data_11272 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11272 _Entry.Title ; Solution Structure of the Novel Identified Ubiquitin-like Domain in the Human COBL-like 1 Protein ; _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 . . . 11272 2 T. Kigawa . . . 11272 3 K. Saito . . . 11272 4 S. Koshiba . . . 11272 5 M. Inoue . . . 11272 6 S. Yokoyama . . . 11272 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)' . 11272 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11272 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 11272 '15N chemical shifts' 83 11272 '1H chemical shifts' 613 11272 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 . 11272 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAJ 'BMRB Entry Tracking System' 11272 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11272 _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 Novel Identified Ubiquitin-like Domain in the Human COBL-like 1 Protein ; _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 . . . 11272 1 2 T. Kigawa . . . 11272 1 3 K. Saito . . . 11272 1 4 S. Koshiba . . . 11272 1 5 M. Inoue . . . 11272 1 6 S. Yokoyama . . . 11272 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11272 _Assembly.ID 1 _Assembly.Name 'KIAA0977 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11272 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 2daj . . . . . . 11272 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11272 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEKTVRVVINFKKT QKTIVRVSPHASLQELAPII CSKCEFDPLHTLLLKDYQSQ EPLDLTKSLNDLGLRELYAM DVNRESGPSSG ; _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 91 _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 2DAJ . "Solution Structure Of The Novel Identified Ubiquitin-Like Domain In The Human Cobl-Like 1 Protein" . . . . . 100.00 91 100.00 100.00 1.73e-58 . . . . 11272 1 2 no DBJ BAA76821 . "KIAA0977 protein [Homo sapiens]" . . . . . 86.81 1166 100.00 100.00 2.88e-45 . . . . 11272 1 3 no DBJ BAG09927 . "cordon-bleu protein-like 1 [synthetic construct]" . . . . . 86.81 1166 100.00 100.00 2.88e-45 . . . . 11272 1 4 no DBJ BAH11931 . "unnamed protein product [Homo sapiens]" . . . . . 84.62 1233 100.00 100.00 4.26e-44 . . . . 11272 1 5 no EMBL CAH89676 . "hypothetical protein [Pongo abelii]" . . . . . 86.81 477 100.00 100.00 2.24e-46 . . . . 11272 1 6 no GB AAH71588 . "COBLL1 protein [Homo sapiens]" . . . . . 86.81 1128 100.00 100.00 2.44e-45 . . . . 11272 1 7 no GB AAX93068 . "unknown [Homo sapiens]" . . . . . 86.81 1166 100.00 100.00 2.88e-45 . . . . 11272 1 8 no GB EAX11339 . "COBL-like 1, isoform CRA_b [Homo sapiens]" . . . . . 86.81 1167 100.00 100.00 3.05e-45 . . . . 11272 1 9 no GB EAX11340 . "COBL-like 1, isoform CRA_c [Homo sapiens]" . . . . . 86.81 1166 100.00 100.00 2.88e-45 . . . . 11272 1 10 no GB EFB27997 . "hypothetical protein PANDA_017592, partial [Ailuropoda melanoleuca]" . . . . . 86.81 1151 97.47 98.73 1.19e-43 . . . . 11272 1 11 no REF NP_001265387 . "cordon-bleu protein-like 1 isoform 1 [Homo sapiens]" . . . . . 84.62 1233 100.00 100.00 4.13e-44 . . . . 11272 1 12 no REF NP_001265389 . "cordon-bleu protein-like 1 isoform 3 [Homo sapiens]" . . . . . 86.81 1174 100.00 100.00 2.80e-45 . . . . 11272 1 13 no REF NP_001265390 . "cordon-bleu protein-like 1 isoform 4 [Homo sapiens]" . . . . . 86.81 1128 100.00 100.00 2.44e-45 . . . . 11272 1 14 no REF NP_055715 . "cordon-bleu protein-like 1 isoform 2 [Homo sapiens]" . . . . . 86.81 1166 100.00 100.00 2.88e-45 . . . . 11272 1 15 no REF XP_001098489 . "PREDICTED: COBL-like 1 isoform 1 [Macaca mulatta]" . . . . . 84.62 1236 98.70 100.00 1.03e-43 . . . . 11272 1 16 no SP Q53SF7 . "RecName: Full=Cordon-bleu protein-like 1" . . . . . 86.81 1204 100.00 100.00 2.91e-45 . . . . 11272 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11272 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 . 11272 1 2 . SER . 11272 1 3 . SER . 11272 1 4 . GLY . 11272 1 5 . SER . 11272 1 6 . SER . 11272 1 7 . GLY . 11272 1 8 . GLU . 11272 1 9 . LYS . 11272 1 10 . THR . 11272 1 11 . VAL . 11272 1 12 . ARG . 11272 1 13 . VAL . 11272 1 14 . VAL . 11272 1 15 . ILE . 11272 1 16 . ASN . 11272 1 17 . PHE . 11272 1 18 . LYS . 11272 1 19 . LYS . 11272 1 20 . THR . 11272 1 21 . GLN . 11272 1 22 . LYS . 11272 1 23 . THR . 11272 1 24 . ILE . 11272 1 25 . VAL . 11272 1 26 . ARG . 11272 1 27 . VAL . 11272 1 28 . SER . 11272 1 29 . PRO . 11272 1 30 . HIS . 11272 1 31 . ALA . 11272 1 32 . SER . 11272 1 33 . LEU . 11272 1 34 . GLN . 11272 1 35 . GLU . 11272 1 36 . LEU . 11272 1 37 . ALA . 11272 1 38 . PRO . 11272 1 39 . ILE . 11272 1 40 . ILE . 11272 1 41 . CYS . 11272 1 42 . SER . 11272 1 43 . LYS . 11272 1 44 . CYS . 11272 1 45 . GLU . 11272 1 46 . PHE . 11272 1 47 . ASP . 11272 1 48 . PRO . 11272 1 49 . LEU . 11272 1 50 . HIS . 11272 1 51 . THR . 11272 1 52 . LEU . 11272 1 53 . LEU . 11272 1 54 . LEU . 11272 1 55 . LYS . 11272 1 56 . ASP . 11272 1 57 . TYR . 11272 1 58 . GLN . 11272 1 59 . SER . 11272 1 60 . GLN . 11272 1 61 . GLU . 11272 1 62 . PRO . 11272 1 63 . LEU . 11272 1 64 . ASP . 11272 1 65 . LEU . 11272 1 66 . THR . 11272 1 67 . LYS . 11272 1 68 . SER . 11272 1 69 . LEU . 11272 1 70 . ASN . 11272 1 71 . ASP . 11272 1 72 . LEU . 11272 1 73 . GLY . 11272 1 74 . LEU . 11272 1 75 . ARG . 11272 1 76 . GLU . 11272 1 77 . LEU . 11272 1 78 . TYR . 11272 1 79 . ALA . 11272 1 80 . MET . 11272 1 81 . ASP . 11272 1 82 . VAL . 11272 1 83 . ASN . 11272 1 84 . ARG . 11272 1 85 . GLU . 11272 1 86 . SER . 11272 1 87 . GLY . 11272 1 88 . PRO . 11272 1 89 . SER . 11272 1 90 . SER . 11272 1 91 . GLY . 11272 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 11272 1 . SER 2 2 11272 1 . SER 3 3 11272 1 . GLY 4 4 11272 1 . SER 5 5 11272 1 . SER 6 6 11272 1 . GLY 7 7 11272 1 . GLU 8 8 11272 1 . LYS 9 9 11272 1 . THR 10 10 11272 1 . VAL 11 11 11272 1 . ARG 12 12 11272 1 . VAL 13 13 11272 1 . VAL 14 14 11272 1 . ILE 15 15 11272 1 . ASN 16 16 11272 1 . PHE 17 17 11272 1 . LYS 18 18 11272 1 . LYS 19 19 11272 1 . THR 20 20 11272 1 . GLN 21 21 11272 1 . LYS 22 22 11272 1 . THR 23 23 11272 1 . ILE 24 24 11272 1 . VAL 25 25 11272 1 . ARG 26 26 11272 1 . VAL 27 27 11272 1 . SER 28 28 11272 1 . PRO 29 29 11272 1 . HIS 30 30 11272 1 . ALA 31 31 11272 1 . SER 32 32 11272 1 . LEU 33 33 11272 1 . GLN 34 34 11272 1 . GLU 35 35 11272 1 . LEU 36 36 11272 1 . ALA 37 37 11272 1 . PRO 38 38 11272 1 . ILE 39 39 11272 1 . ILE 40 40 11272 1 . CYS 41 41 11272 1 . SER 42 42 11272 1 . LYS 43 43 11272 1 . CYS 44 44 11272 1 . GLU 45 45 11272 1 . PHE 46 46 11272 1 . ASP 47 47 11272 1 . PRO 48 48 11272 1 . LEU 49 49 11272 1 . HIS 50 50 11272 1 . THR 51 51 11272 1 . LEU 52 52 11272 1 . LEU 53 53 11272 1 . LEU 54 54 11272 1 . LYS 55 55 11272 1 . ASP 56 56 11272 1 . TYR 57 57 11272 1 . GLN 58 58 11272 1 . SER 59 59 11272 1 . GLN 60 60 11272 1 . GLU 61 61 11272 1 . PRO 62 62 11272 1 . LEU 63 63 11272 1 . ASP 64 64 11272 1 . LEU 65 65 11272 1 . THR 66 66 11272 1 . LYS 67 67 11272 1 . SER 68 68 11272 1 . LEU 69 69 11272 1 . ASN 70 70 11272 1 . ASP 71 71 11272 1 . LEU 72 72 11272 1 . GLY 73 73 11272 1 . LEU 74 74 11272 1 . ARG 75 75 11272 1 . GLU 76 76 11272 1 . LEU 77 77 11272 1 . TYR 78 78 11272 1 . ALA 79 79 11272 1 . MET 80 80 11272 1 . ASP 81 81 11272 1 . VAL 82 82 11272 1 . ASN 83 83 11272 1 . ARG 84 84 11272 1 . GLU 85 85 11272 1 . SER 86 86 11272 1 . GLY 87 87 11272 1 . PRO 88 88 11272 1 . SER 89 89 11272 1 . SER 90 90 11272 1 . GLY 91 91 11272 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 11272 _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 . . . . . . . . . . . . . . . . . . . . . 11272 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 11272 _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 . . P050719-08 . . . . . . 11272 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11272 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11272 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11272 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11272 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11272 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11272 1 6 H2O . . . . . . solvent 90 . . % . . . . 11272 1 7 D2O . . . . . . solvent 10 . . % . . . . 11272 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 11272 _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 11272 1 pH 7.0 0.05 pH 11272 1 pressure 1 0.001 atm 11272 1 temperature 298.0 0.1 K 11272 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11272 _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 . . 11272 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11272 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11272 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11272 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11272 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11272 _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.' . . 11272 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11272 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11272 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11272 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11272 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11272 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11272 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11272 5 'structure solution' 11272 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 11272 _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 11272 _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 . . . 11272 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 11272 _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 . . . . . . . . . . . . . . . . 11272 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11272 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 11272 _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 . . . . . . . . . 11272 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11272 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11272 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 11272 _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 11272 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11272 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 . . 11272 1 2 $NMRPipe . . 11272 1 3 $NMRView . . 11272 1 4 $Kujira . . 11272 1 5 $CYANA . . 11272 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.998 0.030 . 1 . . . . 7 GLY HA2 . 11272 1 2 . 1 1 7 7 GLY HA3 H 1 3.998 0.030 . 1 . . . . 7 GLY HA3 . 11272 1 3 . 1 1 7 7 GLY C C 13 174.192 0.300 . 1 . . . . 7 GLY C . 11272 1 4 . 1 1 7 7 GLY CA C 13 45.237 0.300 . 1 . . . . 7 GLY CA . 11272 1 5 . 1 1 8 8 GLU H H 1 8.258 0.030 . 1 . . . . 8 GLU H . 11272 1 6 . 1 1 8 8 GLU HA H 1 4.340 0.030 . 1 . . . . 8 GLU HA . 11272 1 7 . 1 1 8 8 GLU HB2 H 1 1.962 0.030 . 2 . . . . 8 GLU HB2 . 11272 1 8 . 1 1 8 8 GLU HB3 H 1 2.112 0.030 . 2 . . . . 8 GLU HB3 . 11272 1 9 . 1 1 8 8 GLU HG2 H 1 2.292 0.030 . 1 . . . . 8 GLU HG2 . 11272 1 10 . 1 1 8 8 GLU HG3 H 1 2.292 0.030 . 1 . . . . 8 GLU HG3 . 11272 1 11 . 1 1 8 8 GLU C C 13 176.712 0.300 . 1 . . . . 8 GLU C . 