 100.00 1.02e-48 . . . . 11256 1 8 no GB AAH03556 . "Ubiquitin specific peptidase 14 (tRNA-guanine transglycosylase) [Homo sapiens]" . . . . . 86.46 494 97.59 100.00 1.02e-48 . . . . 11256 1 9 no GB AAH05571 . "Ubiquitin specific peptidase 14 [Mus musculus]" . . . . . 86.46 493 100.00 100.00 1.48e-49 . . . . 11256 1 10 no GB AAH50197 . "Ubiquitin specific peptidase 14 [Mus musculus]" . . . . . 64.58 458 100.00 100.00 1.37e-34 . . . . 11256 1 11 no GB AAH85947 . "Ubiquitin specific peptidase 14 [Rattus norvegicus]" . . . . . 86.46 493 100.00 100.00 1.14e-49 . . . . 11256 1 12 no REF NP_001008302 . "ubiquitin carboxyl-terminal hydrolase 14 [Rattus norvegicus]" . . . . . 86.46 493 100.00 100.00 1.14e-49 . . . . 11256 1 13 no REF NP_001032411 . "ubiquitin carboxyl-terminal hydrolase 14 isoform b [Homo sapiens]" . . . . . 64.58 459 98.39 100.00 2.89e-34 . . . . 11256 1 14 no REF NP_001033678 . "ubiquitin carboxyl-terminal hydrolase 14 isoform 2 [Mus musculus]" . . . . . 64.58 458 100.00 100.00 1.37e-34 . . . . 11256 1 15 no REF NP_001038961 . "ubiquitin carboxyl-terminal hydrolase 14 [Pan troglodytes]" . . . . . 86.46 493 97.59 100.00 1.06e-48 . . . . 11256 1 16 no REF NP_001068657 . "ubiquitin carboxyl-terminal hydrolase 14 [Bos taurus]" . . . . . 86.46 494 100.00 100.00 1.11e-49 . . . . 11256 1 17 no SP P54578 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" . . . . . 86.46 494 97.59 100.00 1.02e-48 . . . . 11256 1 18 no SP P60051 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" . . . . . 86.46 493 97.59 100.00 1.06e-48 . . . . 11256 1 19 no SP Q0IIF7 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" . . . . . 86.46 494 100.00 100.00 1.11e-49 . . . . 11256 1 20 no SP Q9JMA1 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 14; AltName: Full=Deubiquitinating enzyme 14; AltName: Full=Ubiquitin thioe" . . . . . 86.46 493 100.00 100.00 1.48e-49 . . . . 11256 1 21 no TPG DAA15782 . "TPA: ubiquitin carboxyl-terminal hydrolase 14 [Bos taurus]" . . . . . 86.46 494 100.00 100.00 1.11e-49 . . . . 11256 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11256 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 . 11256 1 2 . SER . 11256 1 3 . SER . 11256 1 4 . GLY . 11256 1 5 . SER . 11256 1 6 . SER . 11256 1 7 . GLY . 11256 1 8 . TYR . 11256 1 9 . SER . 11256 1 10 . VAL . 11256 1 11 . THR . 11256 1 12 . VAL . 11256 1 13 . LYS . 11256 1 14 . TRP . 11256 1 15 . GLY . 11256 1 16 . LYS . 11256 1 17 . GLU . 11256 1 18 . LYS . 11256 1 19 . PHE . 11256 1 20 . GLU . 11256 1 21 . GLY . 11256 1 22 . VAL . 11256 1 23 . GLU . 11256 1 24 . LEU . 11256 1 25 . ASN . 11256 1 26 . THR . 11256 1 27 . ASP . 11256 1 28 . GLU . 11256 1 29 . PRO . 11256 1 30 . PRO . 11256 1 31 . MET . 11256 1 32 . VAL . 11256 1 33 . PHE . 11256 1 34 . LYS . 11256 1 35 . ALA . 11256 1 36 . GLN . 11256 1 37 . LEU . 11256 1 38 . PHE . 11256 1 39 . ALA . 11256 1 40 . LEU . 11256 1 41 . THR . 11256 1 42 . GLY . 11256 1 43 . VAL . 11256 1 44 . GLN . 11256 1 45 . PRO . 11256 1 46 . ALA . 11256 1 47 . ARG . 11256 1 48 . GLN . 11256 1 49 . LYS . 11256 1 50 . VAL . 11256 1 51 . MET . 11256 1 52 . VAL . 11256 1 53 . LYS . 11256 1 54 . GLY . 11256 1 55 . GLY . 11256 1 56 . THR . 11256 1 57 . LEU . 11256 1 58 . LYS . 11256 1 59 . ASP . 11256 1 60 . ASP . 11256 1 61 . ASP . 11256 1 62 . TRP . 11256 1 63 . GLY . 11256 1 64 . ASN . 11256 1 65 . ILE . 11256 1 66 . LYS . 11256 1 67 . MET . 11256 1 68 . LYS . 11256 1 69 . ASN . 11256 1 70 . GLY . 11256 1 71 . MET . 11256 1 72 . THR . 11256 1 73 . VAL . 11256 1 74 . LEU . 11256 1 75 . MET . 11256 1 76 . MET . 11256 1 77 . GLY . 11256 1 78 . SER . 11256 1 79 . ALA . 11256 1 80 . ASP . 11256 1 81 . ALA . 11256 1 82 . LEU . 11256 1 83 . PRO . 11256 1 84 . GLU . 11256 1 85 . GLU . 11256 1 86 . PRO . 11256 1 87 . SER . 11256 1 88 . ALA . 11256 1 89 . LYS . 11256 1 90 . THR . 11256 1 91 . SER . 11256 1 92 . GLY . 11256 1 93 . PRO . 11256 1 94 . SER . 11256 1 95 . SER . 11256 1 96 . GLY . 11256 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 11256 1 . SER 2 2 11256 1 . SER 3 3 11256 1 . GLY 4 4 11256 1 . SER 5 5 11256 1 . SER 6 6 11256 1 . GLY 7 7 11256 1 . TYR 8 8 11256 1 . SER 9 9 11256 1 . VAL 10 10 11256 1 . THR 11 11 11256 1 . VAL 12 12 11256 1 . LYS 13 13 11256 1 . TRP 14 14 11256 1 . GLY 15 15 11256 1 . LYS 16 16 11256 1 . GLU 17 17 11256 1 . LYS 18 18 11256 1 . PHE 19 19 11256 1 . GLU 20 20 11256 1 . GLY 21 21 11256 1 . VAL 22 22 11256 1 . GLU 23 23 11256 1 . LEU 24 24 11256 1 . ASN 25 25 11256 1 . THR 26 26 11256 1 . ASP 27 27 11256 1 . GLU 28 28 11256 1 . PRO 29 29 11256 1 . PRO 30 30 11256 1 . MET 31 31 11256 1 . VAL 32 32 11256 1 . PHE 33 33 11256 1 . LYS 34 34 11256 1 . ALA 35 35 11256 1 . GLN 36 36 11256 1 . LEU 37 37 11256 1 . PHE 38 38 11256 1 . ALA 39 39 11256 1 . LEU 40 40 11256 1 . THR 41 41 11256 1 . GLY 42 42 11256 1 . VAL 43 43 11256 1 . GLN 44 44 11256 1 . PRO 45 45 11256 1 . ALA 46 46 11256 1 . ARG 47 47 11256 1 . GLN 48 48 11256 1 . LYS 49 49 11256 1 . VAL 50 50 11256 1 . MET 51 51 11256 1 . VAL 52 52 11256 1 . LYS 53 53 11256 1 . GLY 54 54 11256 1 . GLY 55 55 11256 1 . THR 56 56 11256 1 . LEU 57 57 11256 1 . LYS 58 58 11256 1 . ASP 59 59 11256 1 . ASP 60 60 11256 1 . ASP 61 61 11256 1 . TRP 62 62 11256 1 . GLY 63 63 11256 1 . ASN 64 64 11256 1 . ILE 65 65 11256 1 . LYS 66 66 11256 1 . MET 67 67 11256 1 . LYS 68 68 11256 1 . ASN 69 69 11256 1 . GLY 70 70 11256 1 . MET 71 71 11256 1 . THR 72 72 11256 1 . VAL 73 73 11256 1 . LEU 74 74 11256 1 . MET 75 75 11256 1 . MET 76 76 11256 1 . GLY 77 77 11256 1 . SER 78 78 11256 1 . ALA 79 79 11256 1 . ASP 80 80 11256 1 . ALA 81 81 11256 1 . LEU 82 82 11256 1 . PRO 83 83 11256 1 . GLU 84 84 11256 1 . GLU 85 85 11256 1 . PRO 86 86 11256 1 . SER 87 87 11256 1 . ALA 88 88 11256 1 . LYS 89 89 11256 1 . THR 90 90 11256 1 . SER 91 91 11256 1 . GLY 92 92 11256 1 . PRO 93 93 11256 1 . SER 94 94 11256 1 . SER 95 95 11256 1 . GLY 96 96 11256 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 11256 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11256 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 11256 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P0302212-91 . . . . . . 11256 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11256 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM PiNa {(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain' . . . 1 $entity_1 . protein . . . mM . . . . 11256 1 2 PiNa 'natural abundance' . . . . . buffer 20 . . mM . . . . 11256 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11256 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11256 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11256 1 6 H2O . . . . . . solvent 90 . . % . . . . 11256 1 7 D2O . . . . . . solvent 10 . . % . . . . 11256 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 11256 _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 11256 1 pH 6.0 0.05 pH 11256 1 pressure 1 0.001 atm 11256 1 temperature 298.0 0.1 K 11256 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11256 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11256 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11256 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11256 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11256 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11256 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11256 _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.' . . 11256 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11256 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11256 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11256 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11256 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11256 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11256 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11256 5 'structure solution' 11256 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 11256 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11256 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11256 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 11256 _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 . . . . . . . . . . . . . . . . 11256 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11256 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 11256 _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 . . . . . . . . . 11256 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11256 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11256 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 11256 _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 11256 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11256 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11256 1 2 $NMRPipe . . 11256 1 3 $NMRview . . 11256 1 4 $Kujira . . 11256 1 5 $CYANA . . 11256 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.551 0.030 . 1 . . . . 2 SER HA . 11256 1 2 . 1 1 2 2 SER HB2 H 1 3.899 0.030 . 1 . . . . 2 SER HB2 . 11256 1 3 . 1 1 2 2 SER HB3 H 1 3.899 0.030 . 1 . . . . 2 SER HB3 . 11256 1 4 . 1 1 2 2 SER C C 13 174.843 0.300 . 1 . . . . 2 SER C . 11256 1 5 . 1 1 2 2 SER CA C 13 58.447 0.300 . 1 . . . . 2 SER CA . 11256 1 6 . 1 1 2 2 SER CB C 13 63.844 0.300 . 1 . . . . 2 SER CB . 11256 1 7 . 1 1 3 3 SER H H 1 8.605 0.030 . 1 . . . . 3 SER H . 11256 1 8 . 1 1 3 3 SER HA H 1 4.503 0.030 . 1 . . . . 3 SER HA . 11256 1 9 . 1 1 3 3 SER HB2 H 1 3.887 0.030 . 1 . . . . 3 SER HB2 . 11256 1 10 . 1 1 3 3 SER HB3 H 1 3.887 0.030 . 1 . . . . 3 SER HB3 . 11256 1 11 . 1 1 3 3 SER C C 13 175.045 0.300 . 1 . . . . 3 SER C . 11256 1 12 . 1 1 3 3 SER CA C 13 58.623 0.300 . 1 . . . . 3 SER CA . 11256 1 13 . 1 1 3 3 SER CB C 13 63.844 0.300 . 1 . . . . 3 SER CB . 11256 1 14 . 1 1 3 3 SER N N 15 118.082 0.300 . 1 . . . . 3 SER N . 11256 1 15 . 1 1 4 4 GLY H H 1 8.428 0.030 . 1 . . . . 4 GLY H . 11256 1 16 . 1 1 4 4 GLY HA2 H 1 3.953 0.030 . 2 . . . . 4 GLY HA2 . 11256 1 17 . 1 1 4 4 GLY HA3 H 1 4.036 0.030 . 2 . . . . 4 GLY HA3 . 11256 1 18 . 1 1 4 4 GLY C C 13 174.364 0.300 . 1 . . . . 4 GLY C . 11256 1 19 . 1 1 4 4 GLY CA C 13 45.392 0.300 . 1 . . . . 4 GLY CA . 11256 1 20 . 1 1 4 4 GLY N N 15 111.041 0.300 . 1 . . . . 4 GLY N . 11256 1 21 . 1 1 5 5 SER H H 1 8.269 0.030 . 1 . . . . 5 SER H . 11256 1 22 . 1 1 5 5 SER HA H 1 4.478 0.030 . 1 . . . . 5 SER HA . 11256 1 23 . 1 1 5 5 SER HB2 H 1 3.826 0.030 . 1 . . . . 5 SER HB2 . 11256 1 24 . 1 1 5 5 SER HB3 H 1 3.826 0.030 . 1 . . . . 5 SER HB3 . 11256 1 25 . 1 1 5 5 SER C C 13 174.644 0.300 . 1 . . . . 5 SER C . 11256 1 26 . 1 1 5 5 SER CA C 13 58.377 0.300 . 1 . . . . 5 SER CA . 11256 1 27 . 1 1 5 5 SER CB C 13 63.885 0.300 . 1 . . . . 5 SER CB . 11256 1 28 . 1 1 5 5 SER N N 15 115.879 0.300 . 1 . . . . 5 SER N . 11256 1 29 . 1 1 6 6 SER H H 1 8.268 0.030 . 1 . . . . 6 SER H . 11256 1 30 . 1 1 6 6 SER HA H 1 4.430 0.030 . 1 . . . . 6 SER HA . 11256 1 31 . 1 1 6 6 SER HB2 H 1 3.790 0.030 . 1 . . . . 6 SER HB2 . 11256 1 32 . 1 1 6 6 SER HB3 H 1 3.790 0.030 . 1 . . . . 6 SER HB3 . 11256 1 33 . 1 1 6 6 SER C C 13 173.272 0.300 . 1 . . . . 6 SER C . 11256 1 34 . 1 1 6 6 SER CA C 13 57.954 0.300 . 1 . . . . 6 SER CA . 11256 1 35 . 1 1 6 6 SER CB C 13 63.967 0.300 . 1 . . . . 6 SER CB . 11256 1 36 . 1 1 6 6 SER N N 15 117.747 0.300 . 1 . . . . 6 SER N . 11256 1 37 . 1 1 7 7 GLY H H 1 7.746 0.030 . 1 . . . . 7 GLY H . 11256 1 38 . 1 1 7 7 GLY HA2 H 1 4.406 0.030 . 