data_11283 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11283 _Entry.Title ; Solution Structure of the Ubiquitin-like Domain in Human FAS-associated factor 1 (hFAF1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 . . . 11283 2 M. Sato . . . 11283 3 S. Koshiba . . . 11283 4 S. Watanabe . . . 11283 5 T. Harada . . . 11283 6 T. Kigawa . . . 11283 7 S. Yokoyama . . . 11283 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)' . 11283 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11283 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 400 11283 '15N chemical shifts' 91 11283 '1H chemical shifts' 645 11283 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 . . 2011-08-18 2010-08-09 original author . 11283 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DZM 'BMRB Entry Tracking System' 11283 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11283 _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 Ubiquitin-like Domain in Human FAS-associated factor 1 (hFAF1) ; _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 . . . 11283 1 2 M. Sato . . . 11283 1 3 S. Koshiba . . . 11283 1 4 S. Watanabe . . . 11283 1 5 T. Harada . . . 11283 1 6 T. Kigawa . . . 11283 1 7 S. Yokoyama . . . 11283 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11283 _Assembly.ID 1 _Assembly.Name 'FAS-associated factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ubiquitin-like domain, residues 8-100' 1 $entity_1 A . yes native no no . . . 11283 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 2dzm . . . . . . 11283 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11283 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like domain, residues 8-100' _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 ; GSSGSSGRMLDFRVEYRDRN VDVVLEDTCTVGEIKQILEN ELQIPVSKMLLKGWKTGDVE DSTVLKSLHLPKNNSLYVLT PDLPPPSSSSHAGALQESLN ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DZM . "Solution Structure Of The Ubiquitin-Like Domain In Human Fas-Associated Factor 1 (Hfaf1)" . . . . . 100.00 100 100.00 100.00 8.43e-65 . . . . 11283 1 2 no DBJ BAF85529 . "unnamed protein product [Homo sapiens]" . . . . . 93.00 650 100.00 100.00 1.11e-55 . . . . 11283 1 3 no DBJ BAG11065 . "FAS-associated factor 1 [synthetic construct]" . . . . . 93.00 650 100.00 100.00 9.76e-56 . . . . 11283 1 4 no EMBL CAB63755 . "hypothetical protein [Homo sapiens]" . . . . . 93.00 554 100.00 100.00 2.78e-56 . . . . 11283 1 5 no EMBL CAB67705 . "Fas-associated factor, FAF1 [Homo sapiens]" . . . . . 93.00 650 100.00 100.00 9.76e-56 . . . . 11283 1 6 no GB AAA92091 . "FAF1 [Mus musculus]" . . . . . 93.00 649 97.85 98.92 2.84e-54 . . . . 11283 1 7 no GB AAD27713 . "CGI-03 protein [Homo sapiens]" . . . . . 93.00 650 100.00 100.00 9.76e-56 . . . . 11283 1 8 no GB AAD51876 . "Fas associated factor 1 [Homo sapiens]" . . . . . 90.00 490 100.00 100.00 7.87e-53 . . . . 11283 1 9 no GB AAD51886 . "fas-associated factor 1 [Homo sapiens]" . . . . . 93.00 650 100.00 100.00 1.07e-55 . . . . 11283 1 10 no GB AAH04970 . "Fas (TNFRSF6) associated factor 1 [Homo sapiens]" . . . . . 93.00 650 100.00 100.00 9.76e-56 . . . . 11283 1 11 no REF NP_001252796 . "FAS-associated factor 1 [Macaca mulatta]" . . . . . 93.00 650 97.85 100.00 1.13e-54 . . . . 11283 1 12 no REF NP_008982 . "FAS-associated factor 1 [Homo sapiens]" . . . . . 93.00 650 100.00 100.00 9.76e-56 . . . . 11283 1 13 no REF NP_032009 . "FAS-associated factor 1 [Mus musculus]" . . . . . 93.00 649 97.85 98.92 2.61e-54 . . . . 11283 1 14 no REF NP_569090 . "FAS-associated factor 1 [Rattus norvegicus]" . . . . . 93.00 649 97.85 98.92 2.56e-54 . . . . 11283 1 15 no REF XP_001137725 . "PREDICTED: FAS-associated factor 1 [Pan troglodytes]" . . . . . 93.00 650 98.92 100.00 3.14e-55 . . . . 11283 1 16 no SP P54731 . "RecName: Full=FAS-associated factor 1" . . . . . 93.00 649 97.85 98.92 2.61e-54 . . . . 11283 1 17 no SP Q924K2 . "RecName: Full=FAS-associated factor 1" . . . . . 93.00 649 97.85 98.92 2.56e-54 . . . . 11283 1 18 no SP Q9UNN5 . "RecName: Full=FAS-associated factor 1; Short=hFAF1; AltName: Full=UBX domain-containing protein 12; AltName: Full=UBX domain-co" . . . . . 93.00 650 100.00 100.00 9.76e-56 . . . . 11283 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain, residues 8-100' . 11283 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 . 11283 1 2 . SER . 11283 1 3 . SER . 11283 1 4 . GLY . 11283 1 5 . SER . 11283 1 6 . SER . 11283 1 7 . GLY . 11283 1 8 . ARG . 11283 1 9 . MET . 11283 1 10 . LEU . 11283 1 11 . ASP . 11283 1 12 . PHE . 11283 1 13 . ARG . 11283 1 14 . VAL . 11283 1 15 . GLU . 11283 1 16 . TYR . 11283 1 17 . ARG . 11283 1 18 . ASP . 11283 1 19 . ARG . 11283 1 20 . ASN . 11283 1 21 . VAL . 11283 1 22 . ASP . 11283 1 23 . VAL . 11283 1 24 . VAL . 11283 1 25 . LEU . 11283 1 26 . GLU . 11283 1 27 . ASP . 11283 1 28 . THR . 11283 1 29 . CYS . 11283 1 30 . THR . 11283 1 31 . VAL . 11283 1 32 . GLY . 11283 1 33 . GLU . 11283 1 34 . ILE . 11283 1 35 . LYS . 11283 1 36 . GLN . 11283 1 37 . ILE . 11283 1 38 . LEU . 11283 1 39 . GLU . 11283 1 40 . ASN . 11283 1 41 . GLU . 11283 1 42 . LEU . 11283 1 43 . GLN . 11283 1 44 . ILE . 11283 1 45 . PRO . 11283 1 46 . VAL . 11283 1 47 . SER . 11283 1 48 . LYS . 11283 1 49 . MET . 11283 1 50 . LEU . 11283 1 51 . LEU . 11283 1 52 . LYS . 11283 1 53 . GLY . 11283 1 54 . TRP . 11283 1 55 . LYS . 11283 1 56 . THR . 11283 1 57 . GLY . 11283 1 58 . ASP . 11283 1 59 . VAL . 11283 1 60 . GLU . 11283 1 61 . ASP . 11283 1 62 . SER . 11283 1 63 . THR . 11283 1 64 . VAL . 11283 1 65 . LEU . 11283 1 66 . LYS . 11283 1 67 . SER . 11283 1 68 . LEU . 11283 1 69 . HIS . 11283 1 70 . LEU . 11283 1 71 . PRO . 11283 1 72 . LYS . 11283 1 73 . ASN . 11283 1 74 . ASN . 11283 1 75 . SER . 11283 1 76 . LEU . 11283 1 77 . TYR . 11283 1 78 . VAL . 11283 1 79 . LEU . 11283 1 80 . THR . 11283 1 81 . PRO . 11283 1 82 . ASP . 11283 1 83 . LEU . 11283 1 84 . PRO . 11283 1 85 . PRO . 11283 1 86 . PRO . 11283 1 87 . SER . 11283 1 88 . SER . 11283 1 89 . SER . 11283 1 90 . SER . 11283 1 91 . HIS . 11283 1 92 . ALA . 11283 1 93 . GLY . 11283 1 94 . ALA . 11283 1 95 . LEU . 11283 1 96 . GLN . 11283 1 97 . GLU . 11283 1 98 . SER . 11283 1 99 . LEU . 11283 1 100 . ASN . 11283 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 11283 1 . SER 2 2 11283 1 . SER 3 3 11283 1 . GLY 4 4 11283 1 . SER 5 5 11283 1 . SER 6 6 11283 1 . GLY 7 7 11283 1 . ARG 8 8 11283 1 . MET 9 9 11283 1 . LEU 10 10 11283 1 . ASP 11 11 11283 1 . PHE 12 12 11283 1 . ARG 13 13 11283 1 . VAL 14 14 11283 1 . GLU 15 15 11283 1 . TYR 16 16 11283 1 . ARG 17 17 11283 1 . ASP 18 18 11283 1 . ARG 19 19 11283 1 . ASN 20 20 11283 1 . VAL 21 21 11283 1 . ASP 22 22 11283 1 . VAL 23 23 11283 1 . VAL 24 24 11283 1 . LEU 25 25 11283 1 . GLU 26 26 11283 1 . ASP 27 27 11283 1 . THR 28 28 11283 1 . CYS 29 29 11283 1 . THR 30 30 11283 1 . VAL 31 31 11283 1 . GLY 32 32 11283 1 . GLU 33 33 11283 1 . ILE 34 34 11283 1 . LYS 35 35 11283 1 . GLN 36 36 11283 1 . ILE 37 37 11283 1 . LEU 38 38 11283 1 . GLU 39 39 11283 1 . ASN 40 40 11283 1 . GLU 41 41 11283 1 . LEU 42 42 11283 1 . GLN 43 43 11283 1 . ILE 44 44 11283 1 . PRO 45 45 11283 1 . VAL 46 46 11283 1 . SER 47 47 11283 1 . LYS 48 48 11283 1 . MET 49 49 11283 1 . LEU 50 50 11283 1 . LEU 51 51 11283 1 . LYS 52 52 11283 1 . GLY 53 53 11283 1 . TRP 54 54 11283 1 . LYS 55 55 11283 1 . THR 56 56 11283 1 . GLY 57 57 11283 1 . ASP 58 58 11283 1 . VAL 59 59 11283 1 . GLU 60 60 11283 1 . ASP 61 61 11283 1 . SER 62 62 11283 1 . THR 63 63 11283 1 . VAL 64 64 11283 1 . LEU 65 65 11283 1 . LYS 66 66 11283 1 . SER 67 67 11283 1 . LEU 68 68 11283 1 . HIS 69 69 11283 1 . LEU 70 70 11283 1 . PRO 71 71 11283 1 . LYS 72 72 11283 1 . ASN 73 73 11283 1 . ASN 74 74 11283 1 . SER 75 75 11283 1 . LEU 76 76 11283 1 . TYR 77 77 11283 1 . VAL 78 78 11283 1 . LEU 79 79 11283 1 . THR 80 80 11283 1 . PRO 81 81 11283 1 . ASP 82 82 11283 1 . LEU 83 83 11283 1 . PRO 84 84 11283 1 . PRO 85 85 11283 1 . PRO 86 86 11283 1 . SER 87 87 11283 1 . SER 88 88 11283 1 . SER 89 89 11283 1 . SER 90 90 11283 1 . HIS 91 91 11283 1 . ALA 92 92 11283 1 . GLY 93 93 11283 1 . ALA 94 94 11283 1 . LEU 95 95 11283 1 . GLN 96 96 11283 1 . GLU 97 97 11283 1 . SER 98 98 11283 1 . LEU 99 99 11283 1 . ASN 100 100 11283 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 11283 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11283 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 11283 _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 . . P060327-21 . . . . . . 11283 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11283 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.17mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; _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' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 11283 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11283 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11283 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11283 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11283 1 6 H2O . . . . . . solvent 90 . . % . . . . 11283 1 7 D2O . . . . . . solvent 10 . . % . . . . 11283 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 11283 _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 11283 1 pH 7.0 0.05 pH 11283 1 pressure 1 0.001 atm 11283 1 temperature 296.0 0.1 K 11283 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11283 _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 . . 11283 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11283 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11283 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11283 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11283 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11283 _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.' . . 11283 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11283 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11283 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9748 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11283 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11283 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11283 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11283 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11283 5 'structure solution' 11283 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 11283 _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 11283 _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 . . . 11283 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 11283 _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 . . . . . . . . . . . . . . . . 11283 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11283 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 11283 _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 . . . . . . . . . 11283 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11283 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11283 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 11283 _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 11283 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11283 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 . . 11283 1 2 $NMRPipe . . 11283 1 3 $NMRView . . 11283 1 4 $Kujira . . 11283 1 5 $CYANA . . 11283 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 6 6 SER HA H 1 4.577 0.030 . 1 . . . . 6 SER HA . 11283 1 2 . 1 1 6 6 SER HB2 H 1 3.944 0.030 . 1 . . . . 6 SER HB2 . 11283 1 3 . 1 1 6 6 SER HB3 H 1 3.944 0.030 . 1 . . . . 6 SER HB3 . 11283 1 4 . 1 1 6 6 SER C C 13 174.879 0.300 . 1 . . . . 6 SER C . 11283 1 5 . 1 1 6 6 SER CA C 13 58.540 0.300 . 1 . . . . 6 SER CA . 11283 1 6 . 1 1 6 6 SER CB C 13 64.198 0.300 . 