data_11254 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11254 _Entry.Title ; Solution Structure of a N-terminal Ubiquitin-like Domain in Mouse Tubulin-specific Chaperone B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-17 _Entry.Original_release_date 2011-08-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11254 2 T. Kigawa . . . 11254 3 K. Saito . . . 11254 4 S. Koshiba . . . 11254 5 M. Inoue . . . 11254 6 S. Yokoyama . . . 11254 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)' . 11254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 11254 '15N chemical shifts' 96 11254 '1H chemical shifts' 614 11254 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-17 2010-08-09 original author . 11254 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V6E 'BMRB Entry Tracking System' 11254 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11254 _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 a N-terminal Ubiquitin-like Domain in Mouse Tubulin-specific Chaperone B ; _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 . . . 11254 1 2 T. Kigawa . . . 11254 1 3 K. Saito . . . 11254 1 4 S. Koshiba . . . 11254 1 5 M. Inoue . . . 11254 1 6 S. Yokoyama . . . 11254 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11254 _Assembly.ID 1 _Assembly.Name 'cytoskeleton-associated protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11254 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 1v6e . . . . . . 11254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11254 _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 ; GSSGSSGVMVFISSSLNSFR SEKRYSRSLTIAEFKCKLEL VVGSPASCMELELYGADDKF YSKLDQEDALLGSYPVDDGC RIHVIDHSGSGPSSG ; _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 95 _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 1V6E . "Solution Structure Of A N-Terminal Ubiquitin-Like Domain In Mouse Tubulin-Specific Chaperone B" . . . . . 100.00 95 100.00 100.00 1.23e-59 . . . . 11254 1 2 no DBJ BAB22009 . "unnamed protein product [Mus musculus]" . . . . . 86.32 244 100.00 100.00 5.73e-50 . . . . 11254 1 3 no DBJ BAB22918 . "unnamed protein product [Mus musculus]" . . . . . 86.32 244 100.00 100.00 5.73e-50 . . . . 11254 1 4 no DBJ BAB26939 . "unnamed protein product [Mus musculus]" . . . . . 86.32 244 98.78 98.78 7.87e-49 . . . . 11254 1 5 no GB AAH10684 . "Tubulin folding cofactor B [Mus musculus]" . . . . . 86.32 244 100.00 100.00 5.73e-50 . . . . 11254 1 6 no GB EDL24039 . "cytoskeleton-associated protein 1, isoform CRA_a [Mus musculus]" . . . . . 86.32 244 100.00 100.00 5.73e-50 . . . . 11254 1 7 no GB EDL24040 . "cytoskeleton-associated protein 1, isoform CRA_b [Mus musculus]" . . . . . 86.32 244 100.00 100.00 5.73e-50 . . . . 11254 1 8 no GB ELK17774 . "Tubulin-folding cofactor B [Pteropus alecto]" . . . . . 87.37 244 97.59 98.80 2.33e-49 . . . . 11254 1 9 no REF NP_079824 . "tubulin-folding cofactor B [Mus musculus]" . . . . . 86.32 244 100.00 100.00 5.73e-50 . . . . 11254 1 10 no REF XP_005361319 . "PREDICTED: tubulin-folding cofactor B isoform X1 [Microtus ochrogaster]" . . . . . 86.32 244 97.56 98.78 8.76e-49 . . . . 11254 1 11 no REF XP_006906006 . "PREDICTED: tubulin-folding cofactor B isoform X1 [Pteropus alecto]" . . . . . 87.37 244 97.59 98.80 2.33e-49 . . . . 11254 1 12 no REF XP_007096876 . "PREDICTED: tubulin-folding cofactor B [Panthera tigris altaica]" . . . . . 87.37 244 97.59 98.80 2.25e-49 . . . . 11254 1 13 no REF XP_011380142 . "PREDICTED: tubulin-folding cofactor B isoform X1 [Pteropus vampyrus]" . . . . . 87.37 244 97.59 98.80 2.33e-49 . . . . 11254 1 14 no SP Q9D1E6 . "RecName: Full=Tubulin-folding cofactor B; AltName: Full=Cytoskeleton-associated protein 1; AltName: Full=Cytoskeleton-associate" . . . . . 86.32 244 100.00 100.00 5.73e-50 . . . . 11254 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ubiquitin-like domain' . 11254 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 . 11254 1 2 . SER . 11254 1 3 . SER . 11254 1 4 . GLY . 11254 1 5 . SER . 11254 1 6 . SER . 11254 1 7 . GLY . 11254 1 8 . VAL . 11254 1 9 . MET . 11254 1 10 . VAL . 11254 1 11 . PHE . 11254 1 12 . ILE . 11254 1 13 . SER . 11254 1 14 . SER . 11254 1 15 . SER . 11254 1 16 . LEU . 11254 1 17 . ASN . 11254 1 18 . SER . 11254 1 19 . PHE . 11254 1 20 . ARG . 11254 1 21 . SER . 11254 1 22 . GLU . 11254 1 23 . LYS . 11254 1 24 . ARG . 11254 1 25 . TYR . 11254 1 26 . SER . 11254 1 27 . ARG . 11254 1 28 . SER . 11254 1 29 . LEU . 11254 1 30 . THR . 11254 1 31 . ILE . 11254 1 32 . ALA . 11254 1 33 . GLU . 11254 1 34 . PHE . 11254 1 35 . LYS . 11254 1 36 . CYS . 11254 1 37 . LYS . 11254 1 38 . LEU . 11254 1 39 . GLU . 11254 1 40 . LEU . 11254 1 41 . VAL . 11254 1 42 . VAL . 11254 1 43 . GLY . 11254 1 44 . SER . 11254 1 45 . PRO . 11254 1 46 . ALA . 11254 1 47 . SER . 11254 1 48 . CYS . 11254 1 49 . MET . 11254 1 50 . GLU . 11254 1 51 . LEU . 11254 1 52 . GLU . 11254 1 53 . LEU . 11254 1 54 . TYR . 11254 1 55 . GLY . 11254 1 56 . ALA . 11254 1 57 . ASP . 11254 1 58 . ASP . 11254 1 59 . LYS . 11254 1 60 . PHE . 11254 1 61 . TYR . 11254 1 62 . SER . 11254 1 63 . LYS . 11254 1 64 . LEU . 11254 1 65 . ASP . 11254 1 66 . GLN . 11254 1 67 . GLU . 11254 1 68 . ASP . 11254 1 69 . ALA . 11254 1 70 . LEU . 11254 1 71 . LEU . 11254 1 72 . GLY . 11254 1 73 . SER . 11254 1 74 . TYR . 11254 1 75 . PRO . 11254 1 76 . VAL . 11254 1 77 . ASP . 11254 1 78 . ASP . 11254 1 79 . GLY . 11254 1 80 . CYS . 11254 1 81 . ARG . 11254 1 82 . ILE . 11254 1 83 . HIS . 11254 1 84 . VAL . 11254 1 85 . ILE . 11254 1 86 . ASP . 11254 1 87 . HIS . 11254 1 88 . SER . 11254 1 89 . GLY . 11254 1 90 . SER . 11254 1 91 . GLY . 11254 1 92 . PRO . 11254 1 93 . SER . 11254 1 94 . SER . 11254 1 95 . GLY . 11254 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 11254 1 . SER 2 2 11254 1 . SER 3 3 11254 1 . GLY 4 4 11254 1 . SER 5 5 11254 1 . SER 6 6 11254 1 . GLY 7 7 11254 1 . VAL 8 8 11254 1 . MET 9 9 11254 1 . VAL 10 10 11254 1 . PHE 11 11 11254 1 . ILE 12 12 11254 1 . SER 13 13 11254 1 . SER 14 14 11254 1 . SER 15 15 11254 1 . LEU 16 16 11254 1 . ASN 17 17 11254 1 . SER 18 18 11254 1 . PHE 19 19 11254 1 . ARG 20 20 11254 1 . SER 21 21 11254 1 . GLU 22 22 11254 1 . LYS 23 23 11254 1 . ARG 24 24 11254 1 . TYR 25 25 11254 1 . SER 26 26 11254 1 . ARG 27 27 11254 1 . SER 28 28 11254 1 . LEU 29 29 11254 1 . THR 30 30 11254 1 . ILE 31 31 11254 1 . ALA 32 32 11254 1 . GLU 33 33 11254 1 . PHE 34 34 11254 1 . LYS 35 35 11254 1 . CYS 36 36 11254 1 . LYS 37 37 11254 1 . LEU 38 38 11254 1 . GLU 39 39 11254 1 . LEU 40 40 11254 1 . VAL 41 41 11254 1 . VAL 42 42 11254 1 . GLY 43 43 11254 1 . SER 44 44 11254 1 . PRO 45 45 11254 1 . ALA 46 46 11254 1 . SER 47 47 11254 1 . CYS 48 48 11254 1 . MET 49 49 11254 1 . GLU 50 50 11254 1 . LEU 51 51 11254 1 . GLU 52 52 11254 1 . LEU 53 53 11254 1 . TYR 54 54 11254 1 . GLY 55 55 11254 1 . ALA 56 56 11254 1 . ASP 57 57 11254 1 . ASP 58 58 11254 1 . LYS 59 59 11254 1 . PHE 60 60 11254 1 . TYR 61 61 11254 1 . SER 62 62 11254 1 . LYS 63 63 11254 1 . LEU 64 64 11254 1 . ASP 65 65 11254 1 . GLN 66 66 11254 1 . GLU 67 67 11254 1 . ASP 68 68 11254 1 . ALA 69 69 11254 1 . LEU 70 70 11254 1 . LEU 71 71 11254 1 . GLY 72 72 11254 1 . SER 73 73 11254 1 . TYR 74 74 11254 1 . PRO 75 75 11254 1 . VAL 76 76 11254 1 . ASP 77 77 11254 1 . ASP 78 78 11254 1 . GLY 79 79 11254 1 . CYS 80 80 11254 1 . ARG 81 81 11254 1 . ILE 82 82 11254 1 . HIS 83 83 11254 1 . VAL 84 84 11254 1 . ILE 85 85 11254 1 . ASP 86 86 11254 1 . HIS 87 87 11254 1 . SER 88 88 11254 1 . GLY 89 89 11254 1 . SER 90 90 11254 1 . GLY 91 91 11254 1 . PRO 92 92 11254 1 . SER 93 93 11254 1 . SER 94 94 11254 1 . GLY 95 95 11254 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 11254 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11254 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 11254 _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 . . P030414-64 . . . . . . 11254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11254 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.15mM Protein U-15N, {13C;} 20mM Phosphate Na {(pH6.0);} 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 1.15 . . mM . . . . 11254 1 2 'Phosphate Na' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11254 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11254 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11254 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11254 1 6 H2O . . . . . . solvent 90 . . % . . . . 11254 1 7 D2O . . . . . . solvent 10 . . % . . . . 11254 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 11254 _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 11254 1 pH 6.0 0.05 pH 11254 1 pressure 1 0.001 atm 11254 1 temperature 298.0 0.1 K 11254 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11254 _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 . . 11254 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11254 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11254 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11254 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11254 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11254 _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.' . . 