2 . . . . 7 GLY HA2 . 11256 1 39 . 1 1 7 7 GLY HA3 H 1 3.561 0.030 . 2 . . . . 7 GLY HA3 . 11256 1 40 . 1 1 7 7 GLY C C 13 172.920 0.300 . 1 . . . . 7 GLY C . 11256 1 41 . 1 1 7 7 GLY CA C 13 44.776 0.300 . 1 . . . . 7 GLY CA . 11256 1 42 . 1 1 7 7 GLY N N 15 109.205 0.300 . 1 . . . . 7 GLY N . 11256 1 43 . 1 1 8 8 TYR H H 1 8.674 0.030 . 1 . . . . 8 TYR H . 11256 1 44 . 1 1 8 8 TYR HA H 1 4.961 0.030 . 1 . . . . 8 TYR HA . 11256 1 45 . 1 1 8 8 TYR HB2 H 1 2.674 0.030 . 2 . . . . 8 TYR HB2 . 11256 1 46 . 1 1 8 8 TYR HB3 H 1 2.376 0.030 . 2 . . . . 8 TYR HB3 . 11256 1 47 . 1 1 8 8 TYR HD1 H 1 6.725 0.030 . 1 . . . . 8 TYR HD1 . 11256 1 48 . 1 1 8 8 TYR HD2 H 1 6.725 0.030 . 1 . . . . 8 TYR HD2 . 11256 1 49 . 1 1 8 8 TYR HE1 H 1 6.573 0.030 . 1 . . . . 8 TYR HE1 . 11256 1 50 . 1 1 8 8 TYR HE2 H 1 6.573 0.030 . 1 . . . . 8 TYR HE2 . 11256 1 51 . 1 1 8 8 TYR C C 13 174.620 0.300 . 1 . . . . 8 TYR C . 11256 1 52 . 1 1 8 8 TYR CA C 13 56.828 0.300 . 1 . . . . 8 TYR CA . 11256 1 53 . 1 1 8 8 TYR CB C 13 42.010 0.300 . 1 . . . . 8 TYR CB . 11256 1 54 . 1 1 8 8 TYR CD1 C 13 132.775 0.300 . 1 . . . . 8 TYR CD1 . 11256 1 55 . 1 1 8 8 TYR CD2 C 13 132.775 0.300 . 1 . . . . 8 TYR CD2 . 11256 1 56 . 1 1 8 8 TYR CE1 C 13 118.398 0.300 . 1 . . . . 8 TYR CE1 . 11256 1 57 . 1 1 8 8 TYR CE2 C 13 118.398 0.300 . 1 . . . . 8 TYR CE2 . 11256 1 58 . 1 1 8 8 TYR N N 15 120.282 0.300 . 1 . . . . 8 TYR N . 11256 1 59 . 1 1 9 9 SER H H 1 8.549 0.030 . 1 . . . . 9 SER H . 11256 1 60 . 1 1 9 9 SER HA H 1 5.130 0.030 . 1 . . . . 9 SER HA . 11256 1 61 . 1 1 9 9 SER HB2 H 1 3.675 0.030 . 2 . . . . 9 SER HB2 . 11256 1 62 . 1 1 9 9 SER HB3 H 1 3.597 0.030 . 2 . . . . 9 SER HB3 . 11256 1 63 . 1 1 9 9 SER C C 13 174.741 0.300 . 1 . . . . 9 SER C . 11256 1 64 . 1 1 9 9 SER CA C 13 56.618 0.300 . 1 . . . . 9 SER CA . 11256 1 65 . 1 1 9 9 SER CB C 13 64.337 0.300 . 1 . . . . 9 SER CB . 11256 1 66 . 1 1 9 9 SER N N 15 116.585 0.300 . 1 . . . . 9 SER N . 11256 1 67 . 1 1 10 10 VAL H H 1 9.451 0.030 . 1 . . . . 10 VAL H . 11256 1 68 . 1 1 10 10 VAL HA H 1 4.961 0.030 . 1 . . . . 10 VAL HA . 11256 1 69 . 1 1 10 10 VAL HB H 1 2.492 0.030 . 1 . . . . 10 VAL HB . 11256 1 70 . 1 1 10 10 VAL HG11 H 1 0.794 0.030 . 1 . . . . 10 VAL HG1 . 11256 1 71 . 1 1 10 10 VAL HG12 H 1 0.794 0.030 . 1 . . . . 10 VAL HG1 . 11256 1 72 . 1 1 10 10 VAL HG13 H 1 0.794 0.030 . 1 . . . . 10 VAL HG1 . 11256 1 73 . 1 1 10 10 VAL HG21 H 1 0.760 0.030 . 1 . . . . 10 VAL HG2 . 11256 1 74 . 1 1 10 10 VAL HG22 H 1 0.760 0.030 . 1 . . . . 10 VAL HG2 . 11256 1 75 . 1 1 10 10 VAL HG23 H 1 0.760 0.030 . 1 . . . . 10 VAL HG2 . 11256 1 76 . 1 1 10 10 VAL C C 13 174.353 0.300 . 1 . . . . 10 VAL C . 11256 1 77 . 1 1 10 10 VAL CA C 13 59.415 0.300 . 1 . . . . 10 VAL CA . 11256 1 78 . 1 1 10 10 VAL CB C 13 35.144 0.300 . 1 . . . . 10 VAL CB . 11256 1 79 . 1 1 10 10 VAL CG1 C 13 22.219 0.300 . 2 . . . . 10 VAL CG1 . 11256 1 80 . 1 1 10 10 VAL CG2 C 13 18.030 0.300 . 2 . . . . 10 VAL CG2 . 11256 1 81 . 1 1 10 10 VAL N N 15 119.733 0.300 . 1 . . . . 10 VAL N . 11256 1 82 . 1 1 11 11 THR H H 1 8.550 0.030 . 1 . . . . 11 THR H . 11256 1 83 . 1 1 11 11 THR HA H 1 5.324 0.030 . 1 . . . . 11 THR HA . 11256 1 84 . 1 1 11 11 THR HB H 1 4.080 0.030 . 1 . . . . 11 THR HB . 11256 1 85 . 1 1 11 11 THR HG21 H 1 1.153 0.030 . 1 . . . . 11 THR HG2 . 11256 1 86 . 1 1 11 11 THR HG22 H 1 1.153 0.030 . 1 . . . . 11 THR HG2 . 11256 1 87 . 1 1 11 11 THR HG23 H 1 1.153 0.030 . 1 . . . . 11 THR HG2 . 11256 1 88 . 1 1 11 11 THR C C 13 173.892 0.300 . 1 . . . . 11 THR C . 11256 1 89 . 1 1 11 11 THR CA C 13 61.385 0.300 . 1 . . . . 11 THR CA . 11256 1 90 . 1 1 11 11 THR CB C 13 70.579 0.300 . 1 . . . . 11 THR CB . 11256 1 91 . 1 1 11 11 THR CG2 C 13 22.612 0.300 . 1 . . . . 11 THR CG2 . 11256 1 92 . 1 1 11 11 THR N N 15 117.148 0.300 . 1 . . . . 11 THR N . 11256 1 93 . 1 1 12 12 VAL H H 1 9.410 0.030 . 1 . . . . 12 VAL H . 11256 1 94 . 1 1 12 12 VAL HA H 1 5.251 0.030 . 1 . . . . 12 VAL HA . 11256 1 95 . 1 1 12 12 VAL HB H 1 2.190 0.030 . 1 . . . . 12 VAL HB . 11256 1 96 . 1 1 12 12 VAL HG11 H 1 0.917 0.030 . 1 . . . . 12 VAL HG1 . 11256 1 97 . 1 1 12 12 VAL HG12 H 1 0.917 0.030 . 1 . . . . 12 VAL HG1 . 11256 1 98 . 1 1 12 12 VAL HG13 H 1 0.917 0.030 . 1 . . . . 12 VAL HG1 . 11256 1 99 . 1 1 12 12 VAL HG21 H 1 1.017 0.030 . 1 . . . . 12 VAL HG2 . 11256 1 100 . 1 1 12 12 VAL HG22 H 1 1.017 0.030 . 1 . . . . 12 VAL HG2 . 11256 1 101 . 1 1 12 12 VAL HG23 H 1 1.017 0.030 . 1 . . . . 12 VAL HG2 . 11256 1 102 . 1 1 12 12 VAL C C 13 174.915 0.300 . 1 . . . . 12 VAL C . 11256 1 103 . 1 1 12 12 VAL CA C 13 60.540 0.300 . 1 . . . . 12 VAL CA . 11256 1 104 . 1 1 12 12 VAL CB C 13 34.567 0.300 . 1 . . . . 12 VAL CB . 11256 1 105 . 1 1 12 12 VAL CG1 C 13 20.468 0.300 . 2 . . . . 12 VAL CG1 . 11256 1 106 . 1 1 12 12 VAL CG2 C 13 22.135 0.300 . 2 . . . . 12 VAL CG2 . 11256 1 107 . 1 1 12 12 VAL N N 15 126.765 0.300 . 1 . . . . 12 VAL N . 11256 1 108 . 1 1 13 13 LYS H H 1 9.077 0.030 . 1 . . . . 13 LYS H . 11256 1 109 . 1 1 13 13 LYS HA H 1 5.142 0.030 . 1 . . . . 13 LYS HA . 11256 1 110 . 1 1 13 13 LYS HB2 H 1 2.040 0.030 . 2 . . . . 13 LYS HB2 . 11256 1 111 . 1 1 13 13 LYS HB3 H 1 1.665 0.030 . 2 . . . . 13 LYS HB3 . 11256 1 112 . 1 1 13 13 LYS HE2 H 1 2.945 0.030 . 1 . . . . 13 LYS HE2 . 11256 1 113 . 1 1 13 13 LYS HE3 H 1 2.945 0.030 . 1 . . . . 13 LYS HE3 . 11256 1 114 . 1 1 13 13 LYS HG2 H 1 1.324 0.030 . 2 . . . . 13 LYS HG2 . 11256 1 115 . 1 1 13 13 LYS HG3 H 1 1.443 0.030 . 2 . . . . 13 LYS HG3 . 11256 1 116 . 1 1 13 13 LYS C C 13 174.305 0.300 . 1 . . . . 13 LYS C . 11256 1 117 . 1 1 13 13 LYS CA C 13 55.227 0.300 . 1 . . . . 13 LYS CA . 11256 1 118 . 1 1 13 13 LYS CB C 13 34.897 0.300 . 1 . . . . 13 LYS CB . 11256 1 119 . 1 1 13 13 LYS CD C 13 29.304 0.300 . 1 . . . . 13 LYS CD . 11256 1 120 . 1 1 13 13 LYS CE C 13 41.969 0.300 . 1 . . . . 13 LYS CE . 11256 1 121 . 1 1 13 13 LYS CG C 13 25.578 0.300 . 1 . . . . 13 LYS CG . 11256 1 122 . 1 1 13 13 LYS N N 15 127.790 0.300 . 1 . . . . 13 LYS N . 11256 1 123 . 1 1 14 14 TRP H H 1 8.465 0.030 . 1 . . . . 14 TRP H . 11256 1 124 . 1 1 14 14 TRP HA H 1 5.639 0.030 . 1 . . . . 14 TRP HA . 11256 1 125 . 1 1 14 14 TRP HB2 H 1 3.343 0.030 . 2 . . . . 14 TRP HB2 . 11256 1 126 . 1 1 14 14 TRP HB3 H 1 2.945 0.030 . 2 . . . . 14 TRP HB3 . 11256 1 127 . 1 1 14 14 TRP HD1 H 1 7.642 0.030 . 1 . . . . 14 TRP HD1 . 11256 1 128 . 1 1 14 14 TRP HE1 H 1 10.351 0.030 . 1 . . . . 14 TRP HE1 . 11256 1 129 . 1 1 14 14 TRP HE3 H 1 7.607 0.030 . 1 . . . . 14 TRP HE3 . 11256 1 130 . 1 1 14 14 TRP HH2 H 1 7.323 0.030 . 1 . . . . 14 TRP HH2 . 11256 1 131 . 1 1 14 14 TRP HZ2 H 1 7.390 0.030 . 1 . . . . 14 TRP HZ2 . 11256 1 132 . 1 1 14 14 TRP HZ3 H 1 7.385 0.030 . 1 . . . . 14 TRP HZ3 . 11256 1 133 . 1 1 14 14 TRP C C 13 175.458 0.300 . 1 . . . . 14 TRP C . 11256 1 134 . 1 1 14 14 TRP CA C 13 55.439 0.300 . 1 . . . . 14 TRP CA . 11256 1 135 . 1 1 14 14 TRP CB C 13 30.250 0.300 . 1 . . . . 14 TRP CB . 11256 1 136 . 1 1 14 14 TRP CD1 C 13 126.759 0.300 . 1 . . . . 14 TRP CD1 . 11256 1 137 . 1 1 14 14 TRP CE3 C 13 119.989 0.300 . 1 . . . . 14 TRP CE3 . 11256 1 138 . 1 1 14 14 TRP CH2 C 13 125.421 0.300 . 1 . . . . 14 TRP CH2 . 11256 1 139 . 1 1 14 14 TRP CZ2 C 13 115.037 0.300 . 1 . . . . 14 TRP CZ2 . 11256 1 140 . 1 1 14 14 TRP CZ3 C 13 121.984 0.300 . 1 . . . . 14 TRP CZ3 . 11256 1 141 . 1 1 14 14 TRP N N 15 126.748 0.300 . 1 . . . . 14 TRP N . 11256 1 142 . 1 1 14 14 TRP NE1 N 15 129.484 0.300 . 1 . . . . 14 TRP NE1 . 11256 1 143 . 1 1 15 15 GLY H H 1 9.288 0.030 . 1 . . . . 15 GLY H . 11256 1 144 . 1 1 15 15 GLY HA2 H 1 3.494 0.030 . 2 . . . . 15 GLY HA2 . 11256 1 145 . 1 1 15 15 GLY HA3 H 1 3.599 0.030 . 2 . . . . 15 GLY HA3 . 11256 1 146 . 1 1 15 15 GLY C C 13 175.463 0.300 . 1 . . . . 15 GLY C . 11256 1 147 . 1 1 15 15 GLY CA C 13 46.924 0.300 . 1 . . . . 15 GLY CA . 11256 1 148 . 1 1 15 15 GLY N N 15 117.542 0.300 . 1 . . . . 15 GLY N . 11256 1 149 . 1 1 16 16 LYS H H 1 8.949 0.030 . 1 . . . . 16 LYS H . 11256 1 150 . 1 1 16 16 LYS HA H 1 4.309 0.030 . 1 . . . . 16 LYS HA . 11256 1 151 . 1 1 16 16 LYS HB2 H 1 1.892 0.030 . 2 . . . . 16 LYS HB2 . 11256 1 152 . 1 1 16 16 LYS HB3 H 1 1.711 0.030 . 2 . . . . 16 LYS HB3 . 11256 1 153 . 1 1 16 16 LYS HD2 H 1 1.641 0.030 . 1 . . . . 16 LYS HD2 . 11256 1 154 . 1 1 16 16 LYS HD3 H 1 1.641 0.030 . 1 . . . . 16 LYS HD3 . 11256 1 155 . 1 1 16 16 LYS HE2 H 1 2.945 0.030 . 1 . . . . 16 LYS HE2 . 11256 1 156 . 1 1 16 16 LYS HE3 H 1 2.945 0.030 . 1 . . . . 16 LYS HE3 . 11256 1 157 . 1 1 16 16 LYS HG2 H 1 1.351 0.030 . 1 . . . . 16 LYS HG2 . 11256 1 158 . 1 1 16 16 LYS HG3 H 1 1.351 0.030 . 1 . . . . 16 LYS HG3 . 11256 1 159 . 1 1 16 16 LYS C C 13 176.562 0.300 . 1 . . . . 16 LYS C . 11256 1 160 . 1 1 16 16 LYS CA C 13 56.424 0.300 . 1 . . . . 16 LYS CA . 11256 1 161 . 1 1 16 16 LYS CB C 13 32.511 0.300 . 1 . . . . 16 LYS CB . 11256 1 162 . 1 1 16 16 LYS CD C 13 29.140 0.300 . 1 . . . . 16 LYS CD . 11256 1 163 . 1 1 16 16 LYS CE C 13 42.051 0.300 . 1 . . . . 16 LYS CE . 11256 1 164 . 1 1 16 16 LYS CG C 13 24.676 0.300 . 1 . . . . 16 LYS CG . 11256 1 165 . 1 1 16 16 LYS N N 15 127.208 0.300 . 1 . . . . 16 LYS N . 11256 1 166 . 1 1 17 17 GLU H H 1 8.385 0.030 . 1 . . . . 17 GLU H . 11256 1 167 . 1 1 17 17 GLU HA H 1 4.382 0.030 . 1 . . . . 17 GLU HA . 11256 1 168 . 1 1 17 17 GLU HB2 H 1 2.287 0.030 . 2 . . . . 17 GLU HB2 . 11256 1 169 . 1 1 17 17 GLU HB3 H 1 1.883 0.030 . 2 . . . . 17 GLU HB3 . 11256 1 170 . 1 1 17 17 GLU HG2 H 1 2.195 0.030 . 2 . . . . 17 GLU HG2 . 11256 1 171 . 1 1 17 17 GLU HG3 H 1 2.441 0.030 . 2 . . . . 17 GLU HG3 . 11256 1 172 . 1 1 17 17 GLU C C 13 175.688 0.300 . 1 . . . . 17 GLU C . 11256 1 173 . 1 1 17 17 GLU CA C 13 55.175 0.300 . 1 . . . . 17 GLU CA . 11256 1 174 . 1 1 17 17 GLU CB C 13 31.032 0.300 . 1 . . . . 17 GLU CB . 11256 1 175 . 1 1 17 17 GLU CG C 13 35.308 0.300 . 1 . . . . 17 GLU CG . 11256 1 176 . 1 1 17 17 GLU N N 15 120.383 0.300 . 1 . . . . 17 GLU N . 11256 1 177 . 1 1 18 18 LYS H H 1 8.369 0.030 . 1 . . . . 18 LYS H . 11256 1 178 . 1 1 18 18 LYS HA H 1 5.129 0.030 . 1 . . . . 18 LYS HA . 11256 1 179 . 1 1 18 18 LYS HB2 H 1 1.521 0.030 . 2 . . . . 18 LYS HB2 . 11256 1 180 . 1 1 18 18 LYS HB3 H 1 1.649 0.030 . 2 . . . . 18 LYS HB3 . 11256 1 181 . 1 1 18 18 LYS HE2 H 1 2.921 0.030 . 1 . . . . 18 LYS HE2 . 11256 1 182 . 1 1 18 18 LYS HE3 H 1 2.921 0.030 . 1 . . . . 18 LYS HE3 . 11256 1 183 . 1 1 18 18 LYS HG2 H 1 1.230 0.030 . 2 . . . . 18 LYS HG2 . 11256 1 184 . 1 1 18 18 LYS HG3 H 1 1.142 0.030 . 2 . . . . 18 LYS HG3 . 11256 1 185 . 1 1 18 18 LYS C C 13 174.187 0.300 . 1 . . . . 18 LYS C . 11256 1 186 . 1 1 18 18 LYS CA C 13 55.139 0.300 . 1 . . . . 18 LYS CA . 11256 1 187 . 1 1 18 18 LYS CB C 13 35.478 0.300 . 1 . . . . 18 LYS CB . 11256 1 188 . 1 1 18 18 LYS CD C 13 29.387 0.300 . 1 . . . . 18 LYS CD . 11256 1 189 . 1 1 18 18 LYS CE C 13 41.722 0.300 . 1 . . . . 18 LYS CE . 11256 1 190 . 1 1 18 18 LYS CG C 13 24.929 0.300 . 1 . . . . 18 LYS CG . 11256 1 191 . 1 1 18 18 LYS N N 15 122.561 0.300 . 1 . . . . 18 LYS N . 11256 1 192 . 1 1 19 19 PHE H H 1 9.460 0.030 . 1 . . . . 19 PHE H . 11256 1 193 . 1 1 19 19 PHE HA H 1 4.865 0.030 . 1 . . . . 19 PHE HA . 11256 1 194 . 1 1 19 19 PHE HB2 H 1 3.187 0.030 . 2 . . . . 19 PHE HB2 . 11256 1 195 . 1 1 19 19 PHE HB3 H 1 2.848 0.030 . 2 . . . . 19 PHE HB3 . 11256 1 196 . 1 1 19 19 PHE HD1 H 1 7.242 0.030 . 1 . . . . 19 PHE HD1 . 11256 1 197 . 1 1 19 19 PHE HD2 H 1 7.242 0.030 . 