1 . . . . 6 SER CB . 11283 1 7 . 1 1 7 7 GLY H H 1 8.594 0.030 . 1 . . . . 7 GLY H . 11283 1 8 . 1 1 7 7 GLY HA2 H 1 3.909 0.030 . 2 . . . . 7 GLY HA2 . 11283 1 9 . 1 1 7 7 GLY HA3 H 1 4.174 0.030 . 2 . . . . 7 GLY HA3 . 11283 1 10 . 1 1 7 7 GLY C C 13 173.106 0.300 . 1 . . . . 7 GLY C . 11283 1 11 . 1 1 7 7 GLY CA C 13 45.133 0.300 . 1 . . . . 7 GLY CA . 11283 1 12 . 1 1 7 7 GLY N N 15 111.209 0.300 . 1 . . . . 7 GLY N . 11283 1 13 . 1 1 8 8 ARG H H 1 8.237 0.030 . 1 . . . . 8 ARG H . 11283 1 14 . 1 1 8 8 ARG HA H 1 4.346 0.030 . 1 . . . . 8 ARG HA . 11283 1 15 . 1 1 8 8 ARG HB2 H 1 1.621 0.030 . 2 . . . . 8 ARG HB2 . 11283 1 16 . 1 1 8 8 ARG HB3 H 1 1.824 0.030 . 2 . . . . 8 ARG HB3 . 11283 1 17 . 1 1 8 8 ARG HD2 H 1 3.201 0.030 . 1 . . . . 8 ARG HD2 . 11283 1 18 . 1 1 8 8 ARG HD3 H 1 3.201 0.030 . 1 . . . . 8 ARG HD3 . 11283 1 19 . 1 1 8 8 ARG HG2 H 1 1.421 0.030 . 2 . . . . 8 ARG HG2 . 11283 1 20 . 1 1 8 8 ARG HG3 H 1 1.610 0.030 . 2 . . . . 8 ARG HG3 . 11283 1 21 . 1 1 8 8 ARG C C 13 174.871 0.300 . 1 . . . . 8 ARG C . 11283 1 22 . 1 1 8 8 ARG CA C 13 55.966 0.300 . 1 . . . . 8 ARG CA . 11283 1 23 . 1 1 8 8 ARG CB C 13 31.385 0.300 . 1 . . . . 8 ARG CB . 11283 1 24 . 1 1 8 8 ARG CD C 13 43.803 0.300 . 1 . . . . 8 ARG CD . 11283 1 25 . 1 1 8 8 ARG CG C 13 27.783 0.300 . 1 . . . . 8 ARG CG . 11283 1 26 . 1 1 8 8 ARG N N 15 122.173 0.300 . 1 . . . . 8 ARG N . 11283 1 27 . 1 1 9 9 MET H H 1 8.243 0.030 . 1 . . . . 9 MET H . 11283 1 28 . 1 1 9 9 MET HA H 1 4.821 0.030 . 1 . . . . 9 MET HA . 11283 1 29 . 1 1 9 9 MET HB2 H 1 1.689 0.030 . 2 . . . . 9 MET HB2 . 11283 1 30 . 1 1 9 9 MET HB3 H 1 1.945 0.030 . 2 . . . . 9 MET HB3 . 11283 1 31 . 1 1 9 9 MET HE1 H 1 1.975 0.030 . 1 . . . . 9 MET HE . 11283 1 32 . 1 1 9 9 MET HE2 H 1 1.975 0.030 . 1 . . . . 9 MET HE . 11283 1 33 . 1 1 9 9 MET HE3 H 1 1.975 0.030 . 1 . . . . 9 MET HE . 11283 1 34 . 1 1 9 9 MET HG2 H 1 2.628 0.030 . 2 . . . . 9 MET HG2 . 11283 1 35 . 1 1 9 9 MET HG3 H 1 2.519 0.030 . 2 . . . . 9 MET HG3 . 11283 1 36 . 1 1 9 9 MET C C 13 175.852 0.300 . 1 . . . . 9 MET C . 11283 1 37 . 1 1 9 9 MET CA C 13 53.739 0.300 . 1 . . . . 9 MET CA . 11283 1 38 . 1 1 9 9 MET CB C 13 31.540 0.300 . 1 . . . . 9 MET CB . 11283 1 39 . 1 1 9 9 MET CE C 13 16.824 0.300 . 1 . . . . 9 MET CE . 11283 1 40 . 1 1 9 9 MET CG C 13 32.050 0.300 . 1 . . . . 9 MET CG . 11283 1 41 . 1 1 9 9 MET N N 15 122.536 0.300 . 1 . . . . 9 MET N . 11283 1 42 . 1 1 10 10 LEU H H 1 9.117 0.030 . 1 . . . . 10 LEU H . 11283 1 43 . 1 1 10 10 LEU HA H 1 4.587 0.030 . 1 . . . . 10 LEU HA . 11283 1 44 . 1 1 10 10 LEU HB2 H 1 1.940 0.030 . 2 . . . . 10 LEU HB2 . 11283 1 45 . 1 1 10 10 LEU HB3 H 1 0.942 0.030 . 2 . . . . 10 LEU HB3 . 11283 1 46 . 1 1 10 10 LEU HD11 H 1 1.019 0.030 . 1 . . . . 10 LEU HD1 . 11283 1 47 . 1 1 10 10 LEU HD12 H 1 1.019 0.030 . 1 . . . . 10 LEU HD1 . 11283 1 48 . 1 1 10 10 LEU HD13 H 1 1.019 0.030 . 1 . . . . 10 LEU HD1 . 11283 1 49 . 1 1 10 10 LEU HD21 H 1 0.792 0.030 . 1 . . . . 10 LEU HD2 . 11283 1 50 . 1 1 10 10 LEU HD22 H 1 0.792 0.030 . 1 . . . . 10 LEU HD2 . 11283 1 51 . 1 1 10 10 LEU HD23 H 1 0.792 0.030 . 1 . . . . 10 LEU HD2 . 11283 1 52 . 1 1 10 10 LEU HG H 1 1.610 0.030 . 1 . . . . 10 LEU HG . 11283 1 53 . 1 1 10 10 LEU C C 13 173.841 0.300 . 1 . . . . 10 LEU C . 11283 1 54 . 1 1 10 10 LEU CA C 13 53.627 0.300 . 1 . . . . 10 LEU CA . 11283 1 55 . 1 1 10 10 LEU CB C 13 46.106 0.300 . 1 . . . . 10 LEU CB . 11283 1 56 . 1 1 10 10 LEU CD1 C 13 28.029 0.300 . 2 . . . . 10 LEU CD1 . 11283 1 57 . 1 1 10 10 LEU CD2 C 13 23.097 0.300 . 2 . . . . 10 LEU CD2 . 11283 1 58 . 1 1 10 10 LEU CG C 13 27.293 0.300 . 1 . . . . 10 LEU CG . 11283 1 59 . 1 1 10 10 LEU N N 15 125.996 0.300 . 1 . . . . 10 LEU N . 11283 1 60 . 1 1 11 11 ASP H H 1 8.409 0.030 . 1 . . . . 11 ASP H . 11283 1 61 . 1 1 11 11 ASP HA H 1 5.205 0.030 . 1 . . . . 11 ASP HA . 11283 1 62 . 1 1 11 11 ASP HB2 H 1 2.533 0.030 . 2 . . . . 11 ASP HB2 . 11283 1 63 . 1 1 11 11 ASP HB3 H 1 2.651 0.030 . 2 . . . . 11 ASP HB3 . 11283 1 64 . 1 1 11 11 ASP C C 13 175.626 0.300 . 1 . . . . 11 ASP C . 11283 1 65 . 1 1 11 11 ASP CA C 13 53.403 0.300 . 1 . . . . 11 ASP CA . 11283 1 66 . 1 1 11 11 ASP CB C 13 43.273 0.300 . 1 . . . . 11 ASP CB . 11283 1 67 . 1 1 11 11 ASP N N 15 119.189 0.300 . 1 . . . . 11 ASP N . 11283 1 68 . 1 1 12 12 PHE H H 1 9.313 0.030 . 1 . . . . 12 PHE H . 11283 1 69 . 1 1 12 12 PHE HA H 1 4.942 0.030 . 1 . . . . 12 PHE HA . 11283 1 70 . 1 1 12 12 PHE HB2 H 1 2.927 0.030 . 2 . . . . 12 PHE HB2 . 11283 1 71 . 1 1 12 12 PHE HB3 H 1 2.347 0.030 . 2 . . . . 12 PHE HB3 . 11283 1 72 . 1 1 12 12 PHE HD1 H 1 6.840 0.030 . 1 . . . . 12 PHE HD1 . 11283 1 73 . 1 1 12 12 PHE HD2 H 1 6.840 0.030 . 1 . . . . 12 PHE HD2 . 11283 1 74 . 1 1 12 12 PHE HE1 H 1 7.099 0.030 . 1 . . . . 12 PHE HE1 . 11283 1 75 . 1 1 12 12 PHE HE2 H 1 7.099 0.030 . 1 . . . . 12 PHE HE2 . 11283 1 76 . 1 1 12 12 PHE HZ H 1 7.165 0.030 . 1 . . . . 12 PHE HZ . 11283 1 77 . 1 1 12 12 PHE C C 13 174.075 0.300 . 1 . . . . 12 PHE C . 11283 1 78 . 1 1 12 12 PHE CA C 13 56.629 0.300 . 1 . . . . 12 PHE CA . 11283 1 79 . 1 1 12 12 PHE CB C 13 41.686 0.300 . 1 . . . . 12 PHE CB . 11283 1 80 . 1 1 12 12 PHE CD1 C 13 131.947 0.300 . 1 . . . . 12 PHE CD1 . 11283 1 81 . 1 1 12 12 PHE CD2 C 13 131.947 0.300 . 1 . . . . 12 PHE CD2 . 11283 1 82 . 1 1 12 12 PHE CE1 C 13 130.932 0.300 . 1 . . . . 12 PHE CE1 . 11283 1 83 . 1 1 12 12 PHE CE2 C 13 130.932 0.300 . 1 . . . . 12 PHE CE2 . 11283 1 84 . 1 1 12 12 PHE CZ C 13 129.353 0.300 . 1 . . . . 12 PHE CZ . 11283 1 85 . 1 1 12 12 PHE N N 15 120.741 0.300 . 1 . . . . 12 PHE N . 11283 1 86 . 1 1 13 13 ARG H H 1 8.723 0.030 . 1 . . . . 13 ARG H . 11283 1 87 . 1 1 13 13 ARG HA H 1 5.077 0.030 . 1 . . . . 13 ARG HA . 11283 1 88 . 1 1 13 13 ARG HB2 H 1 1.932 0.030 . 2 . . . . 13 ARG HB2 . 11283 1 89 . 1 1 13 13 ARG HB3 H 1 1.766 0.030 . 2 . . . . 13 ARG HB3 . 11283 1 90 . 1 1 13 13 ARG HD2 H 1 3.117 0.030 . 1 . . . . 13 ARG HD2 . 11283 1 91 . 1 1 13 13 ARG HD3 H 1 3.117 0.030 . 1 . . . . 13 ARG HD3 . 11283 1 92 . 1 1 13 13 ARG HE H 1 8.109 0.030 . 1 . . . . 13 ARG HE . 11283 1 93 . 1 1 13 13 ARG HG2 H 1 1.589 0.030 . 2 . . . . 13 ARG HG2 . 11283 1 94 . 1 1 13 13 ARG HG3 H 1 1.471 0.030 . 2 . . . . 13 ARG HG3 . 11283 1 95 . 1 1 13 13 ARG C C 13 175.576 0.300 . 1 . . . . 13 ARG C . 11283 1 96 . 1 1 13 13 ARG CA C 13 55.332 0.300 . 1 . . . . 13 ARG CA . 11283 1 97 . 1 1 13 13 ARG CB C 13 30.433 0.300 . 1 . . . . 13 ARG CB . 11283 1 98 . 1 1 13 13 ARG CD C 13 43.189 0.300 . 1 . . . . 13 ARG CD . 11283 1 99 . 1 1 13 13 ARG CG C 13 27.289 0.300 . 1 . . . . 13 ARG CG . 11283 1 100 . 1 1 13 13 ARG N N 15 126.065 0.300 . 1 . . . . 13 ARG N . 11283 1 101 . 1 1 13 13 ARG NE N 15 85.540 0.300 . 1 . . . . 13 ARG NE . 11283 1 102 . 1 1 14 14 VAL H H 1 9.414 0.030 . 1 . . . . 14 VAL H . 11283 1 103 . 1 1 14 14 VAL HA H 1 4.587 0.030 . 1 . . . . 14 VAL HA . 11283 1 104 . 1 1 14 14 VAL HB H 1 1.995 0.030 . 1 . . . . 14 VAL HB . 11283 1 105 . 1 1 14 14 VAL HG11 H 1 0.655 0.030 . 1 . . . . 14 VAL HG1 . 11283 1 106 . 1 1 14 14 VAL HG12 H 1 0.655 0.030 . 1 . . . . 14 VAL HG1 . 11283 1 107 . 1 1 14 14 VAL HG13 H 1 0.655 0.030 . 1 . . . . 14 VAL HG1 . 11283 1 108 . 1 1 14 14 VAL HG21 H 1 0.735 0.030 . 1 . . . . 14 VAL HG2 . 11283 1 109 . 1 1 14 14 VAL HG22 H 1 0.735 0.030 . 1 . . . . 14 VAL HG2 . 11283 1 110 . 1 1 14 14 VAL HG23 H 1 0.735 0.030 . 1 . . . . 14 VAL HG2 . 11283 1 111 . 1 1 14 14 VAL C C 13 174.454 0.300 . 1 . . . . 14 VAL C . 11283 1 112 . 1 1 14 14 VAL CA C 13 61.055 0.300 . 1 . . . . 14 VAL CA . 11283 1 113 . 1 1 14 14 VAL CB C 13 32.904 0.300 . 1 . . . . 14 VAL CB . 11283 1 114 . 1 1 14 14 VAL CG1 C 13 22.192 0.300 . 2 . . . . 14 VAL CG1 . 11283 1 115 . 1 1 14 14 VAL CG2 C 13 20.547 0.300 . 2 . . . . 14 VAL CG2 . 11283 1 116 . 1 1 14 14 VAL N N 15 128.091 0.300 . 1 . . . . 14 VAL N . 11283 1 117 . 1 1 15 15 GLU H H 1 8.498 0.030 . 1 . . . . 15 GLU H . 11283 1 118 . 1 1 15 15 GLU HA H 1 5.040 0.030 . 1 . . . . 15 GLU HA . 11283 1 119 . 1 1 15 15 GLU HB2 H 1 2.102 0.030 . 2 . . . . 15 GLU HB2 . 11283 1 120 . 1 1 15 15 GLU HB3 H 1 2.165 0.030 . 2 . . . . 15 GLU HB3 . 11283 1 121 . 1 1 15 15 GLU HG2 H 1 2.323 0.030 . 2 . . . . 15 GLU HG2 . 11283 1 122 . 1 1 15 15 GLU HG3 H 1 2.202 0.030 . 2 . . . . 15 GLU HG3 . 11283 1 123 . 1 1 15 15 GLU C C 13 175.445 0.300 . 1 . . . . 15 GLU C . 11283 1 124 . 1 1 15 15 GLU CA C 13 55.516 0.300 . 1 . . . . 15 GLU CA . 11283 1 125 . 1 1 15 15 GLU CB C 13 32.340 0.300 . 1 . . . . 15 GLU CB . 11283 1 126 . 1 1 15 15 GLU CG C 13 36.662 0.300 . 1 . . . . 15 GLU CG . 11283 1 127 . 1 1 15 15 GLU N N 15 128.524 0.300 . 1 . . . . 15 GLU N . 11283 1 128 . 1 1 16 16 TYR H H 1 8.840 0.030 . 1 . . . . 16 TYR H . 11283 1 129 . 1 1 16 16 TYR HA H 1 5.054 0.030 . 1 . . . . 16 TYR HA . 11283 1 130 . 1 1 16 16 TYR HB2 H 1 2.774 0.030 . 2 . . . . 16 TYR HB2 . 11283 1 131 . 1 1 16 16 TYR HB3 H 1 2.604 0.030 . 2 . . . . 16 TYR HB3 . 11283 1 132 . 1 1 16 16 TYR HD1 H 1 7.207 0.030 . 1 . . . . 16 TYR HD1 . 11283 1 133 . 1 1 16 16 TYR HD2 H 1 7.207 0.030 . 1 . . . . 16 TYR HD2 . 11283 1 134 . 1 1 16 16 TYR HE1 H 1 6.812 0.030 . 1 . . . . 16 TYR HE1 . 11283 1 135 . 1 1 16 16 TYR HE2 H 1 6.812 0.030 . 1 . . . . 16 TYR HE2 . 11283 1 136 . 1 1 16 16 TYR C C 13 174.060 0.300 . 1 . . . . 16 TYR C . 11283 1 137 . 1 1 16 16 TYR CA C 13 56.916 0.300 . 1 . . . . 16 TYR CA . 11283 1 138 . 1 1 16 16 TYR CB C 13 40.700 0.300 . 1 . . . . 16 TYR CB . 11283 1 139 . 1 1 16 16 TYR CD1 C 13 133.323 0.300 . 1 . . . . 16 TYR CD1 . 11283 1 140 . 1 1 16 16 TYR CD2 C 13 133.323 0.300 . 1 . . . . 16 TYR CD2 . 11283 1 141 . 1 1 16 16 TYR CE1 C 13 118.061 0.300 . 1 . . . . 16 TYR CE1 . 11283 1 142 . 1 1 16 16 TYR CE2 C 13 118.061 0.300 . 1 . . . . 16 TYR CE2 . 11283 1 143 . 1 1 16 16 TYR N N 15 124.120 0.300 . 1 . . . . 16 TYR N . 11283 1 144 . 1 1 17 17 ARG H H 1 9.009 0.030 . 1 . . . . 17 ARG H . 11283 1 145 . 1 1 17 17 ARG HA H 1 3.542 0.030 . 1 . . . . 17 ARG HA . 11283 1 146 . 1 1 17 17 ARG HB2 H 1 1.582 0.030 . 2 . . . . 17 ARG HB2 . 11283 1 147 . 1 1 17 17 ARG HB3 H 1 1.462 0.030 . 2 . . . . 17 ARG HB3 . 11283 1 148 . 1 1 17 17 ARG HD2 H 1 2.744 0.030 . 2 . . . . 17 ARG HD2 . 11283 1 149 . 1 1 17 17 ARG HD3 H 1 2.860 0.030 . 2 . . . . 17 ARG HD3 . 11283 1 150 . 1 1 17 17 ARG HG2 H 1 0.703 0.030 . 2 . . . . 17 ARG HG2 . 11283 1 151 . 1 1 17 17 ARG HG3 H 1 1.176 0.030 . 2 . . . . 17 ARG HG3 . 11283 1 152 . 1 1 17 17 ARG C C 13 175.235 0.300 . 1 . . . . 17 ARG C . 11283 1 153 . 1 1 17 17 ARG CA C 13 58.605 0.300 . 1 . . . . 17 ARG CA . 11283 1 154 . 1 1 17 17 ARG CB C 13 27.416 0.300 . 1 . . . . 17 ARG CB . 11283 1 155 . 1 1 17 17 ARG CD C 13 43.962 0.300 . 1 . . . . 17 ARG CD . 11283 1 156 . 1 1 17 17 ARG CG C 13 27.371 0.300 . 1 . . . . 17 ARG CG . 11283 1 157 . 1 1 17 17 ARG N N 15 125.511 0.300 . 1 . . . . 17 ARG N . 11283 1 158 . 1 1 18 18 ASP H H 1 8.573 0.030 . 1 . . . . 18 ASP H . 11283 1 159 . 1 1 18 18 ASP HA H 1 4.489 0.030 . 1 . . . . 18 ASP HA . 11283 1 160 . 1 1 18 18 ASP HB2 H 1 2.905 0.030 . 2 . . . . 18 ASP HB2 . 11283 1 161 . 1 1 18 18 ASP HB3 H 1 2.691 0.030 . 2 . . . . 18 ASP HB3 . 11283 1 162 . 1 1 18 18 ASP C C 13 175.115 0.300 . 1 . . . . 18 ASP C . 11283 1 163 . 1 1 18 18 ASP CA C 13 54.605 0.300 . 1 . . . . 18 ASP CA . 11283 1 164 . 1 1 18 18 ASP CB C 13 40.093 0.300 . 1 . . . . 18 ASP CB . 11283 1 165 . 1 1 18 18 ASP N N 15 118.587 0.300 . 1 . . . . 18 ASP N . 11283 1 166 . 1 1 19 19 ARG H H 1 8.418 0.030 . 1 . . . . 19 ARG H . 11283 1 167 . 1 1 19 19 ARG HA H 1 4.674 0.030 . 1 . . . . 19 ARG HA . 11283 1 168 . 1 1 19 19 ARG HB2 H 1 1.893 0.030 . 2 . . . . 19 ARG HB2 . 11283 1 169 . 1 1 19 19 ARG HB3 H 1 2.013 0.030 . 2 . . . . 19 ARG HB3 . 11283 1 170 . 1 1 19 19 ARG HD2 H 1 3.197 0.030 . 2 . . . . 19 ARG HD2 . 