11272 1 12 . 1 1 8 8 GLU CA C 13 56.561 0.300 . 1 . . . . 8 GLU CA . 11272 1 13 . 1 1 8 8 GLU CB C 13 30.418 0.300 . 1 . . . . 8 GLU CB . 11272 1 14 . 1 1 8 8 GLU CG C 13 35.567 0.300 . 1 . . . . 8 GLU CG . 11272 1 15 . 1 1 8 8 GLU N N 15 120.694 0.300 . 1 . . . . 8 GLU N . 11272 1 16 . 1 1 9 9 LYS HA H 1 4.411 0.030 . 1 . . . . 9 LYS HA . 11272 1 17 . 1 1 9 9 LYS HB2 H 1 1.874 0.030 . 2 . . . . 9 LYS HB2 . 11272 1 18 . 1 1 9 9 LYS HB3 H 1 1.962 0.030 . 2 . . . . 9 LYS HB3 . 11272 1 19 . 1 1 9 9 LYS HD2 H 1 1.731 0.030 . 1 . . . . 9 LYS HD2 . 11272 1 20 . 1 1 9 9 LYS HD3 H 1 1.731 0.030 . 1 . . . . 9 LYS HD3 . 11272 1 21 . 1 1 9 9 LYS HE2 H 1 3.053 0.030 . 1 . . . . 9 LYS HE2 . 11272 1 22 . 1 1 9 9 LYS HE3 H 1 3.053 0.030 . 1 . . . . 9 LYS HE3 . 11272 1 23 . 1 1 9 9 LYS HG2 H 1 1.485 0.030 . 2 . . . . 9 LYS HG2 . 11272 1 24 . 1 1 9 9 LYS HG3 H 1 1.555 0.030 . 2 . . . . 9 LYS HG3 . 11272 1 25 . 1 1 9 9 LYS C C 13 176.905 0.300 . 1 . . . . 9 LYS C . 11272 1 26 . 1 1 9 9 LYS CA C 13 56.944 0.300 . 1 . . . . 9 LYS CA . 11272 1 27 . 1 1 9 9 LYS CB C 13 33.062 0.300 . 1 . . . . 9 LYS CB . 11272 1 28 . 1 1 9 9 LYS CD C 13 29.091 0.300 . 1 . . . . 9 LYS CD . 11272 1 29 . 1 1 9 9 LYS CE C 13 42.335 0.300 . 1 . . . . 9 LYS CE . 11272 1 30 . 1 1 9 9 LYS CG C 13 25.154 0.300 . 1 . . . . 9 LYS CG . 11272 1 31 . 1 1 10 10 THR H H 1 7.782 0.030 . 1 . . . . 10 THR H . 11272 1 32 . 1 1 10 10 THR HA H 1 4.565 0.030 . 1 . . . . 10 THR HA . 11272 1 33 . 1 1 10 10 THR HB H 1 3.859 0.030 . 1 . . . . 10 THR HB . 11272 1 34 . 1 1 10 10 THR HG21 H 1 1.036 0.030 . 1 . . . . 10 THR HG2 . 11272 1 35 . 1 1 10 10 THR HG22 H 1 1.036 0.030 . 1 . . . . 10 THR HG2 . 11272 1 36 . 1 1 10 10 THR HG23 H 1 1.036 0.030 . 1 . . . . 10 THR HG2 . 11272 1 37 . 1 1 10 10 THR C C 13 173.635 0.300 . 1 . . . . 10 THR C . 11272 1 38 . 1 1 10 10 THR CA C 13 59.871 0.300 . 1 . . . . 10 THR CA . 11272 1 39 . 1 1 10 10 THR CB C 13 72.589 0.300 . 1 . . . . 10 THR CB . 11272 1 40 . 1 1 10 10 THR CG2 C 13 21.945 0.300 . 1 . . . . 10 THR CG2 . 11272 1 41 . 1 1 10 10 THR N N 15 109.200 0.300 . 1 . . . . 10 THR N . 11272 1 42 . 1 1 11 11 VAL H H 1 8.933 0.030 . 1 . . . . 11 VAL H . 11272 1 43 . 1 1 11 11 VAL HA H 1 4.732 0.030 . 1 . . . . 11 VAL HA . 11272 1 44 . 1 1 11 11 VAL HB H 1 2.159 0.030 . 1 . . . . 11 VAL HB . 11272 1 45 . 1 1 11 11 VAL HG11 H 1 0.841 0.030 . 1 . . . . 11 VAL HG1 . 11272 1 46 . 1 1 11 11 VAL HG12 H 1 0.841 0.030 . 1 . . . . 11 VAL HG1 . 11272 1 47 . 1 1 11 11 VAL HG13 H 1 0.841 0.030 . 1 . . . . 11 VAL HG1 . 11272 1 48 . 1 1 11 11 VAL HG21 H 1 0.627 0.030 . 1 . . . . 11 VAL HG2 . 11272 1 49 . 1 1 11 11 VAL HG22 H 1 0.627 0.030 . 1 . . . . 11 VAL HG2 . 11272 1 50 . 1 1 11 11 VAL HG23 H 1 0.627 0.030 . 1 . . . . 11 VAL HG2 . 11272 1 51 . 1 1 11 11 VAL C C 13 174.192 0.300 . 1 . . . . 11 VAL C . 11272 1 52 . 1 1 11 11 VAL CA C 13 58.746 0.300 . 1 . . . . 11 VAL CA . 11272 1 53 . 1 1 11 11 VAL CB C 13 35.333 0.300 . 1 . . . . 11 VAL CB . 11272 1 54 . 1 1 11 11 VAL CG1 C 13 22.040 0.300 . 2 . . . . 11 VAL CG1 . 11272 1 55 . 1 1 11 11 VAL CG2 C 13 18.327 0.300 . 2 . . . . 11 VAL CG2 . 11272 1 56 . 1 1 11 11 VAL N N 15 112.835 0.300 . 1 . . . . 11 VAL N . 11272 1 57 . 1 1 12 12 ARG H H 1 8.335 0.030 . 1 . . . . 12 ARG H . 11272 1 58 . 1 1 12 12 ARG HA H 1 4.522 0.030 . 1 . . . . 12 ARG HA . 11272 1 59 . 1 1 12 12 ARG HB2 H 1 1.704 0.030 . 1 . . . . 12 ARG HB2 . 11272 1 60 . 1 1 12 12 ARG HB3 H 1 1.704 0.030 . 1 . . . . 12 ARG HB3 . 11272 1 61 . 1 1 12 12 ARG HD2 H 1 3.188 0.030 . 2 . . . . 12 ARG HD2 . 11272 1 62 . 1 1 12 12 ARG HD3 H 1 3.212 0.030 . 2 . . . . 12 ARG HD3 . 11272 1 63 . 1 1 12 12 ARG HG2 H 1 1.610 0.030 . 2 . . . . 12 ARG HG2 . 11272 1 64 . 1 1 12 12 ARG HG3 H 1 1.359 0.030 . 2 . . . . 12 ARG HG3 . 11272 1 65 . 1 1 12 12 ARG C C 13 175.815 0.300 . 1 . . . . 12 ARG C . 11272 1 66 . 1 1 12 12 ARG CA C 13 56.388 0.300 . 1 . . . . 12 ARG CA . 11272 1 67 . 1 1 12 12 ARG CB C 13 31.277 0.300 . 1 . . . . 12 ARG CB . 11272 1 68 . 1 1 12 12 ARG CD C 13 43.879 0.300 . 1 . . . . 12 ARG CD . 11272 1 69 . 1 1 12 12 ARG CG C 13 28.162 0.300 . 1 . . . . 12 ARG CG . 11272 1 70 . 1 1 12 12 ARG N N 15 121.454 0.300 . 1 . . . . 12 ARG N . 11272 1 71 . 1 1 13 13 VAL H H 1 9.090 0.030 . 1 . . . . 13 VAL H . 11272 1 72 . 1 1 13 13 VAL HA H 1 4.535 0.030 . 1 . . . . 13 VAL HA . 11272 1 73 . 1 1 13 13 VAL HB H 1 1.721 0.030 . 1 . . . . 13 VAL HB . 11272 1 74 . 1 1 13 13 VAL HG11 H 1 0.557 0.030 . 1 . . . . 13 VAL HG1 . 11272 1 75 . 1 1 13 13 VAL HG12 H 1 0.557 0.030 . 1 . . . . 13 VAL HG1 . 11272 1 76 . 1 1 13 13 VAL HG13 H 1 0.557 0.030 . 1 . . . . 13 VAL HG1 . 11272 1 77 . 1 1 13 13 VAL HG21 H 1 0.699 0.030 . 1 . . . . 13 VAL HG2 . 11272 1 78 . 1 1 13 13 VAL HG22 H 1 0.699 0.030 . 1 . . . . 13 VAL HG2 . 11272 1 79 . 1 1 13 13 VAL HG23 H 1 0.699 0.030 . 1 . . . . 13 VAL HG2 . 11272 1 80 . 1 1 13 13 VAL C C 13 174.217 0.300 . 1 . . . . 13 VAL C . 11272 1 81 . 1 1 13 13 VAL CA C 13 60.364 0.300 . 1 . . . . 13 VAL CA . 11272 1 82 . 1 1 13 13 VAL CB C 13 35.050 0.300 . 1 . . . . 13 VAL CB . 11272 1 83 . 1 1 13 13 VAL CG1 C 13 20.713 0.300 . 2 . . . . 13 VAL CG1 . 11272 1 84 . 1 1 13 13 VAL CG2 C 13 23.672 0.300 . 2 . . . . 13 VAL CG2 . 11272 1 85 . 1 1 13 13 VAL N N 15 126.630 0.300 . 1 . . . . 13 VAL N . 11272 1 86 . 1 1 14 14 VAL H H 1 7.947 0.030 . 1 . . . . 14 VAL H . 11272 1 87 . 1 1 14 14 VAL HA H 1 4.266 0.030 . 1 . . . . 14 VAL HA . 11272 1 88 . 1 1 14 14 VAL HB H 1 2.036 0.030 . 1 . . . . 14 VAL HB . 11272 1 89 . 1 1 14 14 VAL HG11 H 1 0.933 0.030 . 1 . . . . 14 VAL HG1 . 11272 1 90 . 1 1 14 14 VAL HG12 H 1 0.933 0.030 . 1 . . . . 14 VAL HG1 . 11272 1 91 . 1 1 14 14 VAL HG13 H 1 0.933 0.030 . 1 . . . . 14 VAL HG1 . 11272 1 92 . 1 1 14 14 VAL HG21 H 1 1.036 0.030 . 1 . . . . 14 VAL HG2 . 11272 1 93 . 1 1 14 14 VAL HG22 H 1 1.036 0.030 . 1 . . . . 14 VAL HG2 . 11272 1 94 . 1 1 14 14 VAL HG23 H 1 1.036 0.030 . 1 . . . . 14 VAL HG2 . 11272 1 95 . 1 1 14 14 VAL C C 13 174.217 0.300 . 1 . . . . 14 VAL C . 11272 1 96 . 1 1 14 14 VAL CA C 13 62.414 0.300 . 1 . . . . 14 VAL CA . 11272 1 97 . 1 1 14 14 VAL CB C 13 33.254 0.300 . 1 . . . . 14 VAL CB . 11272 1 98 . 1 1 14 14 VAL CG1 C 13 21.534 0.300 . 2 . . . . 14 VAL CG1 . 11272 1 99 . 1 1 14 14 VAL CG2 C 13 21.505 0.300 . 2 . . . . 14 VAL CG2 . 11272 1 100 . 1 1 14 14 VAL N N 15 126.775 0.300 . 1 . . . . 14 VAL N . 11272 1 101 . 1 1 15 15 ILE H H 1 9.024 0.030 . 1 . . . . 15 ILE H . 11272 1 102 . 1 1 15 15 ILE HA H 1 4.467 0.030 . 1 . . . . 15 ILE HA . 11272 1 103 . 1 1 15 15 ILE HB H 1 2.019 0.030 . 1 . . . . 15 ILE HB . 11272 1 104 . 1 1 15 15 ILE HD11 H 1 0.566 0.030 . 1 . . . . 15 ILE HD1 . 11272 1 105 . 1 1 15 15 ILE HD12 H 1 0.566 0.030 . 1 . . . . 15 ILE HD1 . 11272 1 106 . 1 1 15 15 ILE HD13 H 1 0.566 0.030 . 1 . . . . 15 ILE HD1 . 11272 1 107 . 1 1 15 15 ILE HG12 H 1 1.375 0.030 . 2 . . . . 15 ILE HG12 . 11272 1 108 . 1 1 15 15 ILE HG13 H 1 1.111 0.030 . 2 . . . . 15 ILE HG13 . 11272 1 109 . 1 1 15 15 ILE HG21 H 1 0.602 0.030 . 1 . . . . 15 ILE HG2 . 11272 1 110 . 1 1 15 15 ILE HG22 H 1 0.602 0.030 . 1 . . . . 15 ILE HG2 . 11272 1 111 . 1 1 15 15 ILE HG23 H 1 0.602 0.030 . 1 . . . . 15 ILE HG2 . 11272 1 112 . 1 1 15 15 ILE C C 13 175.355 0.300 . 1 . . . . 15 ILE C . 11272 1 113 . 1 1 15 15 ILE CA C 13 58.183 0.300 . 1 . . . . 15 ILE CA . 11272 1 114 . 1 1 15 15 ILE CB C 13 36.530 0.300 . 1 . . . . 15 ILE CB . 11272 1 115 . 1 1 15 15 ILE CD1 C 13 11.996 0.300 . 1 . . . . 15 ILE CD1 . 11272 1 116 . 1 1 15 15 ILE CG1 C 13 26.339 0.300 . 1 . . . . 15 ILE CG1 . 11272 1 117 . 1 1 15 15 ILE CG2 C 13 17.834 0.300 . 1 . . . . 15 ILE CG2 . 11272 1 118 . 1 1 15 15 ILE N N 15 127.207 0.300 . 1 . . . . 15 ILE N . 11272 1 119 . 1 1 16 16 ASN H H 1 9.172 0.030 . 1 . . . . 16 ASN H . 11272 1 120 . 1 1 16 16 ASN HA H 1 5.662 0.030 . 1 . . . . 16 ASN HA . 11272 1 121 . 1 1 16 16 ASN HB2 H 1 2.909 0.030 . 1 . . . . 16 ASN HB2 . 11272 1 122 . 1 1 16 16 ASN HB3 H 1 2.909 0.030 . 1 . . . . 16 ASN HB3 . 11272 1 123 . 1 1 16 16 ASN HD21 H 1 7.966 0.030 . 2 . . . . 16 ASN HD21 . 11272 1 124 . 1 1 16 16 ASN HD22 H 1 7.009 0.030 . 2 . . . . 16 ASN HD22 . 11272 1 125 . 1 1 16 16 ASN C C 13 173.272 0.300 . 1 . . . . 16 ASN C . 11272 1 126 . 1 1 16 16 ASN CA C 13 52.484 0.300 . 1 . . . . 16 ASN CA . 11272 1 127 . 1 1 16 16 ASN CB C 13 42.532 0.300 . 1 . . . . 16 ASN CB . 11272 1 128 . 1 1 16 16 ASN N N 15 126.262 0.300 . 1 . . . . 16 ASN N . 11272 1 129 . 1 1 16 16 ASN ND2 N 15 117.344 0.300 . 1 . . . . 16 ASN ND2 . 11272 1 130 . 1 1 17 17 PHE H H 1 8.552 0.030 . 1 . . . . 17 PHE H . 11272 1 131 . 1 1 17 17 PHE HA H 1 4.218 0.030 . 1 . . . . 17 PHE HA . 11272 1 132 . 1 1 17 17 PHE HB2 H 1 2.902 0.030 . 2 . . . . 17 PHE HB2 . 11272 1 133 . 1 1 17 17 PHE HB3 H 1 3.323 0.030 . 2 . . . . 17 PHE HB3 . 11272 1 134 . 1 1 17 17 PHE HD1 H 1 6.987 0.030 . 1 . . . . 17 PHE HD1 . 11272 1 135 . 1 1 17 17 PHE HD2 H 1 6.987 0.030 . 1 . . . . 17 PHE HD2 . 11272 1 136 . 1 1 17 17 PHE HE1 H 1 7.073 0.030 . 1 . . . . 17 PHE HE1 . 11272 1 137 . 1 1 17 17 PHE HE2 H 1 7.073 0.030 . 1 . . . . 17 PHE HE2 . 11272 1 138 . 1 1 17 17 PHE HZ H 1 7.192 0.030 . 1 . . . . 17 PHE HZ . 11272 1 139 . 1 1 17 17 PHE C C 13 172.012 0.300 . 1 . . . . 17 PHE C . 11272 1 140 . 1 1 17 17 PHE CA C 13 56.318 0.300 . 1 . . . . 17 PHE CA . 11272 1 141 . 1 1 17 17 PHE CB C 13 39.399 0.300 . 1 . . . . 17 PHE CB . 11272 1 142 . 1 1 17 17 PHE CD1 C 13 132.280 0.300 . 1 . . . . 17 PHE CD1 . 11272 1 143 . 1 1 17 17 PHE CD2 C 13 132.280 0.300 . 1 . . . . 17 PHE CD2 . 11272 1 144 . 1 1 17 17 PHE CE1 C 13 130.915 0.300 . 1 . . . . 17 PHE CE1 . 11272 1 145 . 1 1 17 17 PHE CE2 C 13 130.915 0.300 . 1 . . . . 17 PHE CE2 . 11272 1 146 . 1 1 17 17 PHE CZ C 13 129.823 0.300 . 1 . . . . 17 PHE CZ . 11272 1 147 . 1 1 17 17 PHE N N 15 117.151 0.300 . 1 . . . . 17 PHE N . 11272 1 148 . 1 1 18 18 LYS H H 1 10.400 0.030 . 1 . . . . 18 LYS H . 11272 1 149 . 1 1 18 18 LYS HA H 1 3.933 0.030 . 1 . . . . 18 LYS HA . 11272 1 150 . 1 1 18 18 LYS HB2 H 1 1.400 0.030 . 2 . . . . 18 LYS HB2 . 11272 1 151 . 1 1 18 18 LYS HB3 H 1 2.026 0.030 . 2 . . . . 18 LYS HB3 . 11272 1 152 . 1 1 18 18 LYS HD2 H 1 1.807 0.030 . 2 . . . . 18 LYS HD2 . 11272 1 153 . 1 1 18 18 LYS HD3 H 1 1.842 0.030 . 2 . . . . 18 LYS HD3 . 11272 1 154 . 1 1 18 18 LYS HE2 H 1 3.190 0.030 . 1 . . . . 18 LYS HE2 . 11272 1 155 . 1 1 18 18 LYS HE3 H 1 3.190 0.030 . 1 . . . . 18 LYS HE3 . 11272 1 156 . 1 1 18 18 LYS HG2 H 1 1.668 0.030 . 2 . . . . 18 LYS HG2 . 11272 1 157 . 1 1 18 18 LYS HG3 H 1 1.788 0.030 . 2 . . . . 18 LYS HG3 . 11272 1 158 . 1 1 18 18 LYS C C 13 177.778 0.300 . 1 . . . . 18 LYS C . 11272 1 159 . 1 1 18 18 LYS CA C 13 57.374 0.300 . 1 . . . . 18 LYS CA . 11272 1 160 . 1 1 18 18 LYS CB C 13 30.988 0.300 . 1 . . . . 18 LYS CB . 11272 1 161 . 1 1 18 18 LYS CD C 13 29.781 0.300 . 1 . . . . 18 LYS CD . 11272 1 162 . 1 1 18 18 LYS CE C 13 42.736 0.300 . 1 . . . . 18 LYS CE . 11272 1 163 . 1 1 18 18 LYS CG C 13 26.796 0.300 . 1 . . . . 18 LYS CG . 11272 1 164 . 1 1 18 18 LYS N N 15 118.886 0.300 . 1 . . . . 18 LYS N . 11272 1 165 . 1 1 19 19 LYS H H 1 8.864 0.030 . 1 . . . . 19 LYS H . 11272 1 166 . 