1 . . . . 19 PHE HD2 . 11256 1 198 . 1 1 19 19 PHE HE1 H 1 7.372 0.030 . 1 . . . . 19 PHE HE1 . 11256 1 199 . 1 1 19 19 PHE HE2 H 1 7.372 0.030 . 1 . . . . 19 PHE HE2 . 11256 1 200 . 1 1 19 19 PHE HZ H 1 7.436 0.030 . 1 . . . . 19 PHE HZ . 11256 1 201 . 1 1 19 19 PHE C C 13 174.663 0.300 . 1 . . . . 19 PHE C . 11256 1 202 . 1 1 19 19 PHE CA C 13 56.336 0.300 . 1 . . . . 19 PHE CA . 11256 1 203 . 1 1 19 19 PHE CB C 13 40.115 0.300 . 1 . . . . 19 PHE CB . 11256 1 204 . 1 1 19 19 PHE CD1 C 13 132.339 0.300 . 1 . . . . 19 PHE CD1 . 11256 1 205 . 1 1 19 19 PHE CD2 C 13 132.339 0.300 . 1 . . . . 19 PHE CD2 . 11256 1 206 . 1 1 19 19 PHE CE1 C 13 130.974 0.300 . 1 . . . . 19 PHE CE1 . 11256 1 207 . 1 1 19 19 PHE CE2 C 13 130.974 0.300 . 1 . . . . 19 PHE CE2 . 11256 1 208 . 1 1 19 19 PHE CZ C 13 129.432 0.300 . 1 . . . . 19 PHE CZ . 11256 1 209 . 1 1 19 19 PHE N N 15 125.411 0.300 . 1 . . . . 19 PHE N . 11256 1 210 . 1 1 20 20 GLU H H 1 8.939 0.030 . 1 . . . . 20 GLU H . 11256 1 211 . 1 1 20 20 GLU HA H 1 4.768 0.030 . 1 . . . . 20 GLU HA . 11256 1 212 . 1 1 20 20 GLU HB2 H 1 2.081 0.030 . 2 . . . . 20 GLU HB2 . 11256 1 213 . 1 1 20 20 GLU HB3 H 1 1.922 0.030 . 2 . . . . 20 GLU HB3 . 11256 1 214 . 1 1 20 20 GLU HG2 H 1 2.245 0.030 . 1 . . . . 20 GLU HG2 . 11256 1 215 . 1 1 20 20 GLU HG3 H 1 2.245 0.030 . 1 . . . . 20 GLU HG3 . 11256 1 216 . 1 1 20 20 GLU C C 13 177.487 0.300 . 1 . . . . 20 GLU C . 11256 1 217 . 1 1 20 20 GLU CA C 13 55.755 0.300 . 1 . . . . 20 GLU CA . 11256 1 218 . 1 1 20 20 GLU CB C 13 31.813 0.300 . 1 . . . . 20 GLU CB . 11256 1 219 . 1 1 20 20 GLU CG C 13 37.117 0.300 . 1 . . . . 20 GLU CG . 11256 1 220 . 1 1 20 20 GLU N N 15 122.419 0.300 . 1 . . . . 20 GLU N . 11256 1 221 . 1 1 21 21 GLY H H 1 8.846 0.030 . 1 . . . . 21 GLY H . 11256 1 222 . 1 1 21 21 GLY HA2 H 1 3.713 0.030 . 2 . . . . 21 GLY HA2 . 11256 1 223 . 1 1 21 21 GLY HA3 H 1 3.808 0.030 . 2 . . . . 21 GLY HA3 . 11256 1 224 . 1 1 21 21 GLY C C 13 175.142 0.300 . 1 . . . . 21 GLY C . 11256 1 225 . 1 1 21 21 GLY CA C 13 47.169 0.300 . 1 . . . . 21 GLY CA . 11256 1 226 . 1 1 21 21 GLY N N 15 112.133 0.300 . 1 . . . . 21 GLY N . 11256 1 227 . 1 1 22 22 VAL H H 1 8.880 0.030 . 1 . . . . 22 VAL H . 11256 1 228 . 1 1 22 22 VAL HA H 1 3.814 0.030 . 1 . . . . 22 VAL HA . 11256 1 229 . 1 1 22 22 VAL HB H 1 2.027 0.030 . 1 . . . . 22 VAL HB . 11256 1 230 . 1 1 22 22 VAL HG11 H 1 0.923 0.030 . 1 . . . . 22 VAL HG1 . 11256 1 231 . 1 1 22 22 VAL HG12 H 1 0.923 0.030 . 1 . . . . 22 VAL HG1 . 11256 1 232 . 1 1 22 22 VAL HG13 H 1 0.923 0.030 . 1 . . . . 22 VAL HG1 . 11256 1 233 . 1 1 22 22 VAL HG21 H 1 0.858 0.030 . 1 . . . . 22 VAL HG2 . 11256 1 234 . 1 1 22 22 VAL HG22 H 1 0.858 0.030 . 1 . . . . 22 VAL HG2 . 11256 1 235 . 1 1 22 22 VAL HG23 H 1 0.858 0.030 . 1 . . . . 22 VAL HG2 . 11256 1 236 . 1 1 22 22 VAL C C 13 175.506 0.300 . 1 . . . . 22 VAL C . 11256 1 237 . 1 1 22 22 VAL CA C 13 63.180 0.300 . 1 . . . . 22 VAL CA . 11256 1 238 . 1 1 22 22 VAL CB C 13 31.730 0.300 . 1 . . . . 22 VAL CB . 11256 1 239 . 1 1 22 22 VAL CG1 C 13 21.542 0.300 . 2 . . . . 22 VAL CG1 . 11256 1 240 . 1 1 22 22 VAL CG2 C 13 22.398 0.300 . 2 . . . . 22 VAL CG2 . 11256 1 241 . 1 1 22 22 VAL N N 15 123.240 0.300 . 1 . . . . 22 VAL N . 11256 1 242 . 1 1 23 23 GLU H H 1 8.670 0.030 . 1 . . . . 23 GLU H . 11256 1 243 . 1 1 23 23 GLU HA H 1 4.847 0.030 . 1 . . . . 23 GLU HA . 11256 1 244 . 1 1 23 23 GLU HB2 H 1 1.996 0.030 . 1 . . . . 23 GLU HB2 . 11256 1 245 . 1 1 23 23 GLU HB3 H 1 1.996 0.030 . 1 . . . . 23 GLU HB3 . 11256 1 246 . 1 1 23 23 GLU HG2 H 1 2.136 0.030 . 2 . . . . 23 GLU HG2 . 11256 1 247 . 1 1 23 23 GLU HG3 H 1 2.305 0.030 . 2 . . . . 23 GLU HG3 . 11256 1 248 . 1 1 23 23 GLU C C 13 175.499 0.300 . 1 . . . . 23 GLU C . 11256 1 249 . 1 1 23 23 GLU CA C 13 56.406 0.300 . 1 . . . . 23 GLU CA . 11256 1 250 . 1 1 23 23 GLU CB C 13 30.703 0.300 . 1 . . . . 23 GLU CB . 11256 1 251 . 1 1 23 23 GLU CG C 13 36.541 0.300 . 1 . . . . 23 GLU CG . 11256 1 252 . 1 1 23 23 GLU N N 15 128.137 0.300 . 1 . . . . 23 GLU N . 11256 1 253 . 1 1 24 24 LEU H H 1 8.783 0.030 . 1 . . . . 24 LEU H . 11256 1 254 . 1 1 24 24 LEU HA H 1 4.635 0.030 . 1 . . . . 24 LEU HA . 11256 1 255 . 1 1 24 24 LEU HB2 H 1 1.259 0.030 . 2 . . . . 24 LEU HB2 . 11256 1 256 . 1 1 24 24 LEU HB3 H 1 1.405 0.030 . 2 . . . . 24 LEU HB3 . 11256 1 257 . 1 1 24 24 LEU HD11 H 1 0.149 0.030 . 1 . . . . 24 LEU HD1 . 11256 1 258 . 1 1 24 24 LEU HD12 H 1 0.149 0.030 . 1 . . . . 24 LEU HD1 . 11256 1 259 . 1 1 24 24 LEU HD13 H 1 0.149 0.030 . 1 . . . . 24 LEU HD1 . 11256 1 260 . 1 1 24 24 LEU HD21 H 1 -0.009 0.030 . 1 . . . . 24 LEU HD2 . 11256 1 261 . 1 1 24 24 LEU HD22 H 1 -0.009 0.030 . 1 . . . . 24 LEU HD2 . 11256 1 262 . 1 1 24 24 LEU HD23 H 1 -0.009 0.030 . 1 . . . . 24 LEU HD2 . 11256 1 263 . 1 1 24 24 LEU HG H 1 1.043 0.030 . 1 . . . . 24 LEU HG . 11256 1 264 . 1 1 24 24 LEU C C 13 174.413 0.300 . 1 . . . . 24 LEU C . 11256 1 265 . 1 1 24 24 LEU CA C 13 54.823 0.300 . 1 . . . . 24 LEU CA . 11256 1 266 . 1 1 24 24 LEU CB C 13 44.973 0.300 . 1 . . . . 24 LEU CB . 11256 1 267 . 1 1 24 24 LEU CD1 C 13 25.972 0.300 . 2 . . . . 24 LEU CD1 . 11256 1 268 . 1 1 24 24 LEU CD2 C 13 26.182 0.300 . 2 . . . . 24 LEU CD2 . 11256 1 269 . 1 1 24 24 LEU CG C 13 27.018 0.300 . 1 . . . . 24 LEU CG . 11256 1 270 . 1 1 24 24 LEU N N 15 124.624 0.300 . 1 . . . . 24 LEU N . 11256 1 271 . 1 1 25 25 ASN H H 1 9.129 0.030 . 1 . . . . 25 ASN H . 11256 1 272 . 1 1 25 25 ASN HA H 1 5.348 0.030 . 1 . . . . 25 ASN HA . 11256 1 273 . 1 1 25 25 ASN HB2 H 1 3.042 0.030 . 2 . . . . 25 ASN HB2 . 11256 1 274 . 1 1 25 25 ASN HB3 H 1 2.642 0.030 . 2 . . . . 25 ASN HB3 . 11256 1 275 . 1 1 25 25 ASN HD21 H 1 7.102 0.030 . 2 . . . . 25 ASN HD21 . 11256 1 276 . 1 1 25 25 ASN HD22 H 1 7.682 0.030 . 2 . . . . 25 ASN HD22 . 11256 1 277 . 1 1 25 25 ASN C C 13 176.759 0.300 . 1 . . . . 25 ASN C . 11256 1 278 . 1 1 25 25 ASN CA C 13 51.550 0.300 . 1 . . . . 25 ASN CA . 11256 1 279 . 1 1 25 25 ASN CB C 13 40.535 0.300 . 1 . . . . 25 ASN CB . 11256 1 280 . 1 1 25 25 ASN N N 15 123.288 0.300 . 1 . . . . 25 ASN N . 11256 1 281 . 1 1 25 25 ASN ND2 N 15 112.445 0.300 . 1 . . . . 25 ASN ND2 . 11256 1 282 . 1 1 26 26 THR H H 1 8.593 0.030 . 1 . . . . 26 THR H . 11256 1 283 . 1 1 26 26 THR HA H 1 3.732 0.030 . 1 . . . . 26 THR HA . 11256 1 284 . 1 1 26 26 THR HB H 1 3.777 0.030 . 1 . . . . 26 THR HB . 11256 1 285 . 1 1 26 26 THR HG21 H 1 -0.001 0.030 . 1 . . . . 26 THR HG2 . 11256 1 286 . 1 1 26 26 THR HG22 H 1 -0.001 0.030 . 1 . . . . 26 THR HG2 . 11256 1 287 . 1 1 26 26 THR HG23 H 1 -0.001 0.030 . 1 . . . . 26 THR HG2 . 11256 1 288 . 1 1 26 26 THR C C 13 174.967 0.300 . 1 . . . . 26 THR C . 11256 1 289 . 1 1 26 26 THR CA C 13 63.074 0.300 . 1 . . . . 26 THR CA . 11256 1 290 . 1 1 26 26 THR CB C 13 67.585 0.300 . 1 . . . . 26 THR CB . 11256 1 291 . 1 1 26 26 THR CG2 C 13 21.410 0.300 . 1 . . . . 26 THR CG2 . 11256 1 292 . 1 1 26 26 THR N N 15 115.150 0.300 . 1 . . . . 26 THR N . 11256 1 293 . 1 1 27 27 ASP H H 1 8.574 0.030 . 1 . . . . 27 ASP H . 11256 1 294 . 1 1 27 27 ASP HA H 1 4.696 0.030 . 1 . . . . 27 ASP HA . 11256 1 295 . 1 1 27 27 ASP HB2 H 1 2.764 0.030 . 2 . . . . 27 ASP HB2 . 11256 1 296 . 1 1 27 27 ASP HB3 H 1 2.829 0.030 . 2 . . . . 27 ASP HB3 . 11256 1 297 . 1 1 27 27 ASP C C 13 176.295 0.300 . 1 . . . . 27 ASP C . 11256 1 298 . 1 1 27 27 ASP CA C 13 55.210 0.300 . 1 . . . . 27 ASP CA . 11256 1 299 . 1 1 27 27 ASP CB C 13 40.447 0.300 . 1 . . . . 27 ASP CB . 11256 1 300 . 1 1 27 27 ASP N N 15 121.088 0.300 . 1 . . . . 27 ASP N . 11256 1 301 . 1 1 28 28 GLU H H 1 7.486 0.030 . 1 . . . . 28 GLU H . 11256 1 302 . 1 1 28 28 GLU HA H 1 4.889 0.030 . 1 . . . . 28 GLU HA . 11256 1 303 . 1 1 28 28 GLU HB2 H 1 2.217 0.030 . 2 . . . . 28 GLU HB2 . 11256 1 304 . 1 1 28 28 GLU HB3 H 1 2.026 0.030 . 2 . . . . 28 GLU HB3 . 11256 1 305 . 1 1 28 28 GLU HG2 H 1 2.322 0.030 . 2 . . . . 28 GLU HG2 . 11256 1 306 . 1 1 28 28 GLU HG3 H 1 2.237 0.030 . 2 . . . . 28 GLU HG3 . 11256 1 307 . 1 1 28 28 GLU C C 13 173.404 0.300 . 1 . . . . 28 GLU C . 11256 1 308 . 1 1 28 28 GLU CA C 13 53.345 0.300 . 1 . . . . 28 GLU CA . 11256 1 309 . 1 1 28 28 GLU CB C 13 30.497 0.300 . 1 . . . . 28 GLU CB . 11256 1 310 . 1 1 28 28 GLU CG C 13 35.813 0.300 . 1 . . . . 28 GLU CG . 11256 1 311 . 1 1 28 28 GLU N N 15 119.314 0.300 . 1 . . . . 28 GLU N . 11256 1 312 . 1 1 29 29 PRO HA H 1 4.671 0.030 . 1 . . . . 29 PRO HA . 11256 1 313 . 1 1 29 29 PRO HB2 H 1 2.555 0.030 . 2 . . . . 29 PRO HB2 . 11256 1 314 . 1 1 29 29 PRO HB3 H 1 2.044 0.030 . 2 . . . . 29 PRO HB3 . 11256 1 315 . 1 1 29 29 PRO HD2 H 1 3.849 0.030 . 2 . . . . 29 PRO HD2 . 11256 1 316 . 1 1 29 29 PRO HD3 H 1 3.970 0.030 . 2 . . . . 29 PRO HD3 . 11256 1 317 . 1 1 29 29 PRO HG2 H 1 2.234 0.030 . 2 . . . . 29 PRO HG2 . 11256 1 318 . 1 1 29 29 PRO HG3 H 1 2.157 0.030 . 2 . . . . 29 PRO HG3 . 11256 1 319 . 1 1 29 29 PRO CA C 13 62.598 0.300 . 1 . . . . 29 PRO CA . 11256 1 320 . 1 1 29 29 PRO CB C 13 31.257 0.300 . 1 . . . . 29 PRO CB . 11256 1 321 . 1 1 29 29 PRO CD C 13 50.235 0.300 . 1 . . . . 29 PRO CD . 11256 1 322 . 1 1 29 29 PRO CG C 13 28.220 0.300 . 1 . . . . 29 PRO CG . 11256 1 323 . 1 1 30 30 PRO HA H 1 4.104 0.030 . 1 . . . . 30 PRO HA . 11256 1 324 . 1 1 30 30 PRO HB2 H 1 1.762 0.030 . 2 . . . . 30 PRO HB2 . 11256 1 325 . 1 1 30 30 PRO HB3 H 1 1.109 0.030 . 2 . . . . 30 PRO HB3 . 11256 1 326 . 1 1 30 30 PRO HD2 H 1 2.895 0.030 . 2 . . . . 30 PRO HD2 . 11256 1 327 . 1 1 30 30 PRO HD3 H 1 3.027 0.030 . 2 . . . . 30 PRO HD3 . 11256 1 328 . 1 1 30 30 PRO HG2 H 1 -0.426 0.030 . 2 . . . . 30 PRO HG2 . 11256 1 329 . 1 1 30 30 PRO HG3 H 1 1.152 0.030 . 2 . . . . 30 PRO HG3 . 11256 1 330 . 1 1 30 30 PRO C C 13 178.145 0.300 . 1 . . . . 30 PRO C . 11256 1 331 . 1 1 30 30 PRO CA C 13 64.851 0.300 . 1 . . . . 30 PRO CA . 11256 1 332 . 1 1 30 30 PRO CB C 13 31.278 0.300 . 1 . . . . 30 PRO CB . 11256 1 333 . 1 1 30 30 PRO CD C 13 50.105 0.300 . 1 . . . . 30 PRO CD . 11256 1 334 . 1 1 30 30 PRO CG C 13 25.933 0.300 . 1 . . . . 30 PRO CG . 11256 1 335 . 1 1 31 31 MET H H 1 7.857 0.030 . 1 . . . . 31 MET H . 11256 1 336 . 1 1 31 31 MET HA H 1 4.177 0.030 . 1 . . . . 31 MET HA . 11256 1 337 . 1 1 31 31 MET HB2 H 1 2.618 0.030 . 2 . . . . 31 MET HB2 . 11256 1 338 . 1 1 31 31 MET HB3 H 1 2.174 0.030 . 2 . . . . 31 MET HB3 . 11256 1 339 . 1 1 31 31 MET HE1 H 1 1.977 0.030 . 1 . . . . 31 MET HE . 11256 1 340 . 1 1 31 31 MET HE2 H 1 1.977 0.030 . 1 . . . . 31 MET HE . 11256 1 341 . 1 1 31 31 MET HE3 H 1 1.977 0.030 . 1 . . . . 31 MET HE . 11256 1 342 . 1 1 31 31 MET HG2 H 1 2.037 0.030 . 2 . . . . 31 MET HG2 . 11256 1 343 . 1 1 31 31 MET HG3 H 1 2.170 0.030 . 2 . . . . 31 MET HG3 . 11256 1 344 . 1 1 31 31 MET C C 13 177.545 0.300 . 1 . . . . 31 MET C . 11256 1 345 . 1 1 31 31 MET CA C 13 57.954 0.300 . 1 . . . . 31 MET CA . 11256 1 346 . 1 1 31 31 MET CB C 13 31.895 0.300 . 1 . . . . 31 MET CB . 11256 1 347 . 1 1 31 31 MET CE C 13 16.885 0.300 . 1 . . . . 31 MET CE . 11256 1 348 . 1 1 31 31 MET CG C 13 31.763 0.300 . 1 . . . . 31 MET CG . 11256 1 349 . 1 1 31 31 MET N N 15 113.282 0.300 . 1 . . . . 31 MET N . 11256 1 350 . 1 1 32 32 VAL H H 1 8.044 0.030 . 1 . . . . 32 VAL H . 11256 1 351 . 1 1 32 32 VAL HA H 1 3.814 0.030 . 1 . . . . 32 VAL HA . 11256 1 352 . 1 1 32 32 VAL HB H 1 2.319 0.030 . 1 . . . . 32 VAL HB . 11256 1 353 . 1 1 32 32 VAL HG11 H 1 1.103 0.030 . 1 . . . . 32 VAL HG1 . 11256 1 354 . 1 1 32 32 VAL HG12 H 1 1.103 0.030 . 