11283 1 171 . 1 1 19 19 ARG HD3 H 1 3.267 0.030 . 2 . . . . 19 ARG HD3 . 11283 1 172 . 1 1 19 19 ARG HG2 H 1 1.723 0.030 . 1 . . . . 19 ARG HG2 . 11283 1 173 . 1 1 19 19 ARG HG3 H 1 1.723 0.030 . 1 . . . . 19 ARG HG3 . 11283 1 174 . 1 1 19 19 ARG C C 13 174.620 0.300 . 1 . . . . 19 ARG C . 11283 1 175 . 1 1 19 19 ARG CA C 13 54.983 0.300 . 1 . . . . 19 ARG CA . 11283 1 176 . 1 1 19 19 ARG CB C 13 32.947 0.300 . 1 . . . . 19 ARG CB . 11283 1 177 . 1 1 19 19 ARG CD C 13 43.704 0.300 . 1 . . . . 19 ARG CD . 11283 1 178 . 1 1 19 19 ARG CG C 13 26.714 0.300 . 1 . . . . 19 ARG CG . 11283 1 179 . 1 1 19 19 ARG N N 15 120.610 0.300 . 1 . . . . 19 ARG N . 11283 1 180 . 1 1 20 20 ASN H H 1 8.449 0.030 . 1 . . . . 20 ASN H . 11283 1 181 . 1 1 20 20 ASN HA H 1 5.609 0.030 . 1 . . . . 20 ASN HA . 11283 1 182 . 1 1 20 20 ASN HB2 H 1 2.352 0.030 . 2 . . . . 20 ASN HB2 . 11283 1 183 . 1 1 20 20 ASN HB3 H 1 2.504 0.030 . 2 . . . . 20 ASN HB3 . 11283 1 184 . 1 1 20 20 ASN HD21 H 1 6.787 0.030 . 2 . . . . 20 ASN HD21 . 11283 1 185 . 1 1 20 20 ASN HD22 H 1 7.293 0.030 . 2 . . . . 20 ASN HD22 . 11283 1 186 . 1 1 20 20 ASN C C 13 174.567 0.300 . 1 . . . . 20 ASN C . 11283 1 187 . 1 1 20 20 ASN CA C 13 52.590 0.300 . 1 . . . . 20 ASN CA . 11283 1 188 . 1 1 20 20 ASN CB C 13 42.141 0.300 . 1 . . . . 20 ASN CB . 11283 1 189 . 1 1 20 20 ASN N N 15 119.045 0.300 . 1 . . . . 20 ASN N . 11283 1 190 . 1 1 20 20 ASN ND2 N 15 112.563 0.300 . 1 . . . . 20 ASN ND2 . 11283 1 191 . 1 1 21 21 VAL H H 1 9.234 0.030 . 1 . . . . 21 VAL H . 11283 1 192 . 1 1 21 21 VAL HA H 1 4.376 0.030 . 1 . . . . 21 VAL HA . 11283 1 193 . 1 1 21 21 VAL HB H 1 1.892 0.030 . 1 . . . . 21 VAL HB . 11283 1 194 . 1 1 21 21 VAL HG11 H 1 0.791 0.030 . 1 . . . . 21 VAL HG1 . 11283 1 195 . 1 1 21 21 VAL HG12 H 1 0.791 0.030 . 1 . . . . 21 VAL HG1 . 11283 1 196 . 1 1 21 21 VAL HG13 H 1 0.791 0.030 . 1 . . . . 21 VAL HG1 . 11283 1 197 . 1 1 21 21 VAL HG21 H 1 0.808 0.030 . 1 . . . . 21 VAL HG2 . 11283 1 198 . 1 1 21 21 VAL HG22 H 1 0.808 0.030 . 1 . . . . 21 VAL HG2 . 11283 1 199 . 1 1 21 21 VAL HG23 H 1 0.808 0.030 . 1 . . . . 21 VAL HG2 . 11283 1 200 . 1 1 21 21 VAL C C 13 173.778 0.300 . 1 . . . . 21 VAL C . 11283 1 201 . 1 1 21 21 VAL CA C 13 60.765 0.300 . 1 . . . . 21 VAL CA . 11283 1 202 . 1 1 21 21 VAL CB C 13 34.913 0.300 . 1 . . . . 21 VAL CB . 11283 1 203 . 1 1 21 21 VAL CG1 C 13 20.629 0.300 . 2 . . . . 21 VAL CG1 . 11283 1 204 . 1 1 21 21 VAL CG2 C 13 21.832 0.300 . 2 . . . . 21 VAL CG2 . 11283 1 205 . 1 1 21 21 VAL N N 15 122.048 0.300 . 1 . . . . 21 VAL N . 11283 1 206 . 1 1 22 22 ASP H H 1 8.565 0.030 . 1 . . . . 22 ASP H . 11283 1 207 . 1 1 22 22 ASP HA H 1 5.710 0.030 . 1 . . . . 22 ASP HA . 11283 1 208 . 1 1 22 22 ASP HB2 H 1 2.579 0.030 . 2 . . . . 22 ASP HB2 . 11283 1 209 . 1 1 22 22 ASP HB3 H 1 2.510 0.030 . 2 . . . . 22 ASP HB3 . 11283 1 210 . 1 1 22 22 ASP C C 13 175.636 0.300 . 1 . . . . 22 ASP C . 11283 1 211 . 1 1 22 22 ASP CA C 13 53.891 0.300 . 1 . . . . 22 ASP CA . 11283 1 212 . 1 1 22 22 ASP CB C 13 42.420 0.300 . 1 . . . . 22 ASP CB . 11283 1 213 . 1 1 22 22 ASP N N 15 126.124 0.300 . 1 . . . . 22 ASP N . 11283 1 214 . 1 1 23 23 VAL H H 1 9.418 0.030 . 1 . . . . 23 VAL H . 11283 1 215 . 1 1 23 23 VAL HA H 1 4.465 0.030 . 1 . . . . 23 VAL HA . 11283 1 216 . 1 1 23 23 VAL HB H 1 2.114 0.030 . 1 . . . . 23 VAL HB . 11283 1 217 . 1 1 23 23 VAL HG11 H 1 0.963 0.030 . 1 . . . . 23 VAL HG1 . 11283 1 218 . 1 1 23 23 VAL HG12 H 1 0.963 0.030 . 1 . . . . 23 VAL HG1 . 11283 1 219 . 1 1 23 23 VAL HG13 H 1 0.963 0.030 . 1 . . . . 23 VAL HG1 . 11283 1 220 . 1 1 23 23 VAL HG21 H 1 0.850 0.030 . 1 . . . . 23 VAL HG2 . 11283 1 221 . 1 1 23 23 VAL HG22 H 1 0.850 0.030 . 1 . . . . 23 VAL HG2 . 11283 1 222 . 1 1 23 23 VAL HG23 H 1 0.850 0.030 . 1 . . . . 23 VAL HG2 . 11283 1 223 . 1 1 23 23 VAL C C 13 174.137 0.300 . 1 . . . . 23 VAL C . 11283 1 224 . 1 1 23 23 VAL CA C 13 61.098 0.300 . 1 . . . . 23 VAL CA . 11283 1 225 . 1 1 23 23 VAL CB C 13 35.239 0.300 . 1 . . . . 23 VAL CB . 11283 1 226 . 1 1 23 23 VAL CG1 C 13 22.192 0.300 . 2 . . . . 23 VAL CG1 . 11283 1 227 . 1 1 23 23 VAL CG2 C 13 20.712 0.300 . 2 . . . . 23 VAL CG2 . 11283 1 228 . 1 1 23 23 VAL N N 15 123.313 0.300 . 1 . . . . 23 VAL N . 11283 1 229 . 1 1 24 24 VAL H H 1 8.458 0.030 . 1 . . . . 24 VAL H . 11283 1 230 . 1 1 24 24 VAL HA H 1 5.437 0.030 . 1 . . . . 24 VAL HA . 11283 1 231 . 1 1 24 24 VAL HB H 1 1.940 0.030 . 1 . . . . 24 VAL HB . 11283 1 232 . 1 1 24 24 VAL HG11 H 1 0.910 0.030 . 1 . . . . 24 VAL HG1 . 11283 1 233 . 1 1 24 24 VAL HG12 H 1 0.910 0.030 . 1 . . . . 24 VAL HG1 . 11283 1 234 . 1 1 24 24 VAL HG13 H 1 0.910 0.030 . 1 . . . . 24 VAL HG1 . 11283 1 235 . 1 1 24 24 VAL C C 13 175.308 0.300 . 1 . . . . 24 VAL C . 11283 1 236 . 1 1 24 24 VAL CA C 13 60.752 0.300 . 1 . . . . 24 VAL CA . 11283 1 237 . 1 1 24 24 VAL CB C 13 34.075 0.300 . 1 . . . . 24 VAL CB . 11283 1 238 . 1 1 24 24 VAL CG1 C 13 20.958 0.300 . 2 . . . . 24 VAL CG1 . 11283 1 239 . 1 1 24 24 VAL CG2 C 13 20.958 0.300 . 2 . . . . 24 VAL CG2 . 11283 1 240 . 1 1 24 24 VAL N N 15 127.341 0.300 . 1 . . . . 24 VAL N . 11283 1 241 . 1 1 25 25 LEU H H 1 8.881 0.030 . 1 . . . . 25 LEU H . 11283 1 242 . 1 1 25 25 LEU HA H 1 4.833 0.030 . 1 . . . . 25 LEU HA . 11283 1 243 . 1 1 25 25 LEU HB2 H 1 1.754 0.030 . 1 . . . . 25 LEU HB2 . 11283 1 244 . 1 1 25 25 LEU HB3 H 1 1.754 0.030 . 1 . . . . 25 LEU HB3 . 11283 1 245 . 1 1 25 25 LEU HD11 H 1 0.711 0.030 . 1 . . . . 25 LEU HD1 . 11283 1 246 . 1 1 25 25 LEU HD12 H 1 0.711 0.030 . 1 . . . . 25 LEU HD1 . 11283 1 247 . 1 1 25 25 LEU HD13 H 1 0.711 0.030 . 1 . . . . 25 LEU HD1 . 11283 1 248 . 1 1 25 25 LEU HD21 H 1 0.914 0.030 . 1 . . . . 25 LEU HD2 . 11283 1 249 . 1 1 25 25 LEU HD22 H 1 0.914 0.030 . 1 . . . . 25 LEU HD2 . 11283 1 250 . 1 1 25 25 LEU HD23 H 1 0.914 0.030 . 1 . . . . 25 LEU HD2 . 11283 1 251 . 1 1 25 25 LEU HG H 1 1.768 0.030 . 1 . . . . 25 LEU HG . 11283 1 252 . 1 1 25 25 LEU C C 13 174.428 0.300 . 1 . . . . 25 LEU C . 11283 1 253 . 1 1 25 25 LEU CA C 13 54.618 0.300 . 1 . . . . 25 LEU CA . 11283 1 254 . 1 1 25 25 LEU CB C 13 45.350 0.300 . 1 . . . . 25 LEU CB . 11283 1 255 . 1 1 25 25 LEU CD1 C 13 26.849 0.300 . 2 . . . . 25 LEU CD1 . 11283 1 256 . 1 1 25 25 LEU CD2 C 13 24.823 0.300 . 2 . . . . 25 LEU CD2 . 11283 1 257 . 1 1 25 25 LEU CG C 13 27.125 0.300 . 1 . . . . 25 LEU CG . 11283 1 258 . 1 1 25 25 LEU N N 15 126.804 0.300 . 1 . . . . 25 LEU N . 11283 1 259 . 1 1 26 26 GLU H H 1 8.546 0.030 . 1 . . . . 26 GLU H . 11283 1 260 . 1 1 26 26 GLU HA H 1 4.833 0.030 . 1 . . . . 26 GLU HA . 11283 1 261 . 1 1 26 26 GLU HB2 H 1 2.092 0.030 . 2 . . . . 26 GLU HB2 . 11283 1 262 . 1 1 26 26 GLU HB3 H 1 2.179 0.030 . 2 . . . . 26 GLU HB3 . 11283 1 263 . 1 1 26 26 GLU HG2 H 1 2.514 0.030 . 2 . . . . 26 GLU HG2 . 11283 1 264 . 1 1 26 26 GLU HG3 H 1 2.387 0.030 . 2 . . . . 26 GLU HG3 . 11283 1 265 . 1 1 26 26 GLU C C 13 177.983 0.300 . 1 . . . . 26 GLU C . 11283 1 266 . 1 1 26 26 GLU CA C 13 56.992 0.300 . 1 . . . . 26 GLU CA . 11283 1 267 . 1 1 26 26 GLU CB C 13 31.472 0.300 . 1 . . . . 26 GLU CB . 11283 1 268 . 1 1 26 26 GLU CG C 13 38.063 0.300 . 1 . . . . 26 GLU CG . 11283 1 269 . 1 1 26 26 GLU N N 15 121.992 0.300 . 1 . . . . 26 GLU N . 11283 1 270 . 1 1 27 27 ASP H H 1 8.786 0.030 . 1 . . . . 27 ASP H . 11283 1 271 . 1 1 27 27 ASP HA H 1 4.214 0.030 . 1 . . . . 27 ASP HA . 11283 1 272 . 1 1 27 27 ASP HB2 H 1 2.586 0.030 . 2 . . . . 27 ASP HB2 . 11283 1 273 . 1 1 27 27 ASP HB3 H 1 2.752 0.030 . 2 . . . . 27 ASP HB3 . 11283 1 274 . 1 1 27 27 ASP C C 13 174.717 0.300 . 1 . . . . 27 ASP C . 11283 1 275 . 1 1 27 27 ASP CA C 13 55.544 0.300 . 1 . . . . 27 ASP CA . 11283 1 276 . 1 1 27 27 ASP CB C 13 39.672 0.300 . 1 . . . . 27 ASP CB . 11283 1 277 . 1 1 27 27 ASP N N 15 120.995 0.300 . 1 . . . . 27 ASP N . 11283 1 278 . 1 1 28 28 THR H H 1 7.135 0.030 . 1 . . . . 28 THR H . 11283 1 279 . 1 1 28 28 THR HA H 1 4.099 0.030 . 1 . . . . 28 THR HA . 11283 1 280 . 1 1 28 28 THR HB H 1 4.466 0.030 . 1 . . . . 28 THR HB . 11283 1 281 . 1 1 28 28 THR HG21 H 1 1.305 0.030 . 1 . . . . 28 THR HG2 . 11283 1 282 . 1 1 28 28 THR HG22 H 1 1.305 0.030 . 1 . . . . 28 THR HG2 . 11283 1 283 . 1 1 28 28 THR HG23 H 1 1.305 0.030 . 1 . . . . 28 THR HG2 . 11283 1 284 . 1 1 28 28 THR C C 13 176.102 0.300 . 1 . . . . 28 THR C . 11283 1 285 . 1 1 28 28 THR CA C 13 61.786 0.300 . 1 . . . . 28 THR CA . 11283 1 286 . 1 1 28 28 THR CB C 13 68.686 0.300 . 1 . . . . 28 THR CB . 11283 1 287 . 1 1 28 28 THR CG2 C 13 22.849 0.300 . 1 . . . . 28 THR CG2 . 11283 1 288 . 1 1 28 28 THR N N 15 107.334 0.300 . 1 . . . . 28 THR N . 11283 1 289 . 1 1 29 29 CYS H H 1 7.952 0.030 . 1 . . . . 29 CYS H . 11283 1 290 . 1 1 29 29 CYS HA H 1 4.582 0.030 . 1 . . . . 29 CYS HA . 11283 1 291 . 1 1 29 29 CYS HB2 H 1 3.042 0.030 . 2 . . . . 29 CYS HB2 . 11283 1 292 . 1 1 29 29 CYS HB3 H 1 2.984 0.030 . 2 . . . . 29 CYS HB3 . 11283 1 293 . 1 1 29 29 CYS C C 13 173.132 0.300 . 1 . . . . 29 CYS C . 11283 1 294 . 1 1 29 29 CYS CA C 13 60.293 0.300 . 1 . . . . 29 CYS CA . 11283 1 295 . 1 1 29 29 CYS CB C 13 29.436 0.300 . 1 . . . . 29 CYS CB . 11283 1 296 . 1 1 29 29 CYS N N 15 120.879 0.300 . 1 . . . . 29 CYS N . 11283 1 297 . 1 1 30 30 THR H H 1 8.393 0.030 . 1 . . . . 30 THR H . 11283 1 298 . 1 1 30 30 THR HA H 1 5.262 0.030 . 1 . . . . 30 THR HA . 11283 1 299 . 1 1 30 30 THR HB H 1 4.689 0.030 . 1 . . . . 30 THR HB . 11283 1 300 . 1 1 30 30 THR HG21 H 1 1.155 0.030 . 1 . . . . 30 THR HG2 . 11283 1 301 . 1 1 30 30 THR HG22 H 1 1.155 0.030 . 1 . . . . 30 THR HG2 . 11283 1 302 . 1 1 30 30 THR HG23 H 1 1.155 0.030 . 1 . . . . 30 THR HG2 . 11283 1 303 . 1 1 30 30 THR C C 13 176.636 0.300 . 1 . . . . 30 THR C . 11283 1 304 . 1 1 30 30 THR CA C 13 59.608 0.300 . 1 . . . . 30 THR CA . 11283 1 305 . 1 1 30 30 THR CB C 13 72.149 0.300 . 1 . . . . 30 THR CB . 11283 1 306 . 1 1 30 30 THR CG2 C 13 22.274 0.300 . 1 . . . . 30 THR CG2 . 11283 1 307 . 1 1 30 30 THR N N 15 109.339 0.300 . 1 . . . . 30 THR N . 11283 1 308 . 1 1 31 31 VAL H H 1 8.033 0.030 . 1 . . . . 31 VAL H . 11283 1 309 . 1 1 31 31 VAL HA H 1 3.374 0.030 . 1 . . . . 31 VAL HA . 11283 1 310 . 1 1 31 31 VAL HB H 1 2.231 0.030 . 1 . . . . 31 VAL HB . 11283 1 311 . 1 1 31 31 VAL HG11 H 1 0.922 0.030 . 1 . . . . 31 VAL HG1 . 11283 1 312 . 1 1 31 31 VAL HG12 H 1 0.922 0.030 . 1 . . . . 31 VAL HG1 . 11283 1 313 . 1 1 31 31 VAL HG13 H 1 0.922 0.030 . 1 . . . . 31 VAL HG1 . 11283 1 314 . 1 1 31 31 VAL HG21 H 1 0.606 0.030 . 1 . . . . 31 VAL HG2 . 11283 1 315 . 1 1 31 31 VAL HG22 H 1 0.606 0.030 . 1 . . . . 31 VAL HG2 . 11283 1 316 . 1 1 31 31 VAL HG23 H 1 0.606 0.030 . 1 . . . . 31 VAL HG2 . 11283 1 317 . 1 1 31 31 VAL C C 13 179.140 0.300 . 1 . . . . 31 VAL C . 11283 1 318 . 1 1 31 31 VAL CA C 13 66.942 0.300 . 1 . . . . 31 VAL CA . 11283 1 319 . 1 1 31 31 VAL CB C 13 31.903 0.300 . 1 . . . . 31 VAL CB . 11283 1 320 . 1 1 31 31 VAL CG1 C 13 21.698 0.300 . 2 . . . . 31 VAL CG1 . 11283 1 321 . 1 1 31 31 VAL CG2 C 13 23.589 0.300 . 2 . . . . 31 VAL CG2 . 11283 1 322 . 1 1 31 31 VAL N N 15 121.273 0.300 . 1 . . . . 31 VAL N . 11283 1 323 . 1 1 32 32 GLY H H 1 9.547 0.030 . 1 . . . . 32 GLY H . 11283 1 324 . 1 1 32 32 GLY HA2 H 1 3.500 0.030 . 2 . . . . 32 GLY HA2 . 11283 1 325 . 1 1 32 32 GLY HA3 H 1 3.964 0.030 . 2 . . . . 32 GLY HA3 . 11283 1 326 . 1 1 32 32 GLY C C 13 176.521 0.300 . 1 . . . . 32 GLY C . 11283 1 327 . 1 1 32 32 GLY CA C 13 46.734 0.300 . 1 . . . . 32 GLY CA . 11283 1 328 . 1 1 32 32 GLY N N 15 106.836 0.300 . 1 . . . . 32 GLY N . 11283 1 329 . 1 1 33 33 GLU H H 1 7.879 0.030 . 1 . . . . 33 GLU H . 11283 1 330 . 1 1 33 33 GLU HA H 1 4.017 0.030 . 1 . . . . 33 GLU HA . 11283 1 331 . 1 1 33 33 GLU HB2 H 1 2.127 0.030 . 2 . . . . 33 GLU HB2 . 11283 1 332 . 1 1 33 33 GLU HB3 H 1 2.411 0.030 . 