11254 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11254 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11254 _Software.ID 4 _Software.Name Kujira _Software.Version 0.860 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11254 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11254 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11254 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11254 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11254 5 'structure solution' 11254 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 11254 _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 11254 _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 . . . 11254 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 11254 _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 . . . . . . . . . . . . . . . . 11254 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11254 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 11254 _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 . . . . . . . . . 11254 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11254 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11254 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 11254 _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 11254 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11254 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 . . 11254 1 2 $NMRPipe . . 11254 1 3 $NMRView . . 11254 1 4 $Kujira . . 11254 1 5 $CYANA . . 11254 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.581 0.030 . 1 . . . . 2 SER HA . 11254 1 2 . 1 1 2 2 SER HB2 H 1 3.906 0.030 . 1 . . . . 2 SER HB2 . 11254 1 3 . 1 1 2 2 SER HB3 H 1 3.906 0.030 . 1 . . . . 2 SER HB3 . 11254 1 4 . 1 1 2 2 SER C C 13 174.838 0.300 . 1 . . . . 2 SER C . 11254 1 5 . 1 1 2 2 SER CA C 13 58.368 0.300 . 1 . . . . 2 SER CA . 11254 1 6 . 1 1 2 2 SER CB C 13 64.043 0.300 . 1 . . . . 2 SER CB . 11254 1 7 . 1 1 3 3 SER H H 1 8.588 0.030 . 1 . . . . 3 SER H . 11254 1 8 . 1 1 3 3 SER HA H 1 4.506 0.030 . 1 . . . . 3 SER HA . 11254 1 9 . 1 1 3 3 SER HB2 H 1 3.918 0.030 . 1 . . . . 3 SER HB2 . 11254 1 10 . 1 1 3 3 SER HB3 H 1 3.918 0.030 . 1 . . . . 3 SER HB3 . 11254 1 11 . 1 1 3 3 SER C C 13 175.188 0.300 . 1 . . . . 3 SER C . 11254 1 12 . 1 1 3 3 SER CA C 13 58.697 0.300 . 1 . . . . 3 SER CA . 11254 1 13 . 1 1 3 3 SER CB C 13 63.878 0.300 . 1 . . . . 3 SER CB . 11254 1 14 . 1 1 3 3 SER N N 15 118.209 0.300 . 1 . . . . 3 SER N . 11254 1 15 . 1 1 4 4 GLY H H 1 8.505 0.030 . 1 . . . . 4 GLY H . 11254 1 16 . 1 1 4 4 GLY HA2 H 1 4.018 0.030 . 1 . . . . 4 GLY HA2 . 11254 1 17 . 1 1 4 4 GLY HA3 H 1 4.018 0.030 . 1 . . . . 4 GLY HA3 . 11254 1 18 . 1 1 4 4 GLY C C 13 174.426 0.300 . 1 . . . . 4 GLY C . 11254 1 19 . 1 1 4 4 GLY CA C 13 45.515 0.300 . 1 . . . . 4 GLY CA . 11254 1 20 . 1 1 4 4 GLY N N 15 111.007 0.300 . 1 . . . . 4 GLY N . 11254 1 21 . 1 1 5 5 SER H H 1 8.126 0.030 . 1 . . . . 5 SER H . 11254 1 22 . 1 1 5 5 SER HA H 1 4.531 0.030 . 1 . . . . 5 SER HA . 11254 1 23 . 1 1 5 5 SER HB2 H 1 3.918 0.030 . 1 . . . . 5 SER HB2 . 11254 1 24 . 1 1 5 5 SER HB3 H 1 3.918 0.030 . 1 . . . . 5 SER HB3 . 11254 1 25 . 1 1 5 5 SER C C 13 174.721 0.300 . 1 . . . . 5 SER C . 11254 1 26 . 1 1 5 5 SER CA C 13 58.438 0.300 . 1 . . . . 5 SER CA . 11254 1 27 . 1 1 5 5 SER CB C 13 64.005 0.300 . 1 . . . . 5 SER CB . 11254 1 28 . 1 1 5 5 SER N N 15 115.543 0.300 . 1 . . . . 5 SER N . 11254 1 29 . 1 1 6 6 SER H H 1 8.423 0.030 . 1 . . . . 6 SER H . 11254 1 30 . 1 1 6 6 SER HA H 1 4.519 0.030 . 1 . . . . 6 SER HA . 11254 1 31 . 1 1 6 6 SER HB2 H 1 3.956 0.030 . 1 . . . . 6 SER HB2 . 11254 1 32 . 1 1 6 6 SER HB3 H 1 3.956 0.030 . 1 . . . . 6 SER HB3 . 11254 1 33 . 1 1 6 6 SER C C 13 174.690 0.300 . 1 . . . . 6 SER C . 11254 1 34 . 1 1 6 6 SER CA C 13 58.798 0.300 . 1 . . . . 6 SER CA . 11254 1 35 . 1 1 6 6 SER CB C 13 63.824 0.300 . 1 . . . . 6 SER CB . 11254 1 36 . 1 1 6 6 SER N N 15 117.888 0.300 . 1 . . . . 6 SER N . 11254 1 37 . 1 1 7 7 GLY H H 1 8.235 0.030 . 1 . . . . 7 GLY H . 11254 1 38 . 1 1 7 7 GLY HA2 H 1 3.743 0.030 . 2 . . . . 7 GLY HA2 . 11254 1 39 . 1 1 7 7 GLY HA3 H 1 4.531 0.030 . 2 . . . . 7 GLY HA3 . 11254 1 40 . 1 1 7 7 GLY C C 13 172.441 0.300 . 1 . . . . 7 GLY C . 11254 1 41 . 1 1 7 7 GLY CA C 13 44.771 0.300 . 1 . . . . 7 GLY CA . 11254 1 42 . 1 1 7 7 GLY N N 15 110.465 0.300 . 1 . . . . 7 GLY N . 11254 1 43 . 1 1 8 8 VAL H H 1 9.047 0.030 . 1 . . . . 8 VAL H . 11254 1 44 . 1 1 8 8 VAL HA H 1 4.631 0.030 . 1 . . . . 8 VAL HA . 11254 1 45 . 1 1 8 8 VAL HB H 1 1.738 0.030 . 1 . . . . 8 VAL HB . 11254 1 46 . 1 1 8 8 VAL HG11 H 1 0.846 0.030 . 1 . . . . 8 VAL HG1 . 11254 1 47 . 1 1 8 8 VAL HG12 H 1 0.846 0.030 . 1 . . . . 8 VAL HG1 . 11254 1 48 . 1 1 8 8 VAL HG13 H 1 0.846 0.030 . 1 . . . . 8 VAL HG1 . 11254 1 49 . 1 1 8 8 VAL HG21 H 1 0.804 0.030 . 1 . . . . 8 VAL HG2 . 11254 1 50 . 1 1 8 8 VAL HG22 H 1 0.804 0.030 . 1 . . . . 8 VAL HG2 . 11254 1 51 . 1 1 8 8 VAL HG23 H 1 0.804 0.030 . 1 . . . . 8 VAL HG2 . 11254 1 52 . 1 1 8 8 VAL C C 13 172.397 0.300 . 1 . . . . 8 VAL C . 11254 1 53 . 1 1 8 8 VAL CA C 13 59.430 0.300 . 1 . . . . 8 VAL CA . 11254 1 54 . 1 1 8 8 VAL CB C 13 35.053 0.300 . 1 . . . . 8 VAL CB . 11254 1 55 . 1 1 8 8 VAL CG1 C 13 21.026 0.300 . 2 . . . . 8 VAL CG1 . 11254 1 56 . 1 1 8 8 VAL CG2 C 13 19.052 0.300 . 2 . . . . 8 VAL CG2 . 11254 1 57 . 1 1 8 8 VAL N N 15 119.804 0.300 . 1 . . . . 8 VAL N . 11254 1 58 . 1 1 9 9 MET H H 1 8.845 0.030 . 1 . . . . 9 MET H . 11254 1 59 . 1 1 9 9 MET HA H 1 4.806 0.030 . 1 . . . . 9 MET HA . 11254 1 60 . 1 1 9 9 MET HB2 H 1 2.018 0.030 . 2 . . . . 9 MET HB2 . 11254 1 61 . 1 1 9 9 MET HB3 H 1 1.692 0.030 . 2 . . . . 9 MET HB3 . 11254 1 62 . 1 1 9 9 MET HE1 H 1 1.769 0.030 . 1 . . . . 9 MET HE . 11254 1 63 . 1 1 9 9 MET HE2 H 1 1.769 0.030 . 1 . . . . 9 MET HE . 11254 1 64 . 1 1 9 9 MET HE3 H 1 1.769 0.030 . 1 . . . . 9 MET HE . 11254 1 65 . 1 1 9 9 MET HG2 H 1 2.255 0.030 . 1 . . . . 9 MET HG2 . 11254 1 66 . 1 1 9 9 MET HG3 H 1 2.255 0.030 . 1 . . . . 9 MET HG3 . 11254 1 67 . 1 1 9 9 MET C C 13 174.873 0.300 . 1 . . . . 9 MET C . 11254 1 68 . 1 1 9 9 MET CA C 13 54.621 0.300 . 1 . . . . 9 MET CA . 11254 1 69 . 1 1 9 9 MET CB C 13 32.612 0.300 . 1 . . . . 9 MET CB . 11254 1 70 . 1 1 9 9 MET CE C 13 17.274 0.300 . 1 . . . . 9 MET CE . 11254 1 71 . 1 1 9 9 MET CG C 13 32.377 0.300 . 1 . . . . 9 MET CG . 11254 1 72 . 1 1 9 9 MET N N 15 128.832 0.300 . 1 . . . . 9 MET N . 11254 1 73 . 1 1 10 10 VAL H H 1 8.897 0.030 . 1 . . . . 10 VAL H . 11254 1 74 . 1 1 10 10 VAL HA H 1 5.067 0.030 . 1 . . . . 10 VAL HA . 11254 1 75 . 1 1 10 10 VAL HB H 1 2.243 0.030 . 1 . . . . 10 VAL HB . 11254 1 76 . 1 1 10 10 VAL HG11 H 1 0.820 0.030 . 1 . . . . 10 VAL HG1 . 11254 1 77 . 1 1 10 10 VAL HG12 H 1 0.820 0.030 . 1 . . . . 10 VAL HG1 . 11254 1 78 . 1 1 10 10 VAL HG13 H 1 0.820 0.030 . 1 . . . . 10 VAL HG1 . 11254 1 79 . 1 1 10 10 VAL HG21 H 1 1.023 0.030 . 1 . . . . 10 VAL HG2 . 11254 1 80 . 1 1 10 10 VAL HG22 H 1 1.023 0.030 . 1 . . . . 10 VAL HG2 . 11254 1 81 . 1 1 10 10 VAL HG23 H 1 1.023 0.030 . 1 . . . . 10 VAL HG2 . 11254 1 82 . 1 1 10 10 VAL C C 13 174.893 0.300 . 1 . . . . 10 VAL C . 11254 1 83 . 1 1 10 10 VAL CA C 13 58.439 0.300 . 1 . . . . 10 VAL CA . 11254 1 84 . 1 1 10 10 VAL CB C 13 35.393 0.300 . 1 . . . . 10 VAL CB . 11254 1 85 . 1 1 10 10 VAL CG1 C 13 23.000 0.300 . 2 . . . . 10 VAL CG1 . 11254 1 86 . 1 1 10 10 VAL CG2 C 13 19.149 0.300 . 2 . . . . 10 VAL CG2 . 11254 1 87 . 1 1 10 10 VAL N N 15 120.257 0.300 . 1 . . . . 10 VAL N . 11254 1 88 . 1 1 11 11 PHE H H 1 8.947 0.030 . 1 . . . . 11 PHE H . 11254 1 89 . 1 1 11 11 PHE HA H 1 5.319 0.030 . 1 . . . . 11 PHE HA . 11254 1 90 . 1 1 11 11 PHE HB2 H 1 2.743 0.030 . 1 . . . . 11 PHE HB2 . 11254 1 91 . 1 1 11 11 PHE HB3 H 1 2.743 0.030 . 1 . . . . 11 PHE HB3 . 11254 1 92 . 1 1 11 11 PHE HD1 H 1 7.090 0.030 . 1 . . . . 11 PHE HD1 . 11254 1 93 . 1 1 11 11 PHE HD2 H 1 7.090 0.030 . 1 . . . . 11 PHE HD2 . 11254 1 94 . 1 1 11 11 PHE HE1 H 1 7.377 0.030 . 1 . . . . 11 PHE HE1 . 11254 1 95 . 1 1 11 11 PHE HE2 H 1 7.377 0.030 . 1 . . . . 11 PHE HE2 . 11254 1 96 . 1 1 11 11 PHE C C 13 175.402 0.300 . 1 . . . . 11 PHE C . 11254 1 97 . 1 1 11 11 PHE CA C 13 57.326 0.300 . 1 . . . . 11 PHE CA . 11254 1 98 . 1 1 11 11 PHE CB C 13 41.281 0.300 . 1 . . . . 11 PHE CB . 11254 1 99 . 1 1 11 11 PHE CD1 C 13 131.536 0.300 . 1 . . . . 11 PHE CD1 . 11254 1 100 . 1 1 11 11 PHE CD2 C 13 131.536 0.300 . 1 . . . . 11 PHE CD2 . 11254 1 101 . 1 1 11 11 PHE CE1 C 13 131.532 0.300 . 1 . . . . 11 PHE CE1 . 11254 1 102 . 1 1 11 11 PHE CE2 C 13 131.532 0.300 . 1 . . . . 11 PHE CE2 . 11254 1 103 . 1 1 11 11 PHE N N 15 118.254 0.300 . 1 . . . . 11 PHE N . 11254 1 104 . 1 1 12 12 ILE H H 1 9.277 0.030 . 1 . . . . 12 ILE H . 11254 1 105 . 1 1 12 12 ILE HA H 1 5.480 0.030 . 1 . . . . 12 ILE HA . 11254 1 106 . 1 1 12 12 ILE HB H 1 1.980 0.030 . 