1 . . . . 32 VAL HG1 . 11256 1 355 . 1 1 32 32 VAL HG13 H 1 1.103 0.030 . 1 . . . . 32 VAL HG1 . 11256 1 356 . 1 1 32 32 VAL HG21 H 1 1.194 0.030 . 1 . . . . 32 VAL HG2 . 11256 1 357 . 1 1 32 32 VAL HG22 H 1 1.194 0.030 . 1 . . . . 32 VAL HG2 . 11256 1 358 . 1 1 32 32 VAL HG23 H 1 1.194 0.030 . 1 . . . . 32 VAL HG2 . 11256 1 359 . 1 1 32 32 VAL C C 13 178.662 0.300 . 1 . . . . 32 VAL C . 11256 1 360 . 1 1 32 32 VAL CA C 13 66.804 0.300 . 1 . . . . 32 VAL CA . 11256 1 361 . 1 1 32 32 VAL CB C 13 31.854 0.300 . 1 . . . . 32 VAL CB . 11256 1 362 . 1 1 32 32 VAL CG1 C 13 21.386 0.300 . 2 . . . . 32 VAL CG1 . 11256 1 363 . 1 1 32 32 VAL CG2 C 13 23.301 0.300 . 2 . . . . 32 VAL CG2 . 11256 1 364 . 1 1 32 32 VAL N N 15 121.070 0.300 . 1 . . . . 32 VAL N . 11256 1 365 . 1 1 33 33 PHE H H 1 7.075 0.030 . 1 . . . . 33 PHE H . 11256 1 366 . 1 1 33 33 PHE HA H 1 5.054 0.030 . 1 . . . . 33 PHE HA . 11256 1 367 . 1 1 33 33 PHE HB2 H 1 3.742 0.030 . 2 . . . . 33 PHE HB2 . 11256 1 368 . 1 1 33 33 PHE HB3 H 1 3.416 0.030 . 2 . . . . 33 PHE HB3 . 11256 1 369 . 1 1 33 33 PHE HD1 H 1 7.339 0.030 . 1 . . . . 33 PHE HD1 . 11256 1 370 . 1 1 33 33 PHE HD2 H 1 7.339 0.030 . 1 . . . . 33 PHE HD2 . 11256 1 371 . 1 1 33 33 PHE HE1 H 1 7.046 0.030 . 1 . . . . 33 PHE HE1 . 11256 1 372 . 1 1 33 33 PHE HE2 H 1 7.046 0.030 . 1 . . . . 33 PHE HE2 . 11256 1 373 . 1 1 33 33 PHE HZ H 1 6.851 0.030 . 1 . . . . 33 PHE HZ . 11256 1 374 . 1 1 33 33 PHE C C 13 178.018 0.300 . 1 . . . . 33 PHE C . 11256 1 375 . 1 1 33 33 PHE CA C 13 59.696 0.300 . 1 . . . . 33 PHE CA . 11256 1 376 . 1 1 33 33 PHE CB C 13 39.296 0.300 . 1 . . . . 33 PHE CB . 11256 1 377 . 1 1 33 33 PHE CD1 C 13 131.991 0.300 . 1 . . . . 33 PHE CD1 . 11256 1 378 . 1 1 33 33 PHE CD2 C 13 131.991 0.300 . 1 . . . . 33 PHE CD2 . 11256 1 379 . 1 1 33 33 PHE CE1 C 13 130.662 0.300 . 1 . . . . 33 PHE CE1 . 11256 1 380 . 1 1 33 33 PHE CE2 C 13 130.662 0.300 . 1 . . . . 33 PHE CE2 . 11256 1 381 . 1 1 33 33 PHE CZ C 13 128.559 0.300 . 1 . . . . 33 PHE CZ . 11256 1 382 . 1 1 33 33 PHE N N 15 122.553 0.300 . 1 . . . . 33 PHE N . 11256 1 383 . 1 1 34 34 LYS H H 1 8.492 0.030 . 1 . . . . 34 LYS H . 11256 1 384 . 1 1 34 34 LYS HA H 1 3.935 0.030 . 1 . . . . 34 LYS HA . 11256 1 385 . 1 1 34 34 LYS HB2 H 1 1.626 0.030 . 2 . . . . 34 LYS HB2 . 11256 1 386 . 1 1 34 34 LYS HB3 H 1 1.895 0.030 . 2 . . . . 34 LYS HB3 . 11256 1 387 . 1 1 34 34 LYS HD2 H 1 1.539 0.030 . 1 . . . . 34 LYS HD2 . 11256 1 388 . 1 1 34 34 LYS HD3 H 1 1.539 0.030 . 1 . . . . 34 LYS HD3 . 11256 1 389 . 1 1 34 34 LYS HE2 H 1 2.453 0.030 . 2 . . . . 34 LYS HE2 . 11256 1 390 . 1 1 34 34 LYS HE3 H 1 2.614 0.030 . 2 . . . . 34 LYS HE3 . 11256 1 391 . 1 1 34 34 LYS HG2 H 1 1.411 0.030 . 2 . . . . 34 LYS HG2 . 11256 1 392 . 1 1 34 34 LYS HG3 H 1 1.351 0.030 . 2 . . . . 34 LYS HG3 . 11256 1 393 . 1 1 34 34 LYS C C 13 180.045 0.300 . 1 . . . . 34 LYS C . 11256 1 394 . 1 1 34 34 LYS CA C 13 60.365 0.300 . 1 . . . . 34 LYS CA . 11256 1 395 . 1 1 34 34 LYS CB C 13 32.512 0.300 . 1 . . . . 34 LYS CB . 11256 1 396 . 1 1 34 34 LYS CD C 13 29.738 0.300 . 1 . . . . 34 LYS CD . 11256 1 397 . 1 1 34 34 LYS CE C 13 43.053 0.300 . 1 . . . . 34 LYS CE . 11256 1 398 . 1 1 34 34 LYS CG C 13 26.701 0.300 . 1 . . . . 34 LYS CG . 11256 1 399 . 1 1 34 34 LYS N N 15 118.297 0.300 . 1 . . . . 34 LYS N . 11256 1 400 . 1 1 35 35 ALA H H 1 8.440 0.030 . 1 . . . . 35 ALA H . 11256 1 401 . 1 1 35 35 ALA HA H 1 4.165 0.030 . 1 . . . . 35 ALA HA . 11256 1 402 . 1 1 35 35 ALA HB1 H 1 1.627 0.030 . 1 . . . . 35 ALA HB . 11256 1 403 . 1 1 35 35 ALA HB2 H 1 1.627 0.030 . 1 . . . . 35 ALA HB . 11256 1 404 . 1 1 35 35 ALA HB3 H 1 1.627 0.030 . 1 . . . . 35 ALA HB . 11256 1 405 . 1 1 35 35 ALA C C 13 181.055 0.300 . 1 . . . . 35 ALA C . 11256 1 406 . 1 1 35 35 ALA CA C 13 55.737 0.300 . 1 . . . . 35 ALA CA . 11256 1 407 . 1 1 35 35 ALA CB C 13 17.380 0.300 . 1 . . . . 35 ALA CB . 11256 1 408 . 1 1 35 35 ALA N N 15 124.040 0.300 . 1 . . . . 35 ALA N . 11256 1 409 . 1 1 36 36 GLN H H 1 7.749 0.030 . 1 . . . . 36 GLN H . 11256 1 410 . 1 1 36 36 GLN HA H 1 4.202 0.030 . 1 . . . . 36 GLN HA . 11256 1 411 . 1 1 36 36 GLN HB2 H 1 2.424 0.030 . 2 . . . . 36 GLN HB2 . 11256 1 412 . 1 1 36 36 GLN HB3 H 1 2.231 0.030 . 2 . . . . 36 GLN HB3 . 11256 1 413 . 1 1 36 36 GLN HE21 H 1 7.006 0.030 . 2 . . . . 36 GLN HE21 . 11256 1 414 . 1 1 36 36 GLN HE22 H 1 7.431 0.030 . 2 . . . . 36 GLN HE22 . 11256 1 415 . 1 1 36 36 GLN HG2 H 1 2.433 0.030 . 2 . . . . 36 GLN HG2 . 11256 1 416 . 1 1 36 36 GLN HG3 H 1 2.358 0.030 . 2 . . . . 36 GLN HG3 . 11256 1 417 . 1 1 36 36 GLN C C 13 178.891 0.300 . 1 . . . . 36 GLN C . 11256 1 418 . 1 1 36 36 GLN CA C 13 58.693 0.300 . 1 . . . . 36 GLN CA . 11256 1 419 . 1 1 36 36 GLN CB C 13 28.071 0.300 . 1 . . . . 36 GLN CB . 11256 1 420 . 1 1 36 36 GLN CG C 13 34.041 0.300 . 1 . . . . 36 GLN CG . 11256 1 421 . 1 1 36 36 GLN N N 15 122.583 0.300 . 1 . . . . 36 GLN N . 11256 1 422 . 1 1 36 36 GLN NE2 N 15 110.548 0.300 . 1 . . . . 36 GLN NE2 . 11256 1 423 . 1 1 37 37 LEU H H 1 8.181 0.030 . 1 . . . . 37 LEU H . 11256 1 424 . 1 1 37 37 LEU HA H 1 3.609 0.030 . 1 . . . . 37 LEU HA . 11256 1 425 . 1 1 37 37 LEU HB2 H 1 1.951 0.030 . 2 . . . . 37 LEU HB2 . 11256 1 426 . 1 1 37 37 LEU HB3 H 1 0.834 0.030 . 2 . . . . 37 LEU HB3 . 11256 1 427 . 1 1 37 37 LEU HD11 H 1 0.328 0.030 . 1 . . . . 37 LEU HD1 . 11256 1 428 . 1 1 37 37 LEU HD12 H 1 0.328 0.030 . 1 . . . . 37 LEU HD1 . 11256 1 429 . 1 1 37 37 LEU HD13 H 1 0.328 0.030 . 1 . . . . 37 LEU HD1 . 11256 1 430 . 1 1 37 37 LEU HD21 H 1 0.349 0.030 . 1 . . . . 37 LEU HD2 . 11256 1 431 . 1 1 37 37 LEU HD22 H 1 0.349 0.030 . 1 . . . . 37 LEU HD2 . 11256 1 432 . 1 1 37 37 LEU HD23 H 1 0.349 0.030 . 1 . . . . 37 LEU HD2 . 11256 1 433 . 1 1 37 37 LEU HG H 1 1.007 0.030 . 1 . . . . 37 LEU HG . 11256 1 434 . 1 1 37 37 LEU C C 13 181.028 0.300 . 1 . . . . 37 LEU C . 11256 1 435 . 1 1 37 37 LEU CA C 13 57.673 0.300 . 1 . . . . 37 LEU CA . 11256 1 436 . 1 1 37 37 LEU CB C 13 39.707 0.300 . 1 . . . . 37 LEU CB . 11256 1 437 . 1 1 37 37 LEU CD1 C 13 24.955 0.300 . 2 . . . . 37 LEU CD1 . 11256 1 438 . 1 1 37 37 LEU CD2 C 13 23.301 0.300 . 2 . . . . 37 LEU CD2 . 11256 1 439 . 1 1 37 37 LEU CG C 13 26.087 0.300 . 1 . . . . 37 LEU CG . 11256 1 440 . 1 1 37 37 LEU N N 15 118.701 0.300 . 1 . . . . 37 LEU N . 11256 1 441 . 1 1 38 38 PHE H H 1 8.312 0.030 . 1 . . . . 38 PHE H . 11256 1 442 . 1 1 38 38 PHE HA H 1 4.288 0.030 . 1 . . . . 38 PHE HA . 11256 1 443 . 1 1 38 38 PHE HB2 H 1 3.333 0.030 . 2 . . . . 38 PHE HB2 . 11256 1 444 . 1 1 38 38 PHE HB3 H 1 3.054 0.030 . 2 . . . . 38 PHE HB3 . 11256 1 445 . 1 1 38 38 PHE HD1 H 1 6.905 0.030 . 1 . . . . 38 PHE HD1 . 11256 1 446 . 1 1 38 38 PHE HD2 H 1 6.905 0.030 . 1 . . . . 38 PHE HD2 . 11256 1 447 . 1 1 38 38 PHE HE1 H 1 7.218 0.030 . 1 . . . . 38 PHE HE1 . 11256 1 448 . 1 1 38 38 PHE HE2 H 1 7.218 0.030 . 1 . . . . 38 PHE HE2 . 11256 1 449 . 1 1 38 38 PHE C C 13 177.690 0.300 . 1 . . . . 38 PHE C . 11256 1 450 . 1 1 38 38 PHE CA C 13 58.763 0.300 . 1 . . . . 38 PHE CA . 11256 1 451 . 1 1 38 38 PHE CB C 13 38.091 0.300 . 1 . . . . 38 PHE CB . 11256 1 452 . 1 1 38 38 PHE CD1 C 13 131.293 0.300 . 1 . . . . 38 PHE CD1 . 11256 1 453 . 1 1 38 38 PHE CD2 C 13 131.293 0.300 . 1 . . . . 38 PHE CD2 . 11256 1 454 . 1 1 38 38 PHE CE1 C 13 131.352 0.300 . 1 . . . . 38 PHE CE1 . 11256 1 455 . 1 1 38 38 PHE CE2 C 13 131.352 0.300 . 1 . . . . 38 PHE CE2 . 11256 1 456 . 1 1 38 38 PHE N N 15 124.746 0.300 . 1 . . . . 38 PHE N . 11256 1 457 . 1 1 39 39 ALA H H 1 7.543 0.030 . 1 . . . . 39 ALA H . 11256 1 458 . 1 1 39 39 ALA HA H 1 3.642 0.030 . 1 . . . . 39 ALA HA . 11256 1 459 . 1 1 39 39 ALA HB1 H 1 1.410 0.030 . 1 . . . . 39 ALA HB . 11256 1 460 . 1 1 39 39 ALA HB2 H 1 1.410 0.030 . 1 . . . . 39 ALA HB . 11256 1 461 . 1 1 39 39 ALA HB3 H 1 1.410 0.030 . 1 . . . . 39 ALA HB . 11256 1 462 . 1 1 39 39 ALA C C 13 179.320 0.300 . 1 . . . . 39 ALA C . 11256 1 463 . 1 1 39 39 ALA CA C 13 54.968 0.300 . 1 . . . . 39 ALA CA . 11256 1 464 . 1 1 39 39 ALA CB C 13 17.351 0.300 . 1 . . . . 39 ALA CB . 11256 1 465 . 1 1 39 39 ALA N N 15 124.579 0.300 . 1 . . . . 39 ALA N . 11256 1 466 . 1 1 40 40 LEU H H 1 7.198 0.030 . 1 . . . . 40 LEU H . 11256 1 467 . 1 1 40 40 LEU HA H 1 3.951 0.030 . 1 . . . . 40 LEU HA . 11256 1 468 . 1 1 40 40 LEU HB2 H 1 0.518 0.030 . 2 . . . . 40 LEU HB2 . 11256 1 469 . 1 1 40 40 LEU HB3 H 1 1.182 0.030 . 2 . . . . 40 LEU HB3 . 11256 1 470 . 1 1 40 40 LEU HD11 H 1 0.433 0.030 . 1 . . . . 40 LEU HD1 . 11256 1 471 . 1 1 40 40 LEU HD12 H 1 0.433 0.030 . 1 . . . . 40 LEU HD1 . 11256 1 472 . 1 1 40 40 LEU HD13 H 1 0.433 0.030 . 1 . . . . 40 LEU HD1 . 11256 1 473 . 1 1 40 40 LEU HD21 H 1 0.616 0.030 . 1 . . . . 40 LEU HD2 . 11256 1 474 . 1 1 40 40 LEU HD22 H 1 0.616 0.030 . 1 . . . . 40 LEU HD2 . 11256 1 475 . 1 1 40 40 LEU HD23 H 1 0.616 0.030 . 1 . . . . 40 LEU HD2 . 11256 1 476 . 1 1 40 40 LEU HG H 1 1.413 0.030 . 1 . . . . 40 LEU HG . 11256 1 477 . 1 1 40 40 LEU C C 13 177.993 0.300 . 1 . . . . 40 LEU C . 11256 1 478 . 1 1 40 40 LEU CA C 13 56.811 0.300 . 1 . . . . 40 LEU CA . 11256 1 479 . 1 1 40 40 LEU CB C 13 43.367 0.300 . 1 . . . . 40 LEU CB . 11256 1 480 . 1 1 40 40 LEU CD1 C 13 24.862 0.300 . 2 . . . . 40 LEU CD1 . 11256 1 481 . 1 1 40 40 LEU CD2 C 13 22.003 0.300 . 2 . . . . 40 LEU CD2 . 11256 1 482 . 1 1 40 40 LEU CG C 13 26.139 0.300 . 1 . . . . 40 LEU CG . 11256 1 483 . 1 1 40 40 LEU N N 15 114.180 0.300 . 1 . . . . 40 LEU N . 11256 1 484 . 1 1 41 41 THR H H 1 7.334 0.030 . 1 . . . . 41 THR H . 11256 1 485 . 1 1 41 41 THR HA H 1 4.075 0.030 . 1 . . . . 41 THR HA . 11256 1 486 . 1 1 41 41 THR HB H 1 2.321 0.030 . 1 . . . . 41 THR HB . 11256 1 487 . 1 1 41 41 THR HG21 H 1 0.399 0.030 . 1 . . . . 41 THR HG2 . 11256 1 488 . 1 1 41 41 THR HG22 H 1 0.399 0.030 . 1 . . . . 41 THR HG2 . 11256 1 489 . 1 1 41 41 THR HG23 H 1 0.399 0.030 . 1 . . . . 41 THR HG2 . 11256 1 490 . 1 1 41 41 THR C C 13 175.020 0.300 . 1 . . . . 41 THR C . 11256 1 491 . 1 1 41 41 THR CA C 13 62.758 0.300 . 1 . . . . 41 THR CA . 11256 1 492 . 1 1 41 41 THR CB C 13 72.319 0.300 . 1 . . . . 41 THR CB . 11256 1 493 . 1 1 41 41 THR CG2 C 13 20.670 0.300 . 1 . . . . 41 THR CG2 . 11256 1 494 . 1 1 41 41 THR N N 15 104.337 0.300 . 1 . . . . 41 THR N . 11256 1 495 . 1 1 42 42 GLY H H 1 8.426 0.030 . 1 . . . . 42 GLY H . 11256 1 496 . 1 1 42 42 GLY HA2 H 1 4.177 0.030 . 2 . . . . 42 GLY HA2 . 11256 1 497 . 1 1 42 42 GLY HA3 H 1 3.404 0.030 . 2 . . . . 42 GLY HA3 . 11256 1 498 . 1 1 42 42 GLY C C 13 173.515 0.300 . 1 . . . . 42 GLY C . 11256 1 499 . 1 1 42 42 GLY CA C 13 45.234 0.300 . 1 . . . . 42 GLY CA . 11256 1 500 . 1 1 42 42 GLY N N 15 111.018 0.300 . 1 . . . . 42 GLY N . 11256 1 501 . 1 1 43 43 VAL H H 1 7.787 0.030 . 1 . . . . 43 VAL H . 11256 1 502 . 1 1 43 43 VAL HA H 1 3.718 0.030 . 1 . . . . 43 VAL HA . 11256 1 503 . 1 1 43 43 VAL HB H 1 1.448 0.030 . 1 . . . . 43 VAL HB . 11256 1 504 . 1 1 43 43 VAL HG11 H 1 0.615 0.030 . 1 . . . . 43 VAL HG1 . 11256 1 505 . 1 1 43 43 VAL HG12 H 1 0.615 0.030 . 1 . . . . 43 VAL HG1 . 11256 1 506 . 1 1 43 43 VAL HG13 H 1 0.615 0.030 . 1 . . . . 43 VAL HG1 . 11256 1 507 . 1 1 43 43 VAL HG21 H 1 0.349 0.030 . 1 . . . . 43 VAL HG2 . 11256 1 508 . 1 1 43 43 VAL HG22 H 1 0.349 0.030 . 1 . . . . 43 VAL HG2 . 11256 1 509 . 1 1 43 43 VAL HG23 H 1 0.349 0.030 . 1 . . . . 43 VAL HG2 . 11256 1 510 . 1 1 43 43 VAL C C 13 174.996 0.300 . 1 . . . . 43 VAL C . 11256 1 511 . 1 1 43 43 VAL CA C 13 62.617 0.300 . 