2 . . . . 33 GLU HB3 . 11283 1 333 . 1 1 33 33 GLU HG2 H 1 2.358 0.030 . 2 . . . . 33 GLU HG2 . 11283 1 334 . 1 1 33 33 GLU HG3 H 1 2.318 0.030 . 2 . . . . 33 GLU HG3 . 11283 1 335 . 1 1 33 33 GLU C C 13 179.459 0.300 . 1 . . . . 33 GLU C . 11283 1 336 . 1 1 33 33 GLU CA C 13 59.923 0.300 . 1 . . . . 33 GLU CA . 11283 1 337 . 1 1 33 33 GLU CB C 13 29.328 0.300 . 1 . . . . 33 GLU CB . 11283 1 338 . 1 1 33 33 GLU CG C 13 38.636 0.300 . 1 . . . . 33 GLU CG . 11283 1 339 . 1 1 33 33 GLU N N 15 122.503 0.300 . 1 . . . . 33 GLU N . 11283 1 340 . 1 1 34 34 ILE H H 1 7.712 0.030 . 1 . . . . 34 ILE H . 11283 1 341 . 1 1 34 34 ILE HA H 1 3.462 0.030 . 1 . . . . 34 ILE HA . 11283 1 342 . 1 1 34 34 ILE HB H 1 2.018 0.030 . 1 . . . . 34 ILE HB . 11283 1 343 . 1 1 34 34 ILE HD11 H 1 0.214 0.030 . 1 . . . . 34 ILE HD1 . 11283 1 344 . 1 1 34 34 ILE HD12 H 1 0.214 0.030 . 1 . . . . 34 ILE HD1 . 11283 1 345 . 1 1 34 34 ILE HD13 H 1 0.214 0.030 . 1 . . . . 34 ILE HD1 . 11283 1 346 . 1 1 34 34 ILE HG12 H 1 0.362 0.030 . 2 . . . . 34 ILE HG12 . 11283 1 347 . 1 1 34 34 ILE HG13 H 1 1.661 0.030 . 2 . . . . 34 ILE HG13 . 11283 1 348 . 1 1 34 34 ILE HG21 H 1 0.499 0.030 . 1 . . . . 34 ILE HG2 . 11283 1 349 . 1 1 34 34 ILE HG22 H 1 0.499 0.030 . 1 . . . . 34 ILE HG2 . 11283 1 350 . 1 1 34 34 ILE HG23 H 1 0.499 0.030 . 1 . . . . 34 ILE HG2 . 11283 1 351 . 1 1 34 34 ILE C C 13 178.425 0.300 . 1 . . . . 34 ILE C . 11283 1 352 . 1 1 34 34 ILE CA C 13 66.130 0.300 . 1 . . . . 34 ILE CA . 11283 1 353 . 1 1 34 34 ILE CB C 13 37.489 0.300 . 1 . . . . 34 ILE CB . 11283 1 354 . 1 1 34 34 ILE CD1 C 13 13.500 0.300 . 1 . . . . 34 ILE CD1 . 11283 1 355 . 1 1 34 34 ILE CG1 C 13 28.851 0.300 . 1 . . . . 34 ILE CG1 . 11283 1 356 . 1 1 34 34 ILE CG2 C 13 16.518 0.300 . 1 . . . . 34 ILE CG2 . 11283 1 357 . 1 1 34 34 ILE N N 15 119.579 0.300 . 1 . . . . 34 ILE N . 11283 1 358 . 1 1 35 35 LYS H H 1 7.070 0.030 . 1 . . . . 35 LYS H . 11283 1 359 . 1 1 35 35 LYS HA H 1 3.781 0.030 . 1 . . . . 35 LYS HA . 11283 1 360 . 1 1 35 35 LYS HB2 H 1 2.078 0.030 . 2 . . . . 35 LYS HB2 . 11283 1 361 . 1 1 35 35 LYS HB3 H 1 1.999 0.030 . 2 . . . . 35 LYS HB3 . 11283 1 362 . 1 1 35 35 LYS HD2 H 1 1.767 0.030 . 1 . . . . 35 LYS HD2 . 11283 1 363 . 1 1 35 35 LYS HD3 H 1 1.767 0.030 . 1 . . . . 35 LYS HD3 . 11283 1 364 . 1 1 35 35 LYS HE2 H 1 2.859 0.030 . 2 . . . . 35 LYS HE2 . 11283 1 365 . 1 1 35 35 LYS HE3 H 1 2.799 0.030 . 2 . . . . 35 LYS HE3 . 11283 1 366 . 1 1 35 35 LYS HG2 H 1 1.146 0.030 . 2 . . . . 35 LYS HG2 . 11283 1 367 . 1 1 35 35 LYS HG3 H 1 1.554 0.030 . 2 . . . . 35 LYS HG3 . 11283 1 368 . 1 1 35 35 LYS C C 13 177.391 0.300 . 1 . . . . 35 LYS C . 11283 1 369 . 1 1 35 35 LYS CA C 13 60.706 0.300 . 1 . . . . 35 LYS CA . 11283 1 370 . 1 1 35 35 LYS CB C 13 32.517 0.300 . 1 . . . . 35 LYS CB . 11283 1 371 . 1 1 35 35 LYS CD C 13 30.380 0.300 . 1 . . . . 35 LYS CD . 11283 1 372 . 1 1 35 35 LYS CE C 13 42.619 0.300 . 1 . . . . 35 LYS CE . 11283 1 373 . 1 1 35 35 LYS CG C 13 27.618 0.300 . 1 . . . . 35 LYS CG . 11283 1 374 . 1 1 35 35 LYS N N 15 115.779 0.300 . 1 . . . . 35 LYS N . 11283 1 375 . 1 1 36 36 GLN H H 1 7.673 0.030 . 1 . . . . 36 GLN H . 11283 1 376 . 1 1 36 36 GLN HA H 1 3.823 0.030 . 1 . . . . 36 GLN HA . 11283 1 377 . 1 1 36 36 GLN HB2 H 1 2.187 0.030 . 2 . . . . 36 GLN HB2 . 11283 1 378 . 1 1 36 36 GLN HB3 H 1 2.154 0.030 . 2 . . . . 36 GLN HB3 . 11283 1 379 . 1 1 36 36 GLN HE21 H 1 6.901 0.030 . 2 . . . . 36 GLN HE21 . 11283 1 380 . 1 1 36 36 GLN HE22 H 1 7.417 0.030 . 2 . . . . 36 GLN HE22 . 11283 1 381 . 1 1 36 36 GLN HG2 H 1 2.427 0.030 . 1 . . . . 36 GLN HG2 . 11283 1 382 . 1 1 36 36 GLN HG3 H 1 2.427 0.030 . 1 . . . . 36 GLN HG3 . 11283 1 383 . 1 1 36 36 GLN C C 13 178.703 0.300 . 1 . . . . 36 GLN C . 11283 1 384 . 1 1 36 36 GLN CA C 13 59.100 0.300 . 1 . . . . 36 GLN CA . 11283 1 385 . 1 1 36 36 GLN CB C 13 28.687 0.300 . 1 . . . . 36 GLN CB . 11283 1 386 . 1 1 36 36 GLN CG C 13 34.203 0.300 . 1 . . . . 36 GLN CG . 11283 1 387 . 1 1 36 36 GLN N N 15 117.027 0.300 . 1 . . . . 36 GLN N . 11283 1 388 . 1 1 36 36 GLN NE2 N 15 112.743 0.300 . 1 . . . . 36 GLN NE2 . 11283 1 389 . 1 1 37 37 ILE H H 1 7.557 0.030 . 1 . . . . 37 ILE H . 11283 1 390 . 1 1 37 37 ILE HA H 1 3.873 0.030 . 1 . . . . 37 ILE HA . 11283 1 391 . 1 1 37 37 ILE HB H 1 1.971 0.030 . 1 . . . . 37 ILE HB . 11283 1 392 . 1 1 37 37 ILE HD11 H 1 0.933 0.030 . 1 . . . . 37 ILE HD1 . 11283 1 393 . 1 1 37 37 ILE HD12 H 1 0.933 0.030 . 1 . . . . 37 ILE HD1 . 11283 1 394 . 1 1 37 37 ILE HD13 H 1 0.933 0.030 . 1 . . . . 37 ILE HD1 . 11283 1 395 . 1 1 37 37 ILE HG12 H 1 1.841 0.030 . 2 . . . . 37 ILE HG12 . 11283 1 396 . 1 1 37 37 ILE HG13 H 1 1.276 0.030 . 2 . . . . 37 ILE HG13 . 11283 1 397 . 1 1 37 37 ILE HG21 H 1 1.020 0.030 . 1 . . . . 37 ILE HG2 . 11283 1 398 . 1 1 37 37 ILE HG22 H 1 1.020 0.030 . 1 . . . . 37 ILE HG2 . 11283 1 399 . 1 1 37 37 ILE HG23 H 1 1.020 0.030 . 1 . . . . 37 ILE HG2 . 11283 1 400 . 1 1 37 37 ILE C C 13 178.951 0.300 . 1 . . . . 37 ILE C . 11283 1 401 . 1 1 37 37 ILE CA C 13 65.016 0.300 . 1 . . . . 37 ILE CA . 11283 1 402 . 1 1 37 37 ILE CB C 13 38.105 0.300 . 1 . . . . 37 ILE CB . 11283 1 403 . 1 1 37 37 ILE CD1 C 13 14.052 0.300 . 1 . . . . 37 ILE CD1 . 11283 1 404 . 1 1 37 37 ILE CG1 C 13 29.427 0.300 . 1 . . . . 37 ILE CG1 . 11283 1 405 . 1 1 37 37 ILE CG2 C 13 17.998 0.300 . 1 . . . . 37 ILE CG2 . 11283 1 406 . 1 1 37 37 ILE N N 15 120.914 0.300 . 1 . . . . 37 ILE N . 11283 1 407 . 1 1 38 38 LEU H H 1 8.116 0.030 . 1 . . . . 38 LEU H . 11283 1 408 . 1 1 38 38 LEU HA H 1 3.842 0.030 . 1 . . . . 38 LEU HA . 11283 1 409 . 1 1 38 38 LEU HB2 H 1 2.040 0.030 . 2 . . . . 38 LEU HB2 . 11283 1 410 . 1 1 38 38 LEU HB3 H 1 1.079 0.030 . 2 . . . . 38 LEU HB3 . 11283 1 411 . 1 1 38 38 LEU HD11 H 1 0.718 0.030 . 1 . . . . 38 LEU HD1 . 11283 1 412 . 1 1 38 38 LEU HD12 H 1 0.718 0.030 . 1 . . . . 38 LEU HD1 . 11283 1 413 . 1 1 38 38 LEU HD13 H 1 0.718 0.030 . 1 . . . . 38 LEU HD1 . 11283 1 414 . 1 1 38 38 LEU HD21 H 1 0.599 0.030 . 1 . . . . 38 LEU HD2 . 11283 1 415 . 1 1 38 38 LEU HD22 H 1 0.599 0.030 . 1 . . . . 38 LEU HD2 . 11283 1 416 . 1 1 38 38 LEU HD23 H 1 0.599 0.030 . 1 . . . . 38 LEU HD2 . 11283 1 417 . 1 1 38 38 LEU HG H 1 1.892 0.030 . 1 . . . . 38 LEU HG . 11283 1 418 . 1 1 38 38 LEU C C 13 178.201 0.300 . 1 . . . . 38 LEU C . 11283 1 419 . 1 1 38 38 LEU CA C 13 57.609 0.300 . 1 . . . . 38 LEU CA . 11283 1 420 . 1 1 38 38 LEU CB C 13 41.594 0.300 . 1 . . . . 38 LEU CB . 11283 1 421 . 1 1 38 38 LEU CD1 C 13 27.700 0.300 . 2 . . . . 38 LEU CD1 . 11283 1 422 . 1 1 38 38 LEU CD2 C 13 21.863 0.300 . 2 . . . . 38 LEU CD2 . 11283 1 423 . 1 1 38 38 LEU CG C 13 26.113 0.300 . 1 . . . . 38 LEU CG . 11283 1 424 . 1 1 38 38 LEU N N 15 118.963 0.300 . 1 . . . . 38 LEU N . 11283 1 425 . 1 1 39 39 GLU H H 1 8.503 0.030 . 1 . . . . 39 GLU H . 11283 1 426 . 1 1 39 39 GLU HA H 1 4.271 0.030 . 1 . . . . 39 GLU HA . 11283 1 427 . 1 1 39 39 GLU HB2 H 1 2.103 0.030 . 2 . . . . 39 GLU HB2 . 11283 1 428 . 1 1 39 39 GLU HB3 H 1 2.166 0.030 . 2 . . . . 39 GLU HB3 . 11283 1 429 . 1 1 39 39 GLU HG2 H 1 1.919 0.030 . 2 . . . . 39 GLU HG2 . 11283 1 430 . 1 1 39 39 GLU HG3 H 1 2.446 0.030 . 2 . . . . 39 GLU HG3 . 11283 1 431 . 1 1 39 39 GLU C C 13 179.317 0.300 . 1 . . . . 39 GLU C . 11283 1 432 . 1 1 39 39 GLU CA C 13 59.647 0.300 . 1 . . . . 39 GLU CA . 11283 1 433 . 1 1 39 39 GLU CB C 13 29.291 0.300 . 1 . . . . 39 GLU CB . 11283 1 434 . 1 1 39 39 GLU CG C 13 36.476 0.300 . 1 . . . . 39 GLU CG . 11283 1 435 . 1 1 39 39 GLU N N 15 123.093 0.300 . 1 . . . . 39 GLU N . 11283 1 436 . 1 1 40 40 ASN H H 1 7.410 0.030 . 1 . . . . 40 ASN H . 11283 1 437 . 1 1 40 40 ASN HA H 1 4.484 0.030 . 1 . . . . 40 ASN HA . 11283 1 438 . 1 1 40 40 ASN HB2 H 1 2.948 0.030 . 2 . . . . 40 ASN HB2 . 11283 1 439 . 1 1 40 40 ASN HB3 H 1 3.040 0.030 . 2 . . . . 40 ASN HB3 . 11283 1 440 . 1 1 40 40 ASN HD21 H 1 6.987 0.030 . 2 . . . . 40 ASN HD21 . 11283 1 441 . 1 1 40 40 ASN HD22 H 1 7.746 0.030 . 2 . . . . 40 ASN HD22 . 11283 1 442 . 1 1 40 40 ASN C C 13 177.132 0.300 . 1 . . . . 40 ASN C . 11283 1 443 . 1 1 40 40 ASN CA C 13 55.853 0.300 . 1 . . . . 40 ASN CA . 11283 1 444 . 1 1 40 40 ASN CB C 13 38.840 0.300 . 1 . . . . 40 ASN CB . 11283 1 445 . 1 1 40 40 ASN N N 15 116.339 0.300 . 1 . . . . 40 ASN N . 11283 1 446 . 1 1 40 40 ASN ND2 N 15 113.496 0.300 . 1 . . . . 40 ASN ND2 . 11283 1 447 . 1 1 41 41 GLU H H 1 7.964 0.030 . 1 . . . . 41 GLU H . 11283 1 448 . 1 1 41 41 GLU HA H 1 4.261 0.030 . 1 . . . . 41 GLU HA . 11283 1 449 . 1 1 41 41 GLU HB2 H 1 2.126 0.030 . 2 . . . . 41 GLU HB2 . 11283 1 450 . 1 1 41 41 GLU HB3 H 1 1.824 0.030 . 2 . . . . 41 GLU HB3 . 11283 1 451 . 1 1 41 41 GLU HG2 H 1 2.191 0.030 . 2 . . . . 41 GLU HG2 . 11283 1 452 . 1 1 41 41 GLU HG3 H 1 2.452 0.030 . 2 . . . . 41 GLU HG3 . 11283 1 453 . 1 1 41 41 GLU C C 13 178.150 0.300 . 1 . . . . 41 GLU C . 11283 1 454 . 1 1 41 41 GLU CA C 13 58.386 0.300 . 1 . . . . 41 GLU CA . 11283 1 455 . 1 1 41 41 GLU CB C 13 30.890 0.300 . 1 . . . . 41 GLU CB . 11283 1 456 . 1 1 41 41 GLU CG C 13 35.347 0.300 . 1 . . . . 41 GLU CG . 11283 1 457 . 1 1 41 41 GLU N N 15 116.867 0.300 . 1 . . . . 41 GLU N . 11283 1 458 . 1 1 42 42 LEU H H 1 8.940 0.030 . 1 . . . . 42 LEU H . 11283 1 459 . 1 1 42 42 LEU HA H 1 4.326 0.030 . 1 . . . . 42 LEU HA . 11283 1 460 . 1 1 42 42 LEU HB2 H 1 1.575 0.030 . 2 . . . . 42 LEU HB2 . 11283 1 461 . 1 1 42 42 LEU HB3 H 1 1.269 0.030 . 2 . . . . 42 LEU HB3 . 11283 1 462 . 1 1 42 42 LEU HD11 H 1 0.510 0.030 . 1 . . . . 42 LEU HD1 . 11283 1 463 . 1 1 42 42 LEU HD12 H 1 0.510 0.030 . 1 . . . . 42 LEU HD1 . 11283 1 464 . 1 1 42 42 LEU HD13 H 1 0.510 0.030 . 1 . . . . 42 LEU HD1 . 11283 1 465 . 1 1 42 42 LEU HD21 H 1 0.800 0.030 . 1 . . . . 42 LEU HD2 . 11283 1 466 . 1 1 42 42 LEU HD22 H 1 0.800 0.030 . 1 . . . . 42 LEU HD2 . 11283 1 467 . 1 1 42 42 LEU HD23 H 1 0.800 0.030 . 1 . . . . 42 LEU HD2 . 11283 1 468 . 1 1 42 42 LEU HG H 1 1.591 0.030 . 1 . . . . 42 LEU HG . 11283 1 469 . 1 1 42 42 LEU C C 13 176.654 0.300 . 1 . . . . 42 LEU C . 11283 1 470 . 1 1 42 42 LEU CA C 13 54.558 0.300 . 1 . . . . 42 LEU CA . 11283 1 471 . 1 1 42 42 LEU CB C 13 42.864 0.300 . 1 . . . . 42 LEU CB . 11283 1 472 . 1 1 42 42 LEU CD1 C 13 25.692 0.300 . 2 . . . . 42 LEU CD1 . 11283 1 473 . 1 1 42 42 LEU CD2 C 13 22.079 0.300 . 2 . . . . 42 LEU CD2 . 11283 1 474 . 1 1 42 42 LEU CG C 13 26.825 0.300 . 1 . . . . 42 LEU CG . 11283 1 475 . 1 1 42 42 LEU N N 15 114.675 0.300 . 1 . . . . 42 LEU N . 11283 1 476 . 1 1 43 43 GLN H H 1 7.751 0.030 . 1 . . . . 43 GLN H . 11283 1 477 . 1 1 43 43 GLN HA H 1 3.973 0.030 . 1 . . . . 43 GLN HA . 11283 1 478 . 1 1 43 43 GLN HB2 H 1 2.341 0.030 . 2 . . . . 43 GLN HB2 . 11283 1 479 . 1 1 43 43 GLN HB3 H 1 2.177 0.030 . 2 . . . . 43 GLN HB3 . 11283 1 480 . 1 1 43 43 GLN HE21 H 1 5.574 0.030 . 2 . . . . 43 GLN HE21 . 11283 1 481 . 1 1 43 43 GLN HE22 H 1 6.790 0.030 . 2 . . . . 43 GLN HE22 . 11283 1 482 . 1 1 43 43 GLN HG2 H 1 2.267 0.030 . 2 . . . . 43 GLN HG2 . 11283 1 483 . 1 1 43 43 GLN HG3 H 1 2.215 0.030 . 2 . . . . 43 GLN HG3 . 11283 1 484 . 1 1 43 43 GLN C C 13 174.760 0.300 . 1 . . . . 43 GLN C . 11283 1 485 . 1 1 43 43 GLN CA C 13 56.817 0.300 . 1 . . . . 43 GLN CA . 11283 1 486 . 1 1 43 43 GLN CB C 13 25.349 0.300 . 1 . . . . 43 GLN CB . 11283 1 487 . 1 1 43 43 GLN CG C 13 34.442 0.300 . 1 . . . . 43 GLN CG . 11283 1 488 . 1 1 43 43 GLN N N 15 113.496 0.300 . 1 . . . . 43 GLN N . 11283 1 489 . 1 1 43 43 GLN NE2 N 15 111.417 0.300 . 1 . . . . 43 GLN NE2 . 11283 1 490 . 1 1 44 44 ILE H H 1 6.609 0.030 . 1 . . . . 44 ILE H . 11283 1 491 . 1 1 44 44 ILE HA H 1 4.528 0.030 . 1 . . . . 44 ILE HA . 11283 1 492 . 1 1 44 44 ILE HB H 1 1.211 0.030 . 1 . . . . 44 ILE HB . 11283 1 493 . 1 1 44 44 ILE HD11 H 1 0.277 0.030 . 