1 . . . . 12 ILE HB . 11254 1 107 . 1 1 12 12 ILE HD11 H 1 0.978 0.030 . 1 . . . . 12 ILE HD1 . 11254 1 108 . 1 1 12 12 ILE HD12 H 1 0.978 0.030 . 1 . . . . 12 ILE HD1 . 11254 1 109 . 1 1 12 12 ILE HD13 H 1 0.978 0.030 . 1 . . . . 12 ILE HD1 . 11254 1 110 . 1 1 12 12 ILE HG12 H 1 1.490 0.030 . 2 . . . . 12 ILE HG12 . 11254 1 111 . 1 1 12 12 ILE HG13 H 1 1.596 0.030 . 2 . . . . 12 ILE HG13 . 11254 1 112 . 1 1 12 12 ILE HG21 H 1 0.890 0.030 . 1 . . . . 12 ILE HG2 . 11254 1 113 . 1 1 12 12 ILE HG22 H 1 0.890 0.030 . 1 . . . . 12 ILE HG2 . 11254 1 114 . 1 1 12 12 ILE HG23 H 1 0.890 0.030 . 1 . . . . 12 ILE HG2 . 11254 1 115 . 1 1 12 12 ILE C C 13 176.153 0.300 . 1 . . . . 12 ILE C . 11254 1 116 . 1 1 12 12 ILE CA C 13 58.518 0.300 . 1 . . . . 12 ILE CA . 11254 1 117 . 1 1 12 12 ILE CB C 13 38.773 0.300 . 1 . . . . 12 ILE CB . 11254 1 118 . 1 1 12 12 ILE CD1 C 13 12.966 0.300 . 1 . . . . 12 ILE CD1 . 11254 1 119 . 1 1 12 12 ILE CG1 C 13 26.956 0.300 . 1 . . . . 12 ILE CG1 . 11254 1 120 . 1 1 12 12 ILE CG2 C 13 18.620 0.300 . 1 . . . . 12 ILE CG2 . 11254 1 121 . 1 1 12 12 ILE N N 15 122.365 0.300 . 1 . . . . 12 ILE N . 11254 1 122 . 1 1 13 13 SER H H 1 9.464 0.030 . 1 . . . . 13 SER H . 11254 1 123 . 1 1 13 13 SER HA H 1 5.142 0.030 . 1 . . . . 13 SER HA . 11254 1 124 . 1 1 13 13 SER HB2 H 1 4.668 0.030 . 2 . . . . 13 SER HB2 . 11254 1 125 . 1 1 13 13 SER HB3 H 1 3.468 0.030 . 2 . . . . 13 SER HB3 . 11254 1 126 . 1 1 13 13 SER C C 13 172.868 0.300 . 1 . . . . 13 SER C . 11254 1 127 . 1 1 13 13 SER CA C 13 56.737 0.300 . 1 . . . . 13 SER CA . 11254 1 128 . 1 1 13 13 SER CB C 13 67.313 0.300 . 1 . . . . 13 SER CB . 11254 1 129 . 1 1 13 13 SER N N 15 123.523 0.300 . 1 . . . . 13 SER N . 11254 1 130 . 1 1 14 14 SER H H 1 9.756 0.030 . 1 . . . . 14 SER H . 11254 1 131 . 1 1 14 14 SER HA H 1 5.277 0.030 . 1 . . . . 14 SER HA . 11254 1 132 . 1 1 14 14 SER HB2 H 1 3.962 0.030 . 2 . . . . 14 SER HB2 . 11254 1 133 . 1 1 14 14 SER HB3 H 1 3.688 0.030 . 2 . . . . 14 SER HB3 . 11254 1 134 . 1 1 14 14 SER C C 13 174.998 0.300 . 1 . . . . 14 SER C . 11254 1 135 . 1 1 14 14 SER CA C 13 56.967 0.300 . 1 . . . . 14 SER CA . 11254 1 136 . 1 1 14 14 SER CB C 13 67.454 0.300 . 1 . . . . 14 SER CB . 11254 1 137 . 1 1 14 14 SER N N 15 113.862 0.300 . 1 . . . . 14 SER N . 11254 1 138 . 1 1 15 15 SER H H 1 8.437 0.030 . 1 . . . . 15 SER H . 11254 1 139 . 1 1 15 15 SER HA H 1 4.405 0.030 . 1 . . . . 15 SER HA . 11254 1 140 . 1 1 15 15 SER HB2 H 1 4.340 0.030 . 2 . . . . 15 SER HB2 . 11254 1 141 . 1 1 15 15 SER HB3 H 1 3.741 0.030 . 2 . . . . 15 SER HB3 . 11254 1 142 . 1 1 15 15 SER C C 13 175.214 0.300 . 1 . . . . 15 SER C . 11254 1 143 . 1 1 15 15 SER CA C 13 59.854 0.300 . 1 . . . . 15 SER CA . 11254 1 144 . 1 1 15 15 SER CB C 13 63.687 0.300 . 1 . . . . 15 SER CB . 11254 1 145 . 1 1 15 15 SER N N 15 116.173 0.300 . 1 . . . . 15 SER N . 11254 1 146 . 1 1 16 16 LEU H H 1 8.352 0.030 . 1 . . . . 16 LEU H . 11254 1 147 . 1 1 16 16 LEU HA H 1 4.256 0.030 . 1 . . . . 16 LEU HA . 11254 1 148 . 1 1 16 16 LEU HB2 H 1 1.738 0.030 . 2 . . . . 16 LEU HB2 . 11254 1 149 . 1 1 16 16 LEU HB3 H 1 1.584 0.030 . 2 . . . . 16 LEU HB3 . 11254 1 150 . 1 1 16 16 LEU HD11 H 1 0.876 0.030 . 1 . . . . 16 LEU HD1 . 11254 1 151 . 1 1 16 16 LEU HD12 H 1 0.876 0.030 . 1 . . . . 16 LEU HD1 . 11254 1 152 . 1 1 16 16 LEU HD13 H 1 0.876 0.030 . 1 . . . . 16 LEU HD1 . 11254 1 153 . 1 1 16 16 LEU HD21 H 1 0.867 0.030 . 1 . . . . 16 LEU HD2 . 11254 1 154 . 1 1 16 16 LEU HD22 H 1 0.867 0.030 . 1 . . . . 16 LEU HD2 . 11254 1 155 . 1 1 16 16 LEU HD23 H 1 0.867 0.030 . 1 . . . . 16 LEU HD2 . 11254 1 156 . 1 1 16 16 LEU HG H 1 1.589 0.030 . 1 . . . . 16 LEU HG . 11254 1 157 . 1 1 16 16 LEU C C 13 177.383 0.300 . 1 . . . . 16 LEU C . 11254 1 158 . 1 1 16 16 LEU CA C 13 56.500 0.300 . 1 . . . . 16 LEU CA . 11254 1 159 . 1 1 16 16 LEU CB C 13 43.658 0.300 . 1 . . . . 16 LEU CB . 11254 1 160 . 1 1 16 16 LEU CD1 C 13 25.221 0.300 . 2 . . . . 16 LEU CD1 . 11254 1 161 . 1 1 16 16 LEU CD2 C 13 23.247 0.300 . 2 . . . . 16 LEU CD2 . 11254 1 162 . 1 1 16 16 LEU CG C 13 27.289 0.300 . 1 . . . . 16 LEU CG . 11254 1 163 . 1 1 16 16 LEU N N 15 121.373 0.300 . 1 . . . . 16 LEU N . 11254 1 164 . 1 1 17 17 ASN H H 1 7.575 0.030 . 1 . . . . 17 ASN H . 11254 1 165 . 1 1 17 17 ASN HA H 1 4.694 0.030 . 1 . . . . 17 ASN HA . 11254 1 166 . 1 1 17 17 ASN HB2 H 1 3.085 0.030 . 2 . . . . 17 ASN HB2 . 11254 1 167 . 1 1 17 17 ASN HB3 H 1 2.751 0.030 . 2 . . . . 17 ASN HB3 . 11254 1 168 . 1 1 17 17 ASN HD21 H 1 7.705 0.030 . 2 . . . . 17 ASN HD21 . 11254 1 169 . 1 1 17 17 ASN HD22 H 1 7.059 0.030 . 2 . . . . 17 ASN HD22 . 11254 1 170 . 1 1 17 17 ASN C C 13 174.677 0.300 . 1 . . . . 17 ASN C . 11254 1 171 . 1 1 17 17 ASN CA C 13 52.741 0.300 . 1 . . . . 17 ASN CA . 11254 1 172 . 1 1 17 17 ASN CB C 13 39.081 0.300 . 1 . . . . 17 ASN CB . 11254 1 173 . 1 1 17 17 ASN N N 15 111.937 0.300 . 1 . . . . 17 ASN N . 11254 1 174 . 1 1 17 17 ASN ND2 N 15 115.875 0.300 . 1 . . . . 17 ASN ND2 . 11254 1 175 . 1 1 18 18 SER H H 1 8.343 0.030 . 1 . . . . 18 SER H . 11254 1 176 . 1 1 18 18 SER HA H 1 4.669 0.030 . 1 . . . . 18 SER HA . 11254 1 177 . 1 1 18 18 SER HB2 H 1 3.911 0.030 . 2 . . . . 18 SER HB2 . 11254 1 178 . 1 1 18 18 SER HB3 H 1 3.951 0.030 . 2 . . . . 18 SER HB3 . 11254 1 179 . 1 1 18 18 SER C C 13 174.678 0.300 . 1 . . . . 18 SER C . 11254 1 180 . 1 1 18 18 SER CA C 13 58.281 0.300 . 1 . . . . 18 SER CA . 11254 1 181 . 1 1 18 18 SER CB C 13 63.733 0.300 . 1 . . . . 18 SER CB . 11254 1 182 . 1 1 18 18 SER N N 15 111.964 0.300 . 1 . . . . 18 SER N . 11254 1 183 . 1 1 19 19 PHE H H 1 8.199 0.030 . 1 . . . . 19 PHE H . 11254 1 184 . 1 1 19 19 PHE HA H 1 4.644 0.030 . 1 . . . . 19 PHE HA . 11254 1 185 . 1 1 19 19 PHE HB2 H 1 3.060 0.030 . 2 . . . . 19 PHE HB2 . 11254 1 186 . 1 1 19 19 PHE HB3 H 1 3.159 0.030 . 2 . . . . 19 PHE HB3 . 11254 1 187 . 1 1 19 19 PHE HD1 H 1 7.231 0.030 . 1 . . . . 19 PHE HD1 . 11254 1 188 . 1 1 19 19 PHE HD2 H 1 7.231 0.030 . 1 . . . . 19 PHE HD2 . 11254 1 189 . 1 1 19 19 PHE HE1 H 1 7.320 0.030 . 1 . . . . 19 PHE HE1 . 11254 1 190 . 1 1 19 19 PHE HE2 H 1 7.320 0.030 . 1 . . . . 19 PHE HE2 . 11254 1 191 . 1 1 19 19 PHE C C 13 176.073 0.300 . 1 . . . . 19 PHE C . 11254 1 192 . 1 1 19 19 PHE CA C 13 58.002 0.300 . 1 . . . . 19 PHE CA . 11254 1 193 . 1 1 19 19 PHE CB C 13 39.443 0.300 . 1 . . . . 19 PHE CB . 11254 1 194 . 1 1 19 19 PHE CD1 C 13 131.536 0.300 . 1 . . . . 19 PHE CD1 . 11254 1 195 . 1 1 19 19 PHE CD2 C 13 131.536 0.300 . 1 . . . . 19 PHE CD2 . 11254 1 196 . 1 1 19 19 PHE CE1 C 13 129.855 0.300 . 1 . . . . 19 PHE CE1 . 11254 1 197 . 1 1 19 19 PHE CE2 C 13 129.855 0.300 . 1 . . . . 19 PHE CE2 . 11254 1 198 . 1 1 19 19 PHE N N 15 123.381 0.300 . 1 . . . . 19 PHE N . 11254 1 199 . 1 1 20 20 ARG H H 1 8.420 0.030 . 1 . . . . 20 ARG H . 11254 1 200 . 1 1 20 20 ARG HA H 1 5.355 0.030 . 1 . . . . 20 ARG HA . 11254 1 201 . 1 1 20 20 ARG HB2 H 1 1.664 0.030 . 2 . . . . 20 ARG HB2 . 11254 1 202 . 1 1 20 20 ARG HB3 H 1 1.771 0.030 . 2 . . . . 20 ARG HB3 . 11254 1 203 . 1 1 20 20 ARG HD2 H 1 2.855 0.030 . 2 . . . . 20 ARG HD2 . 11254 1 204 . 1 1 20 20 ARG HD3 H 1 3.017 0.030 . 2 . . . . 20 ARG HD3 . 11254 1 205 . 1 1 20 20 ARG HE H 1 7.307 0.030 . 1 . . . . 20 ARG HE . 11254 1 206 . 1 1 20 20 ARG HG2 H 1 1.710 0.030 . 2 . . . . 20 ARG HG2 . 11254 1 207 . 1 1 20 20 ARG HG3 H 1 1.509 0.030 . 2 . . . . 20 ARG HG3 . 11254 1 208 . 1 1 20 20 ARG C C 13 175.427 0.300 . 1 . . . . 20 ARG C . 11254 1 209 . 1 1 20 20 ARG CA C 13 54.977 0.300 . 1 . . . . 20 ARG CA . 11254 1 210 . 1 1 20 20 ARG CB C 13 33.960 0.300 . 1 . . . . 20 ARG CB . 11254 1 211 . 1 1 20 20 ARG CD C 13 44.101 0.300 . 1 . . . . 20 ARG CD . 11254 1 212 . 1 1 20 20 ARG CG C 13 27.676 0.300 . 1 . . . . 20 ARG CG . 11254 1 213 . 1 1 20 20 ARG N N 15 123.595 0.300 . 1 . . . . 20 ARG N . 11254 1 214 . 1 1 20 20 ARG NE N 15 83.853 0.300 . 1 . . . . 20 ARG NE . 11254 1 215 . 1 1 21 21 SER H H 1 8.333 0.030 . 1 . . . . 21 SER H . 11254 1 216 . 1 1 21 21 SER HA H 1 4.844 0.030 . 1 . . . . 21 SER HA . 11254 1 217 . 1 1 21 21 SER HB2 H 1 3.766 0.030 . 2 . . . . 21 SER HB2 . 11254 1 218 . 1 1 21 21 SER HB3 H 1 3.685 0.030 . 2 . . . . 21 SER HB3 . 11254 1 219 . 1 1 21 21 SER C C 13 172.431 0.300 . 1 . . . . 21 SER C . 11254 1 220 . 1 1 21 21 SER CA C 13 57.381 0.300 . 1 . . . . 21 SER CA . 11254 1 221 . 1 1 21 21 SER CB C 13 65.772 0.300 . 1 . . . . 21 SER CB . 11254 1 222 . 1 1 21 21 SER N N 15 116.927 0.300 . 1 . . . . 21 SER N . 11254 1 223 . 1 1 22 22 GLU H H 1 8.648 0.030 . 1 . . . . 22 GLU H . 11254 1 224 . 1 1 22 22 GLU HA H 1 4.931 0.030 . 1 . . . . 22 GLU HA . 11254 1 225 . 1 1 22 22 GLU HB2 H 1 1.843 0.030 . 2 . . . . 22 GLU HB2 . 11254 1 226 . 1 1 22 22 GLU HB3 H 1 1.642 0.030 . 2 . . . . 22 GLU HB3 . 11254 1 227 . 1 1 22 22 GLU HG2 H 1 1.557 0.030 . 2 . . . . 22 GLU HG2 . 11254 1 228 . 1 1 22 22 GLU HG3 H 1 1.722 0.030 . 2 . . . . 22 GLU HG3 . 11254 1 229 . 1 1 22 22 GLU C C 13 175.724 0.300 . 1 . . . . 22 GLU C . 11254 1 230 . 1 1 22 22 GLU CA C 13 55.502 0.300 . 