1 . . . . 43 VAL CA . 11256 1 512 . 1 1 43 43 VAL CB C 13 30.703 0.300 . 1 . . . . 43 VAL CB . 11256 1 513 . 1 1 43 43 VAL CG1 C 13 21.658 0.300 . 2 . . . . 43 VAL CG1 . 11256 1 514 . 1 1 43 43 VAL CG2 C 13 21.574 0.300 . 2 . . . . 43 VAL CG2 . 11256 1 515 . 1 1 43 43 VAL N N 15 121.194 0.300 . 1 . . . . 43 VAL N . 11256 1 516 . 1 1 44 44 GLN H H 1 8.804 0.030 . 1 . . . . 44 GLN H . 11256 1 517 . 1 1 44 44 GLN HA H 1 3.305 0.030 . 1 . . . . 44 GLN HA . 11256 1 518 . 1 1 44 44 GLN HB2 H 1 1.595 0.030 . 2 . . . . 44 GLN HB2 . 11256 1 519 . 1 1 44 44 GLN HB3 H 1 1.843 0.030 . 2 . . . . 44 GLN HB3 . 11256 1 520 . 1 1 44 44 GLN HE21 H 1 6.905 0.030 . 2 . . . . 44 GLN HE21 . 11256 1 521 . 1 1 44 44 GLN HE22 H 1 7.616 0.030 . 2 . . . . 44 GLN HE22 . 11256 1 522 . 1 1 44 44 GLN HG2 H 1 2.298 0.030 . 2 . . . . 44 GLN HG2 . 11256 1 523 . 1 1 44 44 GLN HG3 H 1 2.255 0.030 . 2 . . . . 44 GLN HG3 . 11256 1 524 . 1 1 44 44 GLN C C 13 175.294 0.300 . 1 . . . . 44 GLN C . 11256 1 525 . 1 1 44 44 GLN CA C 13 55.421 0.300 . 1 . . . . 44 GLN CA . 11256 1 526 . 1 1 44 44 GLN CB C 13 26.701 0.300 . 1 . . . . 44 GLN CB . 11256 1 527 . 1 1 44 44 GLN CG C 13 33.788 0.300 . 1 . . . . 44 GLN CG . 11256 1 528 . 1 1 44 44 GLN N N 15 129.554 0.300 . 1 . . . . 44 GLN N . 11256 1 529 . 1 1 44 44 GLN NE2 N 15 111.854 0.300 . 1 . . . . 44 GLN NE2 . 11256 1 530 . 1 1 45 45 PRO HA H 1 3.814 0.030 . 1 . . . . 45 PRO HA . 11256 1 531 . 1 1 45 45 PRO HB2 H 1 2.022 0.030 . 2 . . . . 45 PRO HB2 . 11256 1 532 . 1 1 45 45 PRO HB3 H 1 1.806 0.030 . 2 . . . . 45 PRO HB3 . 11256 1 533 . 1 1 45 45 PRO HD2 H 1 3.349 0.030 . 2 . . . . 45 PRO HD2 . 11256 1 534 . 1 1 45 45 PRO HD3 H 1 3.073 0.030 . 2 . . . . 45 PRO HD3 . 11256 1 535 . 1 1 45 45 PRO HG2 H 1 1.428 0.030 . 2 . . . . 45 PRO HG2 . 11256 1 536 . 1 1 45 45 PRO HG3 H 1 2.070 0.030 . 2 . . . . 45 PRO HG3 . 11256 1 537 . 1 1 45 45 PRO C C 13 177.846 0.300 . 1 . . . . 45 PRO C . 11256 1 538 . 1 1 45 45 PRO CA C 13 66.751 0.300 . 1 . . . . 45 PRO CA . 11256 1 539 . 1 1 45 45 PRO CB C 13 32.512 0.300 . 1 . . . . 45 PRO CB . 11256 1 540 . 1 1 45 45 PRO CD C 13 49.856 0.300 . 1 . . . . 45 PRO CD . 11256 1 541 . 1 1 45 45 PRO CG C 13 27.084 0.300 . 1 . . . . 45 PRO CG . 11256 1 542 . 1 1 46 46 ALA H H 1 8.409 0.030 . 1 . . . . 46 ALA H . 11256 1 543 . 1 1 46 46 ALA HA H 1 4.128 0.030 . 1 . . . . 46 ALA HA . 11256 1 544 . 1 1 46 46 ALA HB1 H 1 1.333 0.030 . 1 . . . . 46 ALA HB . 11256 1 545 . 1 1 46 46 ALA HB2 H 1 1.333 0.030 . 1 . . . . 46 ALA HB . 11256 1 546 . 1 1 46 46 ALA HB3 H 1 1.333 0.030 . 1 . . . . 46 ALA HB . 11256 1 547 . 1 1 46 46 ALA C C 13 178.697 0.300 . 1 . . . . 46 ALA C . 11256 1 548 . 1 1 46 46 ALA CA C 13 54.224 0.300 . 1 . . . . 46 ALA CA . 11256 1 549 . 1 1 46 46 ALA CB C 13 18.806 0.300 . 1 . . . . 46 ALA CB . 11256 1 550 . 1 1 46 46 ALA N N 15 116.356 0.300 . 1 . . . . 46 ALA N . 11256 1 551 . 1 1 47 47 ARG H H 1 7.977 0.030 . 1 . . . . 47 ARG H . 11256 1 552 . 1 1 47 47 ARG HA H 1 4.309 0.030 . 1 . . . . 47 ARG HA . 11256 1 553 . 1 1 47 47 ARG HB2 H 1 2.209 0.030 . 2 . . . . 47 ARG HB2 . 11256 1 554 . 1 1 47 47 ARG HB3 H 1 1.750 0.030 . 2 . . . . 47 ARG HB3 . 11256 1 555 . 1 1 47 47 ARG HD2 H 1 3.247 0.030 . 1 . . . . 47 ARG HD2 . 11256 1 556 . 1 1 47 47 ARG HD3 H 1 3.247 0.030 . 1 . . . . 47 ARG HD3 . 11256 1 557 . 1 1 47 47 ARG HE H 1 7.403 0.030 . 1 . . . . 47 ARG HE . 11256 1 558 . 1 1 47 47 ARG HG2 H 1 1.621 0.030 . 2 . . . . 47 ARG HG2 . 11256 1 559 . 1 1 47 47 ARG HG3 H 1 1.503 0.030 . 2 . . . . 47 ARG HG3 . 11256 1 560 . 1 1 47 47 ARG C C 13 175.639 0.300 . 1 . . . . 47 ARG C . 11256 1 561 . 1 1 47 47 ARG CA C 13 55.087 0.300 . 1 . . . . 47 ARG CA . 11256 1 562 . 1 1 47 47 ARG CB C 13 30.908 0.300 . 1 . . . . 47 ARG CB . 11256 1 563 . 1 1 47 47 ARG CD C 13 42.874 0.300 . 1 . . . . 47 ARG CD . 11256 1 564 . 1 1 47 47 ARG CG C 13 27.713 0.300 . 1 . . . . 47 ARG CG . 11256 1 565 . 1 1 47 47 ARG N N 15 115.154 0.300 . 1 . . . . 47 ARG N . 11256 1 566 . 1 1 47 47 ARG NE N 15 84.453 0.300 . 1 . . . . 47 ARG NE . 11256 1 567 . 1 1 48 48 GLN H H 1 7.166 0.030 . 1 . . . . 48 GLN H . 11256 1 568 . 1 1 48 48 GLN HA H 1 4.273 0.030 . 1 . . . . 48 GLN HA . 11256 1 569 . 1 1 48 48 GLN HB2 H 1 1.944 0.030 . 2 . . . . 48 GLN HB2 . 11256 1 570 . 1 1 48 48 GLN HB3 H 1 1.648 0.030 . 2 . . . . 48 GLN HB3 . 11256 1 571 . 1 1 48 48 GLN HE21 H 1 6.413 0.030 . 2 . . . . 48 GLN HE21 . 11256 1 572 . 1 1 48 48 GLN HE22 H 1 6.741 0.030 . 2 . . . . 48 GLN HE22 . 11256 1 573 . 1 1 48 48 GLN HG2 H 1 1.857 0.030 . 2 . . . . 48 GLN HG2 . 11256 1 574 . 1 1 48 48 GLN HG3 H 1 2.306 0.030 . 2 . . . . 48 GLN HG3 . 11256 1 575 . 1 1 48 48 GLN C C 13 177.581 0.300 . 1 . . . . 48 GLN C . 11256 1 576 . 1 1 48 48 GLN CA C 13 56.019 0.300 . 1 . . . . 48 GLN CA . 11256 1 577 . 1 1 48 48 GLN CB C 13 30.785 0.300 . 1 . . . . 48 GLN CB . 11256 1 578 . 1 1 48 48 GLN CG C 13 33.029 0.300 . 1 . . . . 48 GLN CG . 11256 1 579 . 1 1 48 48 GLN N N 15 118.572 0.300 . 1 . . . . 48 GLN N . 11256 1 580 . 1 1 48 48 GLN NE2 N 15 101.576 0.300 . 1 . . . . 48 GLN NE2 . 11256 1 581 . 1 1 49 49 LYS H H 1 8.806 0.030 . 1 . . . . 49 LYS H . 11256 1 582 . 1 1 49 49 LYS HA H 1 4.515 0.030 . 1 . . . . 49 LYS HA . 11256 1 583 . 1 1 49 49 LYS HB2 H 1 1.811 0.030 . 2 . . . . 49 LYS HB2 . 11256 1 584 . 1 1 49 49 LYS HB3 H 1 1.743 0.030 . 2 . . . . 49 LYS HB3 . 11256 1 585 . 1 1 49 49 LYS HD2 H 1 1.714 0.030 . 1 . . . . 49 LYS HD2 . 11256 1 586 . 1 1 49 49 LYS HD3 H 1 1.714 0.030 . 1 . . . . 49 LYS HD3 . 11256 1 587 . 1 1 49 49 LYS HE2 H 1 2.969 0.030 . 1 . . . . 49 LYS HE2 . 11256 1 588 . 1 1 49 49 LYS HE3 H 1 2.969 0.030 . 1 . . . . 49 LYS HE3 . 11256 1 589 . 1 1 49 49 LYS HG2 H 1 1.429 0.030 . 2 . . . . 49 LYS HG2 . 11256 1 590 . 1 1 49 49 LYS HG3 H 1 1.227 0.030 . 2 . . . . 49 LYS HG3 . 11256 1 591 . 1 1 49 49 LYS C C 13 174.462 0.300 . 1 . . . . 49 LYS C . 11256 1 592 . 1 1 49 49 LYS CA C 13 56.195 0.300 . 1 . . . . 49 LYS CA . 11256 1 593 . 1 1 49 49 LYS CB C 13 33.791 0.300 . 1 . . . . 49 LYS CB . 11256 1 594 . 1 1 49 49 LYS CD C 13 29.716 0.300 . 1 . . . . 49 LYS CD . 11256 1 595 . 1 1 49 49 LYS CE C 13 42.216 0.300 . 1 . . . . 49 LYS CE . 11256 1 596 . 1 1 49 49 LYS CG C 13 25.182 0.300 . 1 . . . . 49 LYS CG . 11256 1 597 . 1 1 49 49 LYS N N 15 124.559 0.300 . 1 . . . . 49 LYS N . 11256 1 598 . 1 1 50 50 VAL H H 1 9.211 0.030 . 1 . . . . 50 VAL H . 11256 1 599 . 1 1 50 50 VAL HA H 1 4.752 0.030 . 1 . . . . 50 VAL HA . 11256 1 600 . 1 1 50 50 VAL HB H 1 2.016 0.030 . 1 . . . . 50 VAL HB . 11256 1 601 . 1 1 50 50 VAL HG11 H 1 0.888 0.030 . 1 . . . . 50 VAL HG1 . 11256 1 602 . 1 1 50 50 VAL HG12 H 1 0.888 0.030 . 1 . . . . 50 VAL HG1 . 11256 1 603 . 1 1 50 50 VAL HG13 H 1 0.888 0.030 . 1 . . . . 50 VAL HG1 . 11256 1 604 . 1 1 50 50 VAL HG21 H 1 0.891 0.030 . 1 . . . . 50 VAL HG2 . 11256 1 605 . 1 1 50 50 VAL HG22 H 1 0.891 0.030 . 1 . . . . 50 VAL HG2 . 11256 1 606 . 1 1 50 50 VAL HG23 H 1 0.891 0.030 . 1 . . . . 50 VAL HG2 . 11256 1 607 . 1 1 50 50 VAL C C 13 174.559 0.300 . 1 . . . . 50 VAL C . 11256 1 608 . 1 1 50 50 VAL CA C 13 61.773 0.300 . 1 . . . . 50 VAL CA . 11256 1 609 . 1 1 50 50 VAL CB C 13 32.429 0.300 . 1 . . . . 50 VAL CB . 11256 1 610 . 1 1 50 50 VAL CG1 C 13 22.904 0.300 . 2 . . . . 50 VAL CG1 . 11256 1 611 . 1 1 50 50 VAL CG2 C 13 22.904 0.300 . 2 . . . . 50 VAL CG2 . 11256 1 612 . 1 1 50 50 VAL N N 15 127.789 0.300 . 1 . . . . 50 VAL N . 11256 1 613 . 1 1 51 51 MET H H 1 9.485 0.030 . 1 . . . . 51 MET H . 11256 1 614 . 1 1 51 51 MET HA H 1 5.360 0.030 . 1 . . . . 51 MET HA . 11256 1 615 . 1 1 51 51 MET HB2 H 1 2.032 0.030 . 1 . . . . 51 MET HB2 . 11256 1 616 . 1 1 51 51 MET HB3 H 1 2.032 0.030 . 1 . . . . 51 MET HB3 . 11256 1 617 . 1 1 51 51 MET HE1 H 1 1.941 0.030 . 1 . . . . 51 MET HE . 11256 1 618 . 1 1 51 51 MET HE2 H 1 1.941 0.030 . 1 . . . . 51 MET HE . 11256 1 619 . 1 1 51 51 MET HE3 H 1 1.941 0.030 . 1 . . . . 51 MET HE . 11256 1 620 . 1 1 51 51 MET HG2 H 1 2.403 0.030 . 1 . . . . 51 MET HG2 . 11256 1 621 . 1 1 51 51 MET HG3 H 1 2.403 0.030 . 1 . . . . 51 MET HG3 . 11256 1 622 . 1 1 51 51 MET C C 13 175.555 0.300 . 1 . . . . 51 MET C . 11256 1 623 . 1 1 51 51 MET CA C 13 54.313 0.300 . 1 . . . . 51 MET CA . 11256 1 624 . 1 1 51 51 MET CB C 13 35.308 0.300 . 1 . . . . 51 MET CB . 11256 1 625 . 1 1 51 51 MET CE C 13 16.561 0.300 . 1 . . . . 51 MET CE . 11256 1 626 . 1 1 51 51 MET CG C 13 31.689 0.300 . 1 . . . . 51 MET CG . 11256 1 627 . 1 1 51 51 MET N N 15 125.647 0.300 . 1 . . . . 51 MET N . 11256 1 628 . 1 1 52 52 VAL H H 1 8.722 0.030 . 1 . . . . 52 VAL H . 11256 1 629 . 1 1 52 52 VAL HA H 1 4.466 0.030 . 1 . . . . 52 VAL HA . 11256 1 630 . 1 1 52 52 VAL HB H 1 2.136 0.030 . 1 . . . . 52 VAL HB . 11256 1 631 . 1 1 52 52 VAL HG11 H 1 1.025 0.030 . 1 . . . . 52 VAL HG1 . 11256 1 632 . 1 1 52 52 VAL HG12 H 1 1.025 0.030 . 1 . . . . 52 VAL HG1 . 11256 1 633 . 1 1 52 52 VAL HG13 H 1 1.025 0.030 . 1 . . . . 52 VAL HG1 . 11256 1 634 . 1 1 52 52 VAL HG21 H 1 0.985 0.030 . 1 . . . . 52 VAL HG2 . 11256 1 635 . 1 1 52 52 VAL HG22 H 1 0.985 0.030 . 1 . . . . 52 VAL HG2 . 11256 1 636 . 1 1 52 52 VAL HG23 H 1 0.985 0.030 . 1 . . . . 52 VAL HG2 . 11256 1 637 . 1 1 52 52 VAL C C 13 175.548 0.300 . 1 . . . . 52 VAL C . 11256 1 638 . 1 1 52 52 VAL CA C 13 60.892 0.300 . 1 . . . . 52 VAL CA . 11256 1 639 . 1 1 52 52 VAL CB C 13 34.526 0.300 . 1 . . . . 52 VAL CB . 11256 1 640 . 1 1 52 52 VAL CG1 C 13 22.422 0.300 . 2 . . . . 52 VAL CG1 . 11256 1 641 . 1 1 52 52 VAL CG2 C 13 20.916 0.300 . 2 . . . . 52 VAL CG2 . 11256 1 642 . 1 1 52 52 VAL N N 15 120.904 0.300 . 1 . . . . 52 VAL N . 11256 1 643 . 1 1 53 53 LYS H H 1 9.379 0.030 . 1 . . . . 53 LYS H . 11256 1 644 . 1 1 53 53 LYS HA H 1 3.971 0.030 . 1 . . . . 53 LYS HA . 11256 1 645 . 1 1 53 53 LYS HB2 H 1 2.100 0.030 . 2 . . . . 53 LYS HB2 . 11256 1 646 . 1 1 53 53 LYS HB3 H 1 1.810 0.030 . 2 . . . . 53 LYS HB3 . 11256 1 647 . 1 1 53 53 LYS HD2 H 1 1.750 0.030 . 1 . . . . 53 LYS HD2 . 11256 1 648 . 1 1 53 53 LYS HD3 H 1 1.750 0.030 . 1 . . . . 53 LYS HD3 . 11256 1 649 . 1 1 53 53 LYS HE2 H 1 3.054 0.030 . 1 . . . . 53 LYS HE2 . 11256 1 650 . 1 1 53 53 LYS HE3 H 1 3.054 0.030 . 1 . . . . 53 LYS HE3 . 11256 1 651 . 1 1 53 53 LYS HG2 H 1 1.533 0.030 . 2 . . . . 53 LYS HG2 . 11256 1 652 . 1 1 53 53 LYS HG3 H 1 1.494 0.030 . 2 . . . . 53 LYS HG3 . 11256 1 653 . 1 1 53 53 LYS C C 13 176.683 0.300 . 1 . . . . 53 LYS C . 11256 1 654 . 1 1 53 53 LYS CA C 13 57.584 0.300 . 1 . . . . 53 LYS CA . 11256 1 655 . 1 1 53 53 LYS CB C 13 30.751 0.300 . 1 . . . . 53 LYS CB . 11256 1 656 . 1 1 53 53 LYS CD C 13 29.304 0.300 . 1 . . . . 53 LYS CD . 11256 1 657 . 1 1 53 53 LYS CE C 13 42.133 0.300 . 1 . . . . 53 LYS CE . 11256 1 658 . 1 1 53 53 LYS CG C 13 25.439 0.300 . 1 . . . . 53 LYS CG . 11256 1 659 . 1 1 53 53 LYS N N 15 127.364 0.300 . 1 . . . . 53 LYS N . 11256 1 660 . 1 1 54 54 GLY H H 1 8.791 0.030 . 1 . . . . 54 GLY H . 11256 1 661 . 1 1 54 54 GLY HA2 H 1 3.754 0.030 . 2 . . . . 54 GLY HA2 . 11256 1 662 . 1 1 54 54 GLY HA3 H 1 4.177 0.030 . 2 . . . . 54 GLY HA3 . 11256 1 663 . 1 1 54 54 GLY C C 13 174.183 0.300 . 1 . . . . 54 GLY C . 11256 1 664 . 1 1 54 54 GLY CA C 13 45.533 0.300 . 1 . . . . 54 GLY CA . 11256 1 665 . 1 1 54 54 GLY N N 15 107.164 0.300 . 1 . . . . 54 GLY N . 11256 1 666 . 1 1 55 55 GLY H H 1 8.114 0.030 . 1 . . . . 55 GLY H . 11256 1 667 . 1 1 55 55 GLY HA2 H 1 4.450 0.030 . 2 . . . . 55 GLY HA2 . 11256 1 668 . 1 1 55 55 GLY HA3 H 1 3.839 0.030 . 