1 . . . . 44 ILE HD1 . 11283 1 494 . 1 1 44 44 ILE HD12 H 1 0.277 0.030 . 1 . . . . 44 ILE HD1 . 11283 1 495 . 1 1 44 44 ILE HD13 H 1 0.277 0.030 . 1 . . . . 44 ILE HD1 . 11283 1 496 . 1 1 44 44 ILE HG12 H 1 1.204 0.030 . 2 . . . . 44 ILE HG12 . 11283 1 497 . 1 1 44 44 ILE HG13 H 1 0.725 0.030 . 2 . . . . 44 ILE HG13 . 11283 1 498 . 1 1 44 44 ILE HG21 H 1 0.753 0.030 . 1 . . . . 44 ILE HG2 . 11283 1 499 . 1 1 44 44 ILE HG22 H 1 0.753 0.030 . 1 . . . . 44 ILE HG2 . 11283 1 500 . 1 1 44 44 ILE HG23 H 1 0.753 0.030 . 1 . . . . 44 ILE HG2 . 11283 1 501 . 1 1 44 44 ILE C C 13 172.263 0.300 . 1 . . . . 44 ILE C . 11283 1 502 . 1 1 44 44 ILE CA C 13 57.021 0.300 . 1 . . . . 44 ILE CA . 11283 1 503 . 1 1 44 44 ILE CB C 13 42.136 0.300 . 1 . . . . 44 ILE CB . 11283 1 504 . 1 1 44 44 ILE CD1 C 13 13.933 0.300 . 1 . . . . 44 ILE CD1 . 11283 1 505 . 1 1 44 44 ILE CG1 C 13 25.670 0.300 . 1 . . . . 44 ILE CG1 . 11283 1 506 . 1 1 44 44 ILE CG2 C 13 17.333 0.300 . 1 . . . . 44 ILE CG2 . 11283 1 507 . 1 1 44 44 ILE N N 15 116.793 0.300 . 1 . . . . 44 ILE N . 11283 1 508 . 1 1 45 45 PRO HA H 1 4.589 0.030 . 1 . . . . 45 PRO HA . 11283 1 509 . 1 1 45 45 PRO HB2 H 1 2.360 0.030 . 2 . . . . 45 PRO HB2 . 11283 1 510 . 1 1 45 45 PRO HB3 H 1 1.787 0.030 . 2 . . . . 45 PRO HB3 . 11283 1 511 . 1 1 45 45 PRO HD2 H 1 3.349 0.030 . 2 . . . . 45 PRO HD2 . 11283 1 512 . 1 1 45 45 PRO HD3 H 1 3.830 0.030 . 2 . . . . 45 PRO HD3 . 11283 1 513 . 1 1 45 45 PRO HG2 H 1 1.979 0.030 . 1 . . . . 45 PRO HG2 . 11283 1 514 . 1 1 45 45 PRO HG3 H 1 1.979 0.030 . 1 . . . . 45 PRO HG3 . 11283 1 515 . 1 1 45 45 PRO C C 13 179.559 0.300 . 1 . . . . 45 PRO C . 11283 1 516 . 1 1 45 45 PRO CA C 13 62.334 0.300 . 1 . . . . 45 PRO CA . 11283 1 517 . 1 1 45 45 PRO CB C 13 32.419 0.300 . 1 . . . . 45 PRO CB . 11283 1 518 . 1 1 45 45 PRO CD C 13 50.640 0.300 . 1 . . . . 45 PRO CD . 11283 1 519 . 1 1 45 45 PRO CG C 13 27.947 0.300 . 1 . . . . 45 PRO CG . 11283 1 520 . 1 1 46 46 VAL H H 1 8.599 0.030 . 1 . . . . 46 VAL H . 11283 1 521 . 1 1 46 46 VAL HA H 1 3.700 0.030 . 1 . . . . 46 VAL HA . 11283 1 522 . 1 1 46 46 VAL HB H 1 2.024 0.030 . 1 . . . . 46 VAL HB . 11283 1 523 . 1 1 46 46 VAL HG11 H 1 0.948 0.030 . 1 . . . . 46 VAL HG1 . 11283 1 524 . 1 1 46 46 VAL HG12 H 1 0.948 0.030 . 1 . . . . 46 VAL HG1 . 11283 1 525 . 1 1 46 46 VAL HG13 H 1 0.948 0.030 . 1 . . . . 46 VAL HG1 . 11283 1 526 . 1 1 46 46 VAL HG21 H 1 0.997 0.030 . 1 . . . . 46 VAL HG2 . 11283 1 527 . 1 1 46 46 VAL HG22 H 1 0.997 0.030 . 1 . . . . 46 VAL HG2 . 11283 1 528 . 1 1 46 46 VAL HG23 H 1 0.997 0.030 . 1 . . . . 46 VAL HG2 . 11283 1 529 . 1 1 46 46 VAL C C 13 178.731 0.300 . 1 . . . . 46 VAL C . 11283 1 530 . 1 1 46 46 VAL CA C 13 66.573 0.300 . 1 . . . . 46 VAL CA . 11283 1 531 . 1 1 46 46 VAL CB C 13 32.273 0.300 . 1 . . . . 46 VAL CB . 11283 1 532 . 1 1 46 46 VAL CG1 C 13 21.832 0.300 . 2 . . . . 46 VAL CG1 . 11283 1 533 . 1 1 46 46 VAL CG2 C 13 21.408 0.300 . 2 . . . . 46 VAL CG2 . 11283 1 534 . 1 1 46 46 VAL N N 15 121.436 0.300 . 1 . . . . 46 VAL N . 11283 1 535 . 1 1 47 47 SER H H 1 8.303 0.030 . 1 . . . . 47 SER H . 11283 1 536 . 1 1 47 47 SER HA H 1 4.187 0.030 . 1 . . . . 47 SER HA . 11283 1 537 . 1 1 47 47 SER HB2 H 1 3.973 0.030 . 2 . . . . 47 SER HB2 . 11283 1 538 . 1 1 47 47 SER HB3 H 1 3.917 0.030 . 2 . . . . 47 SER HB3 . 11283 1 539 . 1 1 47 47 SER C C 13 175.598 0.300 . 1 . . . . 47 SER C . 11283 1 540 . 1 1 47 47 SER CA C 13 60.329 0.300 . 1 . . . . 47 SER CA . 11283 1 541 . 1 1 47 47 SER CB C 13 62.569 0.300 . 1 . . . . 47 SER CB . 11283 1 542 . 1 1 47 47 SER N N 15 112.569 0.300 . 1 . . . . 47 SER N . 11283 1 543 . 1 1 48 48 LYS H H 1 7.746 0.030 . 1 . . . . 48 LYS H . 11283 1 544 . 1 1 48 48 LYS HA H 1 4.490 0.030 . 1 . . . . 48 LYS HA . 11283 1 545 . 1 1 48 48 LYS HB2 H 1 1.954 0.030 . 2 . . . . 48 LYS HB2 . 11283 1 546 . 1 1 48 48 LYS HB3 H 1 1.702 0.030 . 2 . . . . 48 LYS HB3 . 11283 1 547 . 1 1 48 48 LYS HD2 H 1 1.672 0.030 . 2 . . . . 48 LYS HD2 . 11283 1 548 . 1 1 48 48 LYS HD3 H 1 1.535 0.030 . 2 . . . . 48 LYS HD3 . 11283 1 549 . 1 1 48 48 LYS HE2 H 1 2.988 0.030 . 2 . . . . 48 LYS HE2 . 11283 1 550 . 1 1 48 48 LYS HE3 H 1 2.904 0.030 . 2 . . . . 48 LYS HE3 . 11283 1 551 . 1 1 48 48 LYS HG2 H 1 1.385 0.030 . 2 . . . . 48 LYS HG2 . 11283 1 552 . 1 1 48 48 LYS HG3 H 1 1.425 0.030 . 2 . . . . 48 LYS HG3 . 11283 1 553 . 1 1 48 48 LYS C C 13 175.510 0.300 . 1 . . . . 48 LYS C . 11283 1 554 . 1 1 48 48 LYS CA C 13 54.496 0.300 . 1 . . . . 48 LYS CA . 11283 1 555 . 1 1 48 48 LYS CB C 13 33.060 0.300 . 1 . . . . 48 LYS CB . 11283 1 556 . 1 1 48 48 LYS CD C 13 28.718 0.300 . 1 . . . . 48 LYS CD . 11283 1 557 . 1 1 48 48 LYS CE C 13 42.253 0.300 . 1 . . . . 48 LYS CE . 11283 1 558 . 1 1 48 48 LYS CG C 13 24.905 0.300 . 1 . . . . 48 LYS CG . 11283 1 559 . 1 1 48 48 LYS N N 15 119.143 0.300 . 1 . . . . 48 LYS N . 11283 1 560 . 1 1 49 49 MET H H 1 7.434 0.030 . 1 . . . . 49 MET H . 11283 1 561 . 1 1 49 49 MET HA H 1 4.435 0.030 . 1 . . . . 49 MET HA . 11283 1 562 . 1 1 49 49 MET HB2 H 1 2.026 0.030 . 2 . . . . 49 MET HB2 . 11283 1 563 . 1 1 49 49 MET HB3 H 1 1.598 0.030 . 2 . . . . 49 MET HB3 . 11283 1 564 . 1 1 49 49 MET HE1 H 1 1.829 0.030 . 1 . . . . 49 MET HE . 11283 1 565 . 1 1 49 49 MET HE2 H 1 1.829 0.030 . 1 . . . . 49 MET HE . 11283 1 566 . 1 1 49 49 MET HE3 H 1 1.829 0.030 . 1 . . . . 49 MET HE . 11283 1 567 . 1 1 49 49 MET HG2 H 1 2.398 0.030 . 1 . . . . 49 MET HG2 . 11283 1 568 . 1 1 49 49 MET HG3 H 1 2.398 0.030 . 1 . . . . 49 MET HG3 . 11283 1 569 . 1 1 49 49 MET C C 13 174.917 0.300 . 1 . . . . 49 MET C . 11283 1 570 . 1 1 49 49 MET CA C 13 56.263 0.300 . 1 . . . . 49 MET CA . 11283 1 571 . 1 1 49 49 MET CB C 13 36.304 0.300 . 1 . . . . 49 MET CB . 11283 1 572 . 1 1 49 49 MET CE C 13 17.305 0.300 . 1 . . . . 49 MET CE . 11283 1 573 . 1 1 49 49 MET CG C 13 32.058 0.300 . 1 . . . . 49 MET CG . 11283 1 574 . 1 1 49 49 MET N N 15 117.100 0.300 . 1 . . . . 49 MET N . 11283 1 575 . 1 1 50 50 LEU H H 1 8.858 0.030 . 1 . . . . 50 LEU H . 11283 1 576 . 1 1 50 50 LEU HA H 1 4.685 0.030 . 1 . . . . 50 LEU HA . 11283 1 577 . 1 1 50 50 LEU HB2 H 1 1.716 0.030 . 2 . . . . 50 LEU HB2 . 11283 1 578 . 1 1 50 50 LEU HB3 H 1 1.439 0.030 . 2 . . . . 50 LEU HB3 . 11283 1 579 . 1 1 50 50 LEU HD11 H 1 0.903 0.030 . 1 . . . . 50 LEU HD1 . 11283 1 580 . 1 1 50 50 LEU HD12 H 1 0.903 0.030 . 1 . . . . 50 LEU HD1 . 11283 1 581 . 1 1 50 50 LEU HD13 H 1 0.903 0.030 . 1 . . . . 50 LEU HD1 . 11283 1 582 . 1 1 50 50 LEU HD21 H 1 0.903 0.030 . 1 . . . . 50 LEU HD2 . 11283 1 583 . 1 1 50 50 LEU HD22 H 1 0.903 0.030 . 1 . . . . 50 LEU HD2 . 11283 1 584 . 1 1 50 50 LEU HD23 H 1 0.903 0.030 . 1 . . . . 50 LEU HD2 . 11283 1 585 . 1 1 50 50 LEU HG H 1 1.573 0.030 . 1 . . . . 50 LEU HG . 11283 1 586 . 1 1 50 50 LEU C C 13 175.010 0.300 . 1 . . . . 50 LEU C . 11283 1 587 . 1 1 50 50 LEU CA C 13 53.901 0.300 . 1 . . . . 50 LEU CA . 11283 1 588 . 1 1 50 50 LEU CB C 13 43.066 0.300 . 1 . . . . 50 LEU CB . 11283 1 589 . 1 1 50 50 LEU CD1 C 13 25.234 0.300 . 2 . . . . 50 LEU CD1 . 11283 1 590 . 1 1 50 50 LEU CD2 C 13 23.969 0.300 . 2 . . . . 50 LEU CD2 . 11283 1 591 . 1 1 50 50 LEU CG C 13 27.371 0.300 . 1 . . . . 50 LEU CG . 11283 1 592 . 1 1 50 50 LEU N N 15 124.227 0.300 . 1 . . . . 50 LEU N . 11283 1 593 . 1 1 51 51 LEU H H 1 8.709 0.030 . 1 . . . . 51 LEU H . 11283 1 594 . 1 1 51 51 LEU HA H 1 4.837 0.030 . 1 . . . . 51 LEU HA . 11283 1 595 . 1 1 51 51 LEU HB2 H 1 1.843 0.030 . 2 . . . . 51 LEU HB2 . 11283 1 596 . 1 1 51 51 LEU HB3 H 1 1.222 0.030 . 2 . . . . 51 LEU HB3 . 11283 1 597 . 1 1 51 51 LEU HD11 H 1 0.781 0.030 . 1 . . . . 51 LEU HD1 . 11283 1 598 . 1 1 51 51 LEU HD12 H 1 0.781 0.030 . 1 . . . . 51 LEU HD1 . 11283 1 599 . 1 1 51 51 LEU HD13 H 1 0.781 0.030 . 1 . . . . 51 LEU HD1 . 11283 1 600 . 1 1 51 51 LEU HD21 H 1 0.707 0.030 . 1 . . . . 51 LEU HD2 . 11283 1 601 . 1 1 51 51 LEU HD22 H 1 0.707 0.030 . 1 . . . . 51 LEU HD2 . 11283 1 602 . 1 1 51 51 LEU HD23 H 1 0.707 0.030 . 1 . . . . 51 LEU HD2 . 11283 1 603 . 1 1 51 51 LEU HG H 1 1.380 0.030 . 1 . . . . 51 LEU HG . 11283 1 604 . 1 1 51 51 LEU C C 13 175.090 0.300 . 1 . . . . 51 LEU C . 11283 1 605 . 1 1 51 51 LEU CA C 13 53.979 0.300 . 1 . . . . 51 LEU CA . 11283 1 606 . 1 1 51 51 LEU CB C 13 44.248 0.300 . 1 . . . . 51 LEU CB . 11283 1 607 . 1 1 51 51 LEU CD1 C 13 25.989 0.300 . 2 . . . . 51 LEU CD1 . 11283 1 608 . 1 1 51 51 LEU CD2 C 13 25.152 0.300 . 2 . . . . 51 LEU CD2 . 11283 1 609 . 1 1 51 51 LEU CG C 13 26.818 0.300 . 1 . . . . 51 LEU CG . 11283 1 610 . 1 1 51 51 LEU N N 15 125.232 0.300 . 1 . . . . 51 LEU N . 11283 1 611 . 1 1 52 52 LYS H H 1 8.961 0.030 . 1 . . . . 52 LYS H . 11283 1 612 . 1 1 52 52 LYS HA H 1 4.756 0.030 . 1 . . . . 52 LYS HA . 11283 1 613 . 1 1 52 52 LYS HB2 H 1 1.486 0.030 . 2 . . . . 52 LYS HB2 . 11283 1 614 . 1 1 52 52 LYS HB3 H 1 0.526 0.030 . 2 . . . . 52 LYS HB3 . 11283 1 615 . 1 1 52 52 LYS HD2 H 1 1.689 0.030 . 1 . . . . 52 LYS HD2 . 11283 1 616 . 1 1 52 52 LYS HD3 H 1 1.689 0.030 . 1 . . . . 52 LYS HD3 . 11283 1 617 . 1 1 52 52 LYS HE2 H 1 2.920 0.030 . 2 . . . . 52 LYS HE2 . 11283 1 618 . 1 1 52 52 LYS HE3 H 1 3.066 0.030 . 2 . . . . 52 LYS HE3 . 11283 1 619 . 1 1 52 52 LYS HG2 H 1 1.209 0.030 . 1 . . . . 52 LYS HG2 . 11283 1 620 . 1 1 52 52 LYS HG3 H 1 1.209 0.030 . 1 . . . . 52 LYS HG3 . 11283 1 621 . 1 1 52 52 LYS C C 13 174.053 0.300 . 1 . . . . 52 LYS C . 11283 1 622 . 1 1 52 52 LYS CA C 13 53.766 0.300 . 1 . . . . 52 LYS CA . 11283 1 623 . 1 1 52 52 LYS CB C 13 35.329 0.300 . 1 . . . . 52 LYS CB . 11283 1 624 . 1 1 52 52 LYS CD C 13 28.769 0.300 . 1 . . . . 52 LYS CD . 11283 1 625 . 1 1 52 52 LYS CE C 13 42.007 0.300 . 1 . . . . 52 LYS CE . 11283 1 626 . 1 1 52 52 LYS CG C 13 24.414 0.300 . 1 . . . . 52 LYS CG . 11283 1 627 . 1 1 52 52 LYS N N 15 126.079 0.300 . 1 . . . . 52 LYS N . 11283 1 628 . 1 1 53 53 GLY H H 1 8.269 0.030 . 1 . . . . 53 GLY H . 11283 1 629 . 1 1 53 53 GLY HA2 H 1 3.707 0.030 . 2 . . . . 53 GLY HA2 . 11283 1 630 . 1 1 53 53 GLY HA3 H 1 4.576 0.030 . 2 . . . . 53 GLY HA3 . 11283 1 631 . 1 1 53 53 GLY C C 13 174.562 0.300 . 1 . . . . 53 GLY C . 11283 1 632 . 1 1 53 53 GLY CA C 13 44.570 0.300 . 1 . . . . 53 GLY CA . 11283 1 633 . 1 1 53 53 GLY N N 15 104.247 0.300 . 1 . . . . 53 GLY N . 11283 1 634 . 1 1 54 54 TRP H H 1 6.991 0.030 . 1 . . . . 54 TRP H . 11283 1 635 . 1 1 54 54 TRP HA H 1 4.593 0.030 . 1 . . . . 54 TRP HA . 11283 1 636 . 1 1 54 54 TRP HB2 H 1 3.412 0.030 . 2 . . . . 54 TRP HB2 . 11283 1 637 . 1 1 54 54 TRP HB3 H 1 3.591 0.030 . 2 . . . . 54 TRP HB3 . 11283 1 638 . 1 1 54 54 TRP HD1 H 1 7.497 0.030 . 1 . . . . 54 TRP HD1 . 11283 1 639 . 1 1 54 54 TRP HE1 H 1 9.609 0.030 . 1 . . . . 54 TRP HE1 . 11283 1 640 . 1 1 54 54 TRP HE3 H 1 7.858 0.030 . 1 . . . . 54 TRP HE3 . 11283 1 641 . 1 1 54 54 TRP HH2 H 1 6.642 0.030 . 1 . . . . 54 TRP HH2 . 11283 1 642 . 1 1 54 54 TRP HZ2 H 1 6.933 0.030 . 1 . . . . 54 TRP HZ2 . 11283 1 643 . 1 1 54 54 TRP HZ3 H 1 7.068 0.030 . 1 . . . . 54 TRP HZ3 . 11283 1 644 . 1 1 54 54 TRP C C 13 178.240 0.300 . 1 . . . . 54 TRP C . 11283 1 645 . 1 1 54 54 TRP CA C 13 55.054 0.300 . 1 . . . . 54 TRP CA . 11283 1 646 . 1 1 54 54 TRP CB C 13 29.988 0.300 . 1 . . . . 54 TRP CB . 11283 1 647 . 1 1 54 54 TRP CD1 C 13 127.726 0.300 . 1 . . . . 54 TRP CD1 . 11283 1 648 . 1 1 54 54 TRP CE3 C 13 121.228 0.300 . 1 . . . . 54 TRP CE3 . 11283 1 649 . 1 1 54 54 TRP CH2 C 13 124.173 0.300 . 1 . . . . 54 TRP CH2 . 11283 1 650 . 1 1 54 54 TRP CZ2 C 13 114.492 0.300 . 1 . . . . 54 TRP CZ2 . 11283 1 651 . 1 1 54 54 TRP CZ3 C 13 121.239 0.300 . 1 . . . . 54 TRP CZ3 . 11283 1 652 . 1 1 54 54 TRP N N 15 121.889 0.300 . 1 . . . . 54 TRP N . 11283 1 653 . 1 1 54 54 TRP NE1 N 15 127.478 0.300 . 1 . . . . 54 TRP NE1 . 11283 1 654 . 1 1 55 55 LYS H H 1 9.922 0.030 . 1 . . . . 