1 . . . . 22 GLU CA . 11254 1 231 . 1 1 22 22 GLU CB C 13 31.503 0.300 . 1 . . . . 22 GLU CB . 11254 1 232 . 1 1 22 22 GLU CG C 13 35.750 0.300 . 1 . . . . 22 GLU CG . 11254 1 233 . 1 1 22 22 GLU N N 15 125.558 0.300 . 1 . . . . 22 GLU N . 11254 1 234 . 1 1 23 23 LYS H H 1 9.015 0.030 . 1 . . . . 23 LYS H . 11254 1 235 . 1 1 23 23 LYS HA H 1 4.456 0.030 . 1 . . . . 23 LYS HA . 11254 1 236 . 1 1 23 23 LYS HB2 H 1 1.630 0.030 . 2 . . . . 23 LYS HB2 . 11254 1 237 . 1 1 23 23 LYS HB3 H 1 1.442 0.030 . 2 . . . . 23 LYS HB3 . 11254 1 238 . 1 1 23 23 LYS HD2 H 1 1.638 0.030 . 2 . . . . 23 LYS HD2 . 11254 1 239 . 1 1 23 23 LYS HD3 H 1 1.779 0.030 . 2 . . . . 23 LYS HD3 . 11254 1 240 . 1 1 23 23 LYS HE2 H 1 2.933 0.030 . 2 . . . . 23 LYS HE2 . 11254 1 241 . 1 1 23 23 LYS HE3 H 1 2.898 0.030 . 2 . . . . 23 LYS HE3 . 11254 1 242 . 1 1 23 23 LYS HG2 H 1 1.203 0.030 . 2 . . . . 23 LYS HG2 . 11254 1 243 . 1 1 23 23 LYS HG3 H 1 1.438 0.030 . 2 . . . . 23 LYS HG3 . 11254 1 244 . 1 1 23 23 LYS C C 13 173.284 0.300 . 1 . . . . 23 LYS C . 11254 1 245 . 1 1 23 23 LYS CA C 13 54.249 0.300 . 1 . . . . 23 LYS CA . 11254 1 246 . 1 1 23 23 LYS CB C 13 38.854 0.300 . 1 . . . . 23 LYS CB . 11254 1 247 . 1 1 23 23 LYS CD C 13 28.264 0.300 . 1 . . . . 23 LYS CD . 11254 1 248 . 1 1 23 23 LYS CE C 13 42.247 0.300 . 1 . . . . 23 LYS CE . 11254 1 249 . 1 1 23 23 LYS CG C 13 24.512 0.300 . 1 . . . . 23 LYS CG . 11254 1 250 . 1 1 23 23 LYS N N 15 126.928 0.300 . 1 . . . . 23 LYS N . 11254 1 251 . 1 1 24 24 ARG H H 1 7.681 0.030 . 1 . . . . 24 ARG H . 11254 1 252 . 1 1 24 24 ARG HA H 1 5.269 0.030 . 1 . . . . 24 ARG HA . 11254 1 253 . 1 1 24 24 ARG HB2 H 1 1.425 0.030 . 2 . . . . 24 ARG HB2 . 11254 1 254 . 1 1 24 24 ARG HB3 H 1 1.523 0.030 . 2 . . . . 24 ARG HB3 . 11254 1 255 . 1 1 24 24 ARG HD2 H 1 2.991 0.030 . 2 . . . . 24 ARG HD2 . 11254 1 256 . 1 1 24 24 ARG HD3 H 1 3.053 0.030 . 2 . . . . 24 ARG HD3 . 11254 1 257 . 1 1 24 24 ARG HE H 1 7.257 0.030 . 1 . . . . 24 ARG HE . 11254 1 258 . 1 1 24 24 ARG HG2 H 1 1.276 0.030 . 2 . . . . 24 ARG HG2 . 11254 1 259 . 1 1 24 24 ARG HG3 H 1 1.150 0.030 . 2 . . . . 24 ARG HG3 . 11254 1 260 . 1 1 24 24 ARG C C 13 175.925 0.300 . 1 . . . . 24 ARG C . 11254 1 261 . 1 1 24 24 ARG CA C 13 54.601 0.300 . 1 . . . . 24 ARG CA . 11254 1 262 . 1 1 24 24 ARG CB C 13 32.192 0.300 . 1 . . . . 24 ARG CB . 11254 1 263 . 1 1 24 24 ARG CD C 13 43.151 0.300 . 1 . . . . 24 ARG CD . 11254 1 264 . 1 1 24 24 ARG CG C 13 28.017 0.300 . 1 . . . . 24 ARG CG . 11254 1 265 . 1 1 24 24 ARG N N 15 119.977 0.300 . 1 . . . . 24 ARG N . 11254 1 266 . 1 1 24 24 ARG NE N 15 84.276 0.300 . 1 . . . . 24 ARG NE . 11254 1 267 . 1 1 25 25 TYR H H 1 8.556 0.030 . 1 . . . . 25 TYR H . 11254 1 268 . 1 1 25 25 TYR HA H 1 4.744 0.030 . 1 . . . . 25 TYR HA . 11254 1 269 . 1 1 25 25 TYR HB2 H 1 2.880 0.030 . 2 . . . . 25 TYR HB2 . 11254 1 270 . 1 1 25 25 TYR HB3 H 1 2.030 0.030 . 2 . . . . 25 TYR HB3 . 11254 1 271 . 1 1 25 25 TYR HD1 H 1 7.046 0.030 . 1 . . . . 25 TYR HD1 . 11254 1 272 . 1 1 25 25 TYR HD2 H 1 7.046 0.030 . 1 . . . . 25 TYR HD2 . 11254 1 273 . 1 1 25 25 TYR HE1 H 1 6.662 0.030 . 1 . . . . 25 TYR HE1 . 11254 1 274 . 1 1 25 25 TYR HE2 H 1 6.662 0.030 . 1 . . . . 25 TYR HE2 . 11254 1 275 . 1 1 25 25 TYR C C 13 174.552 0.300 . 1 . . . . 25 TYR C . 11254 1 276 . 1 1 25 25 TYR CA C 13 57.401 0.300 . 1 . . . . 25 TYR CA . 11254 1 277 . 1 1 25 25 TYR CB C 13 43.431 0.300 . 1 . . . . 25 TYR CB . 11254 1 278 . 1 1 25 25 TYR CD1 C 13 132.855 0.300 . 1 . . . . 25 TYR CD1 . 11254 1 279 . 1 1 25 25 TYR CD2 C 13 132.855 0.300 . 1 . . . . 25 TYR CD2 . 11254 1 280 . 1 1 25 25 TYR CE1 C 13 118.188 0.300 . 1 . . . . 25 TYR CE1 . 11254 1 281 . 1 1 25 25 TYR CE2 C 13 118.188 0.300 . 1 . . . . 25 TYR CE2 . 11254 1 282 . 1 1 25 25 TYR N N 15 121.940 0.300 . 1 . . . . 25 TYR N . 11254 1 283 . 1 1 26 26 SER H H 1 8.573 0.030 . 1 . . . . 26 SER H . 11254 1 284 . 1 1 26 26 SER HA H 1 4.469 0.030 . 1 . . . . 26 SER HA . 11254 1 285 . 1 1 26 26 SER HB2 H 1 4.043 0.030 . 2 . . . . 26 SER HB2 . 11254 1 286 . 1 1 26 26 SER HB3 H 1 3.788 0.030 . 2 . . . . 26 SER HB3 . 11254 1 287 . 1 1 26 26 SER C C 13 175.710 0.300 . 1 . . . . 26 SER C . 11254 1 288 . 1 1 26 26 SER CA C 13 57.925 0.300 . 1 . . . . 26 SER CA . 11254 1 289 . 1 1 26 26 SER CB C 13 63.960 0.300 . 1 . . . . 26 SER CB . 11254 1 290 . 1 1 26 26 SER N N 15 114.504 0.300 . 1 . . . . 26 SER N . 11254 1 291 . 1 1 27 27 ARG H H 1 8.670 0.030 . 1 . . . . 27 ARG H . 11254 1 292 . 1 1 27 27 ARG HA H 1 3.775 0.030 . 1 . . . . 27 ARG HA . 11254 1 293 . 1 1 27 27 ARG HB2 H 1 1.718 0.030 . 2 . . . . 27 ARG HB2 . 11254 1 294 . 1 1 27 27 ARG HB3 H 1 1.881 0.030 . 2 . . . . 27 ARG HB3 . 11254 1 295 . 1 1 27 27 ARG HD2 H 1 3.258 0.030 . 1 . . . . 27 ARG HD2 . 11254 1 296 . 1 1 27 27 ARG HD3 H 1 3.258 0.030 . 1 . . . . 27 ARG HD3 . 11254 1 297 . 1 1 27 27 ARG HE H 1 7.302 0.030 . 1 . . . . 27 ARG HE . 11254 1 298 . 1 1 27 27 ARG HG2 H 1 1.192 0.030 . 1 . . . . 27 ARG HG2 . 11254 1 299 . 1 1 27 27 ARG HG3 H 1 1.192 0.030 . 1 . . . . 27 ARG HG3 . 11254 1 300 . 1 1 27 27 ARG C C 13 176.758 0.300 . 1 . . . . 27 ARG C . 11254 1 301 . 1 1 27 27 ARG CA C 13 59.107 0.300 . 1 . . . . 27 ARG CA . 11254 1 302 . 1 1 27 27 ARG CB C 13 30.817 0.300 . 1 . . . . 27 ARG CB . 11254 1 303 . 1 1 27 27 ARG CD C 13 43.151 0.300 . 1 . . . . 27 ARG CD . 11254 1 304 . 1 1 27 27 ARG CG C 13 30.814 0.300 . 1 . . . . 27 ARG CG . 11254 1 305 . 1 1 27 27 ARG N N 15 123.690 0.300 . 1 . . . . 27 ARG N . 11254 1 306 . 1 1 27 27 ARG NE N 15 84.640 0.300 . 1 . . . . 27 ARG NE . 11254 1 307 . 1 1 28 28 SER H H 1 8.369 0.030 . 1 . . . . 28 SER H . 11254 1 308 . 1 1 28 28 SER HA H 1 4.444 0.030 . 1 . . . . 28 SER HA . 11254 1 309 . 1 1 28 28 SER HB2 H 1 3.944 0.030 . 1 . . . . 28 SER HB2 . 11254 1 310 . 1 1 28 28 SER HB3 H 1 3.944 0.030 . 1 . . . . 28 SER HB3 . 11254 1 311 . 1 1 28 28 SER C C 13 173.752 0.300 . 1 . . . . 28 SER C . 11254 1 312 . 1 1 28 28 SER CA C 13 58.771 0.300 . 1 . . . . 28 SER CA . 11254 1 313 . 1 1 28 28 SER CB C 13 63.392 0.300 . 1 . . . . 28 SER CB . 11254 1 314 . 1 1 28 28 SER N N 15 112.651 0.300 . 1 . . . . 28 SER N . 11254 1 315 . 1 1 29 29 LEU H H 1 6.852 0.030 . 1 . . . . 29 LEU H . 11254 1 316 . 1 1 29 29 LEU HA H 1 4.419 0.030 . 1 . . . . 29 LEU HA . 11254 1 317 . 1 1 29 29 LEU HB2 H 1 1.580 0.030 . 1 . . . . 29 LEU HB2 . 11254 1 318 . 1 1 29 29 LEU HB3 H 1 1.580 0.030 . 1 . . . . 29 LEU HB3 . 11254 1 319 . 1 1 29 29 LEU HD11 H 1 1.130 0.030 . 1 . . . . 29 LEU HD1 . 11254 1 320 . 1 1 29 29 LEU HD12 H 1 1.130 0.030 . 1 . . . . 29 LEU HD1 . 11254 1 321 . 1 1 29 29 LEU HD13 H 1 1.130 0.030 . 1 . . . . 29 LEU HD1 . 11254 1 322 . 1 1 29 29 LEU HD21 H 1 0.957 0.030 . 1 . . . . 29 LEU HD2 . 11254 1 323 . 1 1 29 29 LEU HD22 H 1 0.957 0.030 . 1 . . . . 29 LEU HD2 . 11254 1 324 . 1 1 29 29 LEU HD23 H 1 0.957 0.030 . 1 . . . . 29 LEU HD2 . 11254 1 325 . 1 1 29 29 LEU HG H 1 2.022 0.030 . 1 . . . . 29 LEU HG . 11254 1 326 . 1 1 29 29 LEU C C 13 177.722 0.300 . 1 . . . . 29 LEU C . 11254 1 327 . 1 1 29 29 LEU CA C 13 55.237 0.300 . 1 . . . . 29 LEU CA . 11254 1 328 . 1 1 29 29 LEU CB C 13 43.961 0.300 . 1 . . . . 29 LEU CB . 11254 1 329 . 1 1 29 29 LEU CD1 C 13 27.291 0.300 . 2 . . . . 29 LEU CD1 . 11254 1 330 . 1 1 29 29 LEU CD2 C 13 23.675 0.300 . 2 . . . . 29 LEU CD2 . 11254 1 331 . 1 1 29 29 LEU CG C 13 27.171 0.300 . 1 . . . . 29 LEU CG . 11254 1 332 . 1 1 29 29 LEU N N 15 121.294 0.300 . 1 . . . . 29 LEU N . 11254 1 333 . 1 1 30 30 THR H H 1 8.572 0.030 . 1 . . . . 30 THR H . 11254 1 334 . 1 1 30 30 THR HA H 1 5.156 0.030 . 1 . . . . 30 THR HA . 11254 1 335 . 1 1 30 30 THR HB H 1 4.806 0.030 . 1 . . . . 30 THR HB . 11254 1 336 . 1 1 30 30 THR HG21 H 1 1.306 0.030 . 1 . . . . 30 THR HG2 . 11254 1 337 . 1 1 30 30 THR HG22 H 1 1.306 0.030 . 1 . . . . 30 THR HG2 . 11254 1 338 . 1 1 30 30 THR HG23 H 1 1.306 0.030 . 1 . . . . 30 THR HG2 . 11254 1 339 . 1 1 30 30 THR C C 13 176.538 0.300 . 1 . . . . 30 THR C . 11254 1 340 . 1 1 30 30 THR CA C 13 60.964 0.300 . 1 . . . . 30 THR CA . 11254 1 341 . 1 1 30 30 THR CB C 13 71.301 0.300 . 1 . . . . 30 THR CB . 11254 1 342 . 1 1 30 30 THR CG2 C 13 22.296 0.300 . 1 . . . . 30 THR CG2 . 11254 1 343 . 1 1 30 30 THR N N 15 112.429 0.300 . 1 . . . . 30 THR N . 11254 1 344 . 1 1 31 31 ILE H H 1 8.525 0.030 . 1 . . . . 31 ILE H . 11254 1 345 . 1 1 31 31 ILE HA H 1 3.956 0.030 . 1 . . . . 31 ILE HA . 11254 1 346 . 1 1 31 31 ILE HB H 1 2.668 0.030 . 1 . . . . 31 ILE HB . 11254 1 347 . 1 1 31 31 ILE HD11 H 1 0.706 0.030 . 1 . . . . 31 ILE HD1 . 11254 1 348 . 1 1 31 31 ILE HD12 H 1 0.706 0.030 . 1 . . . . 31 ILE HD1 . 11254 1 349 . 1 1 31 31 ILE HD13 H 1 0.706 0.030 . 1 . . . . 31 ILE HD1 . 11254 1 350 . 1 1 31 31 ILE HG12 H 1 2.041 0.030 . 2 . . . . 31 ILE HG12 . 11254 1 351 . 1 1 31 31 ILE HG13 H 1 1.367 0.030 . 2 . . . . 31 ILE HG13 . 11254 1 352 . 1 1 31 31 ILE HG21 H 1 0.867 0.030 . 1 . . . . 31 ILE HG2 . 11254 1 353 . 1 1 31 31 ILE HG22 H 1 0.867 0.030 . 1 . . . . 31 ILE HG2 . 11254 1 354 . 1 1 31 31 ILE HG23 H 1 0.867 0.030 . 