1 1 19 19 LYS HA H 1 3.378 0.030 . 1 . . . . 19 LYS HA . 11272 1 167 . 1 1 19 19 LYS HB2 H 1 1.799 0.030 . 2 . . . . 19 LYS HB2 . 11272 1 168 . 1 1 19 19 LYS HB3 H 1 2.351 0.030 . 2 . . . . 19 LYS HB3 . 11272 1 169 . 1 1 19 19 LYS HD2 H 1 1.537 0.030 . 2 . . . . 19 LYS HD2 . 11272 1 170 . 1 1 19 19 LYS HD3 H 1 1.582 0.030 . 2 . . . . 19 LYS HD3 . 11272 1 171 . 1 1 19 19 LYS HE2 H 1 2.930 0.030 . 1 . . . . 19 LYS HE2 . 11272 1 172 . 1 1 19 19 LYS HE3 H 1 2.930 0.030 . 1 . . . . 19 LYS HE3 . 11272 1 173 . 1 1 19 19 LYS HG2 H 1 1.092 0.030 . 2 . . . . 19 LYS HG2 . 11272 1 174 . 1 1 19 19 LYS HG3 H 1 1.210 0.030 . 2 . . . . 19 LYS HG3 . 11272 1 175 . 1 1 19 19 LYS C C 13 178.335 0.300 . 1 . . . . 19 LYS C . 11272 1 176 . 1 1 19 19 LYS CA C 13 62.553 0.300 . 1 . . . . 19 LYS CA . 11272 1 177 . 1 1 19 19 LYS CB C 13 32.332 0.300 . 1 . . . . 19 LYS CB . 11272 1 178 . 1 1 19 19 LYS CD C 13 29.180 0.300 . 1 . . . . 19 LYS CD . 11272 1 179 . 1 1 19 19 LYS CE C 13 42.171 0.300 . 1 . . . . 19 LYS CE . 11272 1 180 . 1 1 19 19 LYS CG C 13 25.584 0.300 . 1 . . . . 19 LYS CG . 11272 1 181 . 1 1 19 19 LYS N N 15 111.838 0.300 . 1 . . . . 19 LYS N . 11272 1 182 . 1 1 20 20 THR H H 1 9.060 0.030 . 1 . . . . 20 THR H . 11272 1 183 . 1 1 20 20 THR HA H 1 4.490 0.030 . 1 . . . . 20 THR HA . 11272 1 184 . 1 1 20 20 THR HB H 1 4.539 0.030 . 1 . . . . 20 THR HB . 11272 1 185 . 1 1 20 20 THR HG21 H 1 1.119 0.030 . 1 . . . . 20 THR HG2 . 11272 1 186 . 1 1 20 20 THR HG22 H 1 1.119 0.030 . 1 . . . . 20 THR HG2 . 11272 1 187 . 1 1 20 20 THR HG23 H 1 1.119 0.030 . 1 . . . . 20 THR HG2 . 11272 1 188 . 1 1 20 20 THR C C 13 175.258 0.300 . 1 . . . . 20 THR C . 11272 1 189 . 1 1 20 20 THR CA C 13 61.076 0.300 . 1 . . . . 20 THR CA . 11272 1 190 . 1 1 20 20 THR CB C 13 70.459 0.300 . 1 . . . . 20 THR CB . 11272 1 191 . 1 1 20 20 THR CG2 C 13 21.738 0.300 . 1 . . . . 20 THR CG2 . 11272 1 192 . 1 1 20 20 THR N N 15 110.388 0.300 . 1 . . . . 20 THR N . 11272 1 193 . 1 1 21 21 GLN H H 1 8.146 0.030 . 1 . . . . 21 GLN H . 11272 1 194 . 1 1 21 21 GLN HA H 1 4.415 0.030 . 1 . . . . 21 GLN HA . 11272 1 195 . 1 1 21 21 GLN HB2 H 1 0.674 0.030 . 2 . . . . 21 GLN HB2 . 11272 1 196 . 1 1 21 21 GLN HB3 H 1 1.348 0.030 . 2 . . . . 21 GLN HB3 . 11272 1 197 . 1 1 21 21 GLN HE21 H 1 7.292 0.030 . 2 . . . . 21 GLN HE21 . 11272 1 198 . 1 1 21 21 GLN HE22 H 1 6.892 0.030 . 2 . . . . 21 GLN HE22 . 11272 1 199 . 1 1 21 21 GLN HG2 H 1 2.105 0.030 . 1 . . . . 21 GLN HG2 . 11272 1 200 . 1 1 21 21 GLN HG3 H 1 2.105 0.030 . 1 . . . . 21 GLN HG3 . 11272 1 201 . 1 1 21 21 GLN C C 13 175.476 0.300 . 1 . . . . 21 GLN C . 11272 1 202 . 1 1 21 21 GLN CA C 13 55.337 0.300 . 1 . . . . 21 GLN CA . 11272 1 203 . 1 1 21 21 GLN CB C 13 29.008 0.300 . 1 . . . . 21 GLN CB . 11272 1 204 . 1 1 21 21 GLN CG C 13 34.571 0.300 . 1 . . . . 21 GLN CG . 11272 1 205 . 1 1 21 21 GLN N N 15 121.230 0.300 . 1 . . . . 21 GLN N . 11272 1 206 . 1 1 21 21 GLN NE2 N 15 112.710 0.300 . 1 . . . . 21 GLN NE2 . 11272 1 207 . 1 1 22 22 LYS H H 1 8.332 0.030 . 1 . . . . 22 LYS H . 11272 1 208 . 1 1 22 22 LYS HA H 1 5.736 0.030 . 1 . . . . 22 LYS HA . 11272 1 209 . 1 1 22 22 LYS HB2 H 1 1.836 0.030 . 2 . . . . 22 LYS HB2 . 11272 1 210 . 1 1 22 22 LYS HB3 H 1 1.585 0.030 . 2 . . . . 22 LYS HB3 . 11272 1 211 . 1 1 22 22 LYS HD2 H 1 1.585 0.030 . 2 . . . . 22 LYS HD2 . 11272 1 212 . 1 1 22 22 LYS HD3 H 1 1.639 0.030 . 2 . . . . 22 LYS HD3 . 11272 1 213 . 1 1 22 22 LYS HE2 H 1 2.998 0.030 . 1 . . . . 22 LYS HE2 . 11272 1 214 . 1 1 22 22 LYS HE3 H 1 2.998 0.030 . 1 . . . . 22 LYS HE3 . 11272 1 215 . 1 1 22 22 LYS HG2 H 1 1.290 0.030 . 2 . . . . 22 LYS HG2 . 11272 1 216 . 1 1 22 22 LYS HG3 H 1 1.469 0.030 . 2 . . . . 22 LYS HG3 . 11272 1 217 . 1 1 22 22 LYS C C 13 176.058 0.300 . 1 . . . . 22 LYS C . 11272 1 218 . 1 1 22 22 LYS CA C 13 55.668 0.300 . 1 . . . . 22 LYS CA . 11272 1 219 . 1 1 22 22 LYS CB C 13 36.565 0.300 . 1 . . . . 22 LYS CB . 11272 1 220 . 1 1 22 22 LYS CD C 13 29.693 0.300 . 1 . . . . 22 LYS CD . 11272 1 221 . 1 1 22 22 LYS CE C 13 42.335 0.300 . 1 . . . . 22 LYS CE . 11272 1 222 . 1 1 22 22 LYS CG C 13 24.234 0.300 . 1 . . . . 22 LYS CG . 11272 1 223 . 1 1 22 22 LYS N N 15 118.363 0.300 . 1 . . . . 22 LYS N . 11272 1 224 . 1 1 23 23 THR H H 1 9.073 0.030 . 1 . . . . 23 THR H . 11272 1 225 . 1 1 23 23 THR HA H 1 4.713 0.030 . 1 . . . . 23 THR HA . 11272 1 226 . 1 1 23 23 THR HB H 1 4.174 0.030 . 1 . . . . 23 THR HB . 11272 1 227 . 1 1 23 23 THR HG21 H 1 0.929 0.030 . 1 . . . . 23 THR HG2 . 11272 1 228 . 1 1 23 23 THR HG22 H 1 0.929 0.030 . 1 . . . . 23 THR HG2 . 11272 1 229 . 1 1 23 23 THR HG23 H 1 0.929 0.030 . 1 . . . . 23 THR HG2 . 11272 1 230 . 1 1 23 23 THR C C 13 171.213 0.300 . 1 . . . . 23 THR C . 11272 1 231 . 1 1 23 23 THR CA C 13 60.606 0.300 . 1 . . . . 23 THR CA . 11272 1 232 . 1 1 23 23 THR CB C 13 70.283 0.300 . 1 . . . . 23 THR CB . 11272 1 233 . 1 1 23 23 THR CG2 C 13 20.423 0.300 . 1 . . . . 23 THR CG2 . 11272 1 234 . 1 1 23 23 THR N N 15 118.252 0.300 . 1 . . . . 23 THR N . 11272 1 235 . 1 1 24 24 ILE H H 1 8.074 0.030 . 1 . . . . 24 ILE H . 11272 1 236 . 1 1 24 24 ILE HA H 1 5.175 0.030 . 1 . . . . 24 ILE HA . 11272 1 237 . 1 1 24 24 ILE HB H 1 1.757 0.030 . 1 . . . . 24 ILE HB . 11272 1 238 . 1 1 24 24 ILE HD11 H 1 0.829 0.030 . 1 . . . . 24 ILE HD1 . 11272 1 239 . 1 1 24 24 ILE HD12 H 1 0.829 0.030 . 1 . . . . 24 ILE HD1 . 11272 1 240 . 1 1 24 24 ILE HD13 H 1 0.829 0.030 . 1 . . . . 24 ILE HD1 . 11272 1 241 . 1 1 24 24 ILE HG12 H 1 1.218 0.030 . 2 . . . . 24 ILE HG12 . 11272 1 242 . 1 1 24 24 ILE HG13 H 1 1.498 0.030 . 2 . . . . 24 ILE HG13 . 11272 1 243 . 1 1 24 24 ILE HG21 H 1 0.799 0.030 . 1 . . . . 24 ILE HG2 . 11272 1 244 . 1 1 24 24 ILE HG22 H 1 0.799 0.030 . 1 . . . . 24 ILE HG2 . 11272 1 245 . 1 1 24 24 ILE HG23 H 1 0.799 0.030 . 1 . . . . 24 ILE HG2 . 11272 1 246 . 1 1 24 24 ILE C C 13 176.251 0.300 . 1 . . . . 24 ILE C . 11272 1 247 . 1 1 24 24 ILE CA C 13 59.551 0.300 . 1 . . . . 24 ILE CA . 11272 1 248 . 1 1 24 24 ILE CB C 13 40.148 0.300 . 1 . . . . 24 ILE CB . 11272 1 249 . 1 1 24 24 ILE CD1 C 13 13.119 0.300 . 1 . . . . 24 ILE CD1 . 11272 1 250 . 1 1 24 24 ILE CG1 C 13 28.166 0.300 . 1 . . . . 24 ILE CG1 . 11272 1 251 . 1 1 24 24 ILE CG2 C 13 18.327 0.300 . 1 . . . . 24 ILE CG2 . 11272 1 252 . 1 1 24 24 ILE N N 15 124.058 0.300 . 1 . . . . 24 ILE N . 11272 1 253 . 1 1 25 25 VAL H H 1 8.813 0.030 . 1 . . . . 25 VAL H . 11272 1 254 . 1 1 25 25 VAL HA H 1 4.688 0.030 . 1 . . . . 25 VAL HA . 11272 1 255 . 1 1 25 25 VAL HB H 1 1.927 0.030 . 1 . . . . 25 VAL HB . 11272 1 256 . 1 1 25 25 VAL HG11 H 1 0.770 0.030 . 1 . . . . 25 VAL HG1 . 11272 1 257 . 1 1 25 25 VAL HG12 H 1 0.770 0.030 . 1 . . . . 25 VAL HG1 . 11272 1 258 . 1 1 25 25 VAL HG13 H 1 0.770 0.030 . 1 . . . . 25 VAL HG1 . 11272 1 259 . 1 1 25 25 VAL HG21 H 1 0.733 0.030 . 1 . . . . 25 VAL HG2 . 11272 1 260 . 1 1 25 25 VAL HG22 H 1 0.733 0.030 . 1 . . . . 25 VAL HG2 . 11272 1 261 . 1 1 25 25 VAL HG23 H 1 0.733 0.030 . 1 . . . . 25 VAL HG2 . 11272 1 262 . 1 1 25 25 VAL C C 13 173.272 0.300 . 1 . . . . 25 VAL C . 11272 1 263 . 1 1 25 25 VAL CA C 13 59.027 0.300 . 1 . . . . 25 VAL CA . 11272 1 264 . 1 1 25 25 VAL CB C 13 35.132 0.300 . 1 . . . . 25 VAL CB . 11272 1 265 . 1 1 25 25 VAL CG1 C 13 22.046 0.300 . 2 . . . . 25 VAL CG1 . 11272 1 266 . 1 1 25 25 VAL CG2 C 13 20.136 0.300 . 2 . . . . 25 VAL CG2 . 11272 1 267 . 1 1 25 25 VAL N N 15 120.120 0.300 . 1 . . . . 25 VAL N . 11272 1 268 . 1 1 26 26 ARG H H 1 8.333 0.030 . 1 . . . . 26 ARG H . 11272 1 269 . 1 1 26 26 ARG HA H 1 5.389 0.030 . 1 . . . . 26 ARG HA . 11272 1 270 . 1 1 26 26 ARG HB2 H 1 1.546 0.030 . 2 . . . . 26 ARG HB2 . 11272 1 271 . 1 1 26 26 ARG HB3 H 1 1.651 0.030 . 2 . . . . 26 ARG HB3 . 11272 1 272 . 1 1 26 26 ARG HD2 H 1 3.104 0.030 . 2 . . . . 26 ARG HD2 . 11272 1 273 . 1 1 26 26 ARG HD3 H 1 3.141 0.030 . 2 . . . . 26 ARG HD3 . 11272 1 274 . 1 1 26 26 ARG HG2 H 1 1.534 0.030 . 2 . . . . 26 ARG HG2 . 11272 1 275 . 1 1 26 26 ARG HG3 H 1 1.259 0.030 . 2 . . . . 26 ARG HG3 . 11272 1 276 . 1 1 26 26 ARG C C 13 176.494 0.300 . 1 . . . . 26 ARG C . 11272 1 277 . 1 1 26 26 ARG CA C 13 54.876 0.300 . 1 . . . . 26 ARG CA . 11272 1 278 . 1 1 26 26 ARG CB C 13 30.714 0.300 . 1 . . . . 26 ARG CB . 11272 1 279 . 1 1 26 26 ARG CD C 13 43.246 0.300 . 1 . . . . 26 ARG CD . 11272 1 280 . 1 1 26 26 ARG CG C 13 28.166 0.300 . 1 . . . . 26 ARG CG . 11272 1 281 . 1 1 26 26 ARG N N 15 123.012 0.300 . 1 . . . . 26 ARG N . 11272 1 282 . 1 1 27 27 VAL H H 1 8.359 0.030 . 1 . . . . 27 VAL H . 11272 1 283 . 1 1 27 27 VAL HA H 1 4.795 0.030 . 1 . . . . 27 VAL HA . 11272 1 284 . 1 1 27 27 VAL HB H 1 2.320 0.030 . 1 . . . . 27 VAL HB . 11272 1 285 . 1 1 27 27 VAL HG11 H 1 0.796 0.030 . 1 . . . . 27 VAL HG1 . 11272 1 286 . 1 1 27 27 VAL HG12 H 1 0.796 0.030 . 1 . . . . 27 VAL HG1 . 11272 1 287 . 1 1 27 27 VAL HG13 H 1 0.796 0.030 . 1 . . . . 27 VAL HG1 . 11272 1 288 . 1 1 27 27 VAL HG21 H 1 0.538 0.030 . 1 . . . . 27 VAL HG2 . 11272 1 289 . 1 1 27 27 VAL HG22 H 1 0.538 0.030 . 1 . . . . 27 VAL HG2 . 11272 1 290 . 1 1 27 27 VAL HG23 H 1 0.538 0.030 . 1 . . . . 27 VAL HG2 . 11272 1 291 . 1 1 27 27 VAL C C 13 174.822 0.300 . 1 . . . . 27 VAL C . 11272 1 292 . 1 1 27 27 VAL CA C 13 57.901 0.300 . 1 . . . . 27 VAL CA . 11272 1 293 . 1 1 27 27 VAL CB C 13 37.188 0.300 . 1 . . . . 27 VAL CB . 11272 1 294 . 1 1 27 27 VAL CG1 C 13 22.774 0.300 . 2 . . . . 27 VAL CG1 . 11272 1 295 . 1 1 27 27 VAL CG2 C 13 18.483 0.300 . 2 . . . . 27 VAL CG2 . 11272 1 296 . 1 1 27 27 VAL N N 15 114.085 0.300 . 1 . . . . 27 VAL N . 11272 1 297 . 1 1 28 28 SER H H 1 8.829 0.030 . 1 . . . . 28 SER H . 11272 1 298 . 1 1 28 28 SER HA H 1 4.995 0.030 . 1 . . . . 28 SER HA . 11272 1 299 . 1 1 28 28 SER HB2 H 1 3.799 0.030 . 2 . . . . 28 SER HB2 . 11272 1 300 . 1 1 28 28 SER HB3 H 1 4.252 0.030 . 2 . . . . 28 SER HB3 . 11272 1 301 . 1 1 28 28 SER C C 13 175.404 0.300 . 1 . . . . 28 SER C . 11272 1 302 . 1 1 28 28 SER CA C 13 54.911 0.300 . 1 . . . . 28 SER CA . 11272 1 303 . 1 1 28 28 SER CB C 13 64.683 0.300 . 1 . . . . 28 SER CB . 11272 1 304 . 1 1 28 28 SER N N 15 116.106 0.300 . 1 . . . . 28 SER N . 11272 1 305 . 1 1 29 29 PRO HA H 1 4.474 0.030 . 1 . . . . 29 PRO HA . 11272 1 306 . 1 1 29 29 PRO HB2 H 1 1.659 0.030 . 2 . . . . 29 PRO HB2 . 11272 1 307 . 1 1 29 29 PRO HB3 H 1 1.902 0.030 . 2 . . . . 29 PRO HB3 . 11272 1 308 . 1 1 29 29 PRO HD2 H 1 3.671 0.030 . 2 . . . . 29 PRO HD2 . 11272 1 309 . 1 1 29 29 PRO HD3 H 1 3.932 0.030 . 2 . . . . 29 PRO HD3 . 11272 1 310 . 1 1 29 29 PRO HG2 H 1 1.817 0.030 . 2 . . . . 29 PRO HG2 . 11272 1 311 . 1 1 29 29 PRO HG3 H 1 1.024 0.030 . 2 . . . . 29 PRO HG3 . 11272 1 312 . 1 1 29 29 PRO C C 13 173.393 0.300 . 1 . . . . 29 PRO C . 11272 1 313 . 1 1 29 29 PRO CA C 13 63.847 0.300 . 1 . . . . 29 PRO CA . 11272 1 314 . 1 1 29 29 PRO CB C 13 30.610 0.300 . 1 . . . . 29 PRO CB . 11272 1 315 . 1 1 29 29 PRO CD C 13 50.640 0.300 . 1 . . . . 29 PRO CD . 11272 1 316 . 1 1 29 29 PRO CG C 13 25.848 0.300 . 1 . . . . 29 PRO CG . 11272 1 317 . 1 1 30 30 HIS H H 1 7.677 0.030 . 1 . . . . 30 HIS H . 11272 1 318 . 1 1 30 30 HIS HA H 1 4.841 0.030 . 1 . . . . 30 HIS HA . 