55 LYS H . 11283 1 655 . 1 1 55 55 LYS HA H 1 4.327 0.030 . 1 . . . . 55 LYS HA . 11283 1 656 . 1 1 55 55 LYS HB2 H 1 2.096 0.030 . 1 . . . . 55 LYS HB2 . 11283 1 657 . 1 1 55 55 LYS HB3 H 1 2.096 0.030 . 1 . . . . 55 LYS HB3 . 11283 1 658 . 1 1 55 55 LYS HD2 H 1 1.836 0.030 . 1 . . . . 55 LYS HD2 . 11283 1 659 . 1 1 55 55 LYS HD3 H 1 1.836 0.030 . 1 . . . . 55 LYS HD3 . 11283 1 660 . 1 1 55 55 LYS HE2 H 1 3.130 0.030 . 1 . . . . 55 LYS HE2 . 11283 1 661 . 1 1 55 55 LYS HE3 H 1 3.130 0.030 . 1 . . . . 55 LYS HE3 . 11283 1 662 . 1 1 55 55 LYS HG2 H 1 1.732 0.030 . 2 . . . . 55 LYS HG2 . 11283 1 663 . 1 1 55 55 LYS HG3 H 1 1.650 0.030 . 2 . . . . 55 LYS HG3 . 11283 1 664 . 1 1 55 55 LYS C C 13 177.705 0.300 . 1 . . . . 55 LYS C . 11283 1 665 . 1 1 55 55 LYS CA C 13 58.377 0.300 . 1 . . . . 55 LYS CA . 11283 1 666 . 1 1 55 55 LYS CB C 13 32.475 0.300 . 1 . . . . 55 LYS CB . 11283 1 667 . 1 1 55 55 LYS CD C 13 28.956 0.300 . 1 . . . . 55 LYS CD . 11283 1 668 . 1 1 55 55 LYS CE C 13 42.500 0.300 . 1 . . . . 55 LYS CE . 11283 1 669 . 1 1 55 55 LYS CG C 13 25.316 0.300 . 1 . . . . 55 LYS CG . 11283 1 670 . 1 1 55 55 LYS N N 15 124.360 0.300 . 1 . . . . 55 LYS N . 11283 1 671 . 1 1 56 56 THR H H 1 7.617 0.030 . 1 . . . . 56 THR H . 11283 1 672 . 1 1 56 56 THR HA H 1 4.500 0.030 . 1 . . . . 56 THR HA . 11283 1 673 . 1 1 56 56 THR HB H 1 4.388 0.030 . 1 . . . . 56 THR HB . 11283 1 674 . 1 1 56 56 THR HG21 H 1 1.226 0.030 . 1 . . . . 56 THR HG2 . 11283 1 675 . 1 1 56 56 THR HG22 H 1 1.226 0.030 . 1 . . . . 56 THR HG2 . 11283 1 676 . 1 1 56 56 THR HG23 H 1 1.226 0.030 . 1 . . . . 56 THR HG2 . 11283 1 677 . 1 1 56 56 THR C C 13 174.340 0.300 . 1 . . . . 56 THR C . 11283 1 678 . 1 1 56 56 THR CA C 13 60.874 0.300 . 1 . . . . 56 THR CA . 11283 1 679 . 1 1 56 56 THR CB C 13 69.493 0.300 . 1 . . . . 56 THR CB . 11283 1 680 . 1 1 56 56 THR CG2 C 13 21.622 0.300 . 1 . . . . 56 THR CG2 . 11283 1 681 . 1 1 56 56 THR N N 15 107.408 0.300 . 1 . . . . 56 THR N . 11283 1 682 . 1 1 57 57 GLY H H 1 7.902 0.030 . 1 . . . . 57 GLY H . 11283 1 683 . 1 1 57 57 GLY HA2 H 1 3.939 0.030 . 2 . . . . 57 GLY HA2 . 11283 1 684 . 1 1 57 57 GLY HA3 H 1 4.206 0.030 . 2 . . . . 57 GLY HA3 . 11283 1 685 . 1 1 57 57 GLY C C 13 173.215 0.300 . 1 . . . . 57 GLY C . 11283 1 686 . 1 1 57 57 GLY CA C 13 45.157 0.300 . 1 . . . . 57 GLY CA . 11283 1 687 . 1 1 57 57 GLY N N 15 109.625 0.300 . 1 . . . . 57 GLY N . 11283 1 688 . 1 1 58 58 ASP H H 1 8.282 0.030 . 1 . . . . 58 ASP H . 11283 1 689 . 1 1 58 58 ASP HA H 1 4.756 0.030 . 1 . . . . 58 ASP HA . 11283 1 690 . 1 1 58 58 ASP HB2 H 1 2.559 0.030 . 2 . . . . 58 ASP HB2 . 11283 1 691 . 1 1 58 58 ASP HB3 H 1 2.657 0.030 . 2 . . . . 58 ASP HB3 . 11283 1 692 . 1 1 58 58 ASP C C 13 175.677 0.300 . 1 . . . . 58 ASP C . 11283 1 693 . 1 1 58 58 ASP CA C 13 54.579 0.300 . 1 . . . . 58 ASP CA . 11283 1 694 . 1 1 58 58 ASP CB C 13 40.947 0.300 . 1 . . . . 58 ASP CB . 11283 1 695 . 1 1 58 58 ASP N N 15 120.153 0.300 . 1 . . . . 58 ASP N . 11283 1 696 . 1 1 59 59 VAL H H 1 7.674 0.030 . 1 . . . . 59 VAL H . 11283 1 697 . 1 1 59 59 VAL HA H 1 3.972 0.030 . 1 . . . . 59 VAL HA . 11283 1 698 . 1 1 59 59 VAL HB H 1 1.291 0.030 . 1 . . . . 59 VAL HB . 11283 1 699 . 1 1 59 59 VAL HG11 H 1 0.227 0.030 . 1 . . . . 59 VAL HG1 . 11283 1 700 . 1 1 59 59 VAL HG12 H 1 0.227 0.030 . 1 . . . . 59 VAL HG1 . 11283 1 701 . 1 1 59 59 VAL HG13 H 1 0.227 0.030 . 1 . . . . 59 VAL HG1 . 11283 1 702 . 1 1 59 59 VAL HG21 H 1 0.174 0.030 . 1 . . . . 59 VAL HG2 . 11283 1 703 . 1 1 59 59 VAL HG22 H 1 0.174 0.030 . 1 . . . . 59 VAL HG2 . 11283 1 704 . 1 1 59 59 VAL HG23 H 1 0.174 0.030 . 1 . . . . 59 VAL HG2 . 11283 1 705 . 1 1 59 59 VAL C C 13 175.438 0.300 . 1 . . . . 59 VAL C . 11283 1 706 . 1 1 59 59 VAL CA C 13 61.667 0.300 . 1 . . . . 59 VAL CA . 11283 1 707 . 1 1 59 59 VAL CB C 13 33.836 0.300 . 1 . . . . 59 VAL CB . 11283 1 708 . 1 1 59 59 VAL CG1 C 13 22.240 0.300 . 2 . . . . 59 VAL CG1 . 11283 1 709 . 1 1 59 59 VAL CG2 C 13 20.645 0.300 . 2 . . . . 59 VAL CG2 . 11283 1 710 . 1 1 59 59 VAL N N 15 119.529 0.300 . 1 . . . . 59 VAL N . 11283 1 711 . 1 1 60 60 GLU H H 1 8.570 0.030 . 1 . . . . 60 GLU H . 11283 1 712 . 1 1 60 60 GLU HA H 1 4.489 0.030 . 1 . . . . 60 GLU HA . 11283 1 713 . 1 1 60 60 GLU HB2 H 1 2.189 0.030 . 2 . . . . 60 GLU HB2 . 11283 1 714 . 1 1 60 60 GLU HB3 H 1 1.872 0.030 . 2 . . . . 60 GLU HB3 . 11283 1 715 . 1 1 60 60 GLU HG2 H 1 2.249 0.030 . 2 . . . . 60 GLU HG2 . 11283 1 716 . 1 1 60 60 GLU HG3 H 1 2.201 0.030 . 2 . . . . 60 GLU HG3 . 11283 1 717 . 1 1 60 60 GLU C C 13 177.775 0.300 . 1 . . . . 60 GLU C . 11283 1 718 . 1 1 60 60 GLU CA C 13 55.409 0.300 . 1 . . . . 60 GLU CA . 11283 1 719 . 1 1 60 60 GLU CB C 13 31.763 0.300 . 1 . . . . 60 GLU CB . 11283 1 720 . 1 1 60 60 GLU CG C 13 36.333 0.300 . 1 . . . . 60 GLU CG . 11283 1 721 . 1 1 60 60 GLU N N 15 124.952 0.300 . 1 . . . . 60 GLU N . 11283 1 722 . 1 1 61 61 ASP H H 1 8.947 0.030 . 1 . . . . 61 ASP H . 11283 1 723 . 1 1 61 61 ASP HA H 1 4.269 0.030 . 1 . . . . 61 ASP HA . 11283 1 724 . 1 1 61 61 ASP HB2 H 1 2.644 0.030 . 2 . . . . 61 ASP HB2 . 11283 1 725 . 1 1 61 61 ASP HB3 H 1 2.524 0.030 . 2 . . . . 61 ASP HB3 . 11283 1 726 . 1 1 61 61 ASP C C 13 177.269 0.300 . 1 . . . . 61 ASP C . 11283 1 727 . 1 1 61 61 ASP CA C 13 57.231 0.300 . 1 . . . . 61 ASP CA . 11283 1 728 . 1 1 61 61 ASP CB C 13 39.938 0.300 . 1 . . . . 61 ASP CB . 11283 1 729 . 1 1 61 61 ASP N N 15 121.684 0.300 . 1 . . . . 61 ASP N . 11283 1 730 . 1 1 62 62 SER H H 1 7.753 0.030 . 1 . . . . 62 SER H . 11283 1 731 . 1 1 62 62 SER HA H 1 4.286 0.030 . 1 . . . . 62 SER HA . 11283 1 732 . 1 1 62 62 SER HB2 H 1 4.059 0.030 . 2 . . . . 62 SER HB2 . 11283 1 733 . 1 1 62 62 SER HB3 H 1 3.822 0.030 . 2 . . . . 62 SER HB3 . 11283 1 734 . 1 1 62 62 SER C C 13 174.388 0.300 . 1 . . . . 62 SER C . 11283 1 735 . 1 1 62 62 SER CA C 13 58.244 0.300 . 1 . . . . 62 SER CA . 11283 1 736 . 1 1 62 62 SER CB C 13 63.233 0.300 . 1 . . . . 62 SER CB . 11283 1 737 . 1 1 62 62 SER N N 15 109.365 0.300 . 1 . . . . 62 SER N . 11283 1 738 . 1 1 63 63 THR H H 1 7.700 0.030 . 1 . . . . 63 THR H . 11283 1 739 . 1 1 63 63 THR HA H 1 3.778 0.030 . 1 . . . . 63 THR HA . 11283 1 740 . 1 1 63 63 THR HB H 1 3.923 0.030 . 1 . . . . 63 THR HB . 11283 1 741 . 1 1 63 63 THR HG21 H 1 0.992 0.030 . 1 . . . . 63 THR HG2 . 11283 1 742 . 1 1 63 63 THR HG22 H 1 0.992 0.030 . 1 . . . . 63 THR HG2 . 11283 1 743 . 1 1 63 63 THR HG23 H 1 0.992 0.030 . 1 . . . . 63 THR HG2 . 11283 1 744 . 1 1 63 63 THR C C 13 173.292 0.300 . 1 . . . . 63 THR C . 11283 1 745 . 1 1 63 63 THR CA C 13 64.746 0.300 . 1 . . . . 63 THR CA . 11283 1 746 . 1 1 63 63 THR CB C 13 69.135 0.300 . 1 . . . . 63 THR CB . 11283 1 747 . 1 1 63 63 THR CG2 C 13 21.926 0.300 . 1 . . . . 63 THR CG2 . 11283 1 748 . 1 1 63 63 THR N N 15 121.445 0.300 . 1 . . . . 63 THR N . 11283 1 749 . 1 1 64 64 VAL H H 1 8.757 0.030 . 1 . . . . 64 VAL H . 11283 1 750 . 1 1 64 64 VAL HA H 1 3.922 0.030 . 1 . . . . 64 VAL HA . 11283 1 751 . 1 1 64 64 VAL HB H 1 2.018 0.030 . 1 . . . . 64 VAL HB . 11283 1 752 . 1 1 64 64 VAL HG11 H 1 1.090 0.030 . 1 . . . . 64 VAL HG1 . 11283 1 753 . 1 1 64 64 VAL HG12 H 1 1.090 0.030 . 1 . . . . 64 VAL HG1 . 11283 1 754 . 1 1 64 64 VAL HG13 H 1 1.090 0.030 . 1 . . . . 64 VAL HG1 . 11283 1 755 . 1 1 64 64 VAL HG21 H 1 1.033 0.030 . 1 . . . . 64 VAL HG2 . 11283 1 756 . 1 1 64 64 VAL HG22 H 1 1.033 0.030 . 1 . . . . 64 VAL HG2 . 11283 1 757 . 1 1 64 64 VAL HG23 H 1 1.033 0.030 . 1 . . . . 64 VAL HG2 . 11283 1 758 . 1 1 64 64 VAL C C 13 178.497 0.300 . 1 . . . . 64 VAL C . 11283 1 759 . 1 1 64 64 VAL CA C 13 62.709 0.300 . 1 . . . . 64 VAL CA . 11283 1 760 . 1 1 64 64 VAL CB C 13 32.044 0.300 . 1 . . . . 64 VAL CB . 11283 1 761 . 1 1 64 64 VAL CG1 C 13 22.021 0.300 . 2 . . . . 64 VAL CG1 . 11283 1 762 . 1 1 64 64 VAL CG2 C 13 22.321 0.300 . 2 . . . . 64 VAL CG2 . 11283 1 763 . 1 1 64 64 VAL N N 15 128.657 0.300 . 1 . . . . 64 VAL N . 11283 1 764 . 1 1 65 65 LEU H H 1 9.275 0.030 . 1 . . . . 65 LEU H . 11283 1 765 . 1 1 65 65 LEU HA H 1 3.762 0.030 . 1 . . . . 65 LEU HA . 11283 1 766 . 1 1 65 65 LEU HB2 H 1 2.079 0.030 . 2 . . . . 65 LEU HB2 . 11283 1 767 . 1 1 65 65 LEU HB3 H 1 1.272 0.030 . 2 . . . . 65 LEU HB3 . 11283 1 768 . 1 1 65 65 LEU HD11 H 1 0.867 0.030 . 1 . . . . 65 LEU HD1 . 11283 1 769 . 1 1 65 65 LEU HD12 H 1 0.867 0.030 . 1 . . . . 65 LEU HD1 . 11283 1 770 . 1 1 65 65 LEU HD13 H 1 0.867 0.030 . 1 . . . . 65 LEU HD1 . 11283 1 771 . 1 1 65 65 LEU HD21 H 1 0.826 0.030 . 1 . . . . 65 LEU HD2 . 11283 1 772 . 1 1 65 65 LEU HD22 H 1 0.826 0.030 . 1 . . . . 65 LEU HD2 . 11283 1 773 . 1 1 65 65 LEU HD23 H 1 0.826 0.030 . 1 . . . . 65 LEU HD2 . 11283 1 774 . 1 1 65 65 LEU HG H 1 1.689 0.030 . 1 . . . . 65 LEU HG . 11283 1 775 . 1 1 65 65 LEU C C 13 180.921 0.300 . 1 . . . . 65 LEU C . 11283 1 776 . 1 1 65 65 LEU CA C 13 59.340 0.300 . 1 . . . . 65 LEU CA . 11283 1 777 . 1 1 65 65 LEU CB C 13 41.126 0.300 . 1 . . . . 65 LEU CB . 11283 1 778 . 1 1 65 65 LEU CD1 C 13 26.056 0.300 . 2 . . . . 65 LEU CD1 . 11283 1 779 . 1 1 65 65 LEU CD2 C 13 24.100 0.300 . 2 . . . . 65 LEU CD2 . 11283 1 780 . 1 1 65 65 LEU CG C 13 27.125 0.300 . 1 . . . . 65 LEU CG . 11283 1 781 . 1 1 65 65 LEU N N 15 131.344 0.300 . 1 . . . . 65 LEU N . 11283 1 782 . 1 1 66 66 LYS H H 1 8.847 0.030 . 1 . . . . 66 LYS H . 11283 1 783 . 1 1 66 66 LYS HA H 1 4.134 0.030 . 1 . . . . 66 LYS HA . 11283 1 784 . 1 1 66 66 LYS HB2 H 1 1.641 0.030 . 2 . . . . 66 LYS HB2 . 11283 1 785 . 1 1 66 66 LYS HB3 H 1 1.801 0.030 . 2 . . . . 66 LYS HB3 . 11283 1 786 . 1 1 66 66 LYS HD2 H 1 1.580 0.030 . 2 . . . . 66 LYS HD2 . 11283 1 787 . 1 1 66 66 LYS HD3 H 1 1.631 0.030 . 2 . . . . 66 LYS HD3 . 11283 1 788 . 1 1 66 66 LYS HE2 H 1 2.944 0.030 . 1 . . . . 66 LYS HE2 . 11283 1 789 . 1 1 66 66 LYS HE3 H 1 2.944 0.030 . 1 . . . . 66 LYS HE3 . 11283 1 790 . 1 1 66 66 LYS HG2 H 1 1.346 0.030 . 1 . . . . 66 LYS HG2 . 11283 1 791 . 1 1 66 66 LYS HG3 H 1 1.346 0.030 . 1 . . . . 66 LYS HG3 . 11283 1 792 . 1 1 66 66 LYS C C 13 177.588 0.300 . 1 . . . . 66 LYS C . 11283 1 793 . 1 1 66 66 LYS CA C 13 59.236 0.300 . 1 . . . . 66 LYS CA . 11283 1 794 . 1 1 66 66 LYS CB C 13 32.605 0.300 . 1 . . . . 66 LYS CB . 11283 1 795 . 1 1 66 66 LYS CD C 13 29.430 0.300 . 1 . . . . 66 LYS CD . 11283 1 796 . 1 1 66 66 LYS CE C 13 41.842 0.300 . 1 . . . . 66 LYS CE . 11283 1 797 . 1 1 66 66 LYS CG C 13 24.000 0.300 . 1 . . . . 66 LYS CG . 11283 1 798 . 1 1 66 66 LYS N N 15 120.616 0.300 . 1 . . . . 66 LYS N . 11283 1 799 . 1 1 67 67 SER H H 1 7.692 0.030 . 1 . . . . 67 SER H . 11283 1 800 . 1 1 67 67 SER HA H 1 4.117 0.030 . 1 . . . . 67 SER HA . 11283 1 801 . 1 1 67 67 SER HB2 H 1 3.926 0.030 . 2 . . . . 67 SER HB2 . 11283 1 802 . 1 1 67 67 SER HB3 H 1 4.005 0.030 . 2 . . . . 67 SER HB3 . 11283 1 803 . 1 1 67 67 SER C C 13 174.354 0.300 . 1 . . . . 67 SER C . 11283 1 804 . 1 1 67 67 SER CA C 13 60.510 0.300 . 1 . . . . 67 SER CA . 11283 1 805 . 1 1 67 67 SER CB C 13 63.673 0.300 . 1 . . . . 67 SER CB . 11283 1 806 . 1 1 67 67 SER N N 15 113.704 0.300 . 1 . . . . 67 SER N . 11283 1 807 . 1 1 68 68 LEU H H 1 7.504 0.030 . 1 . . . . 68 LEU H . 11283 1 808 . 1 1 68 68 LEU HA H 1 4.285 0.030 . 1 . . . . 68 LEU HA . 11283 1 809 . 1 1 68 68 LEU HB2 H 1 1.945 0.030 . 2 . . . . 68 LEU HB2 . 11283 1 810 . 1 1 68 68 LEU HB3 H 1 1.602 0.030 . 2 . . . . 68 LEU HB3 . 11283 1 811 . 1 1 68 68 LEU HD11 H 1 0.478 0.030 . 1 . . . . 68 LEU HD1 . 11283 1 812 . 1 1 68 68 LEU HD12 H 1 0.478 0.030 . 1 . . . . 68 LEU HD1 . 11283 1 813 . 1 1 68 68 LEU HD13 H 1 0.478 0.030 . 1 . . . . 68 LEU HD1 . 11283 1 814 . 1 1 68 68 LEU HD21 H 1 0.659 0.030 . 1 . . . . 68 LEU HD2 . 11283 1 815 . 1 1 68 68 LEU HD22 H 1 0.659 0.030 . 1 . . . . 68 LEU HD2 . 11283 1 816 . 1 1 68 68 LEU HD23 H 1 0.659 0.030 . 