2 . . . . 55 GLY HA3 . 11256 1 669 . 1 1 55 55 GLY C C 13 172.374 0.300 . 1 . . . . 55 GLY C . 11256 1 670 . 1 1 55 55 GLY CA C 13 44.407 0.300 . 1 . . . . 55 GLY CA . 11256 1 671 . 1 1 55 55 GLY N N 15 109.402 0.300 . 1 . . . . 55 GLY N . 11256 1 672 . 1 1 56 56 THR H H 1 8.404 0.030 . 1 . . . . 56 THR H . 11256 1 673 . 1 1 56 56 THR HA H 1 4.822 0.030 . 1 . . . . 56 THR HA . 11256 1 674 . 1 1 56 56 THR HB H 1 4.018 0.030 . 1 . . . . 56 THR HB . 11256 1 675 . 1 1 56 56 THR HG21 H 1 1.170 0.030 . 1 . . . . 56 THR HG2 . 11256 1 676 . 1 1 56 56 THR HG22 H 1 1.170 0.030 . 1 . . . . 56 THR HG2 . 11256 1 677 . 1 1 56 56 THR HG23 H 1 1.170 0.030 . 1 . . . . 56 THR HG2 . 11256 1 678 . 1 1 56 56 THR C C 13 174.948 0.300 . 1 . . . . 56 THR C . 11256 1 679 . 1 1 56 56 THR CA C 13 62.159 0.300 . 1 . . . . 56 THR CA . 11256 1 680 . 1 1 56 56 THR CB C 13 69.847 0.300 . 1 . . . . 56 THR CB . 11256 1 681 . 1 1 56 56 THR CG2 C 13 22.314 0.300 . 1 . . . . 56 THR CG2 . 11256 1 682 . 1 1 56 56 THR N N 15 117.306 0.300 . 1 . . . . 56 THR N . 11256 1 683 . 1 1 57 57 LEU H H 1 8.839 0.030 . 1 . . . . 57 LEU H . 11256 1 684 . 1 1 57 57 LEU HA H 1 4.334 0.030 . 1 . . . . 57 LEU HA . 11256 1 685 . 1 1 57 57 LEU HB2 H 1 1.232 0.030 . 2 . . . . 57 LEU HB2 . 11256 1 686 . 1 1 57 57 LEU HB3 H 1 1.699 0.030 . 2 . . . . 57 LEU HB3 . 11256 1 687 . 1 1 57 57 LEU HD11 H 1 0.754 0.030 . 1 . . . . 57 LEU HD1 . 11256 1 688 . 1 1 57 57 LEU HD12 H 1 0.754 0.030 . 1 . . . . 57 LEU HD1 . 11256 1 689 . 1 1 57 57 LEU HD13 H 1 0.754 0.030 . 1 . . . . 57 LEU HD1 . 11256 1 690 . 1 1 57 57 LEU HD21 H 1 0.666 0.030 . 1 . . . . 57 LEU HD2 . 11256 1 691 . 1 1 57 57 LEU HD22 H 1 0.666 0.030 . 1 . . . . 57 LEU HD2 . 11256 1 692 . 1 1 57 57 LEU HD23 H 1 0.666 0.030 . 1 . . . . 57 LEU HD2 . 11256 1 693 . 1 1 57 57 LEU HG H 1 1.654 0.030 . 1 . . . . 57 LEU HG . 11256 1 694 . 1 1 57 57 LEU C C 13 177.277 0.300 . 1 . . . . 57 LEU C . 11256 1 695 . 1 1 57 57 LEU CA C 13 55.087 0.300 . 1 . . . . 57 LEU CA . 11256 1 696 . 1 1 57 57 LEU CB C 13 43.737 0.300 . 1 . . . . 57 LEU CB . 11256 1 697 . 1 1 57 57 LEU CD1 C 13 25.680 0.300 . 2 . . . . 57 LEU CD1 . 11256 1 698 . 1 1 57 57 LEU CD2 C 13 24.525 0.300 . 2 . . . . 57 LEU CD2 . 11256 1 699 . 1 1 57 57 LEU CG C 13 26.195 0.300 . 1 . . . . 57 LEU CG . 11256 1 700 . 1 1 57 57 LEU N N 15 127.605 0.300 . 1 . . . . 57 LEU N . 11256 1 701 . 1 1 58 58 LYS H H 1 9.078 0.030 . 1 . . . . 58 LYS H . 11256 1 702 . 1 1 58 58 LYS HA H 1 4.346 0.030 . 1 . . . . 58 LYS HA . 11256 1 703 . 1 1 58 58 LYS HB2 H 1 1.942 0.030 . 2 . . . . 58 LYS HB2 . 11256 1 704 . 1 1 58 58 LYS HB3 H 1 2.119 0.030 . 2 . . . . 58 LYS HB3 . 11256 1 705 . 1 1 58 58 LYS HD2 H 1 1.736 0.030 . 1 . . . . 58 LYS HD2 . 11256 1 706 . 1 1 58 58 LYS HD3 H 1 1.736 0.030 . 1 . . . . 58 LYS HD3 . 11256 1 707 . 1 1 58 58 LYS HE2 H 1 3.030 0.030 . 1 . . . . 58 LYS HE2 . 11256 1 708 . 1 1 58 58 LYS HE3 H 1 3.030 0.030 . 1 . . . . 58 LYS HE3 . 11256 1 709 . 1 1 58 58 LYS HG2 H 1 1.479 0.030 . 2 . . . . 58 LYS HG2 . 11256 1 710 . 1 1 58 58 LYS HG3 H 1 1.663 0.030 . 2 . . . . 58 LYS HG3 . 11256 1 711 . 1 1 58 58 LYS C C 13 174.725 0.300 . 1 . . . . 58 LYS C . 11256 1 712 . 1 1 58 58 LYS CA C 13 55.737 0.300 . 1 . . . . 58 LYS CA . 11256 1 713 . 1 1 58 58 LYS CB C 13 32.522 0.300 . 1 . . . . 58 LYS CB . 11256 1 714 . 1 1 58 58 LYS CD C 13 28.893 0.300 . 1 . . . . 58 LYS CD . 11256 1 715 . 1 1 58 58 LYS CE C 13 42.216 0.300 . 1 . . . . 58 LYS CE . 11256 1 716 . 1 1 58 58 LYS CG C 13 25.439 0.300 . 1 . . . . 58 LYS CG . 11256 1 717 . 1 1 58 58 LYS N N 15 130.013 0.300 . 1 . . . . 58 LYS N . 11256 1 718 . 1 1 59 59 ASP H H 1 8.129 0.030 . 1 . . . . 59 ASP H . 11256 1 719 . 1 1 59 59 ASP HA H 1 4.225 0.030 . 1 . . . . 59 ASP HA . 11256 1 720 . 1 1 59 59 ASP HB2 H 1 2.461 0.030 . 2 . . . . 59 ASP HB2 . 11256 1 721 . 1 1 59 59 ASP HB3 H 1 2.577 0.030 . 2 . . . . 59 ASP HB3 . 11256 1 722 . 1 1 59 59 ASP C C 13 177.742 0.300 . 1 . . . . 59 ASP C . 11256 1 723 . 1 1 59 59 ASP CA C 13 57.039 0.300 . 1 . . . . 59 ASP CA . 11256 1 724 . 1 1 59 59 ASP CB C 13 41.887 0.300 . 1 . . . . 59 ASP CB . 11256 1 725 . 1 1 59 59 ASP N N 15 114.772 0.300 . 1 . . . . 59 ASP N . 11256 1 726 . 1 1 60 60 ASP H H 1 8.372 0.030 . 1 . . . . 60 ASP H . 11256 1 727 . 1 1 60 60 ASP HA H 1 4.575 0.030 . 1 . . . . 60 ASP HA . 11256 1 728 . 1 1 60 60 ASP HB2 H 1 2.692 0.030 . 1 . . . . 60 ASP HB2 . 11256 1 729 . 1 1 60 60 ASP HB3 H 1 2.692 0.030 . 1 . . . . 60 ASP HB3 . 11256 1 730 . 1 1 60 60 ASP C C 13 175.651 0.300 . 1 . . . . 60 ASP C . 11256 1 731 . 1 1 60 60 ASP CA C 13 54.612 0.300 . 1 . . . . 60 ASP CA . 11256 1 732 . 1 1 60 60 ASP CB C 13 41.640 0.300 . 1 . . . . 60 ASP CB . 11256 1 733 . 1 1 60 60 ASP N N 15 114.169 0.300 . 1 . . . . 60 ASP N . 11256 1 734 . 1 1 61 61 ASP H H 1 6.887 0.030 . 1 . . . . 61 ASP H . 11256 1 735 . 1 1 61 61 ASP HA H 1 4.768 0.030 . 1 . . . . 61 ASP HA . 11256 1 736 . 1 1 61 61 ASP HB2 H 1 2.692 0.030 . 2 . . . . 61 ASP HB2 . 11256 1 737 . 1 1 61 61 ASP HB3 H 1 2.522 0.030 . 2 . . . . 61 ASP HB3 . 11256 1 738 . 1 1 61 61 ASP C C 13 174.746 0.300 . 1 . . . . 61 ASP C . 11256 1 739 . 1 1 61 61 ASP CA C 13 53.556 0.300 . 1 . . . . 61 ASP CA . 11256 1 740 . 1 1 61 61 ASP CB C 13 44.518 0.300 . 1 . . . . 61 ASP CB . 11256 1 741 . 1 1 61 61 ASP N N 15 117.512 0.300 . 1 . . . . 61 ASP N . 11256 1 742 . 1 1 62 62 TRP H H 1 9.003 0.030 . 1 . . . . 62 TRP H . 11256 1 743 . 1 1 62 62 TRP HA H 1 4.140 0.030 . 1 . . . . 62 TRP HA . 11256 1 744 . 1 1 62 62 TRP HB2 H 1 3.573 0.030 . 2 . . . . 62 TRP HB2 . 11256 1 745 . 1 1 62 62 TRP HB3 H 1 3.114 0.030 . 2 . . . . 62 TRP HB3 . 11256 1 746 . 1 1 62 62 TRP HD1 H 1 7.424 0.030 . 1 . . . . 62 TRP HD1 . 11256 1 747 . 1 1 62 62 TRP HE1 H 1 10.420 0.030 . 1 . . . . 62 TRP HE1 . 11256 1 748 . 1 1 62 62 TRP HE3 H 1 7.437 0.030 . 1 . . . . 62 TRP HE3 . 11256 1 749 . 1 1 62 62 TRP HH2 H 1 6.571 0.030 . 1 . . . . 62 TRP HH2 . 11256 1 750 . 1 1 62 62 TRP HZ2 H 1 7.674 0.030 . 1 . . . . 62 TRP HZ2 . 11256 1 751 . 1 1 62 62 TRP HZ3 H 1 6.729 0.030 . 1 . . . . 62 TRP HZ3 . 11256 1 752 . 1 1 62 62 TRP C C 13 176.817 0.300 . 1 . . . . 62 TRP C . 11256 1 753 . 1 1 62 62 TRP CA C 13 59.573 0.300 . 1 . . . . 62 TRP CA . 11256 1 754 . 1 1 62 62 TRP CB C 13 29.222 0.300 . 1 . . . . 62 TRP CB . 11256 1 755 . 1 1 62 62 TRP CD1 C 13 127.547 0.300 . 1 . . . . 62 TRP CD1 . 11256 1 756 . 1 1 62 62 TRP CE3 C 13 120.728 0.300 . 1 . . . . 62 TRP CE3 . 11256 1 757 . 1 1 62 62 TRP CH2 C 13 124.053 0.300 . 1 . . . . 62 TRP CH2 . 11256 1 758 . 1 1 62 62 TRP CZ2 C 13 114.335 0.300 . 1 . . . . 62 TRP CZ2 . 11256 1 759 . 1 1 62 62 TRP CZ3 C 13 121.947 0.300 . 1 . . . . 62 TRP CZ3 . 11256 1 760 . 1 1 62 62 TRP N N 15 125.106 0.300 . 1 . . . . 62 TRP N . 11256 1 761 . 1 1 62 62 TRP NE1 N 15 129.415 0.300 . 1 . . . . 62 TRP NE1 . 11256 1 762 . 1 1 63 63 GLY H H 1 8.860 0.030 . 1 . . . . 63 GLY H . 11256 1 763 . 1 1 63 63 GLY HA2 H 1 3.791 0.030 . 2 . . . . 63 GLY HA2 . 11256 1 764 . 1 1 63 63 GLY HA3 H 1 3.888 0.030 . 2 . . . . 63 GLY HA3 . 11256 1 765 . 1 1 63 63 GLY C C 13 175.033 0.300 . 1 . . . . 63 GLY C . 11256 1 766 . 1 1 63 63 GLY CA C 13 46.800 0.300 . 1 . . . . 63 GLY CA . 11256 1 767 . 1 1 63 63 GLY N N 15 107.900 0.300 . 1 . . . . 63 GLY N . 11256 1 768 . 1 1 64 64 ASN H H 1 8.820 0.030 . 1 . . . . 64 ASN H . 11256 1 769 . 1 1 64 64 ASN HA H 1 4.780 0.030 . 1 . . . . 64 ASN HA . 11256 1 770 . 1 1 64 64 ASN HB2 H 1 2.834 0.030 . 2 . . . . 64 ASN HB2 . 11256 1 771 . 1 1 64 64 ASN HB3 H 1 2.928 0.030 . 2 . . . . 64 ASN HB3 . 11256 1 772 . 1 1 64 64 ASN HD21 H 1 6.911 0.030 . 2 . . . . 64 ASN HD21 . 11256 1 773 . 1 1 64 64 ASN HD22 H 1 7.593 0.030 . 2 . . . . 64 ASN HD22 . 11256 1 774 . 1 1 64 64 ASN C C 13 175.251 0.300 . 1 . . . . 64 ASN C . 11256 1 775 . 1 1 64 64 ASN CA C 13 52.764 0.300 . 1 . . . . 64 ASN CA . 11256 1 776 . 1 1 64 64 ASN CB C 13 38.227 0.300 . 1 . . . . 64 ASN CB . 11256 1 777 . 1 1 64 64 ASN N N 15 121.263 0.300 . 1 . . . . 64 ASN N . 11256 1 778 . 1 1 64 64 ASN ND2 N 15 112.341 0.300 . 1 . . . . 64 ASN ND2 . 11256 1 779 . 1 1 65 65 ILE H H 1 7.680 0.030 . 1 . . . . 65 ILE H . 11256 1 780 . 1 1 65 65 ILE HA H 1 3.959 0.030 . 1 . . . . 65 ILE HA . 11256 1 781 . 1 1 65 65 ILE HB H 1 2.136 0.030 . 1 . . . . 65 ILE HB . 11256 1 782 . 1 1 65 65 ILE HD11 H 1 0.912 0.030 . 1 . . . . 65 ILE HD1 . 11256 1 783 . 1 1 65 65 ILE HD12 H 1 0.912 0.030 . 1 . . . . 65 ILE HD1 . 11256 1 784 . 1 1 65 65 ILE HD13 H 1 0.912 0.030 . 1 . . . . 65 ILE HD1 . 11256 1 785 . 1 1 65 65 ILE HG12 H 1 1.637 0.030 . 2 . . . . 65 ILE HG12 . 11256 1 786 . 1 1 65 65 ILE HG13 H 1 1.240 0.030 . 2 . . . . 65 ILE HG13 . 11256 1 787 . 1 1 65 65 ILE HG21 H 1 0.881 0.030 . 1 . . . . 65 ILE HG2 . 11256 1 788 . 1 1 65 65 ILE HG22 H 1 0.881 0.030 . 1 . . . . 65 ILE HG2 . 11256 1 789 . 1 1 65 65 ILE HG23 H 1 0.881 0.030 . 1 . . . . 65 ILE HG2 . 11256 1 790 . 1 1 65 65 ILE C C 13 175.280 0.300 . 1 . . . . 65 ILE C . 11256 1 791 . 1 1 65 65 ILE CA C 13 61.877 0.300 . 1 . . . . 65 ILE CA . 11256 1 792 . 1 1 65 65 ILE CB C 13 38.844 0.300 . 1 . . . . 65 ILE CB . 11256 1 793 . 1 1 65 65 ILE CD1 C 13 13.463 0.300 . 1 . . . . 65 ILE CD1 . 11256 1 794 . 1 1 65 65 ILE CG1 C 13 28.042 0.300 . 1 . . . . 65 ILE CG1 . 11256 1 795 . 1 1 65 65 ILE CG2 C 13 18.028 0.300 . 1 . . . . 65 ILE CG2 . 11256 1 796 . 1 1 65 65 ILE N N 15 120.167 0.300 . 1 . . . . 65 ILE N . 11256 1 797 . 1 1 66 66 LYS H H 1 8.276 0.030 . 1 . . . . 66 LYS H . 11256 1 798 . 1 1 66 66 LYS HA H 1 4.385 0.030 . 1 . . . . 66 LYS HA . 11256 1 799 . 1 1 66 66 LYS HB2 H 1 1.689 0.030 . 1 . . . . 66 LYS HB2 . 11256 1 800 . 1 1 66 66 LYS HB3 H 1 1.689 0.030 . 1 . . . . 66 LYS HB3 . 11256 1 801 . 1 1 66 66 LYS HD2 H 1 1.645 0.030 . 1 . . . . 66 LYS HD2 . 11256 1 802 . 1 1 66 66 LYS HD3 H 1 1.645 0.030 . 1 . . . . 66 LYS HD3 . 11256 1 803 . 1 1 66 66 LYS HE2 H 1 2.981 0.030 . 1 . . . . 66 LYS HE2 . 11256 1 804 . 1 1 66 66 LYS HE3 H 1 2.981 0.030 . 1 . . . . 66 LYS HE3 . 11256 1 805 . 1 1 66 66 LYS HG2 H 1 1.354 0.030 . 2 . . . . 66 LYS HG2 . 11256 1 806 . 1 1 66 66 LYS HG3 H 1 1.408 0.030 . 2 . . . . 66 LYS HG3 . 11256 1 807 . 1 1 66 66 LYS C C 13 175.384 0.300 . 1 . . . . 66 LYS C . 11256 1 808 . 1 1 66 66 LYS CA C 13 54.471 0.300 . 1 . . . . 66 LYS CA . 11256 1 809 . 1 1 66 66 LYS CB C 13 32.265 0.300 . 1 . . . . 66 LYS CB . 11256 1 810 . 1 1 66 66 LYS CD C 13 28.729 0.300 . 1 . . . . 66 LYS CD . 11256 1 811 . 1 1 66 66 LYS CE C 13 42.380 0.300 . 1 . . . . 66 LYS CE . 11256 1 812 . 1 1 66 66 LYS CG C 13 24.423 0.300 . 1 . . . . 66 LYS CG . 11256 1 813 . 1 1 66 66 LYS N N 15 127.753 0.300 . 1 . . . . 66 LYS N . 11256 1 814 . 1 1 67 67 MET H H 1 8.086 0.030 . 1 . . . . 67 MET H . 11256 1 815 . 1 1 67 67 MET HA H 1 4.370 0.030 . 1 . . . . 67 MET HA . 11256 1 816 . 1 1 67 67 MET HB2 H 1 0.647 0.030 . 2 . . . . 67 MET HB2 . 11256 1 817 . 1 1 67 67 MET HB3 H 1 0.744 0.030 . 2 . . . . 67 MET HB3 . 11256 1 818 . 1 1 67 67 MET HE1 H 1 1.535 0.030 . 1 . . . . 67 MET HE . 11256 1 819 . 1 1 67 67 MET HE2 H 1 1.535 0.030 . 1 . . . . 67 MET HE . 11256 1 820 . 1 1 67 67 MET HE3 H 1 1.535 0.030 . 1 . . . . 67 MET HE . 11256 1 821 . 1 1 67 67 MET HG2 H 1 1.629 0.030 . 2 . . . . 67 MET HG2 . 11256 1 822 . 1 1 67 67 MET HG3 H 1 1.822 0.030 . 2 . . . . 67 MET HG3 . 11256 1 823 . 1 1 67 67 MET C C 13 174.486 0.300 . 1 . . . . 67 MET C . 11256 1 824 . 1 1 67 67 MET CA C 13 53.081 0.300 . 1 . . . . 67 MET CA . 11256 1 825 . 1 1 67 67 MET CB C 13 31.143 0.300 . 1 . . . . 