11272 1 319 . 1 1 30 30 HIS HB2 H 1 2.725 0.030 . 2 . . . . 30 HIS HB2 . 11272 1 320 . 1 1 30 30 HIS HB3 H 1 3.290 0.030 . 2 . . . . 30 HIS HB3 . 11272 1 321 . 1 1 30 30 HIS HD2 H 1 7.053 0.030 . 1 . . . . 30 HIS HD2 . 11272 1 322 . 1 1 30 30 HIS HE1 H 1 7.745 0.030 . 1 . . . . 30 HIS HE1 . 11272 1 323 . 1 1 30 30 HIS C C 13 175.694 0.300 . 1 . . . . 30 HIS C . 11272 1 324 . 1 1 30 30 HIS CA C 13 55.650 0.300 . 1 . . . . 30 HIS CA . 11272 1 325 . 1 1 30 30 HIS CB C 13 32.497 0.300 . 1 . . . . 30 HIS CB . 11272 1 326 . 1 1 30 30 HIS CD2 C 13 119.949 0.300 . 1 . . . . 30 HIS CD2 . 11272 1 327 . 1 1 30 30 HIS CE1 C 13 138.799 0.300 . 1 . . . . 30 HIS CE1 . 11272 1 328 . 1 1 30 30 HIS N N 15 115.398 0.300 . 1 . . . . 30 HIS N . 11272 1 329 . 1 1 31 31 ALA H H 1 6.703 0.030 . 1 . . . . 31 ALA H . 11272 1 330 . 1 1 31 31 ALA HA H 1 4.450 0.030 . 1 . . . . 31 ALA HA . 11272 1 331 . 1 1 31 31 ALA HB1 H 1 1.384 0.030 . 1 . . . . 31 ALA HB . 11272 1 332 . 1 1 31 31 ALA HB2 H 1 1.384 0.030 . 1 . . . . 31 ALA HB . 11272 1 333 . 1 1 31 31 ALA HB3 H 1 1.384 0.030 . 1 . . . . 31 ALA HB . 11272 1 334 . 1 1 31 31 ALA C C 13 176.905 0.300 . 1 . . . . 31 ALA C . 11272 1 335 . 1 1 31 31 ALA CA C 13 51.239 0.300 . 1 . . . . 31 ALA CA . 11272 1 336 . 1 1 31 31 ALA CB C 13 19.976 0.300 . 1 . . . . 31 ALA CB . 11272 1 337 . 1 1 31 31 ALA N N 15 123.602 0.300 . 1 . . . . 31 ALA N . 11272 1 338 . 1 1 32 32 SER H H 1 8.730 0.030 . 1 . . . . 32 SER H . 11272 1 339 . 1 1 32 32 SER HA H 1 3.854 0.030 . 1 . . . . 32 SER HA . 11272 1 340 . 1 1 32 32 SER HB2 H 1 4.012 0.030 . 2 . . . . 32 SER HB2 . 11272 1 341 . 1 1 32 32 SER HB3 H 1 4.262 0.030 . 2 . . . . 32 SER HB3 . 11272 1 342 . 1 1 32 32 SER C C 13 175.476 0.300 . 1 . . . . 32 SER C . 11272 1 343 . 1 1 32 32 SER CA C 13 58.617 0.300 . 1 . . . . 32 SER CA . 11272 1 344 . 1 1 32 32 SER CB C 13 63.905 0.300 . 1 . . . . 32 SER CB . 11272 1 345 . 1 1 32 32 SER N N 15 117.593 0.300 . 1 . . . . 32 SER N . 11272 1 346 . 1 1 33 33 LEU H H 1 8.597 0.030 . 1 . . . . 33 LEU H . 11272 1 347 . 1 1 33 33 LEU HA H 1 3.938 0.030 . 1 . . . . 33 LEU HA . 11272 1 348 . 1 1 33 33 LEU HB2 H 1 1.442 0.030 . 2 . . . . 33 LEU HB2 . 11272 1 349 . 1 1 33 33 LEU HB3 H 1 1.967 0.030 . 2 . . . . 33 LEU HB3 . 11272 1 350 . 1 1 33 33 LEU HD11 H 1 0.736 0.030 . 1 . . . . 33 LEU HD1 . 11272 1 351 . 1 1 33 33 LEU HD12 H 1 0.736 0.030 . 1 . . . . 33 LEU HD1 . 11272 1 352 . 1 1 33 33 LEU HD13 H 1 0.736 0.030 . 1 . . . . 33 LEU HD1 . 11272 1 353 . 1 1 33 33 LEU HD21 H 1 0.687 0.030 . 1 . . . . 33 LEU HD2 . 11272 1 354 . 1 1 33 33 LEU HD22 H 1 0.687 0.030 . 1 . . . . 33 LEU HD2 . 11272 1 355 . 1 1 33 33 LEU HD23 H 1 0.687 0.030 . 1 . . . . 33 LEU HD2 . 11272 1 356 . 1 1 33 33 LEU HG H 1 1.835 0.030 . 1 . . . . 33 LEU HG . 11272 1 357 . 1 1 33 33 LEU C C 13 179.207 0.300 . 1 . . . . 33 LEU C . 11272 1 358 . 1 1 33 33 LEU CA C 13 58.520 0.300 . 1 . . . . 33 LEU CA . 11272 1 359 . 1 1 33 33 LEU CB C 13 42.059 0.300 . 1 . . . . 33 LEU CB . 11272 1 360 . 1 1 33 33 LEU CD1 C 13 26.290 0.300 . 2 . . . . 33 LEU CD1 . 11272 1 361 . 1 1 33 33 LEU CD2 C 13 23.826 0.300 . 2 . . . . 33 LEU CD2 . 11272 1 362 . 1 1 33 33 LEU CG C 13 28.084 0.300 . 1 . . . . 33 LEU CG . 11272 1 363 . 1 1 33 33 LEU N N 15 123.386 0.300 . 1 . . . . 33 LEU N . 11272 1 364 . 1 1 34 34 GLN H H 1 9.052 0.030 . 1 . . . . 34 GLN H . 11272 1 365 . 1 1 34 34 GLN HA H 1 3.993 0.030 . 1 . . . . 34 GLN HA . 11272 1 366 . 1 1 34 34 GLN HB2 H 1 2.024 0.030 . 2 . . . . 34 GLN HB2 . 11272 1 367 . 1 1 34 34 GLN HB3 H 1 2.178 0.030 . 2 . . . . 34 GLN HB3 . 11272 1 368 . 1 1 34 34 GLN HE21 H 1 6.841 0.030 . 2 . . . . 34 GLN HE21 . 11272 1 369 . 1 1 34 34 GLN HE22 H 1 7.437 0.030 . 2 . . . . 34 GLN HE22 . 11272 1 370 . 1 1 34 34 GLN HG2 H 1 2.301 0.030 . 2 . . . . 34 GLN HG2 . 11272 1 371 . 1 1 34 34 GLN HG3 H 1 2.388 0.030 . 2 . . . . 34 GLN HG3 . 11272 1 372 . 1 1 34 34 GLN C C 13 178.432 0.300 . 1 . . . . 34 GLN C . 11272 1 373 . 1 1 34 34 GLN CA C 13 59.132 0.300 . 1 . . . . 34 GLN CA . 11272 1 374 . 1 1 34 34 GLN CB C 13 28.390 0.300 . 1 . . . . 34 GLN CB . 11272 1 375 . 1 1 34 34 GLN CG C 13 33.125 0.300 . 1 . . . . 34 GLN CG . 11272 1 376 . 1 1 34 34 GLN N N 15 117.708 0.300 . 1 . . . . 34 GLN N . 11272 1 377 . 1 1 34 34 GLN NE2 N 15 111.553 0.300 . 1 . . . . 34 GLN NE2 . 11272 1 378 . 1 1 35 35 GLU H H 1 7.745 0.030 . 1 . . . . 35 GLU H . 11272 1 379 . 1 1 35 35 GLU HA H 1 4.114 0.030 . 1 . . . . 35 GLU HA . 11272 1 380 . 1 1 35 35 GLU HB2 H 1 2.162 0.030 . 2 . . . . 35 GLU HB2 . 11272 1 381 . 1 1 35 35 GLU HB3 H 1 2.327 0.030 . 2 . . . . 35 GLU HB3 . 11272 1 382 . 1 1 35 35 GLU HG2 H 1 2.324 0.030 . 1 . . . . 35 GLU HG2 . 11272 1 383 . 1 1 35 35 GLU HG3 H 1 2.324 0.030 . 1 . . . . 35 GLU HG3 . 11272 1 384 . 1 1 35 35 GLU C C 13 178.432 0.300 . 1 . . . . 35 GLU C . 11272 1 385 . 1 1 35 35 GLU CA C 13 58.513 0.300 . 1 . . . . 35 GLU CA . 11272 1 386 . 1 1 35 35 GLU CB C 13 29.788 0.300 . 1 . . . . 35 GLU CB . 11272 1 387 . 1 1 35 35 GLU CG C 13 37.238 0.300 . 1 . . . . 35 GLU CG . 11272 1 388 . 1 1 35 35 GLU N N 15 118.913 0.300 . 1 . . . . 35 GLU N . 11272 1 389 . 1 1 36 36 LEU H H 1 7.866 0.030 . 1 . . . . 36 LEU H . 11272 1 390 . 1 1 36 36 LEU HA H 1 4.310 0.030 . 1 . . . . 36 LEU HA . 11272 1 391 . 1 1 36 36 LEU HB2 H 1 1.945 0.030 . 2 . . . . 36 LEU HB2 . 11272 1 392 . 1 1 36 36 LEU HB3 H 1 1.312 0.030 . 2 . . . . 36 LEU HB3 . 11272 1 393 . 1 1 36 36 LEU HD11 H 1 0.905 0.030 . 1 . . . . 36 LEU HD1 . 11272 1 394 . 1 1 36 36 LEU HD12 H 1 0.905 0.030 . 1 . . . . 36 LEU HD1 . 11272 1 395 . 1 1 36 36 LEU HD13 H 1 0.905 0.030 . 1 . . . . 36 LEU HD1 . 11272 1 396 . 1 1 36 36 LEU HD21 H 1 0.896 0.030 . 1 . . . . 36 LEU HD2 . 11272 1 397 . 1 1 36 36 LEU HD22 H 1 0.896 0.030 . 1 . . . . 36 LEU HD2 . 11272 1 398 . 1 1 36 36 LEU HD23 H 1 0.896 0.030 . 1 . . . . 36 LEU HD2 . 11272 1 399 . 1 1 36 36 LEU HG H 1 1.872 0.030 . 1 . . . . 36 LEU HG . 11272 1 400 . 1 1 36 36 LEU C C 13 178.795 0.300 . 1 . . . . 36 LEU C . 11272 1 401 . 1 1 36 36 LEU CA C 13 55.509 0.300 . 1 . . . . 36 LEU CA . 11272 1 402 . 1 1 36 36 LEU CB C 13 43.486 0.300 . 1 . . . . 36 LEU CB . 11272 1 403 . 1 1 36 36 LEU CD1 C 13 26.074 0.300 . 2 . . . . 36 LEU CD1 . 11272 1 404 . 1 1 36 36 LEU CD2 C 13 23.096 0.300 . 2 . . . . 36 LEU CD2 . 11272 1 405 . 1 1 36 36 LEU CG C 13 25.617 0.300 . 1 . . . . 36 LEU CG . 11272 1 406 . 1 1 36 36 LEU N N 15 116.458 0.300 . 1 . . . . 36 LEU N . 11272 1 407 . 1 1 37 37 ALA H H 1 8.329 0.030 . 1 . . . . 37 ALA H . 11272 1 408 . 1 1 37 37 ALA HA H 1 4.054 0.030 . 1 . . . . 37 ALA HA . 11272 1 409 . 1 1 37 37 ALA HB1 H 1 1.590 0.030 . 1 . . . . 37 ALA HB . 11272 1 410 . 1 1 37 37 ALA HB2 H 1 1.590 0.030 . 1 . . . . 37 ALA HB . 11272 1 411 . 1 1 37 37 ALA HB3 H 1 1.590 0.030 . 1 . . . . 37 ALA HB . 11272 1 412 . 1 1 37 37 ALA C C 13 175.694 0.300 . 1 . . . . 37 ALA C . 11272 1 413 . 1 1 37 37 ALA CA C 13 57.972 0.300 . 1 . . . . 37 ALA CA . 11272 1 414 . 1 1 37 37 ALA CB C 13 15.146 0.300 . 1 . . . . 37 ALA CB . 11272 1 415 . 1 1 37 37 ALA N N 15 123.430 0.300 . 1 . . . . 37 ALA N . 11272 1 416 . 1 1 38 38 PRO HA H 1 4.181 0.030 . 1 . . . . 38 PRO HA . 11272 1 417 . 1 1 38 38 PRO HB2 H 1 1.914 0.030 . 2 . . . . 38 PRO HB2 . 11272 1 418 . 1 1 38 38 PRO HB3 H 1 2.410 0.030 . 2 . . . . 38 PRO HB3 . 11272 1 419 . 1 1 38 38 PRO HD2 H 1 3.759 0.030 . 2 . . . . 38 PRO HD2 . 11272 1 420 . 1 1 38 38 PRO HD3 H 1 3.795 0.030 . 2 . . . . 38 PRO HD3 . 11272 1 421 . 1 1 38 38 PRO HG2 H 1 2.032 0.030 . 2 . . . . 38 PRO HG2 . 11272 1 422 . 1 1 38 38 PRO HG3 H 1 2.150 0.030 . 2 . . . . 38 PRO HG3 . 11272 1 423 . 1 1 38 38 PRO C C 13 179.497 0.300 . 1 . . . . 38 PRO C . 11272 1 424 . 1 1 38 38 PRO CA C 13 66.581 0.300 . 1 . . . . 38 PRO CA . 11272 1 425 . 1 1 38 38 PRO CB C 13 31.268 0.300 . 1 . . . . 38 PRO CB . 11272 1 426 . 1 1 38 38 PRO CD C 13 50.640 0.300 . 1 . . . . 38 PRO CD . 11272 1 427 . 1 1 38 38 PRO CG C 13 28.625 0.300 . 1 . . . . 38 PRO CG . 11272 1 428 . 1 1 39 39 ILE H H 1 7.180 0.030 . 1 . . . . 39 ILE H . 11272 1 429 . 1 1 39 39 ILE HA H 1 3.835 0.030 . 1 . . . . 39 ILE HA . 11272 1 430 . 1 1 39 39 ILE HB H 1 2.092 0.030 . 1 . . . . 39 ILE HB . 11272 1 431 . 1 1 39 39 ILE HD11 H 1 0.995 0.030 . 1 . . . . 39 ILE HD1 . 11272 1 432 . 1 1 39 39 ILE HD12 H 1 0.995 0.030 . 1 . . . . 39 ILE HD1 . 11272 1 433 . 1 1 39 39 ILE HD13 H 1 0.995 0.030 . 1 . . . . 39 ILE HD1 . 11272 1 434 . 1 1 39 39 ILE HG12 H 1 1.678 0.030 . 2 . . . . 39 ILE HG12 . 11272 1 435 . 1 1 39 39 ILE HG13 H 1 1.243 0.030 . 2 . . . . 39 ILE HG13 . 11272 1 436 . 1 1 39 39 ILE HG21 H 1 0.909 0.030 . 1 . . . . 39 ILE HG2 . 11272 1 437 . 1 1 39 39 ILE HG22 H 1 0.909 0.030 . 1 . . . . 39 ILE HG2 . 11272 1 438 . 1 1 39 39 ILE HG23 H 1 0.909 0.030 . 1 . . . . 39 ILE HG2 . 11272 1 439 . 1 1 39 39 ILE C C 13 178.625 0.300 . 1 . . . . 39 ILE C . 11272 1 440 . 1 1 39 39 ILE CA C 13 64.339 0.300 . 1 . . . . 39 ILE CA . 11272 1 441 . 1 1 39 39 ILE CB C 13 38.494 0.300 . 1 . . . . 39 ILE CB . 11272 1 442 . 1 1 39 39 ILE CD1 C 13 13.559 0.300 . 1 . . . . 39 ILE CD1 . 11272 1 443 . 1 1 39 39 ILE CG1 C 13 28.687 0.300 . 1 . . . . 39 ILE CG1 . 11272 1 444 . 1 1 39 39 ILE CG2 C 13 17.073 0.300 . 1 . . . . 39 ILE CG2 . 11272 1 445 . 1 1 39 39 ILE N N 15 119.274 0.300 . 1 . . . . 39 ILE N . 11272 1 446 . 1 1 40 40 ILE H H 1 8.116 0.030 . 1 . . . . 40 ILE H . 11272 1 447 . 1 1 40 40 ILE HA H 1 3.275 0.030 . 1 . . . . 40 ILE HA . 11272 1 448 . 1 1 40 40 ILE HB H 1 1.855 0.030 . 1 . . . . 40 ILE HB . 11272 1 449 . 1 1 40 40 ILE HD11 H 1 0.703 0.030 . 1 . . . . 40 ILE HD1 . 11272 1 450 . 1 1 40 40 ILE HD12 H 1 0.703 0.030 . 1 . . . . 40 ILE HD1 . 11272 1 451 . 1 1 40 40 ILE HD13 H 1 0.703 0.030 . 1 . . . . 40 ILE HD1 . 11272 1 452 . 1 1 40 40 ILE HG12 H 1 0.782 0.030 . 2 . . . . 40 ILE HG12 . 11272 1 453 . 1 1 40 40 ILE HG13 H 1 1.666 0.030 . 2 . . . . 40 ILE HG13 . 11272 1 454 . 1 1 40 40 ILE HG21 H 1 0.740 0.030 . 1 . . . . 40 ILE HG2 . 11272 1 455 . 1 1 40 40 ILE HG22 H 1 0.740 0.030 . 1 . . . . 40 ILE HG2 . 11272 1 456 . 1 1 40 40 ILE HG23 H 1 0.740 0.030 . 1 . . . . 40 ILE HG2 . 11272 1 457 . 1 1 40 40 ILE C C 13 177.608 0.300 . 1 . . . . 40 ILE C . 11272 1 458 . 1 1 40 40 ILE CA C 13 65.933 0.300 . 1 . . . . 40 ILE CA . 11272 1 459 . 1 1 40 40 ILE CB C 13 38.832 0.300 . 1 . . . . 40 ILE CB . 11272 1 460 . 1 1 40 40 ILE CD1 C 13 14.052 0.300 . 1 . . . . 40 ILE CD1 . 11272 1 461 . 1 1 40 40 ILE CG1 C 13 29.377 0.300 . 1 . . . . 40 ILE CG1 . 11272 1 462 . 1 1 40 40 ILE CG2 C 13 16.461 0.300 . 1 . . . . 40 ILE CG2 . 11272 1 463 . 1 1 40 40 ILE N N 15 120.968 0.300 . 1 . . . . 40 ILE N . 11272 1 464 . 1 1 41 41 CYS H H 1 8.702 0.030 . 1 . . . . 41 CYS H . 11272 1 465 . 1 1 41 41 CYS HA H 1 3.775 0.030 . 1 . . . . 41 CYS HA . 11272 1 466 . 1 1 41 41 CYS HB2 H 1 2.846 0.030 . 2 . . . . 41 CYS HB2 . 11272 1 467 . 1 1 41 41 CYS HB3 H 1 2.984 0.030 . 2 . . . . 41 CYS HB3 . 11272 1 468 . 1 1 41 41 CYS C C 13 177.051 0.300 . 1 . . . . 41 CYS C . 11272 1 469 . 1 1 41 41 CYS CA C 13 65.359 0.300 . 1 . . . . 41 CYS CA . 11272 1 470 . 1 1 41 41 CYS CB C 13 25.841 0.300 . 1 . . . . 41 CYS CB . 11272 1 471 . 