1 . . . . 68 LEU HD2 . 11283 1 817 . 1 1 68 68 LEU HG H 1 1.345 0.030 . 1 . . . . 68 LEU HG . 11283 1 818 . 1 1 68 68 LEU C C 13 176.392 0.300 . 1 . . . . 68 LEU C . 11283 1 819 . 1 1 68 68 LEU CA C 13 54.594 0.300 . 1 . . . . 68 LEU CA . 11283 1 820 . 1 1 68 68 LEU CB C 13 42.137 0.300 . 1 . . . . 68 LEU CB . 11283 1 821 . 1 1 68 68 LEU CD1 C 13 26.014 0.300 . 2 . . . . 68 LEU CD1 . 11283 1 822 . 1 1 68 68 LEU CD2 C 13 22.069 0.300 . 2 . . . . 68 LEU CD2 . 11283 1 823 . 1 1 68 68 LEU CG C 13 26.581 0.300 . 1 . . . . 68 LEU CG . 11283 1 824 . 1 1 68 68 LEU N N 15 119.484 0.300 . 1 . . . . 68 LEU N . 11283 1 825 . 1 1 69 69 HIS H H 1 7.379 0.030 . 1 . . . . 69 HIS H . 11283 1 826 . 1 1 69 69 HIS HA H 1 4.196 0.030 . 1 . . . . 69 HIS HA . 11283 1 827 . 1 1 69 69 HIS HB2 H 1 3.152 0.030 . 2 . . . . 69 HIS HB2 . 11283 1 828 . 1 1 69 69 HIS HB3 H 1 3.269 0.030 . 2 . . . . 69 HIS HB3 . 11283 1 829 . 1 1 69 69 HIS HD2 H 1 7.063 0.030 . 1 . . . . 69 HIS HD2 . 11283 1 830 . 1 1 69 69 HIS C C 13 174.694 0.300 . 1 . . . . 69 HIS C . 11283 1 831 . 1 1 69 69 HIS CA C 13 56.882 0.300 . 1 . . . . 69 HIS CA . 11283 1 832 . 1 1 69 69 HIS CB C 13 27.328 0.300 . 1 . . . . 69 HIS CB . 11283 1 833 . 1 1 69 69 HIS CD2 C 13 120.348 0.300 . 1 . . . . 69 HIS CD2 . 11283 1 834 . 1 1 69 69 HIS N N 15 116.151 0.300 . 1 . . . . 69 HIS N . 11283 1 835 . 1 1 70 70 LEU H H 1 9.360 0.030 . 1 . . . . 70 LEU H . 11283 1 836 . 1 1 70 70 LEU HA H 1 4.469 0.030 . 1 . . . . 70 LEU HA . 11283 1 837 . 1 1 70 70 LEU HB2 H 1 2.191 0.030 . 2 . . . . 70 LEU HB2 . 11283 1 838 . 1 1 70 70 LEU HB3 H 1 1.822 0.030 . 2 . . . . 70 LEU HB3 . 11283 1 839 . 1 1 70 70 LEU HD11 H 1 1.209 0.030 . 1 . . . . 70 LEU HD1 . 11283 1 840 . 1 1 70 70 LEU HD12 H 1 1.209 0.030 . 1 . . . . 70 LEU HD1 . 11283 1 841 . 1 1 70 70 LEU HD13 H 1 1.209 0.030 . 1 . . . . 70 LEU HD1 . 11283 1 842 . 1 1 70 70 LEU HD21 H 1 1.273 0.030 . 1 . . . . 70 LEU HD2 . 11283 1 843 . 1 1 70 70 LEU HD22 H 1 1.273 0.030 . 1 . . . . 70 LEU HD2 . 11283 1 844 . 1 1 70 70 LEU HD23 H 1 1.273 0.030 . 1 . . . . 70 LEU HD2 . 11283 1 845 . 1 1 70 70 LEU HG H 1 1.710 0.030 . 1 . . . . 70 LEU HG . 11283 1 846 . 1 1 70 70 LEU C C 13 176.608 0.300 . 1 . . . . 70 LEU C . 11283 1 847 . 1 1 70 70 LEU CA C 13 53.889 0.300 . 1 . . . . 70 LEU CA . 11283 1 848 . 1 1 70 70 LEU CB C 13 40.672 0.300 . 1 . . . . 70 LEU CB . 11283 1 849 . 1 1 70 70 LEU CD1 C 13 22.307 0.300 . 2 . . . . 70 LEU CD1 . 11283 1 850 . 1 1 70 70 LEU CD2 C 13 26.996 0.300 . 2 . . . . 70 LEU CD2 . 11283 1 851 . 1 1 70 70 LEU CG C 13 26.996 0.300 . 1 . . . . 70 LEU CG . 11283 1 852 . 1 1 70 70 LEU N N 15 121.466 0.300 . 1 . . . . 70 LEU N . 11283 1 853 . 1 1 71 71 PRO HA H 1 4.662 0.030 . 1 . . . . 71 PRO HA . 11283 1 854 . 1 1 71 71 PRO HB2 H 1 2.302 0.030 . 2 . . . . 71 PRO HB2 . 11283 1 855 . 1 1 71 71 PRO HB3 H 1 2.193 0.030 . 2 . . . . 71 PRO HB3 . 11283 1 856 . 1 1 71 71 PRO HD2 H 1 3.773 0.030 . 2 . . . . 71 PRO HD2 . 11283 1 857 . 1 1 71 71 PRO HD3 H 1 4.065 0.030 . 2 . . . . 71 PRO HD3 . 11283 1 858 . 1 1 71 71 PRO HG2 H 1 1.964 0.030 . 2 . . . . 71 PRO HG2 . 11283 1 859 . 1 1 71 71 PRO HG3 H 1 2.022 0.030 . 2 . . . . 71 PRO HG3 . 11283 1 860 . 1 1 71 71 PRO C C 13 173.664 0.300 . 1 . . . . 71 PRO C . 11283 1 861 . 1 1 71 71 PRO CA C 13 62.048 0.300 . 1 . . . . 71 PRO CA . 11283 1 862 . 1 1 71 71 PRO CB C 13 32.075 0.300 . 1 . . . . 71 PRO CB . 11283 1 863 . 1 1 71 71 PRO CD C 13 49.595 0.300 . 1 . . . . 71 PRO CD . 11283 1 864 . 1 1 71 71 PRO CG C 13 26.419 0.300 . 1 . . . . 71 PRO CG . 11283 1 865 . 1 1 72 72 LYS H H 1 8.116 0.030 . 1 . . . . 72 LYS H . 11283 1 866 . 1 1 72 72 LYS HA H 1 3.828 0.030 . 1 . . . . 72 LYS HA . 11283 1 867 . 1 1 72 72 LYS HB2 H 1 1.692 0.030 . 2 . . . . 72 LYS HB2 . 11283 1 868 . 1 1 72 72 LYS HB3 H 1 1.835 0.030 . 2 . . . . 72 LYS HB3 . 11283 1 869 . 1 1 72 72 LYS HD2 H 1 1.770 0.030 . 2 . . . . 72 LYS HD2 . 11283 1 870 . 1 1 72 72 LYS HD3 H 1 1.640 0.030 . 2 . . . . 72 LYS HD3 . 11283 1 871 . 1 1 72 72 LYS HE2 H 1 2.981 0.030 . 1 . . . . 72 LYS HE2 . 11283 1 872 . 1 1 72 72 LYS HE3 H 1 2.981 0.030 . 1 . . . . 72 LYS HE3 . 11283 1 873 . 1 1 72 72 LYS HG2 H 1 1.483 0.030 . 2 . . . . 72 LYS HG2 . 11283 1 874 . 1 1 72 72 LYS HG3 H 1 1.443 0.030 . 2 . . . . 72 LYS HG3 . 11283 1 875 . 1 1 72 72 LYS C C 13 175.036 0.300 . 1 . . . . 72 LYS C . 11283 1 876 . 1 1 72 72 LYS CA C 13 59.795 0.300 . 1 . . . . 72 LYS CA . 11283 1 877 . 1 1 72 72 LYS CB C 13 32.877 0.300 . 1 . . . . 72 LYS CB . 11283 1 878 . 1 1 72 72 LYS CD C 13 29.193 0.300 . 1 . . . . 72 LYS CD . 11283 1 879 . 1 1 72 72 LYS CE C 13 42.418 0.300 . 1 . . . . 72 LYS CE . 11283 1 880 . 1 1 72 72 LYS CG C 13 24.905 0.300 . 1 . . . . 72 LYS CG . 11283 1 881 . 1 1 72 72 LYS N N 15 116.960 0.300 . 1 . . . . 72 LYS N . 11283 1 882 . 1 1 73 73 ASN H H 1 7.526 0.030 . 1 . . . . 73 ASN H . 11283 1 883 . 1 1 73 73 ASN HA H 1 5.037 0.030 . 1 . . . . 73 ASN HA . 11283 1 884 . 1 1 73 73 ASN HB2 H 1 2.480 0.030 . 2 . . . . 73 ASN HB2 . 11283 1 885 . 1 1 73 73 ASN HB3 H 1 2.594 0.030 . 2 . . . . 73 ASN HB3 . 11283 1 886 . 1 1 73 73 ASN HD21 H 1 6.851 0.030 . 2 . . . . 73 ASN HD21 . 11283 1 887 . 1 1 73 73 ASN HD22 H 1 7.617 0.030 . 2 . . . . 73 ASN HD22 . 11283 1 888 . 1 1 73 73 ASN C C 13 174.023 0.300 . 1 . . . . 73 ASN C . 11283 1 889 . 1 1 73 73 ASN CA C 13 52.935 0.300 . 1 . . . . 73 ASN CA . 11283 1 890 . 1 1 73 73 ASN CB C 13 40.325 0.300 . 1 . . . . 73 ASN CB . 11283 1 891 . 1 1 73 73 ASN N N 15 110.958 0.300 . 1 . . . . 73 ASN N . 11283 1 892 . 1 1 73 73 ASN ND2 N 15 112.813 0.300 . 1 . . . . 73 ASN ND2 . 11283 1 893 . 1 1 74 74 ASN H H 1 7.965 0.030 . 1 . . . . 74 ASN H . 11283 1 894 . 1 1 74 74 ASN HA H 1 4.870 0.030 . 1 . . . . 74 ASN HA . 11283 1 895 . 1 1 74 74 ASN HB2 H 1 2.247 0.030 . 2 . . . . 74 ASN HB2 . 11283 1 896 . 1 1 74 74 ASN HB3 H 1 2.044 0.030 . 2 . . . . 74 ASN HB3 . 11283 1 897 . 1 1 74 74 ASN HD21 H 1 7.570 0.030 . 2 . . . . 74 ASN HD21 . 11283 1 898 . 1 1 74 74 ASN HD22 H 1 6.791 0.030 . 2 . . . . 74 ASN HD22 . 11283 1 899 . 1 1 74 74 ASN C C 13 173.901 0.300 . 1 . . . . 74 ASN C . 11283 1 900 . 1 1 74 74 ASN CA C 13 53.108 0.300 . 1 . . . . 74 ASN CA . 11283 1 901 . 1 1 74 74 ASN CB C 13 44.894 0.300 . 1 . . . . 74 ASN CB . 11283 1 902 . 1 1 74 74 ASN N N 15 120.189 0.300 . 1 . . . . 74 ASN N . 11283 1 903 . 1 1 74 74 ASN ND2 N 15 113.698 0.300 . 1 . . . . 74 ASN ND2 . 11283 1 904 . 1 1 75 75 SER H H 1 8.904 0.030 . 1 . . . . 75 SER H . 11283 1 905 . 1 1 75 75 SER HA H 1 5.483 0.030 . 1 . . . . 75 SER HA . 11283 1 906 . 1 1 75 75 SER HB2 H 1 3.766 0.030 . 2 . . . . 75 SER HB2 . 11283 1 907 . 1 1 75 75 SER HB3 H 1 3.908 0.030 . 2 . . . . 75 SER HB3 . 11283 1 908 . 1 1 75 75 SER C C 13 173.017 0.300 . 1 . . . . 75 SER C . 11283 1 909 . 1 1 75 75 SER CA C 13 57.707 0.300 . 1 . . . . 75 SER CA . 11283 1 910 . 1 1 75 75 SER CB C 13 64.708 0.300 . 1 . . . . 75 SER CB . 11283 1 911 . 1 1 75 75 SER N N 15 119.409 0.300 . 1 . . . . 75 SER N . 11283 1 912 . 1 1 76 76 LEU H H 1 8.778 0.030 . 1 . . . . 76 LEU H . 11283 1 913 . 1 1 76 76 LEU HA H 1 4.974 0.030 . 1 . . . . 76 LEU HA . 11283 1 914 . 1 1 76 76 LEU HB2 H 1 1.300 0.030 . 2 . . . . 76 LEU HB2 . 11283 1 915 . 1 1 76 76 LEU HB3 H 1 1.451 0.030 . 2 . . . . 76 LEU HB3 . 11283 1 916 . 1 1 76 76 LEU HD11 H 1 0.185 0.030 . 1 . . . . 76 LEU HD1 . 11283 1 917 . 1 1 76 76 LEU HD12 H 1 0.185 0.030 . 1 . . . . 76 LEU HD1 . 11283 1 918 . 1 1 76 76 LEU HD13 H 1 0.185 0.030 . 1 . . . . 76 LEU HD1 . 11283 1 919 . 1 1 76 76 LEU HD21 H 1 -0.493 0.030 . 1 . . . . 76 LEU HD2 . 11283 1 920 . 1 1 76 76 LEU HD22 H 1 -0.493 0.030 . 1 . . . . 76 LEU HD2 . 11283 1 921 . 1 1 76 76 LEU HD23 H 1 -0.493 0.030 . 1 . . . . 76 LEU HD2 . 11283 1 922 . 1 1 76 76 LEU HG H 1 1.095 0.030 . 1 . . . . 76 LEU HG . 11283 1 923 . 1 1 76 76 LEU C C 13 175.491 0.300 . 1 . . . . 76 LEU C . 11283 1 924 . 1 1 76 76 LEU CA C 13 52.976 0.300 . 1 . . . . 76 LEU CA . 11283 1 925 . 1 1 76 76 LEU CB C 13 48.388 0.300 . 1 . . . . 76 LEU CB . 11283 1 926 . 1 1 76 76 LEU CD1 C 13 27.125 0.300 . 2 . . . . 76 LEU CD1 . 11283 1 927 . 1 1 76 76 LEU CD2 C 13 20.218 0.300 . 2 . . . . 76 LEU CD2 . 11283 1 928 . 1 1 76 76 LEU CG C 13 27.040 0.300 . 1 . . . . 76 LEU CG . 11283 1 929 . 1 1 76 76 LEU N N 15 124.094 0.300 . 1 . . . . 76 LEU N . 11283 1 930 . 1 1 77 77 TYR H H 1 8.687 0.030 . 1 . . . . 77 TYR H . 11283 1 931 . 1 1 77 77 TYR HA H 1 5.590 0.030 . 1 . . . . 77 TYR HA . 11283 1 932 . 1 1 77 77 TYR HB2 H 1 2.993 0.030 . 2 . . . . 77 TYR HB2 . 11283 1 933 . 1 1 77 77 TYR HB3 H 1 3.135 0.030 . 2 . . . . 77 TYR HB3 . 11283 1 934 . 1 1 77 77 TYR HD1 H 1 6.903 0.030 . 1 . . . . 77 TYR HD1 . 11283 1 935 . 1 1 77 77 TYR HD2 H 1 6.903 0.030 . 1 . . . . 77 TYR HD2 . 11283 1 936 . 1 1 77 77 TYR HE1 H 1 6.653 0.030 . 1 . . . . 77 TYR HE1 . 11283 1 937 . 1 1 77 77 TYR HE2 H 1 6.653 0.030 . 1 . . . . 77 TYR HE2 . 11283 1 938 . 1 1 77 77 TYR C C 13 172.667 0.300 . 1 . . . . 77 TYR C . 11283 1 939 . 1 1 77 77 TYR CA C 13 56.368 0.300 . 1 . . . . 77 TYR CA . 11283 1 940 . 1 1 77 77 TYR CB C 13 40.988 0.300 . 1 . . . . 77 TYR CB . 11283 1 941 . 1 1 77 77 TYR CD1 C 13 133.865 0.300 . 1 . . . . 77 TYR CD1 . 11283 1 942 . 1 1 77 77 TYR CD2 C 13 133.865 0.300 . 1 . . . . 77 TYR CD2 . 11283 1 943 . 1 1 77 77 TYR CE1 C 13 117.677 0.300 . 1 . . . . 77 TYR CE1 . 11283 1 944 . 1 1 77 77 TYR CE2 C 13 117.677 0.300 . 1 . . . . 77 TYR CE2 . 11283 1 945 . 1 1 77 77 TYR N N 15 117.080 0.300 . 1 . . . . 77 TYR N . 11283 1 946 . 1 1 78 78 VAL H H 1 8.621 0.030 . 1 . . . . 78 VAL H . 11283 1 947 . 1 1 78 78 VAL HA H 1 5.068 0.030 . 1 . . . . 78 VAL HA . 11283 1 948 . 1 1 78 78 VAL HB H 1 1.874 0.030 . 1 . . . . 78 VAL HB . 11283 1 949 . 1 1 78 78 VAL HG11 H 1 0.653 0.030 . 1 . . . . 78 VAL HG1 . 11283 1 950 . 1 1 78 78 VAL HG12 H 1 0.653 0.030 . 1 . . . . 78 VAL HG1 . 11283 1 951 . 1 1 78 78 VAL HG13 H 1 0.653 0.030 . 1 . . . . 78 VAL HG1 . 11283 1 952 . 1 1 78 78 VAL HG21 H 1 0.695 0.030 . 1 . . . . 78 VAL HG2 . 11283 1 953 . 1 1 78 78 VAL HG22 H 1 0.695 0.030 . 1 . . . . 78 VAL HG2 . 11283 1 954 . 1 1 78 78 VAL HG23 H 1 0.695 0.030 . 1 . . . . 78 VAL HG2 . 11283 1 955 . 1 1 78 78 VAL C C 13 174.961 0.300 . 1 . . . . 78 VAL C . 11283 1 956 . 1 1 78 78 VAL CA C 13 59.871 0.300 . 1 . . . . 78 VAL CA . 11283 1 957 . 1 1 78 78 VAL CB C 13 34.651 0.300 . 1 . . . . 78 VAL CB . 11283 1 958 . 1 1 78 78 VAL CG1 C 13 22.356 0.300 . 2 . . . . 78 VAL CG1 . 11283 1 959 . 1 1 78 78 VAL CG2 C 13 23.121 0.300 . 2 . . . . 78 VAL CG2 . 11283 1 960 . 1 1 78 78 VAL N N 15 119.917 0.300 . 1 . . . . 78 VAL N . 11283 1 961 . 1 1 79 79 LEU H H 1 8.899 0.030 . 1 . . . . 79 LEU H . 11283 1 962 . 1 1 79 79 LEU HA H 1 5.174 0.030 . 1 . . . . 79 LEU HA . 11283 1 963 . 1 1 79 79 LEU HB2 H 1 1.698 0.030 . 2 . . . . 79 LEU HB2 . 11283 1 964 . 1 1 79 79 LEU HB3 H 1 1.773 0.030 . 2 . . . . 79 LEU HB3 . 11283 1 965 . 1 1 79 79 LEU HD11 H 1 1.080 0.030 . 1 . . . . 79 LEU HD1 . 11283 1 966 . 1 1 79 79 LEU HD12 H 1 1.080 0.030 . 1 . . . . 79 LEU HD1 . 11283 1 967 . 1 1 79 79 LEU HD13 H 1 1.080 0.030 . 1 . . . . 79 LEU HD1 . 11283 1 968 . 1 1 79 79 LEU HD21 H 1 1.166 0.030 . 1 . . . . 79 LEU HD2 . 11283 1 969 . 1 1 79 79 LEU HD22 H 1 1.166 0.030 . 1 . . . . 79 LEU HD2 . 11283 1 970 . 1 1 79 79 LEU HD23 H 1 1.166 0.030 . 1 . . . . 79 LEU HD2 . 11283 1 971 . 1 1 79 79 LEU HG H 1 1.774 0.030 . 1 . . . . 79 LEU HG . 11283 1 972 . 1 1 79 79 LEU C C 13 176.554 0.300 . 1 . . . . 79 LEU C . 11283 1 973 . 1 1 79 79 LEU CA C 13 53.293 0.300 . 1 . . . . 79 LEU CA . 11283 1 974 . 1 1 79 79 LEU CB C 13 45.578 0.300 . 1 . . . . 79 LEU CB . 11283 1 975 . 1 1 79 79 LEU CD1 C 13 25.974 0.300 . 2 . . . . 79 LEU CD1 . 11283 1 976 . 1 1 79 79 LEU CD2 C 13 23.139 0.300 . 2 . . . . 79 LEU CD2 . 11283 1 977 . 1 1 79 79 LEU CG C 13 27.300 0.300 . 