1 . . . . 31 ILE HG2 . 11254 1 355 . 1 1 31 31 ILE C C 13 178.580 0.300 . 1 . . . . 31 ILE C . 11254 1 356 . 1 1 31 31 ILE CA C 13 62.559 0.300 . 1 . . . . 31 ILE CA . 11254 1 357 . 1 1 31 31 ILE CB C 13 33.869 0.300 . 1 . . . . 31 ILE CB . 11254 1 358 . 1 1 31 31 ILE CD1 C 13 9.264 0.300 . 1 . . . . 31 ILE CD1 . 11254 1 359 . 1 1 31 31 ILE CG1 C 13 28.100 0.300 . 1 . . . . 31 ILE CG1 . 11254 1 360 . 1 1 31 31 ILE CG2 C 13 18.147 0.300 . 1 . . . . 31 ILE CG2 . 11254 1 361 . 1 1 31 31 ILE N N 15 122.471 0.300 . 1 . . . . 31 ILE N . 11254 1 362 . 1 1 32 32 ALA H H 1 8.939 0.030 . 1 . . . . 32 ALA H . 11254 1 363 . 1 1 32 32 ALA HA H 1 4.118 0.030 . 1 . . . . 32 ALA HA . 11254 1 364 . 1 1 32 32 ALA HB1 H 1 1.520 0.030 . 1 . . . . 32 ALA HB . 11254 1 365 . 1 1 32 32 ALA HB2 H 1 1.520 0.030 . 1 . . . . 32 ALA HB . 11254 1 366 . 1 1 32 32 ALA HB3 H 1 1.520 0.030 . 1 . . . . 32 ALA HB . 11254 1 367 . 1 1 32 32 ALA C C 13 181.135 0.300 . 1 . . . . 32 ALA C . 11254 1 368 . 1 1 32 32 ALA CA C 13 56.250 0.300 . 1 . . . . 32 ALA CA . 11254 1 369 . 1 1 32 32 ALA CB C 13 18.961 0.300 . 1 . . . . 32 ALA CB . 11254 1 370 . 1 1 32 32 ALA N N 15 122.127 0.300 . 1 . . . . 32 ALA N . 11254 1 371 . 1 1 33 33 GLU H H 1 7.925 0.030 . 1 . . . . 33 GLU H . 11254 1 372 . 1 1 33 33 GLU HA H 1 4.056 0.030 . 1 . . . . 33 GLU HA . 11254 1 373 . 1 1 33 33 GLU HB2 H 1 2.048 0.030 . 2 . . . . 33 GLU HB2 . 11254 1 374 . 1 1 33 33 GLU HB3 H 1 2.410 0.030 . 2 . . . . 33 GLU HB3 . 11254 1 375 . 1 1 33 33 GLU HG2 H 1 2.335 0.030 . 2 . . . . 33 GLU HG2 . 11254 1 376 . 1 1 33 33 GLU HG3 H 1 2.438 0.030 . 2 . . . . 33 GLU HG3 . 11254 1 377 . 1 1 33 33 GLU C C 13 179.974 0.300 . 1 . . . . 33 GLU C . 11254 1 378 . 1 1 33 33 GLU CA C 13 59.027 0.300 . 1 . . . . 33 GLU CA . 11254 1 379 . 1 1 33 33 GLU CB C 13 30.962 0.300 . 1 . . . . 33 GLU CB . 11254 1 380 . 1 1 33 33 GLU CG C 13 37.287 0.300 . 1 . . . . 33 GLU CG . 11254 1 381 . 1 1 33 33 GLU N N 15 118.446 0.300 . 1 . . . . 33 GLU N . 11254 1 382 . 1 1 34 34 PHE H H 1 9.312 0.030 . 1 . . . . 34 PHE H . 11254 1 383 . 1 1 34 34 PHE HA H 1 4.445 0.030 . 1 . . . . 34 PHE HA . 11254 1 384 . 1 1 34 34 PHE HB2 H 1 3.531 0.030 . 2 . . . . 34 PHE HB2 . 11254 1 385 . 1 1 34 34 PHE HB3 H 1 3.168 0.030 . 2 . . . . 34 PHE HB3 . 11254 1 386 . 1 1 34 34 PHE HD1 H 1 6.720 0.030 . 1 . . . . 34 PHE HD1 . 11254 1 387 . 1 1 34 34 PHE HD2 H 1 6.720 0.030 . 1 . . . . 34 PHE HD2 . 11254 1 388 . 1 1 34 34 PHE HE1 H 1 6.236 0.030 . 1 . . . . 34 PHE HE1 . 11254 1 389 . 1 1 34 34 PHE HE2 H 1 6.236 0.030 . 1 . . . . 34 PHE HE2 . 11254 1 390 . 1 1 34 34 PHE HZ H 1 6.677 0.030 . 1 . . . . 34 PHE HZ . 11254 1 391 . 1 1 34 34 PHE C C 13 177.478 0.300 . 1 . . . . 34 PHE C . 11254 1 392 . 1 1 34 34 PHE CA C 13 58.223 0.300 . 1 . . . . 34 PHE CA . 11254 1 393 . 1 1 34 34 PHE CB C 13 38.990 0.300 . 1 . . . . 34 PHE CB . 11254 1 394 . 1 1 34 34 PHE CD1 C 13 130.146 0.300 . 1 . . . . 34 PHE CD1 . 11254 1 395 . 1 1 34 34 PHE CD2 C 13 130.146 0.300 . 1 . . . . 34 PHE CD2 . 11254 1 396 . 1 1 34 34 PHE CE1 C 13 131.171 0.300 . 1 . . . . 34 PHE CE1 . 11254 1 397 . 1 1 34 34 PHE CE2 C 13 131.171 0.300 . 1 . . . . 34 PHE CE2 . 11254 1 398 . 1 1 34 34 PHE CZ C 13 128.141 0.300 . 1 . . . . 34 PHE CZ . 11254 1 399 . 1 1 34 34 PHE N N 15 122.571 0.300 . 1 . . . . 34 PHE N . 11254 1 400 . 1 1 35 35 LYS H H 1 8.829 0.030 . 1 . . . . 35 LYS H . 11254 1 401 . 1 1 35 35 LYS HA H 1 3.656 0.030 . 1 . . . . 35 LYS HA . 11254 1 402 . 1 1 35 35 LYS HB2 H 1 2.080 0.030 . 1 . . . . 35 LYS HB2 . 11254 1 403 . 1 1 35 35 LYS HB3 H 1 2.080 0.030 . 1 . . . . 35 LYS HB3 . 11254 1 404 . 1 1 35 35 LYS HD2 H 1 1.818 0.030 . 2 . . . . 35 LYS HD2 . 11254 1 405 . 1 1 35 35 LYS HD3 H 1 1.881 0.030 . 2 . . . . 35 LYS HD3 . 11254 1 406 . 1 1 35 35 LYS HE2 H 1 2.757 0.030 . 2 . . . . 35 LYS HE2 . 11254 1 407 . 1 1 35 35 LYS HE3 H 1 2.656 0.030 . 2 . . . . 35 LYS HE3 . 11254 1 408 . 1 1 35 35 LYS HG2 H 1 1.117 0.030 . 2 . . . . 35 LYS HG2 . 11254 1 409 . 1 1 35 35 LYS HG3 H 1 1.854 0.030 . 2 . . . . 35 LYS HG3 . 11254 1 410 . 1 1 35 35 LYS C C 13 178.134 0.300 . 1 . . . . 35 LYS C . 11254 1 411 . 1 1 35 35 LYS CA C 13 61.061 0.300 . 1 . . . . 35 LYS CA . 11254 1 412 . 1 1 35 35 LYS CB C 13 33.053 0.300 . 1 . . . . 35 LYS CB . 11254 1 413 . 1 1 35 35 LYS CD C 13 30.320 0.300 . 1 . . . . 35 LYS CD . 11254 1 414 . 1 1 35 35 LYS CE C 13 42.740 0.300 . 1 . . . . 35 LYS CE . 11254 1 415 . 1 1 35 35 LYS CG C 13 27.935 0.300 . 1 . . . . 35 LYS CG . 11254 1 416 . 1 1 35 35 LYS N N 15 118.477 0.300 . 1 . . . . 35 LYS N . 11254 1 417 . 1 1 36 36 CYS H H 1 7.231 0.030 . 1 . . . . 36 CYS H . 11254 1 418 . 1 1 36 36 CYS HA H 1 4.093 0.030 . 1 . . . . 36 CYS HA . 11254 1 419 . 1 1 36 36 CYS HB2 H 1 3.052 0.030 . 2 . . . . 36 CYS HB2 . 11254 1 420 . 1 1 36 36 CYS HB3 H 1 3.176 0.030 . 2 . . . . 36 CYS HB3 . 11254 1 421 . 1 1 36 36 CYS C C 13 178.268 0.300 . 1 . . . . 36 CYS C . 11254 1 422 . 1 1 36 36 CYS CA C 13 63.679 0.300 . 1 . . . . 36 CYS CA . 11254 1 423 . 1 1 36 36 CYS CB C 13 26.307 0.300 . 1 . . . . 36 CYS CB . 11254 1 424 . 1 1 36 36 CYS N N 15 114.654 0.300 . 1 . . . . 36 CYS N . 11254 1 425 . 1 1 37 37 LYS H H 1 7.855 0.030 . 1 . . . . 37 LYS H . 11254 1 426 . 1 1 37 37 LYS HA H 1 4.244 0.030 . 1 . . . . 37 LYS HA . 11254 1 427 . 1 1 37 37 LYS HB2 H 1 2.160 0.030 . 2 . . . . 37 LYS HB2 . 11254 1 428 . 1 1 37 37 LYS HB3 H 1 2.249 0.030 . 2 . . . . 37 LYS HB3 . 11254 1 429 . 1 1 37 37 LYS HD2 H 1 1.928 0.030 . 2 . . . . 37 LYS HD2 . 11254 1 430 . 1 1 37 37 LYS HD3 H 1 1.890 0.030 . 2 . . . . 37 LYS HD3 . 11254 1 431 . 1 1 37 37 LYS HE2 H 1 3.293 0.030 . 2 . . . . 37 LYS HE2 . 11254 1 432 . 1 1 37 37 LYS HE3 H 1 3.106 0.030 . 2 . . . . 37 LYS HE3 . 11254 1 433 . 1 1 37 37 LYS HG2 H 1 1.815 0.030 . 1 . . . . 37 LYS HG2 . 11254 1 434 . 1 1 37 37 LYS HG3 H 1 1.815 0.030 . 1 . . . . 37 LYS HG3 . 11254 1 435 . 1 1 37 37 LYS C C 13 180.471 0.300 . 1 . . . . 37 LYS C . 11254 1 436 . 1 1 37 37 LYS CA C 13 58.953 0.300 . 1 . . . . 37 LYS CA . 11254 1 437 . 1 1 37 37 LYS CB C 13 32.160 0.300 . 1 . . . . 37 LYS CB . 11254 1 438 . 1 1 37 37 LYS CD C 13 28.922 0.300 . 1 . . . . 37 LYS CD . 11254 1 439 . 1 1 37 37 LYS CE C 13 42.576 0.300 . 1 . . . . 37 LYS CE . 11254 1 440 . 1 1 37 37 LYS CG C 13 25.468 0.300 . 1 . . . . 37 LYS CG . 11254 1 441 . 1 1 37 37 LYS N N 15 118.859 0.300 . 1 . . . . 37 LYS N . 11254 1 442 . 1 1 38 38 LEU H H 1 8.512 0.030 . 1 . . . . 38 LEU H . 11254 1 443 . 1 1 38 38 LEU HA H 1 3.963 0.030 . 1 . . . . 38 LEU HA . 11254 1 444 . 1 1 38 38 LEU HB2 H 1 0.955 0.030 . 2 . . . . 38 LEU HB2 . 11254 1 445 . 1 1 38 38 LEU HB3 H 1 1.733 0.030 . 2 . . . . 38 LEU HB3 . 11254 1 446 . 1 1 38 38 LEU HD11 H 1 -0.144 0.030 . 1 . . . . 38 LEU HD1 . 11254 1 447 . 1 1 38 38 LEU HD12 H 1 -0.144 0.030 . 1 . . . . 38 LEU HD1 . 11254 1 448 . 1 1 38 38 LEU HD13 H 1 -0.144 0.030 . 1 . . . . 38 LEU HD1 . 11254 1 449 . 1 1 38 38 LEU HD21 H 1 0.471 0.030 . 1 . . . . 38 LEU HD2 . 11254 1 450 . 1 1 38 38 LEU HD22 H 1 0.471 0.030 . 1 . . . . 38 LEU HD2 . 11254 1 451 . 1 1 38 38 LEU HD23 H 1 0.471 0.030 . 1 . . . . 38 LEU HD2 . 11254 1 452 . 1 1 38 38 LEU HG H 1 0.901 0.030 . 1 . . . . 38 LEU HG . 11254 1 453 . 1 1 38 38 LEU C C 13 179.290 0.300 . 1 . . . . 38 LEU C . 11254 1 454 . 1 1 38 38 LEU CA C 13 56.997 0.300 . 1 . . . . 38 LEU CA . 11254 1 455 . 1 1 38 38 LEU CB C 13 41.890 0.300 . 1 . . . . 38 LEU CB . 11254 1 456 . 1 1 38 38 LEU CD1 C 13 25.710 0.300 . 2 . . . . 38 LEU CD1 . 11254 1 457 . 1 1 38 38 LEU CD2 C 13 22.366 0.300 . 2 . . . . 38 LEU CD2 . 11254 1 458 . 1 1 38 38 LEU CG C 13 25.797 0.300 . 1 . . . . 38 LEU CG . 11254 1 459 . 1 1 38 38 LEU N N 15 120.704 0.300 . 1 . . . . 38 LEU N . 11254 1 460 . 1 1 39 39 GLU H H 1 7.991 0.030 . 1 . . . . 39 GLU H . 11254 1 461 . 1 1 39 39 GLU HA H 1 4.099 0.030 . 1 . . . . 39 GLU HA . 11254 1 462 . 1 1 39 39 GLU HB2 H 1 2.037 0.030 . 2 . . . . 39 GLU HB2 . 11254 1 463 . 1 1 39 39 GLU HB3 H 1 2.293 0.030 . 2 . . . . 39 GLU HB3 . 11254 1 464 . 1 1 39 39 GLU HG2 H 1 2.295 0.030 . 2 . . . . 39 GLU HG2 . 11254 1 465 . 1 1 39 39 GLU HG3 H 1 2.608 0.030 . 2 . . . . 39 GLU HG3 . 11254 1 466 . 1 1 39 39 GLU C C 13 179.134 0.300 . 1 . . . . 39 GLU C . 11254 1 467 . 1 1 39 39 GLU CA C 13 59.823 0.300 . 1 . . . . 39 GLU CA . 11254 1 468 . 1 1 39 39 GLU CB C 13 29.790 0.300 . 1 . . . . 39 GLU CB . 11254 1 469 . 1 1 39 39 GLU CG C 13 35.996 0.300 . 1 . . . . 39 GLU CG . 11254 1 470 . 1 1 39 39 GLU N N 15 122.877 0.300 . 1 . . . . 39 GLU N . 11254 1 471 . 1 1 40 40 LEU H H 1 7.156 0.030 . 1 . . . . 40 LEU H . 11254 1 472 . 1 1 40 40 LEU HA H 1 4.195 0.030 . 1 . . . . 40 LEU HA . 11254 1 473 . 1 1 40 40 LEU HB2 H 1 1.913 0.030 . 2 . . . . 40 LEU HB2 . 11254 1 474 . 1 1 40 40 LEU HB3 H 1 1.719 0.030 . 2 . . . . 40 LEU HB3 . 11254 1 475 . 1 1 40 40 LEU HD11 H 1 1.050 0.030 . 1 . . . . 40 LEU HD1 . 11254 1 476 . 1 1 40 40 LEU HD12 H 1 1.050 0.030 . 1 . . . . 40 LEU HD1 . 11254 1 477 . 1 1 40 40 LEU HD13 H 1 1.050 0.030 . 1 . . . . 40 LEU HD1 . 11254 1 478 . 1 1 40 40 LEU HD21 H 1 0.946 0.030 . 1 . . . . 