1 1 41 41 CYS N N 15 114.811 0.300 . 1 . . . . 41 CYS N . 11272 1 472 . 1 1 42 42 SER H H 1 7.944 0.030 . 1 . . . . 42 SER H . 11272 1 473 . 1 1 42 42 SER HA H 1 4.308 0.030 . 1 . . . . 42 SER HA . 11272 1 474 . 1 1 42 42 SER HB2 H 1 4.017 0.030 . 1 . . . . 42 SER HB2 . 11272 1 475 . 1 1 42 42 SER HB3 H 1 4.017 0.030 . 1 . . . . 42 SER HB3 . 11272 1 476 . 1 1 42 42 SER C C 13 177.584 0.300 . 1 . . . . 42 SER C . 11272 1 477 . 1 1 42 42 SER CA C 13 61.443 0.300 . 1 . . . . 42 SER CA . 11272 1 478 . 1 1 42 42 SER CB C 13 62.674 0.300 . 1 . . . . 42 SER CB . 11272 1 479 . 1 1 42 42 SER N N 15 114.764 0.300 . 1 . . . . 42 SER N . 11272 1 480 . 1 1 43 43 LYS H H 1 7.612 0.030 . 1 . . . . 43 LYS H . 11272 1 481 . 1 1 43 43 LYS HA H 1 4.090 0.030 . 1 . . . . 43 LYS HA . 11272 1 482 . 1 1 43 43 LYS HB2 H 1 1.798 0.030 . 1 . . . . 43 LYS HB2 . 11272 1 483 . 1 1 43 43 LYS HB3 H 1 1.798 0.030 . 1 . . . . 43 LYS HB3 . 11272 1 484 . 1 1 43 43 LYS HD2 H 1 1.650 0.030 . 1 . . . . 43 LYS HD2 . 11272 1 485 . 1 1 43 43 LYS HD3 H 1 1.650 0.030 . 1 . . . . 43 LYS HD3 . 11272 1 486 . 1 1 43 43 LYS HE2 H 1 2.995 0.030 . 2 . . . . 43 LYS HE2 . 11272 1 487 . 1 1 43 43 LYS HE3 H 1 3.054 0.030 . 2 . . . . 43 LYS HE3 . 11272 1 488 . 1 1 43 43 LYS HG2 H 1 1.413 0.030 . 2 . . . . 43 LYS HG2 . 11272 1 489 . 1 1 43 43 LYS HG3 H 1 1.515 0.030 . 2 . . . . 43 LYS HG3 . 11272 1 490 . 1 1 43 43 LYS C C 13 177.874 0.300 . 1 . . . . 43 LYS C . 11272 1 491 . 1 1 43 43 LYS CA C 13 57.506 0.300 . 1 . . . . 43 LYS CA . 11272 1 492 . 1 1 43 43 LYS CB C 13 31.852 0.300 . 1 . . . . 43 LYS CB . 11272 1 493 . 1 1 43 43 LYS CD C 13 28.166 0.300 . 1 . . . . 43 LYS CD . 11272 1 494 . 1 1 43 43 LYS CE C 13 42.171 0.300 . 1 . . . . 43 LYS CE . 11272 1 495 . 1 1 43 43 LYS CG C 13 24.905 0.300 . 1 . . . . 43 LYS CG . 11272 1 496 . 1 1 43 43 LYS N N 15 120.561 0.300 . 1 . . . . 43 LYS N . 11272 1 497 . 1 1 44 44 CYS H H 1 7.057 0.030 . 1 . . . . 44 CYS H . 11272 1 498 . 1 1 44 44 CYS HA H 1 3.460 0.030 . 1 . . . . 44 CYS HA . 11272 1 499 . 1 1 44 44 CYS HB2 H 1 1.005 0.030 . 2 . . . . 44 CYS HB2 . 11272 1 500 . 1 1 44 44 CYS HB3 H 1 1.297 0.030 . 2 . . . . 44 CYS HB3 . 11272 1 501 . 1 1 44 44 CYS C C 13 171.867 0.300 . 1 . . . . 44 CYS C . 11272 1 502 . 1 1 44 44 CYS CA C 13 59.022 0.300 . 1 . . . . 44 CYS CA . 11272 1 503 . 1 1 44 44 CYS CB C 13 27.486 0.300 . 1 . . . . 44 CYS CB . 11272 1 504 . 1 1 44 44 CYS N N 15 114.034 0.300 . 1 . . . . 44 CYS N . 11272 1 505 . 1 1 45 45 GLU H H 1 7.330 0.030 . 1 . . . . 45 GLU H . 11272 1 506 . 1 1 45 45 GLU HA H 1 3.787 0.030 . 1 . . . . 45 GLU HA . 11272 1 507 . 1 1 45 45 GLU HB2 H 1 2.133 0.030 . 2 . . . . 45 GLU HB2 . 11272 1 508 . 1 1 45 45 GLU HB3 H 1 2.203 0.030 . 2 . . . . 45 GLU HB3 . 11272 1 509 . 1 1 45 45 GLU HG2 H 1 2.030 0.030 . 2 . . . . 45 GLU HG2 . 11272 1 510 . 1 1 45 45 GLU HG3 H 1 2.109 0.030 . 2 . . . . 45 GLU HG3 . 11272 1 511 . 1 1 45 45 GLU C C 13 175.646 0.300 . 1 . . . . 45 GLU C . 11272 1 512 . 1 1 45 45 GLU CA C 13 57.403 0.300 . 1 . . . . 45 GLU CA . 11272 1 513 . 1 1 45 45 GLU CB C 13 26.591 0.300 . 1 . . . . 45 GLU CB . 11272 1 514 . 1 1 45 45 GLU CG C 13 36.952 0.300 . 1 . . . . 45 GLU CG . 11272 1 515 . 1 1 45 45 GLU N N 15 113.735 0.300 . 1 . . . . 45 GLU N . 11272 1 516 . 1 1 46 46 PHE H H 1 8.116 0.030 . 1 . . . . 46 PHE H . 11272 1 517 . 1 1 46 46 PHE HA H 1 5.189 0.030 . 1 . . . . 46 PHE HA . 11272 1 518 . 1 1 46 46 PHE HB2 H 1 2.513 0.030 . 2 . . . . 46 PHE HB2 . 11272 1 519 . 1 1 46 46 PHE HB3 H 1 3.513 0.030 . 2 . . . . 46 PHE HB3 . 11272 1 520 . 1 1 46 46 PHE HD1 H 1 6.920 0.030 . 1 . . . . 46 PHE HD1 . 11272 1 521 . 1 1 46 46 PHE HD2 H 1 6.920 0.030 . 1 . . . . 46 PHE HD2 . 11272 1 522 . 1 1 46 46 PHE HE1 H 1 7.075 0.030 . 1 . . . . 46 PHE HE1 . 11272 1 523 . 1 1 46 46 PHE HE2 H 1 7.075 0.030 . 1 . . . . 46 PHE HE2 . 11272 1 524 . 1 1 46 46 PHE HZ H 1 7.055 0.030 . 1 . . . . 46 PHE HZ . 11272 1 525 . 1 1 46 46 PHE C C 13 175.888 0.300 . 1 . . . . 46 PHE C . 11272 1 526 . 1 1 46 46 PHE CA C 13 52.026 0.300 . 1 . . . . 46 PHE CA . 11272 1 527 . 1 1 46 46 PHE CB C 13 41.029 0.300 . 1 . . . . 46 PHE CB . 11272 1 528 . 1 1 46 46 PHE CD1 C 13 129.691 0.300 . 1 . . . . 46 PHE CD1 . 11272 1 529 . 1 1 46 46 PHE CD2 C 13 129.691 0.300 . 1 . . . . 46 PHE CD2 . 11272 1 530 . 1 1 46 46 PHE CE1 C 13 130.914 0.300 . 1 . . . . 46 PHE CE1 . 11272 1 531 . 1 1 46 46 PHE CE2 C 13 130.914 0.300 . 1 . . . . 46 PHE CE2 . 11272 1 532 . 1 1 46 46 PHE CZ C 13 129.049 0.300 . 1 . . . . 46 PHE CZ . 11272 1 533 . 1 1 46 46 PHE N N 15 117.854 0.300 . 1 . . . . 46 PHE N . 11272 1 534 . 1 1 47 47 ASP H H 1 8.807 0.030 . 1 . . . . 47 ASP H . 11272 1 535 . 1 1 47 47 ASP HA H 1 4.925 0.030 . 1 . . . . 47 ASP HA . 11272 1 536 . 1 1 47 47 ASP HB2 H 1 2.697 0.030 . 2 . . . . 47 ASP HB2 . 11272 1 537 . 1 1 47 47 ASP HB3 H 1 2.829 0.030 . 2 . . . . 47 ASP HB3 . 11272 1 538 . 1 1 47 47 ASP C C 13 177.366 0.300 . 1 . . . . 47 ASP C . 11272 1 539 . 1 1 47 47 ASP CA C 13 50.971 0.300 . 1 . . . . 47 ASP CA . 11272 1 540 . 1 1 47 47 ASP CB C 13 42.505 0.300 . 1 . . . . 47 ASP CB . 11272 1 541 . 1 1 47 47 ASP N N 15 121.965 0.300 . 1 . . . . 47 ASP N . 11272 1 542 . 1 1 48 48 PRO HA H 1 4.747 0.030 . 1 . . . . 48 PRO HA . 11272 1 543 . 1 1 48 48 PRO HB2 H 1 2.050 0.030 . 2 . . . . 48 PRO HB2 . 11272 1 544 . 1 1 48 48 PRO HB3 H 1 2.210 0.030 . 2 . . . . 48 PRO HB3 . 11272 1 545 . 1 1 48 48 PRO HD2 H 1 4.054 0.030 . 2 . . . . 48 PRO HD2 . 11272 1 546 . 1 1 48 48 PRO HD3 H 1 4.093 0.030 . 2 . . . . 48 PRO HD3 . 11272 1 547 . 1 1 48 48 PRO HG2 H 1 2.058 0.030 . 1 . . . . 48 PRO HG2 . 11272 1 548 . 1 1 48 48 PRO HG3 H 1 2.058 0.030 . 1 . . . . 48 PRO HG3 . 11272 1 549 . 1 1 48 48 PRO C C 13 178.165 0.300 . 1 . . . . 48 PRO C . 11272 1 550 . 1 1 48 48 PRO CA C 13 65.113 0.300 . 1 . . . . 48 PRO CA . 11272 1 551 . 1 1 48 48 PRO CB C 13 32.255 0.300 . 1 . . . . 48 PRO CB . 11272 1 552 . 1 1 48 48 PRO CD C 13 51.431 0.300 . 1 . . . . 48 PRO CD . 11272 1 553 . 1 1 48 48 PRO CG C 13 27.207 0.300 . 1 . . . . 48 PRO CG . 11272 1 554 . 1 1 49 49 LEU H H 1 8.292 0.030 . 1 . . . . 49 LEU H . 11272 1 555 . 1 1 49 49 LEU HA H 1 4.132 0.030 . 1 . . . . 49 LEU HA . 11272 1 556 . 1 1 49 49 LEU HB2 H 1 1.140 0.030 . 2 . . . . 49 LEU HB2 . 11272 1 557 . 1 1 49 49 LEU HB3 H 1 1.465 0.030 . 2 . . . . 49 LEU HB3 . 11272 1 558 . 1 1 49 49 LEU HD11 H 1 0.914 0.030 . 1 . . . . 49 LEU HD1 . 11272 1 559 . 1 1 49 49 LEU HD12 H 1 0.914 0.030 . 1 . . . . 49 LEU HD1 . 11272 1 560 . 1 1 49 49 LEU HD13 H 1 0.914 0.030 . 1 . . . . 49 LEU HD1 . 11272 1 561 . 1 1 49 49 LEU HD21 H 1 0.825 0.030 . 1 . . . . 49 LEU HD2 . 11272 1 562 . 1 1 49 49 LEU HD22 H 1 0.825 0.030 . 1 . . . . 49 LEU HD2 . 11272 1 563 . 1 1 49 49 LEU HD23 H 1 0.825 0.030 . 1 . . . . 49 LEU HD2 . 11272 1 564 . 1 1 49 49 LEU HG H 1 1.515 0.030 . 1 . . . . 49 LEU HG . 11272 1 565 . 1 1 49 49 LEU C C 13 177.802 0.300 . 1 . . . . 49 LEU C . 11272 1 566 . 1 1 49 49 LEU CA C 13 56.174 0.300 . 1 . . . . 49 LEU CA . 11272 1 567 . 1 1 49 49 LEU CB C 13 41.534 0.300 . 1 . . . . 49 LEU CB . 11272 1 568 . 1 1 49 49 LEU CD1 C 13 24.872 0.300 . 2 . . . . 49 LEU CD1 . 11272 1 569 . 1 1 49 49 LEU CD2 C 13 22.910 0.300 . 2 . . . . 49 LEU CD2 . 11272 1 570 . 1 1 49 49 LEU CG C 13 27.241 0.300 . 1 . . . . 49 LEU CG . 11272 1 571 . 1 1 49 49 LEU N N 15 117.024 0.300 . 1 . . . . 49 LEU N . 11272 1 572 . 1 1 50 50 HIS H H 1 7.513 0.030 . 1 . . . . 50 HIS H . 11272 1 573 . 1 1 50 50 HIS HA H 1 4.897 0.030 . 1 . . . . 50 HIS HA . 11272 1 574 . 1 1 50 50 HIS HB2 H 1 2.748 0.030 . 2 . . . . 50 HIS HB2 . 11272 1 575 . 1 1 50 50 HIS HB3 H 1 3.584 0.030 . 2 . . . . 50 HIS HB3 . 11272 1 576 . 1 1 50 50 HIS HD2 H 1 7.064 0.030 . 1 . . . . 50 HIS HD2 . 11272 1 577 . 1 1 50 50 HIS HE1 H 1 8.160 0.030 . 1 . . . . 50 HIS HE1 . 11272 1 578 . 1 1 50 50 HIS C C 13 173.393 0.300 . 1 . . . . 50 HIS C . 11272 1 579 . 1 1 50 50 HIS CA C 13 54.489 0.300 . 1 . . . . 50 HIS CA . 11272 1 580 . 1 1 50 50 HIS CB C 13 31.268 0.300 . 1 . . . . 50 HIS CB . 11272 1 581 . 1 1 50 50 HIS CD2 C 13 120.691 0.300 . 1 . . . . 50 HIS CD2 . 11272 1 582 . 1 1 50 50 HIS CE1 C 13 137.666 0.300 . 1 . . . . 50 HIS CE1 . 11272 1 583 . 1 1 50 50 HIS N N 15 114.865 0.300 . 1 . . . . 50 HIS N . 11272 1 584 . 1 1 51 51 THR H H 1 7.009 0.030 . 1 . . . . 51 THR H . 11272 1 585 . 1 1 51 51 THR HA H 1 5.142 0.030 . 1 . . . . 51 THR HA . 11272 1 586 . 1 1 51 51 THR HB H 1 3.688 0.030 . 1 . . . . 51 THR HB . 11272 1 587 . 1 1 51 51 THR HG21 H 1 0.901 0.030 . 1 . . . . 51 THR HG2 . 11272 1 588 . 1 1 51 51 THR HG22 H 1 0.901 0.030 . 1 . . . . 51 THR HG2 . 11272 1 589 . 1 1 51 51 THR HG23 H 1 0.901 0.030 . 1 . . . . 51 THR HG2 . 11272 1 590 . 1 1 51 51 THR C C 13 173.272 0.300 . 1 . . . . 51 THR C . 11272 1 591 . 1 1 51 51 THR CA C 13 62.668 0.300 . 1 . . . . 51 THR CA . 11272 1 592 . 1 1 51 51 THR CB C 13 70.580 0.300 . 1 . . . . 51 THR CB . 11272 1 593 . 1 1 51 51 THR CG2 C 13 21.453 0.300 . 1 . . . . 51 THR CG2 . 11272 1 594 . 1 1 51 51 THR N N 15 116.009 0.300 . 1 . . . . 51 THR N . 11272 1 595 . 1 1 52 52 LEU H H 1 9.263 0.030 . 1 . . . . 52 LEU H . 11272 1 596 . 1 1 52 52 LEU HA H 1 4.838 0.030 . 1 . . . . 52 LEU HA . 11272 1 597 . 1 1 52 52 LEU HB2 H 1 1.499 0.030 . 2 . . . . 52 LEU HB2 . 11272 1 598 . 1 1 52 52 LEU HB3 H 1 1.567 0.030 . 2 . . . . 52 LEU HB3 . 11272 1 599 . 1 1 52 52 LEU HD11 H 1 0.974 0.030 . 1 . . . . 52 LEU HD1 . 11272 1 600 . 1 1 52 52 LEU HD12 H 1 0.974 0.030 . 1 . . . . 52 LEU HD1 . 11272 1 601 . 1 1 52 52 LEU HD13 H 1 0.974 0.030 . 1 . . . . 52 LEU HD1 . 11272 1 602 . 1 1 52 52 LEU HD21 H 1 0.926 0.030 . 1 . . . . 52 LEU HD2 . 11272 1 603 . 1 1 52 52 LEU HD22 H 1 0.926 0.030 . 1 . . . . 52 LEU HD2 . 11272 1 604 . 1 1 52 52 LEU HD23 H 1 0.926 0.030 . 1 . . . . 52 LEU HD2 . 11272 1 605 . 1 1 52 52 LEU HG H 1 1.551 0.030 . 1 . . . . 52 LEU HG . 11272 1 606 . 1 1 52 52 LEU C C 13 175.307 0.300 . 1 . . . . 52 LEU C . 11272 1 607 . 1 1 52 52 LEU CA C 13 53.046 0.300 . 1 . . . . 52 LEU CA . 11272 1 608 . 1 1 52 52 LEU CB C 13 45.729 0.300 . 1 . . . . 52 LEU CB . 11272 1 609 . 1 1 52 52 LEU CD1 C 13 24.883 0.300 . 2 . . . . 52 LEU CD1 . 11272 1 610 . 1 1 52 52 LEU CD2 C 13 24.447 0.300 . 2 . . . . 52 LEU CD2 . 11272 1 611 . 1 1 52 52 LEU CG C 13 26.960 0.300 . 1 . . . . 52 LEU CG . 11272 1 612 . 1 1 52 52 LEU N N 15 129.459 0.300 . 1 . . . . 52 LEU N . 11272 1 613 . 1 1 53 53 LEU H H 1 8.866 0.030 . 1 . . . . 53 LEU H . 11272 1 614 . 1 1 53 53 LEU HA H 1 5.112 0.030 . 1 . . . . 53 LEU HA . 11272 1 615 . 1 1 53 53 LEU HB2 H 1 1.127 0.030 . 2 . . . . 53 LEU HB2 . 11272 1 616 . 1 1 53 53 LEU HB3 H 1 2.001 0.030 . 2 . . . . 53 LEU HB3 . 11272 1 617 . 1 1 53 53 LEU HD11 H 1 0.805 0.030 . 1 . . . . 53 LEU HD1 . 11272 1 618 . 1 1 53 53 LEU HD12 H 1 0.805 0.030 . 1 . . . . 53 LEU HD1 . 11272 1 619 . 1 1 53 53 LEU HD13 H 1 0.805 0.030 . 1 . . . . 53 LEU HD1 . 11272 1 620 . 1 1 53 53 LEU HD21 H 1 0.725 0.030 . 1 . . . . 53 LEU HD2 . 11272 1 621 . 1 1 53 53 LEU HD22 H 1 0.725 0.030 . 1 . . . . 53 LEU HD2 . 11272 1 622 . 1 1 53 53 LEU HD23 H 1 0.725 0.030 . 1 . . . . 53 LEU HD2 . 11272 1 623 . 1 1 53 53 LEU HG H 1 1.813 0.030 . 1 . . . . 53 LEU HG . 11272 1 624 . 