1 . . . . 79 LEU CG . 11283 1 978 . 1 1 79 79 LEU N N 15 125.059 0.300 . 1 . . . . 79 LEU N . 11283 1 979 . 1 1 80 80 THR H H 1 9.054 0.030 . 1 . . . . 80 THR H . 11283 1 980 . 1 1 80 80 THR HA H 1 5.306 0.030 . 1 . . . . 80 THR HA . 11283 1 981 . 1 1 80 80 THR HB H 1 4.332 0.030 . 1 . . . . 80 THR HB . 11283 1 982 . 1 1 80 80 THR HG21 H 1 1.053 0.030 . 1 . . . . 80 THR HG2 . 11283 1 983 . 1 1 80 80 THR HG22 H 1 1.053 0.030 . 1 . . . . 80 THR HG2 . 11283 1 984 . 1 1 80 80 THR HG23 H 1 1.053 0.030 . 1 . . . . 80 THR HG2 . 11283 1 985 . 1 1 80 80 THR C C 13 174.846 0.300 . 1 . . . . 80 THR C . 11283 1 986 . 1 1 80 80 THR CA C 13 56.246 0.300 . 1 . . . . 80 THR CA . 11283 1 987 . 1 1 80 80 THR CB C 13 70.877 0.300 . 1 . . . . 80 THR CB . 11283 1 988 . 1 1 80 80 THR CG2 C 13 20.453 0.300 . 1 . . . . 80 THR CG2 . 11283 1 989 . 1 1 80 80 THR N N 15 110.144 0.300 . 1 . . . . 80 THR N . 11283 1 990 . 1 1 81 81 PRO HA H 1 4.401 0.030 . 1 . . . . 81 PRO HA . 11283 1 991 . 1 1 81 81 PRO HB2 H 1 2.404 0.030 . 2 . . . . 81 PRO HB2 . 11283 1 992 . 1 1 81 81 PRO HB3 H 1 1.984 0.030 . 2 . . . . 81 PRO HB3 . 11283 1 993 . 1 1 81 81 PRO HD2 H 1 3.492 0.030 . 2 . . . . 81 PRO HD2 . 11283 1 994 . 1 1 81 81 PRO HD3 H 1 3.785 0.030 . 2 . . . . 81 PRO HD3 . 11283 1 995 . 1 1 81 81 PRO HG2 H 1 1.981 0.030 . 2 . . . . 81 PRO HG2 . 11283 1 996 . 1 1 81 81 PRO HG3 H 1 2.062 0.030 . 2 . . . . 81 PRO HG3 . 11283 1 997 . 1 1 81 81 PRO C C 13 176.905 0.300 . 1 . . . . 81 PRO C . 11283 1 998 . 1 1 81 81 PRO CA C 13 64.535 0.300 . 1 . . . . 81 PRO CA . 11283 1 999 . 1 1 81 81 PRO CB C 13 32.108 0.300 . 1 . . . . 81 PRO CB . 11283 1 1000 . 1 1 81 81 PRO CD C 13 50.716 0.300 . 1 . . . . 81 PRO CD . 11283 1 1001 . 1 1 81 81 PRO CG C 13 27.371 0.300 . 1 . . . . 81 PRO CG . 11283 1 1002 . 1 1 82 82 ASP H H 1 8.726 0.030 . 1 . . . . 82 ASP H . 11283 1 1003 . 1 1 82 82 ASP HA H 1 4.797 0.030 . 1 . . . . 82 ASP HA . 11283 1 1004 . 1 1 82 82 ASP HB2 H 1 2.809 0.030 . 2 . . . . 82 ASP HB2 . 11283 1 1005 . 1 1 82 82 ASP HB3 H 1 2.571 0.030 . 2 . . . . 82 ASP HB3 . 11283 1 1006 . 1 1 82 82 ASP C C 13 175.789 0.300 . 1 . . . . 82 ASP C . 11283 1 1007 . 1 1 82 82 ASP CA C 13 54.241 0.300 . 1 . . . . 82 ASP CA . 11283 1 1008 . 1 1 82 82 ASP CB C 13 41.106 0.300 . 1 . . . . 82 ASP CB . 11283 1 1009 . 1 1 82 82 ASP N N 15 116.479 0.300 . 1 . . . . 82 ASP N . 11283 1 1010 . 1 1 83 83 LEU H H 1 7.757 0.030 . 1 . . . . 83 LEU H . 11283 1 1011 . 1 1 83 83 LEU HA H 1 4.829 0.030 . 1 . . . . 83 LEU HA . 11283 1 1012 . 1 1 83 83 LEU HB2 H 1 1.668 0.030 . 1 . . . . 83 LEU HB2 . 11283 1 1013 . 1 1 83 83 LEU HB3 H 1 1.668 0.030 . 1 . . . . 83 LEU HB3 . 11283 1 1014 . 1 1 83 83 LEU HD11 H 1 0.961 0.030 . 1 . . . . 83 LEU HD1 . 11283 1 1015 . 1 1 83 83 LEU HD12 H 1 0.961 0.030 . 1 . . . . 83 LEU HD1 . 11283 1 1016 . 1 1 83 83 LEU HD13 H 1 0.961 0.030 . 1 . . . . 83 LEU HD1 . 11283 1 1017 . 1 1 83 83 LEU HD21 H 1 0.992 0.030 . 1 . . . . 83 LEU HD2 . 11283 1 1018 . 1 1 83 83 LEU HD22 H 1 0.992 0.030 . 1 . . . . 83 LEU HD2 . 11283 1 1019 . 1 1 83 83 LEU HD23 H 1 0.992 0.030 . 1 . . . . 83 LEU HD2 . 11283 1 1020 . 1 1 83 83 LEU HG H 1 1.640 0.030 . 1 . . . . 83 LEU HG . 11283 1 1021 . 1 1 83 83 LEU C C 13 174.093 0.300 . 1 . . . . 83 LEU C . 11283 1 1022 . 1 1 83 83 LEU CA C 13 52.280 0.300 . 1 . . . . 83 LEU CA . 11283 1 1023 . 1 1 83 83 LEU CB C 13 42.124 0.300 . 1 . . . . 83 LEU CB . 11283 1 1024 . 1 1 83 83 LEU CD1 C 13 23.801 0.300 . 2 . . . . 83 LEU CD1 . 11283 1 1025 . 1 1 83 83 LEU CD2 C 13 25.423 0.300 . 2 . . . . 83 LEU CD2 . 11283 1 1026 . 1 1 83 83 LEU CG C 13 27.258 0.300 . 1 . . . . 83 LEU CG . 11283 1 1027 . 1 1 83 83 LEU N N 15 122.004 0.300 . 1 . . . . 83 LEU N . 11283 1 1028 . 1 1 84 84 PRO HA H 1 4.870 0.030 . 1 . . . . 84 PRO HA . 11283 1 1029 . 1 1 84 84 PRO HB2 H 1 1.937 0.030 . 2 . . . . 84 PRO HB2 . 11283 1 1030 . 1 1 84 84 PRO HD2 H 1 3.690 0.030 . 2 . . . . 84 PRO HD2 . 11283 1 1031 . 1 1 84 84 PRO HD3 H 1 3.830 0.030 . 2 . . . . 84 PRO HD3 . 11283 1 1032 . 1 1 84 84 PRO HG2 H 1 2.040 0.030 . 1 . . . . 84 PRO HG2 . 11283 1 1033 . 1 1 84 84 PRO HG3 H 1 2.040 0.030 . 1 . . . . 84 PRO HG3 . 11283 1 1034 . 1 1 84 84 PRO CD C 13 50.700 0.300 . 1 . . . . 84 PRO CD . 11283 1 1035 . 1 1 84 84 PRO CG C 13 27.293 0.300 . 1 . . . . 84 PRO CG . 11283 1 1036 . 1 1 91 91 HIS HA H 1 4.630 0.030 . 1 . . . . 91 HIS HA . 11283 1 1037 . 1 1 91 91 HIS HB2 H 1 3.075 0.030 . 2 . . . . 91 HIS HB2 . 11283 1 1038 . 1 1 91 91 HIS HB3 H 1 3.175 0.030 . 2 . . . . 91 HIS HB3 . 11283 1 1039 . 1 1 91 91 HIS C C 13 175.161 0.300 . 1 . . . . 91 HIS C . 11283 1 1040 . 1 1 91 91 HIS CA C 13 56.283 0.300 . 1 . . . . 91 HIS CA . 11283 1 1041 . 1 1 91 91 HIS CB C 13 30.692 0.300 . 1 . . . . 91 HIS CB . 11283 1 1042 . 1 1 92 92 ALA H H 1 8.268 0.030 . 1 . . . . 92 ALA H . 11283 1 1043 . 1 1 92 92 ALA HA H 1 4.306 0.030 . 1 . . . . 92 ALA HA . 11283 1 1044 . 1 1 92 92 ALA HB1 H 1 1.377 0.030 . 1 . . . . 92 ALA HB . 11283 1 1045 . 1 1 92 92 ALA HB2 H 1 1.377 0.030 . 1 . . . . 92 ALA HB . 11283 1 1046 . 1 1 92 92 ALA HB3 H 1 1.377 0.030 . 1 . . . . 92 ALA HB . 11283 1 1047 . 1 1 92 92 ALA C C 13 178.206 0.300 . 1 . . . . 92 ALA C . 11283 1 1048 . 1 1 92 92 ALA CA C 13 52.950 0.300 . 1 . . . . 92 ALA CA . 11283 1 1049 . 1 1 92 92 ALA CB C 13 19.191 0.300 . 1 . . . . 92 ALA CB . 11283 1 1050 . 1 1 92 92 ALA N N 15 125.294 0.300 . 1 . . . . 92 ALA N . 11283 1 1051 . 1 1 93 93 GLY H H 1 8.383 0.030 . 1 . . . . 93 GLY H . 11283 1 1052 . 1 1 93 93 GLY HA2 H 1 3.941 0.030 . 1 . . . . 93 GLY HA2 . 11283 1 1053 . 1 1 93 93 GLY HA3 H 1 3.941 0.030 . 1 . . . . 93 GLY HA3 . 11283 1 1054 . 1 1 93 93 GLY C C 13 173.986 0.300 . 1 . . . . 93 GLY C . 11283 1 1055 . 1 1 93 93 GLY CA C 13 45.257 0.300 . 1 . . . . 93 GLY CA . 11283 1 1056 . 1 1 93 93 GLY N N 15 108.490 0.300 . 1 . . . . 93 GLY N . 11283 1 1057 . 1 1 94 94 ALA H H 1 8.083 0.030 . 1 . . . . 94 ALA H . 11283 1 1058 . 1 1 94 94 ALA HA H 1 4.314 0.030 . 1 . . . . 94 ALA HA . 11283 1 1059 . 1 1 94 94 ALA HB1 H 1 1.372 0.030 . 1 . . . . 94 ALA HB . 11283 1 1060 . 1 1 94 94 ALA HB2 H 1 1.372 0.030 . 1 . . . . 94 ALA HB . 11283 1 1061 . 1 1 94 94 ALA HB3 H 1 1.372 0.030 . 1 . . . . 94 ALA HB . 11283 1 1062 . 1 1 94 94 ALA C C 13 177.929 0.300 . 1 . . . . 94 ALA C . 11283 1 1063 . 1 1 94 94 ALA CA C 13 52.570 0.300 . 1 . . . . 94 ALA CA . 11283 1 1064 . 1 1 94 94 ALA CB C 13 19.271 0.300 . 1 . . . . 94 ALA CB . 11283 1 1065 . 1 1 94 94 ALA N N 15 123.621 0.300 . 1 . . . . 94 ALA N . 11283 1 1066 . 1 1 95 95 LEU H H 1 8.252 0.030 . 1 . . . . 95 LEU H . 11283 1 1067 . 1 1 95 95 LEU HA H 1 4.334 0.030 . 1 . . . . 95 LEU HA . 11283 1 1068 . 1 1 95 95 LEU HB2 H 1 1.665 0.030 . 1 . . . . 95 LEU HB2 . 11283 1 1069 . 1 1 95 95 LEU HB3 H 1 1.665 0.030 . 1 . . . . 95 LEU HB3 . 11283 1 1070 . 1 1 95 95 LEU HD11 H 1 0.931 0.030 . 1 . . . . 95 LEU HD1 . 11283 1 1071 . 1 1 95 95 LEU HD12 H 1 0.931 0.030 . 1 . . . . 95 LEU HD1 . 11283 1 1072 . 1 1 95 95 LEU HD13 H 1 0.931 0.030 . 1 . . . . 95 LEU HD1 . 11283 1 1073 . 1 1 95 95 LEU HD21 H 1 0.887 0.030 . 1 . . . . 95 LEU HD2 . 11283 1 1074 . 1 1 95 95 LEU HD22 H 1 0.887 0.030 . 1 . . . . 95 LEU HD2 . 11283 1 1075 . 1 1 95 95 LEU HD23 H 1 0.887 0.030 . 1 . . . . 95 LEU HD2 . 11283 1 1076 . 1 1 95 95 LEU HG H 1 1.587 0.030 . 1 . . . . 95 LEU HG . 11283 1 1077 . 1 1 95 95 LEU C C 13 177.509 0.300 . 1 . . . . 95 LEU C . 11283 1 1078 . 1 1 95 95 LEU CA C 13 55.352 0.300 . 1 . . . . 95 LEU CA . 11283 1 1079 . 1 1 95 95 LEU CB C 13 42.237 0.300 . 1 . . . . 95 LEU CB . 11283 1 1080 . 1 1 95 95 LEU CD1 C 13 24.905 0.300 . 2 . . . . 95 LEU CD1 . 11283 1 1081 . 1 1 95 95 LEU CD2 C 13 24.000 0.300 . 2 . . . . 95 LEU CD2 . 11283 1 1082 . 1 1 95 95 LEU CG C 13 27.043 0.300 . 1 . . . . 95 LEU CG . 11283 1 1083 . 1 1 95 95 LEU N N 15 121.266 0.300 . 1 . . . . 95 LEU N . 11283 1 1084 . 1 1 96 96 GLN H H 1 8.342 0.030 . 1 . . . . 96 GLN H . 11283 1 1085 . 1 1 96 96 GLN HA H 1 4.315 0.030 . 1 . . . . 96 GLN HA . 11283 1 1086 . 1 1 96 96 GLN HB2 H 1 2.079 0.030 . 1 . . . . 96 GLN HB2 . 11283 1 1087 . 1 1 96 96 GLN HB3 H 1 2.079 0.030 . 1 . . . . 96 GLN HB3 . 11283 1 1088 . 1 1 96 96 GLN HG2 H 1 2.358 0.030 . 1 . . . . 96 GLN HG2 . 11283 1 1089 . 1 1 96 96 GLN HG3 H 1 2.358 0.030 . 1 . . . . 96 GLN HG3 . 11283 1 1090 . 1 1 96 96 GLN C C 13 175.983 0.300 . 1 . . . . 96 GLN C . 11283 1 1091 . 1 1 96 96 GLN CA C 13 55.977 0.300 . 1 . . . . 96 GLN CA . 11283 1 1092 . 1 1 96 96 GLN CB C 13 29.428 0.300 . 1 . . . . 96 GLN CB . 11283 1 1093 . 1 1 96 96 GLN CG C 13 33.823 0.300 . 1 . . . . 96 GLN CG . 11283 1 1094 . 1 1 96 96 GLN N N 15 121.198 0.300 . 1 . . . . 96 GLN N . 11283 1 1095 . 1 1 97 97 GLU H H 1 8.439 0.030 . 1 . . . . 97 GLU H . 11283 1 1096 . 1 1 97 97 GLU HA H 1 4.286 0.030 . 1 . . . . 97 GLU HA . 11283 1 1097 . 1 1 97 97 GLU HB2 H 1 2.060 0.030 . 1 . . . . 97 GLU HB2 . 11283 1 1098 . 1 1 97 97 GLU HB3 H 1 2.060 0.030 . 1 . . . . 97 GLU HB3 . 11283 1 1099 . 1 1 97 97 GLU HG2 H 1 2.250 0.030 . 1 . . . . 97 GLU HG2 . 11283 1 1100 . 1 1 97 97 GLU HG3 H 1 2.250 0.030 . 1 . . . . 97 GLU HG3 . 11283 1 1101 . 1 1 97 97 GLU C C 13 176.437 0.300 . 1 . . . . 97 GLU C . 11283 1 1102 . 1 1 97 97 GLU CA C 13 56.817 0.300 . 1 . . . . 97 GLU CA . 11283 1 1103 . 1 1 97 97 GLU CB C 13 30.458 0.300 . 1 . . . . 97 GLU CB . 11283 1 1104 . 1 1 97 97 GLU CG C 13 36.580 0.300 . 1 . . . . 97 GLU CG . 11283 1 1105 . 1 1 97 97 GLU N N 15 122.256 0.300 . 1 . . . . 97 GLU N . 11283 1 1106 . 1 1 98 98 SER H H 1 8.355 0.030 . 1 . . . . 98 SER H . 11283 1 1107 . 1 1 98 98 SER HA H 1 4.468 0.030 . 1 . . . . 98 SER HA . 11283 1 1108 . 1 1 98 98 SER HB2 H 1 3.858 0.030 . 1 . . . . 98 SER HB2 . 11283 1 1109 . 1 1 98 98 SER HB3 H 1 3.858 0.030 . 1 . . . . 98 SER HB3 . 11283 1 1110 . 1 1 98 98 SER C C 13 174.322 0.300 . 1 . . . . 98 SER C . 11283 1 1111 . 1 1 98 98 SER CA C 13 58.259 0.300 . 1 . . . . 98 SER CA . 11283 1 1112 . 1 1 98 98 SER CB C 13 63.909 0.300 . 1 . . . . 98 SER CB . 11283 1 1113 . 1 1 98 98 SER N N 15 116.690 0.300 . 1 . . . . 98 SER N . 11283 1 1114 . 1 1 99 99 LEU H H 1 8.329 0.030 . 1 . . . . 99 LEU H . 11283 1 1115 . 1 1 99 99 LEU HA H 1 4.419 0.030 . 1 . . . . 99 LEU HA . 11283 1 1116 . 1 1 99 99 LEU HB2 H 1 1.665 0.030 . 1 . . . . 99 LEU HB2 . 11283 1 1117 . 1 1 99 99 LEU HB3 H 1 1.665 0.030 . 1 . . . . 99 LEU HB3 . 11283 1 1118 . 1 1 99 99 LEU HD11 H 1 0.933 0.030 . 1 . . . . 99 LEU HD1 . 11283 1 1119 . 1 1 99 99 LEU HD12 H 1 0.933 0.030 . 1 . . . . 99 LEU HD1 . 11283 1 1120 . 1 1 99 99 LEU HD13 H 1 0.933 0.030 . 1 . . . . 99 LEU HD1 . 11283 1 1121 . 1 1 99 99 LEU HD21 H 1 0.874 0.030 . 1 . . . . 99 LEU HD2 . 11283 1 1122 . 1 1 99 99 LEU HD22 H 1 0.874 0.030 . 1 . . . . 99 LEU HD2 . 11283 1 1123 . 1 1 99 99 LEU HD23 H 1 0.874 0.030 . 1 . . . . 99 LEU HD2 . 11283 1 1124 . 1 1 99 99 LEU HG H 1 1.649 0.030 . 1 . . . . 99 LEU HG . 11283 1 1125 . 1 1 99 99 LEU C C 13 176.365 0.300 . 1 . . . . 99 LEU C . 11283 1 1126 . 1 1 99 99 LEU CA C 13 55.276 0.300 . 1 . . . . 99 LEU CA . 11283 1 1127 . 1 1 99 99 LEU CB C 13 42.474 0.300 . 1 . . . . 99 LEU CB . 11283 1 1128 . 1 1 99 99 LEU CD1 C 13 25.234 0.300 . 2 . . . . 99 LEU CD1 . 11283 1 1129 . 1 1 99 99 LEU CD2 C 13 23.178 0.300 . 2 . . . . 99 LEU CD2 . 11283 1 1130 . 1 1 99 99 LEU CG C 13 27.289 0.300 . 1 . . . . 99 LEU CG . 11283 1 1131 . 1 1 99 99 LEU N N 15 124.692 0.300 . 1 . . . . 99 LEU N . 11283 1 1132 . 1 1 100 100 ASN H H 1 7.945 0.030 . 1 . . . . 100 ASN H . 11283 1 1133 . 1 1 100 100 ASN C C 13 179.502 0.300 . 1 . . . . 100 ASN C . 11283 1 1134 . 1 1 100 100 ASN CA C 13 54.758 0.300 . 1 . . . . 100 ASN CA . 11283 1 1135 . 1 1 100 100 ASN CB C 13 40.607 0.300 . 1 . . . . 100 ASN CB . 11283 1 1136 . 1 1 100 100 ASN N N 15 124.114 0.300 . 1 . . . . 100 ASN N . 11283 1 stop_ save_