40 LEU HD2 . 11254 1 479 . 1 1 40 40 LEU HD22 H 1 0.946 0.030 . 1 . . . . 40 LEU HD2 . 11254 1 480 . 1 1 40 40 LEU HD23 H 1 0.946 0.030 . 1 . . . . 40 LEU HD2 . 11254 1 481 . 1 1 40 40 LEU HG H 1 1.858 0.030 . 1 . . . . 40 LEU HG . 11254 1 482 . 1 1 40 40 LEU C C 13 177.814 0.300 . 1 . . . . 40 LEU C . 11254 1 483 . 1 1 40 40 LEU CA C 13 56.473 0.300 . 1 . . . . 40 LEU CA . 11254 1 484 . 1 1 40 40 LEU CB C 13 41.981 0.300 . 1 . . . . 40 LEU CB . 11254 1 485 . 1 1 40 40 LEU CD1 C 13 25.177 0.300 . 2 . . . . 40 LEU CD1 . 11254 1 486 . 1 1 40 40 LEU CD2 C 13 22.933 0.300 . 2 . . . . 40 LEU CD2 . 11254 1 487 . 1 1 40 40 LEU CG C 13 27.359 0.300 . 1 . . . . 40 LEU CG . 11254 1 488 . 1 1 40 40 LEU N N 15 115.281 0.300 . 1 . . . . 40 LEU N . 11254 1 489 . 1 1 41 41 VAL H H 1 7.434 0.030 . 1 . . . . 41 VAL H . 11254 1 490 . 1 1 41 41 VAL HA H 1 4.006 0.030 . 1 . . . . 41 VAL HA . 11254 1 491 . 1 1 41 41 VAL HB H 1 2.168 0.030 . 1 . . . . 41 VAL HB . 11254 1 492 . 1 1 41 41 VAL HG11 H 1 1.005 0.030 . 1 . . . . 41 VAL HG1 . 11254 1 493 . 1 1 41 41 VAL HG12 H 1 1.005 0.030 . 1 . . . . 41 VAL HG1 . 11254 1 494 . 1 1 41 41 VAL HG13 H 1 1.005 0.030 . 1 . . . . 41 VAL HG1 . 11254 1 495 . 1 1 41 41 VAL HG21 H 1 1.137 0.030 . 1 . . . . 41 VAL HG2 . 11254 1 496 . 1 1 41 41 VAL HG22 H 1 1.137 0.030 . 1 . . . . 41 VAL HG2 . 11254 1 497 . 1 1 41 41 VAL HG23 H 1 1.137 0.030 . 1 . . . . 41 VAL HG2 . 11254 1 498 . 1 1 41 41 VAL C C 13 177.229 0.300 . 1 . . . . 41 VAL C . 11254 1 499 . 1 1 41 41 VAL CA C 13 64.410 0.300 . 1 . . . . 41 VAL CA . 11254 1 500 . 1 1 41 41 VAL CB C 13 33.371 0.300 . 1 . . . . 41 VAL CB . 11254 1 501 . 1 1 41 41 VAL CG1 C 13 21.384 0.300 . 2 . . . . 41 VAL CG1 . 11254 1 502 . 1 1 41 41 VAL CG2 C 13 21.918 0.300 . 2 . . . . 41 VAL CG2 . 11254 1 503 . 1 1 41 41 VAL N N 15 117.645 0.300 . 1 . . . . 41 VAL N . 11254 1 504 . 1 1 42 42 VAL H H 1 8.185 0.030 . 1 . . . . 42 VAL H . 11254 1 505 . 1 1 42 42 VAL HA H 1 4.306 0.030 . 1 . . . . 42 VAL HA . 11254 1 506 . 1 1 42 42 VAL HB H 1 2.230 0.030 . 1 . . . . 42 VAL HB . 11254 1 507 . 1 1 42 42 VAL HG11 H 1 0.892 0.030 . 1 . . . . 42 VAL HG1 . 11254 1 508 . 1 1 42 42 VAL HG12 H 1 0.892 0.030 . 1 . . . . 42 VAL HG1 . 11254 1 509 . 1 1 42 42 VAL HG13 H 1 0.892 0.030 . 1 . . . . 42 VAL HG1 . 11254 1 510 . 1 1 42 42 VAL HG21 H 1 0.903 0.030 . 1 . . . . 42 VAL HG2 . 11254 1 511 . 1 1 42 42 VAL HG22 H 1 0.903 0.030 . 1 . . . . 42 VAL HG2 . 11254 1 512 . 1 1 42 42 VAL HG23 H 1 0.903 0.030 . 1 . . . . 42 VAL HG2 . 11254 1 513 . 1 1 42 42 VAL C C 13 177.143 0.300 . 1 . . . . 42 VAL C . 11254 1 514 . 1 1 42 42 VAL CA C 13 61.884 0.300 . 1 . . . . 42 VAL CA . 11254 1 515 . 1 1 42 42 VAL CB C 13 33.144 0.300 . 1 . . . . 42 VAL CB . 11254 1 516 . 1 1 42 42 VAL CG1 C 13 22.260 0.300 . 2 . . . . 42 VAL CG1 . 11254 1 517 . 1 1 42 42 VAL CG2 C 13 20.450 0.300 . 2 . . . . 42 VAL CG2 . 11254 1 518 . 1 1 42 42 VAL N N 15 111.274 0.300 . 1 . . . . 42 VAL N . 11254 1 519 . 1 1 43 43 GLY H H 1 7.693 0.030 . 1 . . . . 43 GLY H . 11254 1 520 . 1 1 43 43 GLY HA2 H 1 3.861 0.030 . 2 . . . . 43 GLY HA2 . 11254 1 521 . 1 1 43 43 GLY HA3 H 1 4.025 0.030 . 2 . . . . 43 GLY HA3 . 11254 1 522 . 1 1 43 43 GLY C C 13 173.472 0.300 . 1 . . . . 43 GLY C . 11254 1 523 . 1 1 43 43 GLY CA C 13 46.513 0.300 . 1 . . . . 43 GLY CA . 11254 1 524 . 1 1 43 43 GLY N N 15 108.206 0.300 . 1 . . . . 43 GLY N . 11254 1 525 . 1 1 44 44 SER H H 1 6.944 0.030 . 1 . . . . 44 SER H . 11254 1 526 . 1 1 44 44 SER HA H 1 4.728 0.030 . 1 . . . . 44 SER HA . 11254 1 527 . 1 1 44 44 SER HB2 H 1 3.412 0.030 . 2 . . . . 44 SER HB2 . 11254 1 528 . 1 1 44 44 SER HB3 H 1 3.607 0.030 . 2 . . . . 44 SER HB3 . 11254 1 529 . 1 1 44 44 SER C C 13 170.418 0.300 . 1 . . . . 44 SER C . 11254 1 530 . 1 1 44 44 SER CA C 13 56.286 0.300 . 1 . . . . 44 SER CA . 11254 1 531 . 1 1 44 44 SER CB C 13 64.040 0.300 . 1 . . . . 44 SER CB . 11254 1 532 . 1 1 44 44 SER N N 15 115.855 0.300 . 1 . . . . 44 SER N . 11254 1 533 . 1 1 45 45 PRO HA H 1 4.306 0.030 . 1 . . . . 45 PRO HA . 11254 1 534 . 1 1 45 45 PRO HB2 H 1 2.347 0.030 . 2 . . . . 45 PRO HB2 . 11254 1 535 . 1 1 45 45 PRO HB3 H 1 1.898 0.030 . 2 . . . . 45 PRO HB3 . 11254 1 536 . 1 1 45 45 PRO HD2 H 1 3.490 0.030 . 2 . . . . 45 PRO HD2 . 11254 1 537 . 1 1 45 45 PRO HD3 H 1 3.787 0.030 . 2 . . . . 45 PRO HD3 . 11254 1 538 . 1 1 45 45 PRO HG2 H 1 2.020 0.030 . 1 . . . . 45 PRO HG2 . 11254 1 539 . 1 1 45 45 PRO HG3 H 1 2.020 0.030 . 1 . . . . 45 PRO HG3 . 11254 1 540 . 1 1 45 45 PRO C C 13 179.686 0.300 . 1 . . . . 45 PRO C . 11254 1 541 . 1 1 45 45 PRO CA C 13 62.920 0.300 . 1 . . . . 45 PRO CA . 11254 1 542 . 1 1 45 45 PRO CB C 13 32.157 0.300 . 1 . . . . 45 PRO CB . 11254 1 543 . 1 1 45 45 PRO CD C 13 50.636 0.300 . 1 . . . . 45 PRO CD . 11254 1 544 . 1 1 45 45 PRO CG C 13 28.100 0.300 . 1 . . . . 45 PRO CG . 11254 1 545 . 1 1 46 46 ALA H H 1 9.911 0.030 . 1 . . . . 46 ALA H . 11254 1 546 . 1 1 46 46 ALA HA H 1 4.194 0.030 . 1 . . . . 46 ALA HA . 11254 1 547 . 1 1 46 46 ALA HB1 H 1 1.445 0.030 . 1 . . . . 46 ALA HB . 11254 1 548 . 1 1 46 46 ALA HB2 H 1 1.445 0.030 . 1 . . . . 46 ALA HB . 11254 1 549 . 1 1 46 46 ALA HB3 H 1 1.445 0.030 . 1 . . . . 46 ALA HB . 11254 1 550 . 1 1 46 46 ALA C C 13 179.868 0.300 . 1 . . . . 46 ALA C . 11254 1 551 . 1 1 46 46 ALA CA C 13 55.110 0.300 . 1 . . . . 46 ALA CA . 11254 1 552 . 1 1 46 46 ALA CB C 13 19.079 0.300 . 1 . . . . 46 ALA CB . 11254 1 553 . 1 1 46 46 ALA N N 15 130.526 0.300 . 1 . . . . 46 ALA N . 11254 1 554 . 1 1 47 47 SER H H 1 8.310 0.030 . 1 . . . . 47 SER H . 11254 1 555 . 1 1 47 47 SER HA H 1 4.200 0.030 . 1 . . . . 47 SER HA . 11254 1 556 . 1 1 47 47 SER HB2 H 1 4.018 0.030 . 2 . . . . 47 SER HB2 . 11254 1 557 . 1 1 47 47 SER HB3 H 1 3.930 0.030 . 2 . . . . 47 SER HB3 . 11254 1 558 . 1 1 47 47 SER C C 13 175.470 0.300 . 1 . . . . 47 SER C . 11254 1 559 . 1 1 47 47 SER CA C 13 60.120 0.300 . 1 . . . . 47 SER CA . 11254 1 560 . 1 1 47 47 SER CB C 13 62.782 0.300 . 1 . . . . 47 SER CB . 11254 1 561 . 1 1 47 47 SER N N 15 109.410 0.300 . 1 . . . . 47 SER N . 11254 1 562 . 1 1 48 48 CYS H H 1 7.621 0.030 . 1 . . . . 48 CYS H . 11254 1 563 . 1 1 48 48 CYS HA H 1 4.844 0.030 . 1 . . . . 48 CYS HA . 11254 1 564 . 1 1 48 48 CYS HB2 H 1 2.951 0.030 . 2 . . . . 48 CYS HB2 . 11254 1 565 . 1 1 48 48 CYS HB3 H 1 2.668 0.030 . 2 . . . . 48 CYS HB3 . 11254 1 566 . 1 1 48 48 CYS C C 13 173.077 0.300 . 1 . . . . 48 CYS C . 11254 1 567 . 1 1 48 48 CYS CA C 13 57.576 0.300 . 1 . . . . 48 CYS CA . 11254 1 568 . 1 1 48 48 CYS CB C 13 29.383 0.300 . 1 . . . . 48 CYS CB . 11254 1 569 . 1 1 48 48 CYS N N 15 117.369 0.300 . 1 . . . . 48 CYS N . 11254 1 570 . 1 1 49 49 MET H H 1 7.214 0.030 . 1 . . . . 49 MET H . 11254 1 571 . 1 1 49 49 MET HA H 1 4.644 0.030 . 1 . . . . 49 MET HA . 11254 1 572 . 1 1 49 49 MET HB2 H 1 1.914 0.030 . 2 . . . . 49 MET HB2 . 11254 1 573 . 1 1 49 49 MET HB3 H 1 1.596 0.030 . 2 . . . . 49 MET HB3 . 11254 1 574 . 1 1 49 49 MET HE1 H 1 1.702 0.030 . 1 . . . . 49 MET HE . 11254 1 575 . 1 1 49 49 MET HE2 H 1 1.702 0.030 . 1 . . . . 49 MET HE . 11254 1 576 . 1 1 49 49 MET HE3 H 1 1.702 0.030 . 1 . . . . 49 MET HE . 11254 1 577 . 1 1 49 49 MET HG2 H 1 2.631 0.030 . 2 . . . . 49 MET HG2 . 11254 1 578 . 1 1 49 49 MET HG3 H 1 2.010 0.030 . 2 . . . . 49 MET HG3 . 11254 1 579 . 1 1 49 49 MET C C 13 175.979 0.300 . 1 . . . . 49 MET C . 11254 1 580 . 1 1 49 49 MET CA C 13 56.955 0.300 . 1 . . . . 49 MET CA . 11254 1 581 . 1 1 49 49 MET CB C 13 35.591 0.300 . 1 . . . . 49 MET CB . 11254 1 582 . 1 1 49 49 MET CE C 13 17.033 0.300 . 1 . . . . 49 MET CE . 11254 1 583 . 1 1 49 49 MET CG C 13 32.706 0.300 . 1 . . . . 49 MET CG . 11254 1 584 . 1 1 49 49 MET N N 15 119.395 0.300 . 1 . . . . 49 MET N . 11254 1 585 . 1 1 50 50 GLU H H 1 8.927 0.030 . 1 . . . . 50 GLU H . 11254 1 586 . 1 1 50 50 GLU HA H 1 4.644 0.030 . 1 . . . . 50 GLU HA . 11254 1 587 . 1 1 50 50 GLU HB2 H 1 2.036 0.030 . 2 . . . . 50 GLU HB2 . 11254 1 588 . 1 1 50 50 GLU HB3 H 1 2.210 0.030 . 2 . . . . 50 GLU HB3 . 11254 1 589 . 1 1 50 50 GLU HG2 H 1 2.424 0.030 . 2 . . . . 50 GLU HG2 . 11254 1 590 . 1 1 50 50 GLU HG3 H 1 2.046 0.030 . 2 . . . . 50 GLU HG3 . 11254 1 591 . 1 1 50 50 GLU C C 13 174.020 0.300 . 1 . . . . 50 GLU C . 11254 1 592 . 1 1 50 50 GLU CA C 13 54.503 0.300 . 1 . . . . 50 GLU CA . 11254 1 593 . 1 1 50 50 GLU CB C 13 32.827 0.300 . 1 . . . . 50 GLU CB . 11254 1 594 . 1 1 50 50 GLU CG C 13 35.913 0.300 . 1 . . . . 50 GLU CG . 11254 1 595 . 1 1 50 50 GLU N N 15 124.758 0.300 . 1 . . . . 50 GLU N . 11254 1 596 . 1 1 51 51 LEU H H 1 8.723 0.030 . 1 . . . . 51 LEU H . 11254 1 597 . 1 1 51 51 LEU HA H 1 5.424 0.030 . 1 . . . . 51 LEU HA . 11254 1 598 . 1 1 51 51 LEU HB2 H 1 2.055 0.030 . 2 . . . . 51 LEU HB2 . 11254 1 599 . 1 1 51 51 LEU HB3 H 1 1.105 0.030 . 2 . . . . 51 LEU HB3 . 11254 1 600 . 1 1 51 51 LEU HD11 H 1 0.809 0.030 . 1 . . . . 51 LEU HD1 . 11254 1 601 . 1 1 51 51 LEU HD12 H 1 0.809 0.030 . 1 . . . . 51 LEU HD1 . 11254 1 602 . 1 1 51 51 LEU HD13 H 1 0.809 0.030 . 1 . . . . 51 LEU HD1 . 11254 1 603 . 