1 1 53 53 LEU C C 13 175.379 0.300 . 1 . . . . 53 LEU C . 11272 1 625 . 1 1 53 53 LEU CA C 13 53.940 0.300 . 1 . . . . 53 LEU CA . 11272 1 626 . 1 1 53 53 LEU CB C 13 41.116 0.300 . 1 . . . . 53 LEU CB . 11272 1 627 . 1 1 53 53 LEU CD1 C 13 25.843 0.300 . 2 . . . . 53 LEU CD1 . 11272 1 628 . 1 1 53 53 LEU CD2 C 13 22.512 0.300 . 2 . . . . 53 LEU CD2 . 11272 1 629 . 1 1 53 53 LEU CG C 13 26.539 0.300 . 1 . . . . 53 LEU CG . 11272 1 630 . 1 1 53 53 LEU N N 15 122.717 0.300 . 1 . . . . 53 LEU N . 11272 1 631 . 1 1 54 54 LEU H H 1 9.672 0.030 . 1 . . . . 54 LEU H . 11272 1 632 . 1 1 54 54 LEU HA H 1 5.043 0.030 . 1 . . . . 54 LEU HA . 11272 1 633 . 1 1 54 54 LEU HB2 H 1 1.478 0.030 . 2 . . . . 54 LEU HB2 . 11272 1 634 . 1 1 54 54 LEU HB3 H 1 1.754 0.030 . 2 . . . . 54 LEU HB3 . 11272 1 635 . 1 1 54 54 LEU HD11 H 1 0.702 0.030 . 1 . . . . 54 LEU HD1 . 11272 1 636 . 1 1 54 54 LEU HD12 H 1 0.702 0.030 . 1 . . . . 54 LEU HD1 . 11272 1 637 . 1 1 54 54 LEU HD13 H 1 0.702 0.030 . 1 . . . . 54 LEU HD1 . 11272 1 638 . 1 1 54 54 LEU HD21 H 1 0.933 0.030 . 1 . . . . 54 LEU HD2 . 11272 1 639 . 1 1 54 54 LEU HD22 H 1 0.933 0.030 . 1 . . . . 54 LEU HD2 . 11272 1 640 . 1 1 54 54 LEU HD23 H 1 0.933 0.030 . 1 . . . . 54 LEU HD2 . 11272 1 641 . 1 1 54 54 LEU HG H 1 1.705 0.030 . 1 . . . . 54 LEU HG . 11272 1 642 . 1 1 54 54 LEU C C 13 176.373 0.300 . 1 . . . . 54 LEU C . 11272 1 643 . 1 1 54 54 LEU CA C 13 52.694 0.300 . 1 . . . . 54 LEU CA . 11272 1 644 . 1 1 54 54 LEU CB C 13 46.614 0.300 . 1 . . . . 54 LEU CB . 11272 1 645 . 1 1 54 54 LEU CD1 C 13 23.094 0.300 . 2 . . . . 54 LEU CD1 . 11272 1 646 . 1 1 54 54 LEU CD2 C 13 26.841 0.300 . 2 . . . . 54 LEU CD2 . 11272 1 647 . 1 1 54 54 LEU CG C 13 26.774 0.300 . 1 . . . . 54 LEU CG . 11272 1 648 . 1 1 54 54 LEU N N 15 124.677 0.300 . 1 . . . . 54 LEU N . 11272 1 649 . 1 1 55 55 LYS H H 1 9.305 0.030 . 1 . . . . 55 LYS H . 11272 1 650 . 1 1 55 55 LYS HA H 1 3.960 0.030 . 1 . . . . 55 LYS HA . 11272 1 651 . 1 1 55 55 LYS HB2 H 1 1.839 0.030 . 1 . . . . 55 LYS HB2 . 11272 1 652 . 1 1 55 55 LYS HB3 H 1 1.839 0.030 . 1 . . . . 55 LYS HB3 . 11272 1 653 . 1 1 55 55 LYS HD2 H 1 1.705 0.030 . 2 . . . . 55 LYS HD2 . 11272 1 654 . 1 1 55 55 LYS HD3 H 1 1.760 0.030 . 2 . . . . 55 LYS HD3 . 11272 1 655 . 1 1 55 55 LYS HE2 H 1 2.988 0.030 . 1 . . . . 55 LYS HE2 . 11272 1 656 . 1 1 55 55 LYS HE3 H 1 2.988 0.030 . 1 . . . . 55 LYS HE3 . 11272 1 657 . 1 1 55 55 LYS HG2 H 1 1.435 0.030 . 2 . . . . 55 LYS HG2 . 11272 1 658 . 1 1 55 55 LYS HG3 H 1 1.528 0.030 . 2 . . . . 55 LYS HG3 . 11272 1 659 . 1 1 55 55 LYS C C 13 176.542 0.300 . 1 . . . . 55 LYS C . 11272 1 660 . 1 1 55 55 LYS CA C 13 60.770 0.300 . 1 . . . . 55 LYS CA . 11272 1 661 . 1 1 55 55 LYS CB C 13 33.607 0.300 . 1 . . . . 55 LYS CB . 11272 1 662 . 1 1 55 55 LYS CD C 13 29.550 0.300 . 1 . . . . 55 LYS CD . 11272 1 663 . 1 1 55 55 LYS CE C 13 42.089 0.300 . 1 . . . . 55 LYS CE . 11272 1 664 . 1 1 55 55 LYS CG C 13 25.152 0.300 . 1 . . . . 55 LYS CG . 11272 1 665 . 1 1 55 55 LYS N N 15 121.306 0.300 . 1 . . . . 55 LYS N . 11272 1 666 . 1 1 56 56 ASP H H 1 7.359 0.030 . 1 . . . . 56 ASP H . 11272 1 667 . 1 1 56 56 ASP HA H 1 4.529 0.030 . 1 . . . . 56 ASP HA . 11272 1 668 . 1 1 56 56 ASP HB2 H 1 2.926 0.030 . 2 . . . . 56 ASP HB2 . 11272 1 669 . 1 1 56 56 ASP HB3 H 1 3.059 0.030 . 2 . . . . 56 ASP HB3 . 11272 1 670 . 1 1 56 56 ASP C C 13 174.604 0.300 . 1 . . . . 56 ASP C . 11272 1 671 . 1 1 56 56 ASP CA C 13 52.999 0.300 . 1 . . . . 56 ASP CA . 11272 1 672 . 1 1 56 56 ASP CB C 13 42.203 0.300 . 1 . . . . 56 ASP CB . 11272 1 673 . 1 1 56 56 ASP N N 15 108.631 0.300 . 1 . . . . 56 ASP N . 11272 1 674 . 1 1 57 57 TYR H H 1 8.477 0.030 . 1 . . . . 57 TYR H . 11272 1 675 . 1 1 57 57 TYR HA H 1 3.343 0.030 . 1 . . . . 57 TYR HA . 11272 1 676 . 1 1 57 57 TYR HB2 H 1 2.343 0.030 . 1 . . . . 57 TYR HB2 . 11272 1 677 . 1 1 57 57 TYR HB3 H 1 2.343 0.030 . 1 . . . . 57 TYR HB3 . 11272 1 678 . 1 1 57 57 TYR HD1 H 1 6.652 0.030 . 1 . . . . 57 TYR HD1 . 11272 1 679 . 1 1 57 57 TYR HD2 H 1 6.652 0.030 . 1 . . . . 57 TYR HD2 . 11272 1 680 . 1 1 57 57 TYR HE1 H 1 6.741 0.030 . 1 . . . . 57 TYR HE1 . 11272 1 681 . 1 1 57 57 TYR HE2 H 1 6.741 0.030 . 1 . . . . 57 TYR HE2 . 11272 1 682 . 1 1 57 57 TYR C C 13 175.985 0.300 . 1 . . . . 57 TYR C . 11272 1 683 . 1 1 57 57 TYR CA C 13 60.188 0.300 . 1 . . . . 57 TYR CA . 11272 1 684 . 1 1 57 57 TYR CB C 13 38.244 0.300 . 1 . . . . 57 TYR CB . 11272 1 685 . 1 1 57 57 TYR CD1 C 13 133.001 0.300 . 1 . . . . 57 TYR CD1 . 11272 1 686 . 1 1 57 57 TYR CD2 C 13 133.001 0.300 . 1 . . . . 57 TYR CD2 . 11272 1 687 . 1 1 57 57 TYR CE1 C 13 117.851 0.300 . 1 . . . . 57 TYR CE1 . 11272 1 688 . 1 1 57 57 TYR CE2 C 13 117.851 0.300 . 1 . . . . 57 TYR CE2 . 11272 1 689 . 1 1 57 57 TYR N N 15 118.490 0.300 . 1 . . . . 57 TYR N . 11272 1 690 . 1 1 58 58 GLN H H 1 8.078 0.030 . 1 . . . . 58 GLN H . 11272 1 691 . 1 1 58 58 GLN HA H 1 3.894 0.030 . 1 . . . . 58 GLN HA . 11272 1 692 . 1 1 58 58 GLN HB2 H 1 1.994 0.030 . 1 . . . . 58 GLN HB2 . 11272 1 693 . 1 1 58 58 GLN HB3 H 1 1.994 0.030 . 1 . . . . 58 GLN HB3 . 11272 1 694 . 1 1 58 58 GLN HE21 H 1 6.825 0.030 . 2 . . . . 58 GLN HE21 . 11272 1 695 . 1 1 58 58 GLN HE22 H 1 7.504 0.030 . 2 . . . . 58 GLN HE22 . 11272 1 696 . 1 1 58 58 GLN HG2 H 1 2.197 0.030 . 2 . . . . 58 GLN HG2 . 11272 1 697 . 1 1 58 58 GLN HG3 H 1 2.259 0.030 . 2 . . . . 58 GLN HG3 . 11272 1 698 . 1 1 58 58 GLN C C 13 177.148 0.300 . 1 . . . . 58 GLN C . 11272 1 699 . 1 1 58 58 GLN CA C 13 57.725 0.300 . 1 . . . . 58 GLN CA . 11272 1 700 . 1 1 58 58 GLN CB C 13 28.390 0.300 . 1 . . . . 58 GLN CB . 11272 1 701 . 1 1 58 58 GLN CG C 13 34.113 0.300 . 1 . . . . 58 GLN CG . 11272 1 702 . 1 1 58 58 GLN N N 15 116.598 0.300 . 1 . . . . 58 GLN N . 11272 1 703 . 1 1 58 58 GLN NE2 N 15 112.087 0.300 . 1 . . . . 58 GLN NE2 . 11272 1 704 . 1 1 59 59 SER H H 1 8.589 0.030 . 1 . . . . 59 SER H . 11272 1 705 . 1 1 59 59 SER HA H 1 4.241 0.030 . 1 . . . . 59 SER HA . 11272 1 706 . 1 1 59 59 SER HB2 H 1 3.966 0.030 . 2 . . . . 59 SER HB2 . 11272 1 707 . 1 1 59 59 SER HB3 H 1 4.060 0.030 . 2 . . . . 59 SER HB3 . 11272 1 708 . 1 1 59 59 SER C C 13 175.089 0.300 . 1 . . . . 59 SER C . 11272 1 709 . 1 1 59 59 SER CA C 13 60.108 0.300 . 1 . . . . 59 SER CA . 11272 1 710 . 1 1 59 59 SER CB C 13 63.909 0.300 . 1 . . . . 59 SER CB . 11272 1 711 . 1 1 59 59 SER N N 15 115.632 0.300 . 1 . . . . 59 SER N . 11272 1 712 . 1 1 60 60 GLN H H 1 7.841 0.030 . 1 . . . . 60 GLN H . 11272 1 713 . 1 1 60 60 GLN HA H 1 3.842 0.030 . 1 . . . . 60 GLN HA . 11272 1 714 . 1 1 60 60 GLN HB2 H 1 2.017 0.030 . 2 . . . . 60 GLN HB2 . 11272 1 715 . 1 1 60 60 GLN HB3 H 1 2.259 0.030 . 2 . . . . 60 GLN HB3 . 11272 1 716 . 1 1 60 60 GLN HE21 H 1 7.174 0.030 . 2 . . . . 60 GLN HE21 . 11272 1 717 . 1 1 60 60 GLN HE22 H 1 6.312 0.030 . 2 . . . . 60 GLN HE22 . 11272 1 718 . 1 1 60 60 GLN HG2 H 1 2.053 0.030 . 2 . . . . 60 GLN HG2 . 11272 1 719 . 1 1 60 60 GLN HG3 H 1 2.211 0.030 . 2 . . . . 60 GLN HG3 . 11272 1 720 . 1 1 60 60 GLN C C 13 174.507 0.300 . 1 . . . . 60 GLN C . 11272 1 721 . 1 1 60 60 GLN CA C 13 56.916 0.300 . 1 . . . . 60 GLN CA . 11272 1 722 . 1 1 60 60 GLN CB C 13 27.157 0.300 . 1 . . . . 60 GLN CB . 11272 1 723 . 1 1 60 60 GLN CG C 13 33.801 0.300 . 1 . . . . 60 GLN CG . 11272 1 724 . 1 1 60 60 GLN N N 15 116.939 0.300 . 1 . . . . 60 GLN N . 11272 1 725 . 1 1 60 60 GLN NE2 N 15 111.665 0.300 . 1 . . . . 60 GLN NE2 . 11272 1 726 . 1 1 61 61 GLU H H 1 7.768 0.030 . 1 . . . . 61 GLU H . 11272 1 727 . 1 1 61 61 GLU HA H 1 4.640 0.030 . 1 . . . . 61 GLU HA . 11272 1 728 . 1 1 61 61 GLU HB2 H 1 1.915 0.030 . 2 . . . . 61 GLU HB2 . 11272 1 729 . 1 1 61 61 GLU HB3 H 1 1.984 0.030 . 2 . . . . 61 GLU HB3 . 11272 1 730 . 1 1 61 61 GLU HG2 H 1 2.265 0.030 . 2 . . . . 61 GLU HG2 . 11272 1 731 . 1 1 61 61 GLU HG3 H 1 2.199 0.030 . 2 . . . . 61 GLU HG3 . 11272 1 732 . 1 1 61 61 GLU C C 13 173.805 0.300 . 1 . . . . 61 GLU C . 11272 1 733 . 1 1 61 61 GLU CA C 13 54.067 0.300 . 1 . . . . 61 GLU CA . 11272 1 734 . 1 1 61 61 GLU CB C 13 30.997 0.300 . 1 . . . . 61 GLU CB . 11272 1 735 . 1 1 61 61 GLU CG C 13 35.663 0.300 . 1 . . . . 61 GLU CG . 11272 1 736 . 1 1 61 61 GLU N N 15 119.921 0.300 . 1 . . . . 61 GLU N . 11272 1 737 . 1 1 62 62 PRO HA H 1 4.638 0.030 . 1 . . . . 62 PRO HA . 11272 1 738 . 1 1 62 62 PRO HB2 H 1 2.040 0.030 . 2 . . . . 62 PRO HB2 . 11272 1 739 . 1 1 62 62 PRO HB3 H 1 2.270 0.030 . 2 . . . . 62 PRO HB3 . 11272 1 740 . 1 1 62 62 PRO HD2 H 1 4.177 0.030 . 2 . . . . 62 PRO HD2 . 11272 1 741 . 1 1 62 62 PRO HD3 H 1 3.754 0.030 . 2 . . . . 62 PRO HD3 . 11272 1 742 . 1 1 62 62 PRO HG2 H 1 1.955 0.030 . 2 . . . . 62 PRO HG2 . 11272 1 743 . 1 1 62 62 PRO HG3 H 1 2.186 0.030 . 2 . . . . 62 PRO HG3 . 11272 1 744 . 1 1 62 62 PRO C C 13 177.148 0.300 . 1 . . . . 62 PRO C . 11272 1 745 . 1 1 62 62 PRO CA C 13 62.899 0.300 . 1 . . . . 62 PRO CA . 11272 1 746 . 1 1 62 62 PRO CB C 13 32.419 0.300 . 1 . . . . 62 PRO CB . 11272 1 747 . 1 1 62 62 PRO CD C 13 51.051 0.300 . 1 . . . . 62 PRO CD . 11272 1 748 . 1 1 62 62 PRO CG C 13 27.724 0.300 . 1 . . . . 62 PRO CG . 11272 1 749 . 1 1 63 63 LEU H H 1 7.952 0.030 . 1 . . . . 63 LEU H . 11272 1 750 . 1 1 63 63 LEU HA H 1 4.332 0.030 . 1 . . . . 63 LEU HA . 11272 1 751 . 1 1 63 63 LEU HB2 H 1 1.432 0.030 . 2 . . . . 63 LEU HB2 . 11272 1 752 . 1 1 63 63 LEU HB3 H 1 1.074 0.030 . 2 . . . . 63 LEU HB3 . 11272 1 753 . 1 1 63 63 LEU HD11 H 1 0.841 0.030 . 1 . . . . 63 LEU HD1 . 11272 1 754 . 1 1 63 63 LEU HD12 H 1 0.841 0.030 . 1 . . . . 63 LEU HD1 . 11272 1 755 . 1 1 63 63 LEU HD13 H 1 0.841 0.030 . 1 . . . . 63 LEU HD1 . 11272 1 756 . 1 1 63 63 LEU HD21 H 1 0.647 0.030 . 1 . . . . 63 LEU HD2 . 11272 1 757 . 1 1 63 63 LEU HD22 H 1 0.647 0.030 . 1 . . . . 63 LEU HD2 . 11272 1 758 . 1 1 63 63 LEU HD23 H 1 0.647 0.030 . 1 . . . . 63 LEU HD2 . 11272 1 759 . 1 1 63 63 LEU HG H 1 1.543 0.030 . 1 . . . . 63 LEU HG . 11272 1 760 . 1 1 63 63 LEU C C 13 176.687 0.300 . 1 . . . . 63 LEU C . 11272 1 761 . 1 1 63 63 LEU CA C 13 54.095 0.300 . 1 . . . . 63 LEU CA . 11272 1 762 . 1 1 63 63 LEU CB C 13 43.165 0.300 . 1 . . . . 63 LEU CB . 11272 1 763 . 1 1 63 63 LEU CD1 C 13 23.607 0.300 . 2 . . . . 63 LEU CD1 . 11272 1 764 . 1 1 63 63 LEU CD2 C 13 26.978 0.300 . 2 . . . . 63 LEU CD2 . 11272 1 765 . 1 1 63 63 LEU CG C 13 27.241 0.300 . 1 . . . . 63 LEU CG . 11272 1 766 . 1 1 63 63 LEU N N 15 122.046 0.300 . 1 . . . . 63 LEU N . 11272 1 767 . 1 1 64 64 ASP H H 1 8.123 0.030 . 1 . . . . 64 ASP H . 11272 1 768 . 1 1 64 64 ASP HA H 1 4.468 0.030 . 1 . . . . 64 ASP HA . 11272 1 769 . 1 1 64 64 ASP HB2 H 1 2.687 0.030 . 2 . . . . 64 ASP HB2 . 11272 1 770 . 1 1 64 64 ASP HB3 H 1 2.858 0.030 . 2 . . . . 64 ASP HB3 . 11272 1 771 . 1 1 64 64 ASP C C 13 176.203 0.300 . 1 . . . . 64 ASP C . 11272 1 772 . 1 1 64 64 ASP CA C 13 53.710 0.300 . 1 . . . . 64 ASP CA . 11272 1 773 . 1 1 64 64 ASP CB C 13 40.662 0.300 . 1 . . . . 64 ASP CB . 11272 1 774 . 1 1 64 64 ASP N N 15 121.374 0.300 . 1 . . . . 64 ASP N . 11272 1 775 . 1 1 65 65 LEU H H 1 8.330 0.030 . 1 . . . . 65 LEU H . 11272 1 776 . 1 1 65 65 LEU HA H 1 4.211 0.030 . 1 . . . . 