67 MET CB . 11256 1 826 . 1 1 67 67 MET CE C 13 17.170 0.300 . 1 . . . . 67 MET CE . 11256 1 827 . 1 1 67 67 MET CG C 13 32.016 0.300 . 1 . . . . 67 MET CG . 11256 1 828 . 1 1 67 67 MET N N 15 123.065 0.300 . 1 . . . . 67 MET N . 11256 1 829 . 1 1 68 68 LYS H H 1 7.121 0.030 . 1 . . . . 68 LYS H . 11256 1 830 . 1 1 68 68 LYS HA H 1 4.358 0.030 . 1 . . . . 68 LYS HA . 11256 1 831 . 1 1 68 68 LYS HB2 H 1 1.656 0.030 . 2 . . . . 68 LYS HB2 . 11256 1 832 . 1 1 68 68 LYS HB3 H 1 1.742 0.030 . 2 . . . . 68 LYS HB3 . 11256 1 833 . 1 1 68 68 LYS HE2 H 1 2.993 0.030 . 1 . . . . 68 LYS HE2 . 11256 1 834 . 1 1 68 68 LYS HE3 H 1 2.993 0.030 . 1 . . . . 68 LYS HE3 . 11256 1 835 . 1 1 68 68 LYS HG2 H 1 1.428 0.030 . 2 . . . . 68 LYS HG2 . 11256 1 836 . 1 1 68 68 LYS HG3 H 1 1.306 0.030 . 2 . . . . 68 LYS HG3 . 11256 1 837 . 1 1 68 68 LYS C C 13 175.093 0.300 . 1 . . . . 68 LYS C . 11256 1 838 . 1 1 68 68 LYS CA C 13 54.981 0.300 . 1 . . . . 68 LYS CA . 11256 1 839 . 1 1 68 68 LYS CB C 13 36.254 0.300 . 1 . . . . 68 LYS CB . 11256 1 840 . 1 1 68 68 LYS CD C 13 29.304 0.300 . 1 . . . . 68 LYS CD . 11256 1 841 . 1 1 68 68 LYS CE C 13 42.133 0.300 . 1 . . . . 68 LYS CE . 11256 1 842 . 1 1 68 68 LYS CG C 13 24.124 0.300 . 1 . . . . 68 LYS CG . 11256 1 843 . 1 1 68 68 LYS N N 15 117.728 0.300 . 1 . . . . 68 LYS N . 11256 1 844 . 1 1 69 69 ASN H H 1 8.938 0.030 . 1 . . . . 69 ASN H . 11256 1 845 . 1 1 69 69 ASN HA H 1 4.969 0.030 . 1 . . . . 69 ASN HA . 11256 1 846 . 1 1 69 69 ASN HB2 H 1 2.902 0.030 . 2 . . . . 69 ASN HB2 . 11256 1 847 . 1 1 69 69 ASN HB3 H 1 2.763 0.030 . 2 . . . . 69 ASN HB3 . 11256 1 848 . 1 1 69 69 ASN HD21 H 1 7.195 0.030 . 2 . . . . 69 ASN HD21 . 11256 1 849 . 1 1 69 69 ASN HD22 H 1 7.647 0.030 . 2 . . . . 69 ASN HD22 . 11256 1 850 . 1 1 69 69 ASN C C 13 177.920 0.300 . 1 . . . . 69 ASN C . 11256 1 851 . 1 1 69 69 ASN CA C 13 54.700 0.300 . 1 . . . . 69 ASN CA . 11256 1 852 . 1 1 69 69 ASN CB C 13 38.344 0.300 . 1 . . . . 69 ASN CB . 11256 1 853 . 1 1 69 69 ASN N N 15 120.869 0.300 . 1 . . . . 69 ASN N . 11256 1 854 . 1 1 69 69 ASN ND2 N 15 113.457 0.300 . 1 . . . . 69 ASN ND2 . 11256 1 855 . 1 1 70 70 GLY H H 1 9.600 0.030 . 1 . . . . 70 GLY H . 11256 1 856 . 1 1 70 70 GLY HA2 H 1 4.237 0.030 . 2 . . . . 70 GLY HA2 . 11256 1 857 . 1 1 70 70 GLY HA3 H 1 3.899 0.030 . 2 . . . . 70 GLY HA3 . 11256 1 858 . 1 1 70 70 GLY C C 13 174.692 0.300 . 1 . . . . 70 GLY C . 11256 1 859 . 1 1 70 70 GLY CA C 13 45.445 0.300 . 1 . . . . 70 GLY CA . 11256 1 860 . 1 1 70 70 GLY N N 15 110.945 0.300 . 1 . . . . 70 GLY N . 11256 1 861 . 1 1 71 71 MET H H 1 7.504 0.030 . 1 . . . . 71 MET H . 11256 1 862 . 1 1 71 71 MET HA H 1 4.430 0.030 . 1 . . . . 71 MET HA . 11256 1 863 . 1 1 71 71 MET HB2 H 1 2.047 0.030 . 2 . . . . 71 MET HB2 . 11256 1 864 . 1 1 71 71 MET HB3 H 1 2.262 0.030 . 2 . . . . 71 MET HB3 . 11256 1 865 . 1 1 71 71 MET HE1 H 1 2.121 0.030 . 1 . . . . 71 MET HE . 11256 1 866 . 1 1 71 71 MET HE2 H 1 2.121 0.030 . 1 . . . . 71 MET HE . 11256 1 867 . 1 1 71 71 MET HE3 H 1 2.121 0.030 . 1 . . . . 71 MET HE . 11256 1 868 . 1 1 71 71 MET HG2 H 1 2.417 0.030 . 2 . . . . 71 MET HG2 . 11256 1 869 . 1 1 71 71 MET HG3 H 1 2.738 0.030 . 2 . . . . 71 MET HG3 . 11256 1 870 . 1 1 71 71 MET C C 13 173.478 0.300 . 1 . . . . 71 MET C . 11256 1 871 . 1 1 71 71 MET CA C 13 56.371 0.300 . 1 . . . . 71 MET CA . 11256 1 872 . 1 1 71 71 MET CB C 13 34.074 0.300 . 1 . . . . 71 MET CB . 11256 1 873 . 1 1 71 71 MET CE C 13 17.079 0.300 . 1 . . . . 71 MET CE . 11256 1 874 . 1 1 71 71 MET CG C 13 31.360 0.300 . 1 . . . . 71 MET CG . 11256 1 875 . 1 1 71 71 MET N N 15 118.967 0.300 . 1 . . . . 71 MET N . 11256 1 876 . 1 1 72 72 THR H H 1 8.516 0.030 . 1 . . . . 72 THR H . 11256 1 877 . 1 1 72 72 THR HA H 1 5.106 0.030 . 1 . . . . 72 THR HA . 11256 1 878 . 1 1 72 72 THR HB H 1 4.056 0.030 . 1 . . . . 72 THR HB . 11256 1 879 . 1 1 72 72 THR HG21 H 1 1.123 0.030 . 1 . . . . 72 THR HG2 . 11256 1 880 . 1 1 72 72 THR HG22 H 1 1.123 0.030 . 1 . . . . 72 THR HG2 . 11256 1 881 . 1 1 72 72 THR HG23 H 1 1.123 0.030 . 1 . . . . 72 THR HG2 . 11256 1 882 . 1 1 72 72 THR C C 13 174.026 0.300 . 1 . . . . 72 THR C . 11256 1 883 . 1 1 72 72 THR CA C 13 62.740 0.300 . 1 . . . . 72 THR CA . 11256 1 884 . 1 1 72 72 THR CB C 13 69.929 0.300 . 1 . . . . 72 THR CB . 11256 1 885 . 1 1 72 72 THR CG2 C 13 21.912 0.300 . 1 . . . . 72 THR CG2 . 11256 1 886 . 1 1 72 72 THR N N 15 117.190 0.300 . 1 . . . . 72 THR N . 11256 1 887 . 1 1 73 73 VAL H H 1 9.578 0.030 . 1 . . . . 73 VAL H . 11256 1 888 . 1 1 73 73 VAL HA H 1 4.370 0.030 . 1 . . . . 73 VAL HA . 11256 1 889 . 1 1 73 73 VAL HB H 1 2.185 0.030 . 1 . . . . 73 VAL HB . 11256 1 890 . 1 1 73 73 VAL HG11 H 1 1.040 0.030 . 1 . . . . 73 VAL HG1 . 11256 1 891 . 1 1 73 73 VAL HG12 H 1 1.040 0.030 . 1 . . . . 73 VAL HG1 . 11256 1 892 . 1 1 73 73 VAL HG13 H 1 1.040 0.030 . 1 . . . . 73 VAL HG1 . 11256 1 893 . 1 1 73 73 VAL HG21 H 1 0.951 0.030 . 1 . . . . 73 VAL HG2 . 11256 1 894 . 1 1 73 73 VAL HG22 H 1 0.951 0.030 . 1 . . . . 73 VAL HG2 . 11256 1 895 . 1 1 73 73 VAL HG23 H 1 0.951 0.030 . 1 . . . . 73 VAL HG2 . 11256 1 896 . 1 1 73 73 VAL C C 13 173.515 0.300 . 1 . . . . 73 VAL C . 11256 1 897 . 1 1 73 73 VAL CA C 13 61.490 0.300 . 1 . . . . 73 VAL CA . 11256 1 898 . 1 1 73 73 VAL CB C 13 34.197 0.300 . 1 . . . . 73 VAL CB . 11256 1 899 . 1 1 73 73 VAL CG1 C 13 21.892 0.300 . 2 . . . . 73 VAL CG1 . 11256 1 900 . 1 1 73 73 VAL CG2 C 13 21.133 0.300 . 2 . . . . 73 VAL CG2 . 11256 1 901 . 1 1 73 73 VAL N N 15 129.190 0.300 . 1 . . . . 73 VAL N . 11256 1 902 . 1 1 74 74 LEU H H 1 8.537 0.030 . 1 . . . . 74 LEU H . 11256 1 903 . 1 1 74 74 LEU HA H 1 5.274 0.030 . 1 . . . . 74 LEU HA . 11256 1 904 . 1 1 74 74 LEU HB2 H 1 1.738 0.030 . 1 . . . . 74 LEU HB2 . 11256 1 905 . 1 1 74 74 LEU HB3 H 1 1.738 0.030 . 1 . . . . 74 LEU HB3 . 11256 1 906 . 1 1 74 74 LEU HD11 H 1 1.010 0.030 . 1 . . . . 74 LEU HD1 . 11256 1 907 . 1 1 74 74 LEU HD12 H 1 1.010 0.030 . 1 . . . . 74 LEU HD1 . 11256 1 908 . 1 1 74 74 LEU HD13 H 1 1.010 0.030 . 1 . . . . 74 LEU HD1 . 11256 1 909 . 1 1 74 74 LEU HD21 H 1 0.965 0.030 . 1 . . . . 74 LEU HD2 . 11256 1 910 . 1 1 74 74 LEU HD22 H 1 0.965 0.030 . 1 . . . . 74 LEU HD2 . 11256 1 911 . 1 1 74 74 LEU HD23 H 1 0.965 0.030 . 1 . . . . 74 LEU HD2 . 11256 1 912 . 1 1 74 74 LEU HG H 1 1.675 0.030 . 1 . . . . 74 LEU HG . 11256 1 913 . 1 1 74 74 LEU C C 13 175.142 0.300 . 1 . . . . 74 LEU C . 11256 1 914 . 1 1 74 74 LEU CA C 13 53.784 0.300 . 1 . . . . 74 LEU CA . 11256 1 915 . 1 1 74 74 LEU CB C 13 44.724 0.300 . 1 . . . . 74 LEU CB . 11256 1 916 . 1 1 74 74 LEU CD1 C 13 24.650 0.300 . 2 . . . . 74 LEU CD1 . 11256 1 917 . 1 1 74 74 LEU CD2 C 13 25.152 0.300 . 2 . . . . 74 LEU CD2 . 11256 1 918 . 1 1 74 74 LEU CG C 13 27.852 0.300 . 1 . . . . 74 LEU CG . 11256 1 919 . 1 1 74 74 LEU N N 15 127.650 0.300 . 1 . . . . 74 LEU N . 11256 1 920 . 1 1 75 75 MET H H 1 9.130 0.030 . 1 . . . . 75 MET H . 11256 1 921 . 1 1 75 75 MET HA H 1 5.505 0.030 . 1 . . . . 75 MET HA . 11256 1 922 . 1 1 75 75 MET HB2 H 1 1.944 0.030 . 2 . . . . 75 MET HB2 . 11256 1 923 . 1 1 75 75 MET HB3 H 1 1.667 0.030 . 2 . . . . 75 MET HB3 . 11256 1 924 . 1 1 75 75 MET HE1 H 1 0.974 0.030 . 1 . . . . 75 MET HE . 11256 1 925 . 1 1 75 75 MET HE2 H 1 0.974 0.030 . 1 . . . . 75 MET HE . 11256 1 926 . 1 1 75 75 MET HE3 H 1 0.974 0.030 . 1 . . . . 75 MET HE . 11256 1 927 . 1 1 75 75 MET HG2 H 1 2.217 0.030 . 2 . . . . 75 MET HG2 . 11256 1 928 . 1 1 75 75 MET HG3 H 1 2.306 0.030 . 2 . . . . 75 MET HG3 . 11256 1 929 . 1 1 75 75 MET C C 13 174.754 0.300 . 1 . . . . 75 MET C . 11256 1 930 . 1 1 75 75 MET CA C 13 54.787 0.300 . 1 . . . . 75 MET CA . 11256 1 931 . 1 1 75 75 MET CB C 13 35.637 0.300 . 1 . . . . 75 MET CB . 11256 1 932 . 1 1 75 75 MET CE C 13 17.157 0.300 . 1 . . . . 75 MET CE . 11256 1 933 . 1 1 75 75 MET CG C 13 33.005 0.300 . 1 . . . . 75 MET CG . 11256 1 934 . 1 1 75 75 MET N N 15 123.661 0.300 . 1 . . . . 75 MET N . 11256 1 935 . 1 1 76 76 MET H H 1 9.247 0.030 . 1 . . . . 76 MET H . 11256 1 936 . 1 1 76 76 MET HA H 1 5.151 0.030 . 1 . . . . 76 MET HA . 11256 1 937 . 1 1 76 76 MET HB2 H 1 2.305 0.030 . 2 . . . . 76 MET HB2 . 11256 1 938 . 1 1 76 76 MET HB3 H 1 2.046 0.030 . 2 . . . . 76 MET HB3 . 11256 1 939 . 1 1 76 76 MET HE1 H 1 2.113 0.030 . 1 . . . . 76 MET HE . 11256 1 940 . 1 1 76 76 MET HE2 H 1 2.113 0.030 . 1 . . . . 76 MET HE . 11256 1 941 . 1 1 76 76 MET HE3 H 1 2.113 0.030 . 1 . . . . 76 MET HE . 11256 1 942 . 1 1 76 76 MET HG2 H 1 2.729 0.030 . 2 . . . . 76 MET HG2 . 11256 1 943 . 1 1 76 76 MET HG3 H 1 2.608 0.030 . 2 . . . . 76 MET HG3 . 11256 1 944 . 1 1 76 76 MET C C 13 175.239 0.300 . 1 . . . . 76 MET C . 11256 1 945 . 1 1 76 76 MET CA C 13 54.489 0.300 . 1 . . . . 76 MET CA . 11256 1 946 . 1 1 76 76 MET CB C 13 35.678 0.300 . 1 . . . . 76 MET CB . 11256 1 947 . 1 1 76 76 MET CE C 13 17.336 0.300 . 1 . . . . 76 MET CE . 11256 1 948 . 1 1 76 76 MET CG C 13 32.775 0.300 . 1 . . . . 76 MET CG . 11256 1 949 . 1 1 76 76 MET N N 15 125.038 0.300 . 1 . . . . 76 MET N . 11256 1 950 . 1 1 77 77 GLY H H 1 8.823 0.030 . 1 . . . . 77 GLY H . 11256 1 951 . 1 1 77 77 GLY HA2 H 1 4.548 0.030 . 2 . . . . 77 GLY HA2 . 11256 1 952 . 1 1 77 77 GLY HA3 H 1 4.152 0.030 . 2 . . . . 77 GLY HA3 . 11256 1 953 . 1 1 77 77 GLY C C 13 172.757 0.300 . 1 . . . . 77 GLY C . 11256 1 954 . 1 1 77 77 GLY CA C 13 45.305 0.300 . 1 . . . . 77 GLY CA . 11256 1 955 . 1 1 77 77 GLY N N 15 110.117 0.300 . 1 . . . . 77 GLY N . 11256 1 956 . 1 1 78 78 SER H H 1 8.518 0.030 . 1 . . . . 78 SER H . 11256 1 957 . 1 1 78 78 SER HA H 1 4.961 0.030 . 1 . . . . 78 SER HA . 11256 1 958 . 1 1 78 78 SER HB2 H 1 3.923 0.030 . 1 . . . . 78 SER HB2 . 11256 1 959 . 1 1 78 78 SER HB3 H 1 3.923 0.030 . 1 . . . . 78 SER HB3 . 11256 1 960 . 1 1 78 78 SER C C 13 173.746 0.300 . 1 . . . . 78 SER C . 11256 1 961 . 1 1 78 78 SER CA C 13 57.145 0.300 . 1 . . . . 78 SER CA . 11256 1 962 . 1 1 78 78 SER CB C 13 65.529 0.300 . 1 . . . . 78 SER CB . 11256 1 963 . 1 1 78 78 SER N N 15 114.907 0.300 . 1 . . . . 78 SER N . 11256 1 964 . 1 1 79 79 ALA H H 1 9.146 0.030 . 1 . . . . 79 ALA H . 11256 1 965 . 1 1 79 79 ALA HA H 1 4.382 0.030 . 1 . . . . 79 ALA HA . 11256 1 966 . 1 1 79 79 ALA HB1 H 1 1.512 0.030 . 1 . . . . 79 ALA HB . 11256 1 967 . 1 1 79 79 ALA HB2 H 1 1.512 0.030 . 1 . . . . 79 ALA HB . 11256 1 968 . 1 1 79 79 ALA HB3 H 1 1.512 0.030 . 1 . . . . 79 ALA HB . 11256 1 969 . 1 1 79 79 ALA C C 13 177.593 0.300 . 1 . . . . 79 ALA C . 11256 1 970 . 1 1 79 79 ALA CA C 13 52.535 0.300 . 1 . . . . 79 ALA CA . 11256 1 971 . 1 1 79 79 ALA CB C 13 19.520 0.300 . 1 . . . . 79 ALA CB . 11256 1 972 . 1 1 79 79 ALA N N 15 126.610 0.300 . 1 . . . . 79 ALA N . 11256 1 973 . 1 1 80 80 ASP H H 1 8.346 0.030 . 1 . . . . 80 ASP H . 11256 1 974 . 1 1 80 80 ASP HA H 1 4.575 0.030 . 1 . . . . 80 ASP HA . 11256 1 975 . 1 1 80 80 ASP HB2 H 1 2.667 0.030 . 2 . . . . 80 ASP HB2 . 11256 1 976 . 1 1 80 80 ASP HB3 H 1 2.571 0.030 . 2 . . . . 80 ASP HB3 . 11256 1 977 . 1 1 80 80 ASP C C 13 175.846 0.300 . 1 . . . . 80 ASP C . 11256 1 978 . 1 1 80 80 ASP CA C 13 54.435 0.300 . 1 . . . . 80 ASP CA . 11256 1 979 . 1 1 80 80 ASP CB C 13 41.381 0.300 . 1 . . . . 80 ASP CB . 11256 1 980 . 1 1 80 80 ASP N N 15 119.825 0.300 . 1 . . . . 80 ASP N . 11256 1 981 . 1 1 81 81 ALA H H 1 8.271 0.030 . 1 . . . . 81 ALA H . 11256 1 982 . 1 1 81 81 ALA HA H 1 4.334 0.030 . 1 . . . . 81 ALA HA . 11256 1 983 . 1 1 81 81 ALA HB1 H 1 1.388 0.030 . 