1 1 51 51 LEU HD21 H 1 0.718 0.030 . 1 . . . . 51 LEU HD2 . 11254 1 604 . 1 1 51 51 LEU HD22 H 1 0.718 0.030 . 1 . . . . 51 LEU HD2 . 11254 1 605 . 1 1 51 51 LEU HD23 H 1 0.718 0.030 . 1 . . . . 51 LEU HD2 . 11254 1 606 . 1 1 51 51 LEU HG H 1 1.505 0.030 . 1 . . . . 51 LEU HG . 11254 1 607 . 1 1 51 51 LEU C C 13 176.931 0.300 . 1 . . . . 51 LEU C . 11254 1 608 . 1 1 51 51 LEU CA C 13 53.270 0.300 . 1 . . . . 51 LEU CA . 11254 1 609 . 1 1 51 51 LEU CB C 13 45.202 0.300 . 1 . . . . 51 LEU CB . 11254 1 610 . 1 1 51 51 LEU CD1 C 13 26.503 0.300 . 2 . . . . 51 LEU CD1 . 11254 1 611 . 1 1 51 51 LEU CD2 C 13 25.300 0.300 . 2 . . . . 51 LEU CD2 . 11254 1 612 . 1 1 51 51 LEU CG C 13 27.291 0.300 . 1 . . . . 51 LEU CG . 11254 1 613 . 1 1 51 51 LEU N N 15 123.571 0.300 . 1 . . . . 51 LEU N . 11254 1 614 . 1 1 52 52 GLU H H 1 9.248 0.030 . 1 . . . . 52 GLU H . 11254 1 615 . 1 1 52 52 GLU HA H 1 4.844 0.030 . 1 . . . . 52 GLU HA . 11254 1 616 . 1 1 52 52 GLU HB2 H 1 2.603 0.030 . 2 . . . . 52 GLU HB2 . 11254 1 617 . 1 1 52 52 GLU HB3 H 1 1.986 0.030 . 2 . . . . 52 GLU HB3 . 11254 1 618 . 1 1 52 52 GLU HG2 H 1 2.479 0.030 . 2 . . . . 52 GLU HG2 . 11254 1 619 . 1 1 52 52 GLU HG3 H 1 2.226 0.030 . 2 . . . . 52 GLU HG3 . 11254 1 620 . 1 1 52 52 GLU C C 13 173.565 0.300 . 1 . . . . 52 GLU C . 11254 1 621 . 1 1 52 52 GLU CA C 13 54.924 0.300 . 1 . . . . 52 GLU CA . 11254 1 622 . 1 1 52 52 GLU CB C 13 35.999 0.300 . 1 . . . . 52 GLU CB . 11254 1 623 . 1 1 52 52 GLU CG C 13 37.641 0.300 . 1 . . . . 52 GLU CG . 11254 1 624 . 1 1 52 52 GLU N N 15 120.527 0.300 . 1 . . . . 52 GLU N . 11254 1 625 . 1 1 53 53 LEU H H 1 8.702 0.030 . 1 . . . . 53 LEU H . 11254 1 626 . 1 1 53 53 LEU HA H 1 5.225 0.030 . 1 . . . . 53 LEU HA . 11254 1 627 . 1 1 53 53 LEU HB2 H 1 1.751 0.030 . 2 . . . . 53 LEU HB2 . 11254 1 628 . 1 1 53 53 LEU HB3 H 1 1.091 0.030 . 2 . . . . 53 LEU HB3 . 11254 1 629 . 1 1 53 53 LEU HD11 H 1 0.970 0.030 . 1 . . . . 53 LEU HD1 . 11254 1 630 . 1 1 53 53 LEU HD12 H 1 0.970 0.030 . 1 . . . . 53 LEU HD1 . 11254 1 631 . 1 1 53 53 LEU HD13 H 1 0.970 0.030 . 1 . . . . 53 LEU HD1 . 11254 1 632 . 1 1 53 53 LEU HD21 H 1 0.744 0.030 . 1 . . . . 53 LEU HD2 . 11254 1 633 . 1 1 53 53 LEU HD22 H 1 0.744 0.030 . 1 . . . . 53 LEU HD2 . 11254 1 634 . 1 1 53 53 LEU HD23 H 1 0.744 0.030 . 1 . . . . 53 LEU HD2 . 11254 1 635 . 1 1 53 53 LEU HG H 1 1.355 0.030 . 1 . . . . 53 LEU HG . 11254 1 636 . 1 1 53 53 LEU C C 13 173.564 0.300 . 1 . . . . 53 LEU C . 11254 1 637 . 1 1 53 53 LEU CA C 13 53.705 0.300 . 1 . . . . 53 LEU CA . 11254 1 638 . 1 1 53 53 LEU CB C 13 44.977 0.300 . 1 . . . . 53 LEU CB . 11254 1 639 . 1 1 53 53 LEU CD1 C 13 24.464 0.300 . 2 . . . . 53 LEU CD1 . 11254 1 640 . 1 1 53 53 LEU CD2 C 13 26.818 0.300 . 2 . . . . 53 LEU CD2 . 11254 1 641 . 1 1 53 53 LEU CG C 13 28.058 0.300 . 1 . . . . 53 LEU CG . 11254 1 642 . 1 1 53 53 LEU N N 15 122.545 0.300 . 1 . . . . 53 LEU N . 11254 1 643 . 1 1 54 54 TYR H H 1 9.805 0.030 . 1 . . . . 54 TYR H . 11254 1 644 . 1 1 54 54 TYR HA H 1 4.856 0.030 . 1 . . . . 54 TYR HA . 11254 1 645 . 1 1 54 54 TYR HB2 H 1 2.905 0.030 . 2 . . . . 54 TYR HB2 . 11254 1 646 . 1 1 54 54 TYR HB3 H 1 2.743 0.030 . 2 . . . . 54 TYR HB3 . 11254 1 647 . 1 1 54 54 TYR HD1 H 1 6.889 0.030 . 1 . . . . 54 TYR HD1 . 11254 1 648 . 1 1 54 54 TYR HD2 H 1 6.889 0.030 . 1 . . . . 54 TYR HD2 . 11254 1 649 . 1 1 54 54 TYR HE1 H 1 6.917 0.030 . 1 . . . . 54 TYR HE1 . 11254 1 650 . 1 1 54 54 TYR HE2 H 1 6.917 0.030 . 1 . . . . 54 TYR HE2 . 11254 1 651 . 1 1 54 54 TYR C C 13 176.059 0.300 . 1 . . . . 54 TYR C . 11254 1 652 . 1 1 54 54 TYR CA C 13 56.265 0.300 . 1 . . . . 54 TYR CA . 11254 1 653 . 1 1 54 54 TYR CB C 13 42.524 0.300 . 1 . . . . 54 TYR CB . 11254 1 654 . 1 1 54 54 TYR CD1 C 13 132.619 0.300 . 1 . . . . 54 TYR CD1 . 11254 1 655 . 1 1 54 54 TYR CD2 C 13 132.619 0.300 . 1 . . . . 54 TYR CD2 . 11254 1 656 . 1 1 54 54 TYR CE1 C 13 118.397 0.300 . 1 . . . . 54 TYR CE1 . 11254 1 657 . 1 1 54 54 TYR CE2 C 13 118.397 0.300 . 1 . . . . 54 TYR CE2 . 11254 1 658 . 1 1 54 54 TYR N N 15 126.773 0.300 . 1 . . . . 54 TYR N . 11254 1 659 . 1 1 55 55 GLY H H 1 8.723 0.030 . 1 . . . . 55 GLY H . 11254 1 660 . 1 1 55 55 GLY HA2 H 1 4.469 0.030 . 2 . . . . 55 GLY HA2 . 11254 1 661 . 1 1 55 55 GLY HA3 H 1 3.781 0.030 . 2 . . . . 55 GLY HA3 . 11254 1 662 . 1 1 55 55 GLY C C 13 175.683 0.300 . 1 . . . . 55 GLY C . 11254 1 663 . 1 1 55 55 GLY CA C 13 45.124 0.300 . 1 . . . . 55 GLY CA . 11254 1 664 . 1 1 55 55 GLY N N 15 105.567 0.300 . 1 . . . . 55 GLY N . 11254 1 665 . 1 1 56 56 ALA H H 1 9.148 0.030 . 1 . . . . 56 ALA H . 11254 1 666 . 1 1 56 56 ALA HA H 1 4.265 0.030 . 1 . . . . 56 ALA HA . 11254 1 667 . 1 1 56 56 ALA HB1 H 1 1.434 0.030 . 1 . . . . 56 ALA HB . 11254 1 668 . 1 1 56 56 ALA HB2 H 1 1.434 0.030 . 1 . . . . 56 ALA HB . 11254 1 669 . 1 1 56 56 ALA HB3 H 1 1.434 0.030 . 1 . . . . 56 ALA HB . 11254 1 670 . 1 1 56 56 ALA C C 13 177.503 0.300 . 1 . . . . 56 ALA C . 11254 1 671 . 1 1 56 56 ALA CA C 13 54.562 0.300 . 1 . . . . 56 ALA CA . 11254 1 672 . 1 1 56 56 ALA CB C 13 18.045 0.300 . 1 . . . . 56 ALA CB . 11254 1 673 . 1 1 56 56 ALA N N 15 125.091 0.300 . 1 . . . . 56 ALA N . 11254 1 674 . 1 1 57 57 ASP H H 1 8.254 0.030 . 1 . . . . 57 ASP H . 11254 1 675 . 1 1 57 57 ASP HA H 1 4.433 0.030 . 1 . . . . 57 ASP HA . 11254 1 676 . 1 1 57 57 ASP HB2 H 1 2.612 0.030 . 2 . . . . 57 ASP HB2 . 11254 1 677 . 1 1 57 57 ASP HB3 H 1 3.040 0.030 . 2 . . . . 57 ASP HB3 . 11254 1 678 . 1 1 57 57 ASP C C 13 176.164 0.300 . 1 . . . . 57 ASP C . 11254 1 679 . 1 1 57 57 ASP CA C 13 52.891 0.300 . 1 . . . . 57 ASP CA . 11254 1 680 . 1 1 57 57 ASP CB C 13 39.828 0.300 . 1 . . . . 57 ASP CB . 11254 1 681 . 1 1 57 57 ASP N N 15 115.355 0.300 . 1 . . . . 57 ASP N . 11254 1 682 . 1 1 58 58 ASP H H 1 8.294 0.030 . 1 . . . . 58 ASP H . 11254 1 683 . 1 1 58 58 ASP HA H 1 4.406 0.030 . 1 . . . . 58 ASP HA . 11254 1 684 . 1 1 58 58 ASP HB2 H 1 2.943 0.030 . 2 . . . . 58 ASP HB2 . 11254 1 685 . 1 1 58 58 ASP HB3 H 1 2.668 0.030 . 2 . . . . 58 ASP HB3 . 11254 1 686 . 1 1 58 58 ASP C C 13 174.787 0.300 . 1 . . . . 58 ASP C . 11254 1 687 . 1 1 58 58 ASP CA C 13 56.311 0.300 . 1 . . . . 58 ASP CA . 11254 1 688 . 1 1 58 58 ASP CB C 13 40.363 0.300 . 1 . . . . 58 ASP CB . 11254 1 689 . 1 1 58 58 ASP N N 15 115.679 0.300 . 1 . . . . 58 ASP N . 11254 1 690 . 1 1 59 59 LYS H H 1 7.621 0.030 . 1 . . . . 59 LYS H . 11254 1 691 . 1 1 59 59 LYS HA H 1 4.445 0.030 . 1 . . . . 59 LYS HA . 11254 1 692 . 1 1 59 59 LYS HB2 H 1 1.874 0.030 . 1 . . . . 59 LYS HB2 . 11254 1 693 . 1 1 59 59 LYS HB3 H 1 1.874 0.030 . 1 . . . . 59 LYS HB3 . 11254 1 694 . 1 1 59 59 LYS HD2 H 1 1.791 0.030 . 1 . . . . 59 LYS HD2 . 11254 1 695 . 1 1 59 59 LYS HD3 H 1 1.791 0.030 . 1 . . . . 59 LYS HD3 . 11254 1 696 . 1 1 59 59 LYS HE2 H 1 3.060 0.030 . 1 . . . . 59 LYS HE2 . 11254 1 697 . 1 1 59 59 LYS HE3 H 1 3.060 0.030 . 1 . . . . 59 LYS HE3 . 11254 1 698 . 1 1 59 59 LYS HG2 H 1 1.399 0.030 . 2 . . . . 59 LYS HG2 . 11254 1 699 . 1 1 59 59 LYS HG3 H 1 1.484 0.030 . 2 . . . . 59 LYS HG3 . 11254 1 700 . 1 1 59 59 LYS C C 13 176.689 0.300 . 1 . . . . 59 LYS C . 11254 1 701 . 1 1 59 59 LYS CA C 13 56.137 0.300 . 1 . . . . 59 LYS CA . 11254 1 702 . 1 1 59 59 LYS CB C 13 33.189 0.300 . 1 . . . . 59 LYS CB . 11254 1 703 . 1 1 59 59 LYS CD C 13 29.087 0.300 . 1 . . . . 59 LYS CD . 11254 1 704 . 1 1 59 59 LYS CE C 13 42.411 0.300 . 1 . . . . 59 LYS CE . 11254 1 705 . 1 1 59 59 LYS CG C 13 25.303 0.300 . 1 . . . . 59 LYS CG . 11254 1 706 . 1 1 59 59 LYS N N 15 118.897 0.300 . 1 . . . . 59 LYS N . 11254 1 707 . 1 1 60 60 PHE H H 1 9.002 0.030 . 1 . . . . 60 PHE H . 11254 1 708 . 1 1 60 60 PHE HA H 1 3.618 0.030 . 1 . . . . 60 PHE HA . 11254 1 709 . 1 1 60 60 PHE HB2 H 1 3.043 0.030 . 2 . . . . 60 PHE HB2 . 11254 1 710 . 1 1 60 60 PHE HB3 H 1 2.793 0.030 . 2 . . . . 60 PHE HB3 . 11254 1 711 . 1 1 60 60 PHE HD1 H 1 6.642 0.030 . 1 . . . . 60 PHE HD1 . 11254 1 712 . 1 1 60 60 PHE HD2 H 1 6.642 0.030 . 1 . . . . 60 PHE HD2 . 11254 1 713 . 1 1 60 60 PHE HE1 H 1 6.998 0.030 . 1 . . . . 60 PHE HE1 . 11254 1 714 . 1 1 60 60 PHE HE2 H 1 6.998 0.030 . 1 . . . . 60 PHE HE2 . 11254 1 715 . 1 1 60 60 PHE HZ H 1 7.114 0.030 . 1 . . . . 60 PHE HZ . 11254 1 716 . 1 1 60 60 PHE C C 13 175.214 0.300 . 1 . . . . 60 PHE C . 11254 1 717 . 1 1 60 60 PHE CA C 13 59.692 0.300 . 1 . . . . 60 PHE CA . 11254 1 718 . 1 1 60 60 PHE CB C 13 39.036 0.300 . 1 . . . . 60 PHE CB . 11254 1 719 . 1 1 60 60 PHE CD1 C 13 131.575 0.300 . 1 . . . . 60 PHE CD1 . 11254 1 720 . 1 1 60 60 PHE CD2 C 13 131.575 0.300 . 1 . . . . 60 PHE CD2 . 11254 1 721 . 1 1 60 60 PHE CE1 C 13 130.814 0.300 . 1 . . . . 60 PHE CE1 . 11254 1 722 . 1 1 60 60 PHE CE2 C 13 130.814 0.300 . 1 . . . . 60 PHE CE2 . 11254 1 723 . 1 1 60 60 PHE CZ C 13 128.878 0.300 . 1 . . . . 60 PHE CZ . 11254 1 724 . 1 1 60 60 PHE N N 15 125.702 0.300 . 1 . . . . 60 PHE N . 11254 1 725 . 1 1 61 61 TYR H H 1 8.578 0.030 . 1 . . . . 61 TYR H . 11254 1 726 . 1 1 61 61 TYR HA H 1 4.706 0.030 . 1 . . . . 61 TYR HA . 11254 1 727 . 