65 LEU HA . 11272 1 777 . 1 1 65 65 LEU HB2 H 1 1.462 0.030 . 2 . . . . 65 LEU HB2 . 11272 1 778 . 1 1 65 65 LEU HB3 H 1 1.893 0.030 . 2 . . . . 65 LEU HB3 . 11272 1 779 . 1 1 65 65 LEU HD11 H 1 1.036 0.030 . 1 . . . . 65 LEU HD1 . 11272 1 780 . 1 1 65 65 LEU HD12 H 1 1.036 0.030 . 1 . . . . 65 LEU HD1 . 11272 1 781 . 1 1 65 65 LEU HD13 H 1 1.036 0.030 . 1 . . . . 65 LEU HD1 . 11272 1 782 . 1 1 65 65 LEU HD21 H 1 0.841 0.030 . 1 . . . . 65 LEU HD2 . 11272 1 783 . 1 1 65 65 LEU HD22 H 1 0.841 0.030 . 1 . . . . 65 LEU HD2 . 11272 1 784 . 1 1 65 65 LEU HD23 H 1 0.841 0.030 . 1 . . . . 65 LEU HD2 . 11272 1 785 . 1 1 65 65 LEU HG H 1 1.980 0.030 . 1 . . . . 65 LEU HG . 11272 1 786 . 1 1 65 65 LEU C C 13 177.559 0.300 . 1 . . . . 65 LEU C . 11272 1 787 . 1 1 65 65 LEU CA C 13 56.459 0.300 . 1 . . . . 65 LEU CA . 11272 1 788 . 1 1 65 65 LEU CB C 13 42.051 0.300 . 1 . . . . 65 LEU CB . 11272 1 789 . 1 1 65 65 LEU CD1 C 13 25.848 0.300 . 2 . . . . 65 LEU CD1 . 11272 1 790 . 1 1 65 65 LEU CD2 C 13 23.370 0.300 . 2 . . . . 65 LEU CD2 . 11272 1 791 . 1 1 65 65 LEU CG C 13 26.800 0.300 . 1 . . . . 65 LEU CG . 11272 1 792 . 1 1 65 65 LEU N N 15 124.833 0.300 . 1 . . . . 65 LEU N . 11272 1 793 . 1 1 66 66 THR H H 1 8.638 0.030 . 1 . . . . 66 THR H . 11272 1 794 . 1 1 66 66 THR HA H 1 4.428 0.030 . 1 . . . . 66 THR HA . 11272 1 795 . 1 1 66 66 THR HB H 1 4.399 0.030 . 1 . . . . 66 THR HB . 11272 1 796 . 1 1 66 66 THR HG21 H 1 1.327 0.030 . 1 . . . . 66 THR HG2 . 11272 1 797 . 1 1 66 66 THR HG22 H 1 1.327 0.030 . 1 . . . . 66 THR HG2 . 11272 1 798 . 1 1 66 66 THR HG23 H 1 1.327 0.030 . 1 . . . . 66 THR HG2 . 11272 1 799 . 1 1 66 66 THR C C 13 175.379 0.300 . 1 . . . . 66 THR C . 11272 1 800 . 1 1 66 66 THR CA C 13 62.915 0.300 . 1 . . . . 66 THR CA . 11272 1 801 . 1 1 66 66 THR CB C 13 69.756 0.300 . 1 . . . . 66 THR CB . 11272 1 802 . 1 1 66 66 THR CG2 C 13 21.793 0.300 . 1 . . . . 66 THR CG2 . 11272 1 803 . 1 1 66 66 THR N N 15 107.283 0.300 . 1 . . . . 66 THR N . 11272 1 804 . 1 1 67 67 LYS H H 1 7.600 0.030 . 1 . . . . 67 LYS H . 11272 1 805 . 1 1 67 67 LYS HA H 1 4.660 0.030 . 1 . . . . 67 LYS HA . 11272 1 806 . 1 1 67 67 LYS HB2 H 1 2.003 0.030 . 2 . . . . 67 LYS HB2 . 11272 1 807 . 1 1 67 67 LYS HB3 H 1 2.084 0.030 . 2 . . . . 67 LYS HB3 . 11272 1 808 . 1 1 67 67 LYS HD2 H 1 1.608 0.030 . 1 . . . . 67 LYS HD2 . 11272 1 809 . 1 1 67 67 LYS HD3 H 1 1.608 0.030 . 1 . . . . 67 LYS HD3 . 11272 1 810 . 1 1 67 67 LYS HE2 H 1 2.938 0.030 . 2 . . . . 67 LYS HE2 . 11272 1 811 . 1 1 67 67 LYS HE3 H 1 3.012 0.030 . 2 . . . . 67 LYS HE3 . 11272 1 812 . 1 1 67 67 LYS HG2 H 1 1.345 0.030 . 2 . . . . 67 LYS HG2 . 11272 1 813 . 1 1 67 67 LYS HG3 H 1 1.494 0.030 . 2 . . . . 67 LYS HG3 . 11272 1 814 . 1 1 67 67 LYS C C 13 174.943 0.300 . 1 . . . . 67 LYS C . 11272 1 815 . 1 1 67 67 LYS CA C 13 54.172 0.300 . 1 . . . . 67 LYS CA . 11272 1 816 . 1 1 67 67 LYS CB C 13 34.886 0.300 . 1 . . . . 67 LYS CB . 11272 1 817 . 1 1 67 67 LYS CD C 13 28.934 0.300 . 1 . . . . 67 LYS CD . 11272 1 818 . 1 1 67 67 LYS CE C 13 42.664 0.300 . 1 . . . . 67 LYS CE . 11272 1 819 . 1 1 67 67 LYS CG C 13 25.574 0.300 . 1 . . . . 67 LYS CG . 11272 1 820 . 1 1 67 67 LYS N N 15 122.600 0.300 . 1 . . . . 67 LYS N . 11272 1 821 . 1 1 68 68 SER H H 1 8.895 0.030 . 1 . . . . 68 SER H . 11272 1 822 . 1 1 68 68 SER HA H 1 4.991 0.030 . 1 . . . . 68 SER HA . 11272 1 823 . 1 1 68 68 SER HB2 H 1 3.490 0.030 . 2 . . . . 68 SER HB2 . 11272 1 824 . 1 1 68 68 SER HB3 H 1 4.233 0.030 . 2 . . . . 68 SER HB3 . 11272 1 825 . 1 1 68 68 SER C C 13 176.082 0.300 . 1 . . . . 68 SER C . 11272 1 826 . 1 1 68 68 SER CA C 13 55.720 0.300 . 1 . . . . 68 SER CA . 11272 1 827 . 1 1 68 68 SER CB C 13 67.625 0.300 . 1 . . . . 68 SER CB . 11272 1 828 . 1 1 68 68 SER N N 15 115.193 0.300 . 1 . . . . 68 SER N . 11272 1 829 . 1 1 69 69 LEU H H 1 9.374 0.030 . 1 . . . . 69 LEU H . 11272 1 830 . 1 1 69 69 LEU HA H 1 4.007 0.030 . 1 . . . . 69 LEU HA . 11272 1 831 . 1 1 69 69 LEU HB2 H 1 1.554 0.030 . 2 . . . . 69 LEU HB2 . 11272 1 832 . 1 1 69 69 LEU HB3 H 1 1.862 0.030 . 2 . . . . 69 LEU HB3 . 11272 1 833 . 1 1 69 69 LEU HD11 H 1 0.679 0.030 . 1 . . . . 69 LEU HD1 . 11272 1 834 . 1 1 69 69 LEU HD12 H 1 0.679 0.030 . 1 . . . . 69 LEU HD1 . 11272 1 835 . 1 1 69 69 LEU HD13 H 1 0.679 0.030 . 1 . . . . 69 LEU HD1 . 11272 1 836 . 1 1 69 69 LEU HD21 H 1 0.649 0.030 . 1 . . . . 69 LEU HD2 . 11272 1 837 . 1 1 69 69 LEU HD22 H 1 0.649 0.030 . 1 . . . . 69 LEU HD2 . 11272 1 838 . 1 1 69 69 LEU HD23 H 1 0.649 0.030 . 1 . . . . 69 LEU HD2 . 11272 1 839 . 1 1 69 69 LEU HG H 1 1.880 0.030 . 1 . . . . 69 LEU HG . 11272 1 840 . 1 1 69 69 LEU C C 13 180.636 0.300 . 1 . . . . 69 LEU C . 11272 1 841 . 1 1 69 69 LEU CA C 13 58.570 0.300 . 1 . . . . 69 LEU CA . 11272 1 842 . 1 1 69 69 LEU CB C 13 40.256 0.300 . 1 . . . . 69 LEU CB . 11272 1 843 . 1 1 69 69 LEU CD1 C 13 22.681 0.300 . 2 . . . . 69 LEU CD1 . 11272 1 844 . 1 1 69 69 LEU CD2 C 13 27.981 0.300 . 2 . . . . 69 LEU CD2 . 11272 1 845 . 1 1 69 69 LEU CG C 13 26.774 0.300 . 1 . . . . 69 LEU CG . 11272 1 846 . 1 1 69 69 LEU N N 15 118.911 0.300 . 1 . . . . 69 LEU N . 11272 1 847 . 1 1 70 70 ASN H H 1 8.323 0.030 . 1 . . . . 70 ASN H . 11272 1 848 . 1 1 70 70 ASN HA H 1 4.688 0.030 . 1 . . . . 70 ASN HA . 11272 1 849 . 1 1 70 70 ASN HB2 H 1 2.790 0.030 . 1 . . . . 70 ASN HB2 . 11272 1 850 . 1 1 70 70 ASN HB3 H 1 2.790 0.030 . 1 . . . . 70 ASN HB3 . 11272 1 851 . 1 1 70 70 ASN HD21 H 1 7.272 0.030 . 2 . . . . 70 ASN HD21 . 11272 1 852 . 1 1 70 70 ASN HD22 H 1 7.003 0.030 . 2 . . . . 70 ASN HD22 . 11272 1 853 . 1 1 70 70 ASN C C 13 178.698 0.300 . 1 . . . . 70 ASN C . 11272 1 854 . 1 1 70 70 ASN CA C 13 55.157 0.300 . 1 . . . . 70 ASN CA . 11272 1 855 . 1 1 70 70 ASN CB C 13 37.459 0.300 . 1 . . . . 70 ASN CB . 11272 1 856 . 1 1 70 70 ASN N N 15 117.774 0.300 . 1 . . . . 70 ASN N . 11272 1 857 . 1 1 70 70 ASN ND2 N 15 110.397 0.300 . 1 . . . . 70 ASN ND2 . 11272 1 858 . 1 1 71 71 ASP H H 1 8.339 0.030 . 1 . . . . 71 ASP H . 11272 1 859 . 1 1 71 71 ASP HA H 1 4.336 0.030 . 1 . . . . 71 ASP HA . 11272 1 860 . 1 1 71 71 ASP HB2 H 1 2.710 0.030 . 2 . . . . 71 ASP HB2 . 11272 1 861 . 1 1 71 71 ASP HB3 H 1 3.185 0.030 . 2 . . . . 71 ASP HB3 . 11272 1 862 . 1 1 71 71 ASP C C 13 178.746 0.300 . 1 . . . . 71 ASP C . 11272 1 863 . 1 1 71 71 ASP CA C 13 57.506 0.300 . 1 . . . . 71 ASP CA . 11272 1 864 . 1 1 71 71 ASP CB C 13 41.299 0.300 . 1 . . . . 71 ASP CB . 11272 1 865 . 1 1 71 71 ASP N N 15 122.784 0.300 . 1 . . . . 71 ASP N . 11272 1 866 . 1 1 72 72 LEU H H 1 7.889 0.030 . 1 . . . . 72 LEU H . 11272 1 867 . 1 1 72 72 LEU HA H 1 4.280 0.030 . 1 . . . . 72 LEU HA . 11272 1 868 . 1 1 72 72 LEU HB2 H 1 1.585 0.030 . 2 . . . . 72 LEU HB2 . 11272 1 869 . 1 1 72 72 LEU HB3 H 1 1.733 0.030 . 2 . . . . 72 LEU HB3 . 11272 1 870 . 1 1 72 72 LEU HD11 H 1 0.881 0.030 . 1 . . . . 72 LEU HD1 . 11272 1 871 . 1 1 72 72 LEU HD12 H 1 0.881 0.030 . 1 . . . . 72 LEU HD1 . 11272 1 872 . 1 1 72 72 LEU HD13 H 1 0.881 0.030 . 1 . . . . 72 LEU HD1 . 11272 1 873 . 1 1 72 72 LEU HD21 H 1 0.992 0.030 . 1 . . . . 72 LEU HD2 . 11272 1 874 . 1 1 72 72 LEU HD22 H 1 0.992 0.030 . 1 . . . . 72 LEU HD2 . 11272 1 875 . 1 1 72 72 LEU HD23 H 1 0.992 0.030 . 1 . . . . 72 LEU HD2 . 11272 1 876 . 1 1 72 72 LEU HG H 1 1.906 0.030 . 1 . . . . 72 LEU HG . 11272 1 877 . 1 1 72 72 LEU C C 13 177.414 0.300 . 1 . . . . 72 LEU C . 11272 1 878 . 1 1 72 72 LEU CA C 13 55.333 0.300 . 1 . . . . 72 LEU CA . 11272 1 879 . 1 1 72 72 LEU CB C 13 43.747 0.300 . 1 . . . . 72 LEU CB . 11272 1 880 . 1 1 72 72 LEU CD1 C 13 26.796 0.300 . 2 . . . . 72 LEU CD1 . 11272 1 881 . 1 1 72 72 LEU CD2 C 13 22.891 0.300 . 2 . . . . 72 LEU CD2 . 11272 1 882 . 1 1 72 72 LEU CG C 13 26.774 0.300 . 1 . . . . 72 LEU CG . 11272 1 883 . 1 1 72 72 LEU N N 15 116.403 0.300 . 1 . . . . 72 LEU N . 11272 1 884 . 1 1 73 73 GLY H H 1 8.051 0.030 . 1 . . . . 73 GLY H . 11272 1 885 . 1 1 73 73 GLY HA2 H 1 3.983 0.030 . 1 . . . . 73 GLY HA2 . 11272 1 886 . 1 1 73 73 GLY HA3 H 1 3.983 0.030 . 1 . . . . 73 GLY HA3 . 11272 1 887 . 1 1 73 73 GLY C C 13 174.653 0.300 . 1 . . . . 73 GLY C . 11272 1 888 . 1 1 73 73 GLY CA C 13 46.503 0.300 . 1 . . . . 73 GLY CA . 11272 1 889 . 1 1 73 73 GLY N N 15 109.876 0.300 . 1 . . . . 73 GLY N . 11272 1 890 . 1 1 74 74 LEU H H 1 7.486 0.030 . 1 . . . . 74 LEU H . 11272 1 891 . 1 1 74 74 LEU HA H 1 4.898 0.030 . 1 . . . . 74 LEU HA . 11272 1 892 . 1 1 74 74 LEU HB2 H 1 1.754 0.030 . 2 . . . . 74 LEU HB2 . 11272 1 893 . 1 1 74 74 LEU HB3 H 1 1.643 0.030 . 2 . . . . 74 LEU HB3 . 11272 1 894 . 1 1 74 74 LEU HD11 H 1 1.047 0.030 . 1 . . . . 74 LEU HD1 . 11272 1 895 . 1 1 74 74 LEU HD12 H 1 1.047 0.030 . 1 . . . . 74 LEU HD1 . 11272 1 896 . 1 1 74 74 LEU HD13 H 1 1.047 0.030 . 1 . . . . 74 LEU HD1 . 11272 1 897 . 1 1 74 74 LEU HD21 H 1 1.013 0.030 . 1 . . . . 74 LEU HD2 . 11272 1 898 . 1 1 74 74 LEU HD22 H 1 1.013 0.030 . 1 . . . . 74 LEU HD2 . 11272 1 899 . 1 1 74 74 LEU HD23 H 1 1.013 0.030 . 1 . . . . 74 LEU HD2 . 11272 1 900 . 1 1 74 74 LEU HG H 1 1.639 0.030 . 1 . . . . 74 LEU HG . 11272 1 901 . 1 1 74 74 LEU C C 13 177.778 0.300 . 1 . . . . 74 LEU C . 11272 1 902 . 1 1 74 74 LEU CA C 13 54.031 0.300 . 1 . . . . 74 LEU CA . 11272 1 903 . 1 1 74 74 LEU CB C 13 46.630 0.300 . 1 . . . . 74 LEU CB . 11272 1 904 . 1 1 74 74 LEU CD1 C 13 23.205 0.300 . 2 . . . . 74 LEU CD1 . 11272 1 905 . 1 1 74 74 LEU CD2 C 13 26.385 0.300 . 2 . . . . 74 LEU CD2 . 11272 1 906 . 1 1 74 74 LEU CG C 13 26.311 0.300 . 1 . . . . 74 LEU CG . 11272 1 907 . 1 1 74 74 LEU N N 15 116.460 0.300 . 1 . . . . 74 LEU N . 11272 1 908 . 1 1 75 75 ARG H H 1 9.127 0.030 . 1 . . . . 75 ARG H . 11272 1 909 . 1 1 75 75 ARG HA H 1 4.396 0.030 . 1 . . . . 75 ARG HA . 11272 1 910 . 1 1 75 75 ARG HB2 H 1 1.734 0.030 . 2 . . . . 75 ARG HB2 . 11272 1 911 . 1 1 75 75 ARG HB3 H 1 2.438 0.030 . 2 . . . . 75 ARG HB3 . 11272 1 912 . 1 1 75 75 ARG HD2 H 1 3.111 0.030 . 2 . . . . 75 ARG HD2 . 11272 1 913 . 1 1 75 75 ARG HD3 H 1 3.389 0.030 . 2 . . . . 75 ARG HD3 . 11272 1 914 . 1 1 75 75 ARG HG2 H 1 1.740 0.030 . 2 . . . . 75 ARG HG2 . 11272 1 915 . 1 1 75 75 ARG HG3 H 1 1.558 0.030 . 2 . . . . 75 ARG HG3 . 11272 1 916 . 1 1 75 75 ARG C C 13 173.974 0.300 . 1 . . . . 75 ARG C . 11272 1 917 . 1 1 75 75 ARG CA C 13 53.989 0.300 . 1 . . . . 75 ARG CA . 11272 1 918 . 1 1 75 75 ARG CB C 13 31.104 0.300 . 1 . . . . 75 ARG CB . 11272 1 919 . 1 1 75 75 ARG CD C 13 42.666 0.300 . 1 . . . . 75 ARG CD . 11272 1 920 . 1 1 75 75 ARG CG C 13 26.714 0.300 . 1 . . . . 75 ARG CG . 11272 1 921 . 1 1 75 75 ARG N N 15 118.379 0.300 . 1 . . . . 75 ARG N . 11272 1 922 . 1 1 76 76 GLU H H 1 7.576 0.030 . 1 . . . . 76 GLU H . 11272 1 923 . 1 1 76 76 GLU HA H 1 5.685 0.030 . 1 . . . . 76 GLU HA . 11272 1 924 . 1 1 76 76 GLU HB2 H 1 2.128 0.030 . 2 . . . . 76 GLU HB2 . 11272 1 925 . 1 1 76 76 GLU HB3 H 1 2.031 0.030 . 2 . . . . 76 GLU HB3 . 11272 1 926 . 1 1 76 76 GLU HG2 H 1 2.321 0.030 . 1 . . . . 76 GLU HG2 . 11272 1 927 . 1 1 76 76 GLU HG3 H 1 2.321 0.030 . 1 . . . . 76 GLU HG3 . 11272 1 928 . 1 1 76 76 GLU C C 13 173.853 0.300 . 1 . . . . 76 GLU C . 11272 1 929 . 