1 . . . . 81 ALA HB . 11256 1 984 . 1 1 81 81 ALA HB2 H 1 1.388 0.030 . 1 . . . . 81 ALA HB . 11256 1 985 . 1 1 81 81 ALA HB3 H 1 1.388 0.030 . 1 . . . . 81 ALA HB . 11256 1 986 . 1 1 81 81 ALA C C 13 177.314 0.300 . 1 . . . . 81 ALA C . 11256 1 987 . 1 1 81 81 ALA CA C 13 52.237 0.300 . 1 . . . . 81 ALA CA . 11256 1 988 . 1 1 81 81 ALA CB C 13 19.614 0.300 . 1 . . . . 81 ALA CB . 11256 1 989 . 1 1 81 81 ALA N N 15 124.395 0.300 . 1 . . . . 81 ALA N . 11256 1 990 . 1 1 82 82 LEU H H 1 8.357 0.030 . 1 . . . . 82 LEU H . 11256 1 991 . 1 1 82 82 LEU HA H 1 4.598 0.030 . 1 . . . . 82 LEU HA . 11256 1 992 . 1 1 82 82 LEU HB2 H 1 1.608 0.030 . 2 . . . . 82 LEU HB2 . 11256 1 993 . 1 1 82 82 LEU HB3 H 1 1.574 0.030 . 2 . . . . 82 LEU HB3 . 11256 1 994 . 1 1 82 82 LEU HD11 H 1 0.935 0.030 . 1 . . . . 82 LEU HD1 . 11256 1 995 . 1 1 82 82 LEU HD12 H 1 0.935 0.030 . 1 . . . . 82 LEU HD1 . 11256 1 996 . 1 1 82 82 LEU HD13 H 1 0.935 0.030 . 1 . . . . 82 LEU HD1 . 11256 1 997 . 1 1 82 82 LEU HD21 H 1 0.935 0.030 . 1 . . . . 82 LEU HD2 . 11256 1 998 . 1 1 82 82 LEU HD22 H 1 0.935 0.030 . 1 . . . . 82 LEU HD2 . 11256 1 999 . 1 1 82 82 LEU HD23 H 1 0.935 0.030 . 1 . . . . 82 LEU HD2 . 11256 1 1000 . 1 1 82 82 LEU HG H 1 1.706 0.030 . 1 . . . . 82 LEU HG . 11256 1 1001 . 1 1 82 82 LEU C C 13 175.440 0.300 . 1 . . . . 82 LEU C . 11256 1 1002 . 1 1 82 82 LEU CA C 13 52.993 0.300 . 1 . . . . 82 LEU CA . 11256 1 1003 . 1 1 82 82 LEU CB C 13 41.632 0.300 . 1 . . . . 82 LEU CB . 11256 1 1004 . 1 1 82 82 LEU CD1 C 13 23.411 0.300 . 2 . . . . 82 LEU CD1 . 11256 1 1005 . 1 1 82 82 LEU CD2 C 13 23.411 0.300 . 2 . . . . 82 LEU CD2 . 11256 1 1006 . 1 1 82 82 LEU CG C 13 27.190 0.300 . 1 . . . . 82 LEU CG . 11256 1 1007 . 1 1 82 82 LEU N N 15 123.389 0.300 . 1 . . . . 82 LEU N . 11256 1 1008 . 1 1 83 83 PRO HA H 1 4.406 0.030 . 1 . . . . 83 PRO HA . 11256 1 1009 . 1 1 83 83 PRO HB2 H 1 1.919 0.030 . 2 . . . . 83 PRO HB2 . 11256 1 1010 . 1 1 83 83 PRO HB3 H 1 2.257 0.030 . 2 . . . . 83 PRO HB3 . 11256 1 1011 . 1 1 83 83 PRO HD2 H 1 3.842 0.030 . 2 . . . . 83 PRO HD2 . 11256 1 1012 . 1 1 83 83 PRO HD3 H 1 3.665 0.030 . 2 . . . . 83 PRO HD3 . 11256 1 1013 . 1 1 83 83 PRO HG2 H 1 2.036 0.030 . 1 . . . . 83 PRO HG2 . 11256 1 1014 . 1 1 83 83 PRO HG3 H 1 2.036 0.030 . 1 . . . . 83 PRO HG3 . 11256 1 1015 . 1 1 83 83 PRO C C 13 176.739 0.300 . 1 . . . . 83 PRO C . 11256 1 1016 . 1 1 83 83 PRO CA C 13 63.092 0.300 . 1 . . . . 83 PRO CA . 11256 1 1017 . 1 1 83 83 PRO CB C 13 32.347 0.300 . 1 . . . . 83 PRO CB . 11256 1 1018 . 1 1 83 83 PRO CD C 13 50.439 0.300 . 1 . . . . 83 PRO CD . 11256 1 1019 . 1 1 83 83 PRO CG C 13 27.460 0.300 . 1 . . . . 83 PRO CG . 11256 1 1020 . 1 1 84 84 GLU H H 1 8.433 0.030 . 1 . . . . 84 GLU H . 11256 1 1021 . 1 1 84 84 GLU HA H 1 4.225 0.030 . 1 . . . . 84 GLU HA . 11256 1 1022 . 1 1 84 84 GLU HB2 H 1 2.002 0.030 . 2 . . . . 84 GLU HB2 . 11256 1 1023 . 1 1 84 84 GLU HB3 H 1 1.907 0.030 . 2 . . . . 84 GLU HB3 . 11256 1 1024 . 1 1 84 84 GLU HG2 H 1 2.245 0.030 . 1 . . . . 84 GLU HG2 . 11256 1 1025 . 1 1 84 84 GLU HG3 H 1 2.245 0.030 . 1 . . . . 84 GLU HG3 . 11256 1 1026 . 1 1 84 84 GLU C C 13 176.295 0.300 . 1 . . . . 84 GLU C . 11256 1 1027 . 1 1 84 84 GLU CA C 13 56.266 0.300 . 1 . . . . 84 GLU CA . 11256 1 1028 . 1 1 84 84 GLU CB C 13 30.497 0.300 . 1 . . . . 84 GLU CB . 11256 1 1029 . 1 1 84 84 GLU CG C 13 36.130 0.300 . 1 . . . . 84 GLU CG . 11256 1 1030 . 1 1 84 84 GLU N N 15 121.033 0.300 . 1 . . . . 84 GLU N . 11256 1 1031 . 1 1 85 85 GLU H H 1 8.455 0.030 . 1 . . . . 85 GLU H . 11256 1 1032 . 1 1 85 85 GLU HA H 1 4.596 0.030 . 1 . . . . 85 GLU HA . 11256 1 1033 . 1 1 85 85 GLU HB2 H 1 1.905 0.030 . 2 . . . . 85 GLU HB2 . 11256 1 1034 . 1 1 85 85 GLU HB3 H 1 2.040 0.030 . 2 . . . . 85 GLU HB3 . 11256 1 1035 . 1 1 85 85 GLU HG2 H 1 2.297 0.030 . 1 . . . . 85 GLU HG2 . 11256 1 1036 . 1 1 85 85 GLU HG3 H 1 2.297 0.030 . 1 . . . . 85 GLU HG3 . 11256 1 1037 . 1 1 85 85 GLU C C 13 174.737 0.300 . 1 . . . . 85 GLU C . 11256 1 1038 . 1 1 85 85 GLU CA C 13 54.189 0.300 . 1 . . . . 85 GLU CA . 11256 1 1039 . 1 1 85 85 GLU CB C 13 29.869 0.300 . 1 . . . . 85 GLU CB . 11256 1 1040 . 1 1 85 85 GLU CG C 13 36.066 0.300 . 1 . . . . 85 GLU CG . 11256 1 1041 . 1 1 85 85 GLU N N 15 123.967 0.300 . 1 . . . . 85 GLU N . 11256 1 1042 . 1 1 86 86 PRO HA H 1 4.478 0.030 . 1 . . . . 86 PRO HA . 11256 1 1043 . 1 1 86 86 PRO HB2 H 1 2.305 0.030 . 2 . . . . 86 PRO HB2 . 11256 1 1044 . 1 1 86 86 PRO HB3 H 1 1.967 0.030 . 2 . . . . 86 PRO HB3 . 11256 1 1045 . 1 1 86 86 PRO HD2 H 1 3.633 0.030 . 1 . . . . 86 PRO HD2 . 11256 1 1046 . 1 1 86 86 PRO HD3 H 1 3.633 0.030 . 1 . . . . 86 PRO HD3 . 11256 1 1047 . 1 1 86 86 PRO HG2 H 1 2.003 0.030 . 1 . . . . 86 PRO HG2 . 11256 1 1048 . 1 1 86 86 PRO HG3 H 1 2.003 0.030 . 1 . . . . 86 PRO HG3 . 11256 1 1049 . 1 1 86 86 PRO C C 13 177.469 0.300 . 1 . . . . 86 PRO C . 11256 1 1050 . 1 1 86 86 PRO CA C 13 63.338 0.300 . 1 . . . . 86 PRO CA . 11256 1 1051 . 1 1 86 86 PRO CB C 13 32.265 0.300 . 1 . . . . 86 PRO CB . 11256 1 1052 . 1 1 86 86 PRO CD C 13 49.781 0.300 . 1 . . . . 86 PRO CD . 11256 1 1053 . 1 1 86 86 PRO CG C 13 27.166 0.300 . 1 . . . . 86 PRO CG . 11256 1 1054 . 1 1 87 87 SER H H 1 8.546 0.030 . 1 . . . . 87 SER H . 11256 1 1055 . 1 1 87 87 SER HA H 1 4.382 0.030 . 1 . . . . 87 SER HA . 11256 1 1056 . 1 1 87 87 SER HB2 H 1 3.887 0.030 . 1 . . . . 87 SER HB2 . 11256 1 1057 . 1 1 87 87 SER HB3 H 1 3.887 0.030 . 1 . . . . 87 SER HB3 . 11256 1 1058 . 1 1 87 87 SER C C 13 174.632 0.300 . 1 . . . . 87 SER C . 11256 1 1059 . 1 1 87 87 SER CA C 13 58.377 0.300 . 1 . . . . 87 SER CA . 11256 1 1060 . 1 1 87 87 SER CB C 13 63.803 0.300 . 1 . . . . 87 SER CB . 11256 1 1061 . 1 1 87 87 SER N N 15 116.450 0.300 . 1 . . . . 87 SER N . 11256 1 1062 . 1 1 88 88 ALA H H 1 8.316 0.030 . 1 . . . . 88 ALA H . 11256 1 1063 . 1 1 88 88 ALA HA H 1 4.346 0.030 . 1 . . . . 88 ALA HA . 11256 1 1064 . 1 1 88 88 ALA HB1 H 1 1.424 0.030 . 1 . . . . 88 ALA HB . 11256 1 1065 . 1 1 88 88 ALA HB2 H 1 1.424 0.030 . 1 . . . . 88 ALA HB . 11256 1 1066 . 1 1 88 88 ALA HB3 H 1 1.424 0.030 . 1 . . . . 88 ALA HB . 11256 1 1067 . 1 1 88 88 ALA C C 13 177.812 0.300 . 1 . . . . 88 ALA C . 11256 1 1068 . 1 1 88 88 ALA CA C 13 52.624 0.300 . 1 . . . . 88 ALA CA . 11256 1 1069 . 1 1 88 88 ALA CB C 13 19.230 0.300 . 1 . . . . 88 ALA CB . 11256 1 1070 . 1 1 88 88 ALA N N 15 125.914 0.300 . 1 . . . . 88 ALA N . 11256 1 1071 . 1 1 89 89 LYS H H 1 8.274 0.030 . 1 . . . . 89 LYS H . 11256 1 1072 . 1 1 89 89 LYS HA H 1 4.370 0.030 . 1 . . . . 89 LYS HA . 11256 1 1073 . 1 1 89 89 LYS HB2 H 1 1.769 0.030 . 1 . . . . 89 LYS HB2 . 11256 1 1074 . 1 1 89 89 LYS HB3 H 1 1.769 0.030 . 1 . . . . 89 LYS HB3 . 11256 1 1075 . 1 1 89 89 LYS HD2 H 1 1.726 0.030 . 1 . . . . 89 LYS HD2 . 11256 1 1076 . 1 1 89 89 LYS HD3 H 1 1.726 0.030 . 1 . . . . 89 LYS HD3 . 11256 1 1077 . 1 1 89 89 LYS HE2 H 1 3.005 0.030 . 1 . . . . 89 LYS HE2 . 11256 1 1078 . 1 1 89 89 LYS HE3 H 1 3.005 0.030 . 1 . . . . 89 LYS HE3 . 11256 1 1079 . 1 1 89 89 LYS HG2 H 1 1.460 0.030 . 1 . . . . 89 LYS HG2 . 11256 1 1080 . 1 1 89 89 LYS HG3 H 1 1.460 0.030 . 1 . . . . 89 LYS HG3 . 11256 1 1081 . 1 1 89 89 LYS C C 13 176.962 0.300 . 1 . . . . 89 LYS C . 11256 1 1082 . 1 1 89 89 LYS CA C 13 56.389 0.300 . 1 . . . . 89 LYS CA . 11256 1 1083 . 1 1 89 89 LYS CB C 13 33.029 0.300 . 1 . . . . 89 LYS CB . 11256 1 1084 . 1 1 89 89 LYS CD C 13 29.058 0.300 . 1 . . . . 89 LYS CD . 11256 1 1085 . 1 1 89 89 LYS CE C 13 42.133 0.300 . 1 . . . . 89 LYS CE . 11256 1 1086 . 1 1 89 89 LYS CG C 13 24.699 0.300 . 1 . . . . 89 LYS CG . 11256 1 1087 . 1 1 89 89 LYS N N 15 120.435 0.300 . 1 . . . . 89 LYS N . 11256 1 1088 . 1 1 90 90 THR H H 1 8.166 0.030 . 1 . . . . 90 THR H . 11256 1 1089 . 1 1 90 90 THR HA H 1 4.417 0.030 . 1 . . . . 90 THR HA . 11256 1 1090 . 1 1 90 90 THR HB H 1 4.285 0.030 . 1 . . . . 90 THR HB . 11256 1 1091 . 1 1 90 90 THR HG21 H 1 1.219 0.030 . 1 . . . . 90 THR HG2 . 11256 1 1092 . 1 1 90 90 THR HG22 H 1 1.219 0.030 . 1 . . . . 90 THR HG2 . 11256 1 1093 . 1 1 90 90 THR HG23 H 1 1.219 0.030 . 1 . . . . 90 THR HG2 . 11256 1 1094 . 1 1 90 90 THR C C 13 174.582 0.300 . 1 . . . . 90 THR C . 11256 1 1095 . 1 1 90 90 THR CA C 13 61.649 0.300 . 1 . . . . 90 THR CA . 11256 1 1096 . 1 1 90 90 THR CB C 13 69.806 0.300 . 1 . . . . 90 THR CB . 11256 1 1097 . 1 1 90 90 THR CG2 C 13 21.492 0.300 . 1 . . . . 90 THR CG2 . 11256 1 1098 . 1 1 90 90 THR N N 15 114.822 0.300 . 1 . . . . 90 THR N . 11256 1 1099 . 1 1 91 91 SER H H 1 8.335 0.030 . 1 . . . . 91 SER H . 11256 1 1100 . 1 1 91 91 SER HA H 1 4.491 0.030 . 1 . . . . 91 SER HA . 11256 1 1101 . 1 1 91 91 SER HB2 H 1 3.911 0.030 . 1 . . . . 91 SER HB2 . 11256 1 1102 . 1 1 91 91 SER HB3 H 1 3.911 0.030 . 1 . . . . 91 SER HB3 . 11256 1 1103 . 1 1 91 91 SER C C 13 173.969 0.300 . 1 . . . . 91 SER C . 11256 1 1104 . 1 1 91 91 SER CA C 13 58.359 0.300 . 1 . . . . 91 SER CA . 11256 1 1105 . 1 1 91 91 SER CB C 13 64.050 0.300 . 1 . . . . 91 SER CB . 11256 1 1106 . 1 1 91 91 SER N N 15 117.892 0.300 . 1 . . . . 91 SER N . 11256 1 1107 . 1 1 92 92 GLY H H 1 8.059 0.030 . 1 . . . . 92 GLY H . 11256 1 1108 . 1 1 92 92 GLY C C 13 178.978 0.300 . 1 . . . . 92 GLY C . 11256 1 1109 . 1 1 92 92 GLY CA C 13 46.167 0.300 . 1 . . . . 92 GLY CA . 11256 1 1110 . 1 1 92 92 GLY N N 15 116.882 0.300 . 1 . . . . 92 GLY N . 11256 1 1111 . 1 1 93 93 PRO HA H 1 4.428 0.030 . 1 . . . . 93 PRO HA . 11256 1 1112 . 1 1 93 93 PRO HB2 H 1 2.317 0.030 . 2 . . . . 93 PRO HB2 . 11256 1 1113 . 1 1 93 93 PRO HB3 H 1 1.955 0.030 . 2 . . . . 93 PRO HB3 . 11256 1 1114 . 1 1 93 93 PRO HD2 H 1 3.733 0.030 . 2 . . . . 93 PRO HD2 . 11256 1 1115 . 1 1 93 93 PRO HD3 H 1 3.838 0.030 . 2 . . . . 93 PRO HD3 . 11256 1 1116 . 1 1 93 93 PRO HG2 H 1 2.052 0.030 . 1 . . . . 93 PRO HG2 . 11256 1 1117 . 1 1 93 93 PRO HG3 H 1 2.052 0.030 . 1 . . . . 93 PRO HG3 . 11256 1 1118 . 1 1 93 93 PRO C C 13 177.148 0.300 . 1 . . . . 93 PRO C . 11256 1 1119 . 1 1 93 93 PRO CA C 13 63.565 0.300 . 1 . . . . 93 PRO CA . 11256 1 1120 . 1 1 93 93 PRO CB C 13 32.018 0.300 . 1 . . . . 93 PRO CB . 11256 1 1121 . 1 1 93 93 PRO CD C 13 50.776 0.300 . 1 . . . . 93 PRO CD . 11256 1 1122 . 1 1 93 93 PRO CG C 13 27.413 0.300 . 1 . . . . 93 PRO CG . 11256 1 1123 . 1 1 94 94 SER H H 1 8.404 0.030 . 1 . . . . 94 SER H . 11256 1 1124 . 1 1 94 94 SER HA H 1 4.416 0.030 . 1 . . . . 94 SER HA . 11256 1 1125 . 1 1 94 94 SER C C 13 174.567 0.300 . 1 . . . . 94 SER C . 11256 1 1126 . 1 1 94 94 SER CA C 13 58.482 0.300 . 1 . . . . 94 SER CA . 11256 1 1127 . 1 1 94 94 SER CB C 13 64.091 0.300 . 1 . . . . 94 SER CB . 11256 1 1128 . 1 1 94 94 SER N N 15 115.735 0.300 . 1 . . . . 94 SER N . 11256 1 1129 . 1 1 95 95 SER HA H 1 4.522 0.030 . 1 . . . . 95 SER HA . 11256 1 1130 . 1 1 95 95 SER C C 13 174.502 0.300 . 1 . . . . 95 SER C . 11256 1 1131 . 1 1 95 95 SER CA C 13 58.271 0.300 . 1 . . . . 95 SER CA . 11256 1 1132 . 1 1 95 95 SER CB C 13 64.173 0.300 . 1 . . . . 95 SER CB . 11256 1 1133 . 1 1 96 96 GLY H H 1 8.275 0.030 . 1 . . . . 96 GLY H . 11256 1 1134 . 1 1 96 96 GLY HA2 H 1 4.110 0.030 . 2 . . . . 96 GLY HA2 . 11256 1 1135 . 1 1 96 96 GLY HA3 H 1 4.167 0.030 . 2 . . . . 96 GLY HA3 . 11256 1 1136 . 1 1 96 96 GLY C C 13 171.829 0.300 . 1 . . . . 96 GLY C . 11256 1 1137 . 1 1 96 96 GLY CA C 13 44.689 0.300 . 1 . . . . 96 GLY CA . 11256 1 1138 . 1 1 96 96 GLY N N 15 110.731 0.300 . 1 . . . . 96 GLY N . 11256 1 stop_ save_