1 1 76 76 GLU CA C 13 54.911 0.300 . 1 . . . . 76 GLU CA . 11272 1 930 . 1 1 76 76 GLU CB C 13 33.033 0.300 . 1 . . . . 76 GLU CB . 11272 1 931 . 1 1 76 76 GLU CG C 13 35.336 0.300 . 1 . . . . 76 GLU CG . 11272 1 932 . 1 1 76 76 GLU N N 15 120.467 0.300 . 1 . . . . 76 GLU N . 11272 1 933 . 1 1 77 77 LEU H H 1 8.634 0.030 . 1 . . . . 77 LEU H . 11272 1 934 . 1 1 77 77 LEU HA H 1 4.924 0.030 . 1 . . . . 77 LEU HA . 11272 1 935 . 1 1 77 77 LEU HB2 H 1 1.810 0.030 . 2 . . . . 77 LEU HB2 . 11272 1 936 . 1 1 77 77 LEU HB3 H 1 1.926 0.030 . 2 . . . . 77 LEU HB3 . 11272 1 937 . 1 1 77 77 LEU HD11 H 1 0.777 0.030 . 1 . . . . 77 LEU HD1 . 11272 1 938 . 1 1 77 77 LEU HD12 H 1 0.777 0.030 . 1 . . . . 77 LEU HD1 . 11272 1 939 . 1 1 77 77 LEU HD13 H 1 0.777 0.030 . 1 . . . . 77 LEU HD1 . 11272 1 940 . 1 1 77 77 LEU HD21 H 1 0.646 0.030 . 1 . . . . 77 LEU HD2 . 11272 1 941 . 1 1 77 77 LEU HD22 H 1 0.646 0.030 . 1 . . . . 77 LEU HD2 . 11272 1 942 . 1 1 77 77 LEU HD23 H 1 0.646 0.030 . 1 . . . . 77 LEU HD2 . 11272 1 943 . 1 1 77 77 LEU HG H 1 1.495 0.030 . 1 . . . . 77 LEU HG . 11272 1 944 . 1 1 77 77 LEU C C 13 173.853 0.300 . 1 . . . . 77 LEU C . 11272 1 945 . 1 1 77 77 LEU CA C 13 55.087 0.300 . 1 . . . . 77 LEU CA . 11272 1 946 . 1 1 77 77 LEU CB C 13 43.946 0.300 . 1 . . . . 77 LEU CB . 11272 1 947 . 1 1 77 77 LEU CD1 C 13 26.878 0.300 . 2 . . . . 77 LEU CD1 . 11272 1 948 . 1 1 77 77 LEU CD2 C 13 27.010 0.300 . 2 . . . . 77 LEU CD2 . 11272 1 949 . 1 1 77 77 LEU CG C 13 26.080 0.300 . 1 . . . . 77 LEU CG . 11272 1 950 . 1 1 77 77 LEU N N 15 118.274 0.300 . 1 . . . . 77 LEU N . 11272 1 951 . 1 1 78 78 TYR H H 1 9.060 0.030 . 1 . . . . 78 TYR H . 11272 1 952 . 1 1 78 78 TYR HA H 1 5.446 0.030 . 1 . . . . 78 TYR HA . 11272 1 953 . 1 1 78 78 TYR HB2 H 1 2.612 0.030 . 2 . . . . 78 TYR HB2 . 11272 1 954 . 1 1 78 78 TYR HB3 H 1 2.775 0.030 . 2 . . . . 78 TYR HB3 . 11272 1 955 . 1 1 78 78 TYR HD1 H 1 6.932 0.030 . 1 . . . . 78 TYR HD1 . 11272 1 956 . 1 1 78 78 TYR HD2 H 1 6.932 0.030 . 1 . . . . 78 TYR HD2 . 11272 1 957 . 1 1 78 78 TYR HE1 H 1 6.618 0.030 . 1 . . . . 78 TYR HE1 . 11272 1 958 . 1 1 78 78 TYR HE2 H 1 6.618 0.030 . 1 . . . . 78 TYR HE2 . 11272 1 959 . 1 1 78 78 TYR C C 13 173.030 0.300 . 1 . . . . 78 TYR C . 11272 1 960 . 1 1 78 78 TYR CA C 13 56.529 0.300 . 1 . . . . 78 TYR CA . 11272 1 961 . 1 1 78 78 TYR CB C 13 41.537 0.300 . 1 . . . . 78 TYR CB . 11272 1 962 . 1 1 78 78 TYR CD1 C 13 133.091 0.300 . 1 . . . . 78 TYR CD1 . 11272 1 963 . 1 1 78 78 TYR CD2 C 13 133.091 0.300 . 1 . . . . 78 TYR CD2 . 11272 1 964 . 1 1 78 78 TYR CE1 C 13 117.366 0.300 . 1 . . . . 78 TYR CE1 . 11272 1 965 . 1 1 78 78 TYR CE2 C 13 117.366 0.300 . 1 . . . . 78 TYR CE2 . 11272 1 966 . 1 1 78 78 TYR N N 15 121.831 0.300 . 1 . . . . 78 TYR N . 11272 1 967 . 1 1 79 79 ALA H H 1 8.399 0.030 . 1 . . . . 79 ALA H . 11272 1 968 . 1 1 79 79 ALA HA H 1 4.973 0.030 . 1 . . . . 79 ALA HA . 11272 1 969 . 1 1 79 79 ALA HB1 H 1 0.868 0.030 . 1 . . . . 79 ALA HB . 11272 1 970 . 1 1 79 79 ALA HB2 H 1 0.868 0.030 . 1 . . . . 79 ALA HB . 11272 1 971 . 1 1 79 79 ALA HB3 H 1 0.868 0.030 . 1 . . . . 79 ALA HB . 11272 1 972 . 1 1 79 79 ALA C C 13 173.393 0.300 . 1 . . . . 79 ALA C . 11272 1 973 . 1 1 79 79 ALA CA C 13 49.928 0.300 . 1 . . . . 79 ALA CA . 11272 1 974 . 1 1 79 79 ALA CB C 13 20.173 0.300 . 1 . . . . 79 ALA CB . 11272 1 975 . 1 1 79 79 ALA N N 15 131.188 0.300 . 1 . . . . 79 ALA N . 11272 1 976 . 1 1 80 80 MET H H 1 9.163 0.030 . 1 . . . . 80 MET H . 11272 1 977 . 1 1 80 80 MET HA H 1 4.619 0.030 . 1 . . . . 80 MET HA . 11272 1 978 . 1 1 80 80 MET HB2 H 1 2.351 0.030 . 2 . . . . 80 MET HB2 . 11272 1 979 . 1 1 80 80 MET HB3 H 1 2.010 0.030 . 2 . . . . 80 MET HB3 . 11272 1 980 . 1 1 80 80 MET HE1 H 1 2.124 0.030 . 1 . . . . 80 MET HE . 11272 1 981 . 1 1 80 80 MET HE2 H 1 2.124 0.030 . 1 . . . . 80 MET HE . 11272 1 982 . 1 1 80 80 MET HE3 H 1 2.124 0.030 . 1 . . . . 80 MET HE . 11272 1 983 . 1 1 80 80 MET HG2 H 1 2.712 0.030 . 2 . . . . 80 MET HG2 . 11272 1 984 . 1 1 80 80 MET HG3 H 1 2.335 0.030 . 2 . . . . 80 MET HG3 . 11272 1 985 . 1 1 80 80 MET C C 13 173.563 0.300 . 1 . . . . 80 MET C . 11272 1 986 . 1 1 80 80 MET CA C 13 54.934 0.300 . 1 . . . . 80 MET CA . 11272 1 987 . 1 1 80 80 MET CB C 13 36.695 0.300 . 1 . . . . 80 MET CB . 11272 1 988 . 1 1 80 80 MET CE C 13 17.977 0.300 . 1 . . . . 80 MET CE . 11272 1 989 . 1 1 80 80 MET CG C 13 32.112 0.300 . 1 . . . . 80 MET CG . 11272 1 990 . 1 1 80 80 MET N N 15 124.187 0.300 . 1 . . . . 80 MET N . 11272 1 991 . 1 1 81 81 ASP H H 1 8.440 0.030 . 1 . . . . 81 ASP H . 11272 1 992 . 1 1 81 81 ASP HA H 1 4.775 0.030 . 1 . . . . 81 ASP HA . 11272 1 993 . 1 1 81 81 ASP HB2 H 1 2.009 0.030 . 2 . . . . 81 ASP HB2 . 11272 1 994 . 1 1 81 81 ASP HB3 H 1 2.222 0.030 . 2 . . . . 81 ASP HB3 . 11272 1 995 . 1 1 81 81 ASP C C 13 176.784 0.300 . 1 . . . . 81 ASP C . 11272 1 996 . 1 1 81 81 ASP CA C 13 52.976 0.300 . 1 . . . . 81 ASP CA . 11272 1 997 . 1 1 81 81 ASP CB C 13 40.217 0.300 . 1 . . . . 81 ASP CB . 11272 1 998 . 1 1 81 81 ASP N N 15 127.082 0.300 . 1 . . . . 81 ASP N . 11272 1 999 . 1 1 82 82 VAL H H 1 8.336 0.030 . 1 . . . . 82 VAL H . 11272 1 1000 . 1 1 82 82 VAL HA H 1 4.129 0.030 . 1 . . . . 82 VAL HA . 11272 1 1001 . 1 1 82 82 VAL HB H 1 2.222 0.030 . 1 . . . . 82 VAL HB . 11272 1 1002 . 1 1 82 82 VAL HG11 H 1 0.944 0.030 . 1 . . . . 82 VAL HG1 . 11272 1 1003 . 1 1 82 82 VAL HG12 H 1 0.944 0.030 . 1 . . . . 82 VAL HG1 . 11272 1 1004 . 1 1 82 82 VAL HG13 H 1 0.944 0.030 . 1 . . . . 82 VAL HG1 . 11272 1 1005 . 1 1 82 82 VAL HG21 H 1 0.976 0.030 . 1 . . . . 82 VAL HG2 . 11272 1 1006 . 1 1 82 82 VAL HG22 H 1 0.976 0.030 . 1 . . . . 82 VAL HG2 . 11272 1 1007 . 1 1 82 82 VAL HG23 H 1 0.976 0.030 . 1 . . . . 82 VAL HG2 . 11272 1 1008 . 1 1 82 82 VAL C C 13 176.591 0.300 . 1 . . . . 82 VAL C . 11272 1 1009 . 1 1 82 82 VAL CA C 13 63.178 0.300 . 1 . . . . 82 VAL CA . 11272 1 1010 . 1 1 82 82 VAL CB C 13 32.255 0.300 . 1 . . . . 82 VAL CB . 11272 1 1011 . 1 1 82 82 VAL CG1 C 13 19.890 0.300 . 2 . . . . 82 VAL CG1 . 11272 1 1012 . 1 1 82 82 VAL CG2 C 13 21.810 0.300 . 2 . . . . 82 VAL CG2 . 11272 1 1013 . 1 1 82 82 VAL N N 15 121.322 0.300 . 1 . . . . 82 VAL N . 11272 1 1014 . 1 1 83 83 ASN H H 1 8.575 0.030 . 1 . . . . 83 ASN H . 11272 1 1015 . 1 1 83 83 ASN HA H 1 4.642 0.030 . 1 . . . . 83 ASN HA . 11272 1 1016 . 1 1 83 83 ASN HB2 H 1 2.739 0.030 . 2 . . . . 83 ASN HB2 . 11272 1 1017 . 1 1 83 83 ASN HB3 H 1 2.782 0.030 . 2 . . . . 83 ASN HB3 . 11272 1 1018 . 1 1 83 83 ASN HD21 H 1 7.654 0.030 . 2 . . . . 83 ASN HD21 . 11272 1 1019 . 1 1 83 83 ASN HD22 H 1 6.486 0.030 . 2 . . . . 83 ASN HD22 . 11272 1 1020 . 1 1 83 83 ASN C C 13 176.009 0.300 . 1 . . . . 83 ASN C . 11272 1 1021 . 1 1 83 83 ASN CA C 13 54.172 0.300 . 1 . . . . 83 ASN CA . 11272 1 1022 . 1 1 83 83 ASN CB C 13 38.601 0.300 . 1 . . . . 83 ASN CB . 11272 1 1023 . 1 1 83 83 ASN N N 15 119.443 0.300 . 1 . . . . 83 ASN N . 11272 1 1024 . 1 1 83 83 ASN ND2 N 15 112.710 0.300 . 1 . . . . 83 ASN ND2 . 11272 1 1025 . 1 1 84 84 ARG H H 1 7.937 0.030 . 1 . . . . 84 ARG H . 11272 1 1026 . 1 1 84 84 ARG HA H 1 4.401 0.030 . 1 . . . . 84 ARG HA . 11272 1 1027 . 1 1 84 84 ARG HB2 H 1 1.688 0.030 . 2 . . . . 84 ARG HB2 . 11272 1 1028 . 1 1 84 84 ARG HB3 H 1 1.929 0.030 . 2 . . . . 84 ARG HB3 . 11272 1 1029 . 1 1 84 84 ARG HD2 H 1 3.197 0.030 . 1 . . . . 84 ARG HD2 . 11272 1 1030 . 1 1 84 84 ARG HD3 H 1 3.197 0.030 . 1 . . . . 84 ARG HD3 . 11272 1 1031 . 1 1 84 84 ARG HG2 H 1 1.558 0.030 . 1 . . . . 84 ARG HG2 . 11272 1 1032 . 1 1 84 84 ARG HG3 H 1 1.558 0.030 . 1 . . . . 84 ARG HG3 . 11272 1 1033 . 1 1 84 84 ARG C C 13 176.445 0.300 . 1 . . . . 84 ARG C . 11272 1 1034 . 1 1 84 84 ARG CA C 13 56.213 0.300 . 1 . . . . 84 ARG CA . 11272 1 1035 . 1 1 84 84 ARG CB C 13 31.791 0.300 . 1 . . . . 84 ARG CB . 11272 1 1036 . 1 1 84 84 ARG CD C 13 43.218 0.300 . 1 . . . . 84 ARG CD . 11272 1 1037 . 1 1 84 84 ARG CG C 13 27.236 0.300 . 1 . . . . 84 ARG CG . 11272 1 1038 . 1 1 84 84 ARG N N 15 119.391 0.300 . 1 . . . . 84 ARG N . 11272 1 1039 . 1 1 85 85 GLU H H 1 8.309 0.030 . 1 . . . . 85 GLU H . 11272 1 1040 . 1 1 85 85 GLU HA H 1 4.486 0.030 . 1 . . . . 85 GLU HA . 11272 1 1041 . 1 1 85 85 GLU HB2 H 1 2.195 0.030 . 2 . . . . 85 GLU HB2 . 11272 1 1042 . 1 1 85 85 GLU HB3 H 1 2.053 0.030 . 2 . . . . 85 GLU HB3 . 11272 1 1043 . 1 1 85 85 GLU HG2 H 1 2.338 0.030 . 1 . . . . 85 GLU HG2 . 11272 1 1044 . 1 1 85 85 GLU HG3 H 1 2.338 0.030 . 1 . . . . 85 GLU HG3 . 11272 1 1045 . 1 1 85 85 GLU C C 13 175.888 0.300 . 1 . . . . 85 GLU C . 11272 1 1046 . 1 1 85 85 GLU CA C 13 56.388 0.300 . 1 . . . . 85 GLU CA . 11272 1 1047 . 1 1 85 85 GLU CB C 13 31.245 0.300 . 1 . . . . 85 GLU CB . 11272 1 1048 . 1 1 85 85 GLU CG C 13 36.909 0.300 . 1 . . . . 85 GLU CG . 11272 1 1049 . 1 1 85 85 GLU N N 15 120.191 0.300 . 1 . . . . 85 GLU N . 11272 1 1050 . 1 1 86 86 SER H H 1 8.219 0.030 . 1 . . . . 86 SER H . 11272 1 1051 . 1 1 86 86 SER HA H 1 4.549 0.030 . 1 . . . . 86 SER HA . 11272 1 1052 . 1 1 86 86 SER HB2 H 1 3.907 0.030 . 1 . . . . 86 SER HB2 . 11272 1 1053 . 1 1 86 86 SER HB3 H 1 3.907 0.030 . 1 . . . . 86 SER HB3 . 11272 1 1054 . 1 1 86 86 SER C C 13 174.580 0.300 . 1 . . . . 86 SER C . 11272 1 1055 . 1 1 86 86 SER CA C 13 58.253 0.300 . 1 . . . . 86 SER CA . 11272 1 1056 . 1 1 86 86 SER CB C 13 64.402 0.300 . 1 . . . . 86 SER CB . 11272 1 1057 . 1 1 86 86 SER N N 15 115.711 0.300 . 1 . . . . 86 SER N . 11272 1 1058 . 1 1 87 87 GLY H H 1 8.327 0.030 . 1 . . . . 87 GLY H . 11272 1 1059 . 1 1 87 87 GLY HA2 H 1 4.160 0.030 . 2 . . . . 87 GLY HA2 . 11272 1 1060 . 1 1 87 87 GLY HA3 H 1 4.050 0.030 . 2 . . . . 87 GLY HA3 . 11272 1 1061 . 1 1 87 87 GLY C C 13 171.818 0.300 . 1 . . . . 87 GLY C . 11272 1 1062 . 1 1 87 87 GLY CA C 13 44.818 0.300 . 1 . . . . 87 GLY CA . 11272 1 1063 . 1 1 87 87 GLY N N 15 110.623 0.300 . 1 . . . . 87 GLY N . 11272 1 1064 . 1 1 88 88 PRO HA H 1 4.484 0.030 . 1 . . . . 88 PRO HA . 11272 1 1065 . 1 1 88 88 PRO HB2 H 1 2.287 0.030 . 2 . . . . 88 PRO HB2 . 11272 1 1066 . 1 1 88 88 PRO HB3 H 1 1.978 0.030 . 2 . . . . 88 PRO HB3 . 11272 1 1067 . 1 1 88 88 PRO HD2 H 1 3.490 0.030 . 2 . . . . 88 PRO HD2 . 11272 1 1068 . 1 1 88 88 PRO HD3 H 1 3.581 0.030 . 2 . . . . 88 PRO HD3 . 11272 1 1069 . 1 1 88 88 PRO HG2 H 1 1.995 0.030 . 1 . . . . 88 PRO HG2 . 11272 1 1070 . 1 1 88 88 PRO HG3 H 1 1.995 0.030 . 1 . . . . 88 PRO HG3 . 11272 1 1071 . 1 1 88 88 PRO C C 13 177.366 0.300 . 1 . . . . 88 PRO C . 11272 1 1072 . 1 1 88 88 PRO CA C 13 63.354 0.300 . 1 . . . . 88 PRO CA . 11272 1 1073 . 1 1 88 88 PRO CB C 13 32.172 0.300 . 1 . . . . 88 PRO CB . 11272 1 1074 . 1 1 88 88 PRO CD C 13 49.771 0.300 . 1 . . . . 88 PRO CD . 11272 1 1075 . 1 1 88 88 PRO CG C 13 27.207 0.300 . 1 . . . . 88 PRO CG . 11272 1 1076 . 1 1 89 89 SER H H 1 8.518 0.030 . 1 . . . . 89 SER H . 11272 1 1077 . 1 1 89 89 SER C C 13 174.798 0.300 . 1 . . . . 89 SER C . 11272 1 1078 . 1 1 89 89 SER CA C 13 58.394 0.300 . 1 . . . . 89 SER CA . 11272 1 1079 . 1 1 89 89 SER CB C 13 64.104 0.300 . 1 . . . . 89 SER CB . 11272 1 1080 . 1 1 89 89 SER N N 15 116.287 0.300 . 1 . . . . 89 SER N . 11272 1 stop_ save_