1 1 61 61 TYR HB2 H 1 2.597 0.030 . 2 . . . . 61 TYR HB2 . 11254 1 728 . 1 1 61 61 TYR HB3 H 1 2.707 0.030 . 2 . . . . 61 TYR HB3 . 11254 1 729 . 1 1 61 61 TYR HD1 H 1 6.911 0.030 . 1 . . . . 61 TYR HD1 . 11254 1 730 . 1 1 61 61 TYR HD2 H 1 6.911 0.030 . 1 . . . . 61 TYR HD2 . 11254 1 731 . 1 1 61 61 TYR HE1 H 1 6.959 0.030 . 1 . . . . 61 TYR HE1 . 11254 1 732 . 1 1 61 61 TYR HE2 H 1 6.959 0.030 . 1 . . . . 61 TYR HE2 . 11254 1 733 . 1 1 61 61 TYR C C 13 175.352 0.300 . 1 . . . . 61 TYR C . 11254 1 734 . 1 1 61 61 TYR CA C 13 56.911 0.300 . 1 . . . . 61 TYR CA . 11254 1 735 . 1 1 61 61 TYR CB C 13 38.657 0.300 . 1 . . . . 61 TYR CB . 11254 1 736 . 1 1 61 61 TYR CD1 C 13 131.382 0.300 . 1 . . . . 61 TYR CD1 . 11254 1 737 . 1 1 61 61 TYR CD2 C 13 131.382 0.300 . 1 . . . . 61 TYR CD2 . 11254 1 738 . 1 1 61 61 TYR CE1 C 13 118.358 0.300 . 1 . . . . 61 TYR CE1 . 11254 1 739 . 1 1 61 61 TYR CE2 C 13 118.358 0.300 . 1 . . . . 61 TYR CE2 . 11254 1 740 . 1 1 61 61 TYR N N 15 126.901 0.300 . 1 . . . . 61 TYR N . 11254 1 741 . 1 1 62 62 SER H H 1 6.575 0.030 . 1 . . . . 62 SER H . 11254 1 742 . 1 1 62 62 SER HA H 1 4.281 0.030 . 1 . . . . 62 SER HA . 11254 1 743 . 1 1 62 62 SER HB2 H 1 3.718 0.030 . 2 . . . . 62 SER HB2 . 11254 1 744 . 1 1 62 62 SER HB3 H 1 3.443 0.030 . 2 . . . . 62 SER HB3 . 11254 1 745 . 1 1 62 62 SER C C 13 173.739 0.300 . 1 . . . . 62 SER C . 11254 1 746 . 1 1 62 62 SER CA C 13 58.654 0.300 . 1 . . . . 62 SER CA . 11254 1 747 . 1 1 62 62 SER CB C 13 65.908 0.300 . 1 . . . . 62 SER CB . 11254 1 748 . 1 1 62 62 SER N N 15 108.120 0.300 . 1 . . . . 62 SER N . 11254 1 749 . 1 1 63 63 LYS H H 1 8.881 0.030 . 1 . . . . 63 LYS H . 11254 1 750 . 1 1 63 63 LYS HA H 1 4.869 0.030 . 1 . . . . 63 LYS HA . 11254 1 751 . 1 1 63 63 LYS HB2 H 1 1.980 0.030 . 1 . . . . 63 LYS HB2 . 11254 1 752 . 1 1 63 63 LYS HB3 H 1 1.980 0.030 . 1 . . . . 63 LYS HB3 . 11254 1 753 . 1 1 63 63 LYS HD2 H 1 1.924 0.030 . 2 . . . . 63 LYS HD2 . 11254 1 754 . 1 1 63 63 LYS HD3 H 1 1.831 0.030 . 2 . . . . 63 LYS HD3 . 11254 1 755 . 1 1 63 63 LYS HE2 H 1 3.056 0.030 . 1 . . . . 63 LYS HE2 . 11254 1 756 . 1 1 63 63 LYS HE3 H 1 3.056 0.030 . 1 . . . . 63 LYS HE3 . 11254 1 757 . 1 1 63 63 LYS HG2 H 1 1.751 0.030 . 2 . . . . 63 LYS HG2 . 11254 1 758 . 1 1 63 63 LYS HG3 H 1 1.792 0.030 . 2 . . . . 63 LYS HG3 . 11254 1 759 . 1 1 63 63 LYS C C 13 177.642 0.300 . 1 . . . . 63 LYS C . 11254 1 760 . 1 1 63 63 LYS CA C 13 55.951 0.300 . 1 . . . . 63 LYS CA . 11254 1 761 . 1 1 63 63 LYS CB C 13 33.235 0.300 . 1 . . . . 63 LYS CB . 11254 1 762 . 1 1 63 63 LYS CD C 13 29.251 0.300 . 1 . . . . 63 LYS CD . 11254 1 763 . 1 1 63 63 LYS CE C 13 42.247 0.300 . 1 . . . . 63 LYS CE . 11254 1 764 . 1 1 63 63 LYS CG C 13 25.733 0.300 . 1 . . . . 63 LYS CG . 11254 1 765 . 1 1 63 63 LYS N N 15 122.362 0.300 . 1 . . . . 63 LYS N . 11254 1 766 . 1 1 64 64 LEU H H 1 8.046 0.030 . 1 . . . . 64 LEU H . 11254 1 767 . 1 1 64 64 LEU HA H 1 4.344 0.030 . 1 . . . . 64 LEU HA . 11254 1 768 . 1 1 64 64 LEU HB2 H 1 1.730 0.030 . 2 . . . . 64 LEU HB2 . 11254 1 769 . 1 1 64 64 LEU HB3 H 1 0.942 0.030 . 2 . . . . 64 LEU HB3 . 11254 1 770 . 1 1 64 64 LEU HD11 H 1 -0.124 0.030 . 1 . . . . 64 LEU HD1 . 11254 1 771 . 1 1 64 64 LEU HD12 H 1 -0.124 0.030 . 1 . . . . 64 LEU HD1 . 11254 1 772 . 1 1 64 64 LEU HD13 H 1 -0.124 0.030 . 1 . . . . 64 LEU HD1 . 11254 1 773 . 1 1 64 64 LEU HD21 H 1 0.542 0.030 . 1 . . . . 64 LEU HD2 . 11254 1 774 . 1 1 64 64 LEU HD22 H 1 0.542 0.030 . 1 . . . . 64 LEU HD2 . 11254 1 775 . 1 1 64 64 LEU HD23 H 1 0.542 0.030 . 1 . . . . 64 LEU HD2 . 11254 1 776 . 1 1 64 64 LEU HG H 1 0.836 0.030 . 1 . . . . 64 LEU HG . 11254 1 777 . 1 1 64 64 LEU C C 13 175.907 0.300 . 1 . . . . 64 LEU C . 11254 1 778 . 1 1 64 64 LEU CA C 13 52.976 0.300 . 1 . . . . 64 LEU CA . 11254 1 779 . 1 1 64 64 LEU CB C 13 38.856 0.300 . 1 . . . . 64 LEU CB . 11254 1 780 . 1 1 64 64 LEU CD1 C 13 22.736 0.300 . 2 . . . . 64 LEU CD1 . 11254 1 781 . 1 1 64 64 LEU CD2 C 13 26.264 0.300 . 2 . . . . 64 LEU CD2 . 11254 1 782 . 1 1 64 64 LEU CG C 13 26.043 0.300 . 1 . . . . 64 LEU CG . 11254 1 783 . 1 1 64 64 LEU N N 15 124.826 0.300 . 1 . . . . 64 LEU N . 11254 1 784 . 1 1 65 65 ASP H H 1 7.718 0.030 . 1 . . . . 65 ASP H . 11254 1 785 . 1 1 65 65 ASP HA H 1 4.620 0.030 . 1 . . . . 65 ASP HA . 11254 1 786 . 1 1 65 65 ASP HB2 H 1 3.081 0.030 . 2 . . . . 65 ASP HB2 . 11254 1 787 . 1 1 65 65 ASP HB3 H 1 2.467 0.030 . 2 . . . . 65 ASP HB3 . 11254 1 788 . 1 1 65 65 ASP C C 13 175.646 0.300 . 1 . . . . 65 ASP C . 11254 1 789 . 1 1 65 65 ASP CA C 13 53.517 0.300 . 1 . . . . 65 ASP CA . 11254 1 790 . 1 1 65 65 ASP CB C 13 41.302 0.300 . 1 . . . . 65 ASP CB . 11254 1 791 . 1 1 65 65 ASP N N 15 118.293 0.300 . 1 . . . . 65 ASP N . 11254 1 792 . 1 1 66 66 GLN H H 1 7.273 0.030 . 1 . . . . 66 GLN H . 11254 1 793 . 1 1 66 66 GLN HA H 1 4.719 0.030 . 1 . . . . 66 GLN HA . 11254 1 794 . 1 1 66 66 GLN HB2 H 1 2.126 0.030 . 2 . . . . 66 GLN HB2 . 11254 1 795 . 1 1 66 66 GLN HB3 H 1 2.218 0.030 . 2 . . . . 66 GLN HB3 . 11254 1 796 . 1 1 66 66 GLN HE21 H 1 6.814 0.030 . 2 . . . . 66 GLN HE21 . 11254 1 797 . 1 1 66 66 GLN HE22 H 1 7.781 0.030 . 2 . . . . 66 GLN HE22 . 11254 1 798 . 1 1 66 66 GLN HG2 H 1 2.417 0.030 . 2 . . . . 66 GLN HG2 . 11254 1 799 . 1 1 66 66 GLN HG3 H 1 2.466 0.030 . 2 . . . . 66 GLN HG3 . 11254 1 800 . 1 1 66 66 GLN C C 13 176.234 0.300 . 1 . . . . 66 GLN C . 11254 1 801 . 1 1 66 66 GLN CA C 13 54.601 0.300 . 1 . . . . 66 GLN CA . 11254 1 802 . 1 1 66 66 GLN CB C 13 28.930 0.300 . 1 . . . . 66 GLN CB . 11254 1 803 . 1 1 66 66 GLN CG C 13 33.446 0.300 . 1 . . . . 66 GLN CG . 11254 1 804 . 1 1 66 66 GLN N N 15 120.430 0.300 . 1 . . . . 66 GLN N . 11254 1 805 . 1 1 66 66 GLN NE2 N 15 113.240 0.300 . 1 . . . . 66 GLN NE2 . 11254 1 806 . 1 1 67 67 GLU H H 1 8.714 0.030 . 1 . . . . 67 GLU H . 11254 1 807 . 1 1 67 67 GLU HA H 1 3.931 0.030 . 1 . . . . 67 GLU HA . 11254 1 808 . 1 1 67 67 GLU HB2 H 1 2.185 0.030 . 2 . . . . 67 GLU HB2 . 11254 1 809 . 1 1 67 67 GLU HB3 H 1 1.946 0.030 . 2 . . . . 67 GLU HB3 . 11254 1 810 . 1 1 67 67 GLU HG2 H 1 2.447 0.030 . 2 . . . . 67 GLU HG2 . 11254 1 811 . 1 1 67 67 GLU HG3 H 1 2.285 0.030 . 2 . . . . 67 GLU HG3 . 11254 1 812 . 1 1 67 67 GLU C C 13 176.433 0.300 . 1 . . . . 67 GLU C . 11254 1 813 . 1 1 67 67 GLU CA C 13 59.689 0.300 . 1 . . . . 67 GLU CA . 11254 1 814 . 1 1 67 67 GLU CB C 13 30.149 0.300 . 1 . . . . 67 GLU CB . 11254 1 815 . 1 1 67 67 GLU CG C 13 36.242 0.300 . 1 . . . . 67 GLU CG . 11254 1 816 . 1 1 67 67 GLU N N 15 123.868 0.300 . 1 . . . . 67 GLU N . 11254 1 817 . 1 1 68 68 ASP H H 1 8.437 0.030 . 1 . . . . 68 ASP H . 11254 1 818 . 1 1 68 68 ASP HA H 1 4.731 0.030 . 1 . . . . 68 ASP HA . 11254 1 819 . 1 1 68 68 ASP HB2 H 1 2.833 0.030 . 2 . . . . 68 ASP HB2 . 11254 1 820 . 1 1 68 68 ASP HB3 H 1 2.717 0.030 . 2 . . . . 68 ASP HB3 . 11254 1 821 . 1 1 68 68 ASP C C 13 176.380 0.300 . 1 . . . . 68 ASP C . 11254 1 822 . 1 1 68 68 ASP CA C 13 52.937 0.300 . 1 . . . . 68 ASP CA . 11254 1 823 . 1 1 68 68 ASP CB C 13 40.519 0.300 . 1 . . . . 68 ASP CB . 11254 1 824 . 1 1 68 68 ASP N N 15 111.872 0.300 . 1 . . . . 68 ASP N . 11254 1 825 . 1 1 69 69 ALA H H 1 7.503 0.030 . 1 . . . . 69 ALA H . 11254 1 826 . 1 1 69 69 ALA HA H 1 4.331 0.030 . 1 . . . . 69 ALA HA . 11254 1 827 . 1 1 69 69 ALA HB1 H 1 1.517 0.030 . 1 . . . . 69 ALA HB . 11254 1 828 . 1 1 69 69 ALA HB2 H 1 1.517 0.030 . 1 . . . . 69 ALA HB . 11254 1 829 . 1 1 69 69 ALA HB3 H 1 1.517 0.030 . 1 . . . . 69 ALA HB . 11254 1 830 . 1 1 69 69 ALA C C 13 176.575 0.300 . 1 . . . . 69 ALA C . 11254 1 831 . 1 1 69 69 ALA CA C 13 51.478 0.300 . 1 . . . . 69 ALA CA . 11254 1 832 . 1 1 69 69 ALA CB C 13 20.274 0.300 . 1 . . . . 69 ALA CB . 11254 1 833 . 1 1 69 69 ALA N N 15 122.966 0.300 . 1 . . . . 69 ALA N . 11254 1 834 . 1 1 70 70 LEU H H 1 8.333 0.030 . 1 . . . . 70 LEU H . 11254 1 835 . 1 1 70 70 LEU HA H 1 4.821 0.030 . 1 . . . . 70 LEU HA . 11254 1 836 . 1 1 70 70 LEU HB2 H 1 1.617 0.030 . 1 . . . . 70 LEU HB2 . 11254 1 837 . 1 1 70 70 LEU HB3 H 1 1.617 0.030 . 1 . . . . 70 LEU HB3 . 11254 1 838 . 1 1 70 70 LEU HD11 H 1 0.905 0.030 . 1 . . . . 70 LEU HD1 . 11254 1 839 . 1 1 70 70 LEU HD12 H 1 0.905 0.030 . 1 . . . . 70 LEU HD1 . 11254 1 840 . 1 1 70 70 LEU HD13 H 1 0.905 0.030 . 1 . . . . 70 LEU HD1 . 11254 1 841 . 1 1 70 70 LEU HD21 H 1 0.778 0.030 . 1 . . . . 70 LEU HD2 . 11254 1 842 . 1 1 70 70 LEU HD22 H 1 0.778 0.030 . 1 . . . . 70 LEU HD2 . 11254 1 843 . 1 1 70 70 LEU HD23 H 1 0.778 0.030 . 1 . . . . 70 LEU HD2 . 11254 1 844 . 1 1 70 70 LEU HG H 1 1.792 0.030 . 1 . . . . 70 LEU HG . 11254 1 845 . 1 1 70 70 LEU C C 13 180.599 0.300 . 1 . . . . 70 LEU C . 11254 1 846 . 1 1 70 70 LEU CA C 13 53.699 0.300 . 1 . . . . 70 LEU CA . 11254 1 847 . 1 1 70 70 LEU CB C 13 40.984 0.300 . 1 . . . . 70 LEU CB . 11254 1 848 . 1 1 70 70 LEU CD1 C 13 25.385 0.300 . 2 . . . . 70 LEU CD1 . 11254 1 849 . 1 1 70 70 LEU CD2 C 13 22.675 0.300 . 2 . . . . 70 LEU CD2 . 11254 1 850 . 1 1 70 70 LEU CG C 13 27.195 0.300 . 1 . . . . 70 LEU CG . 11254 1 851 . 1 1 70 70 LEU N N 15 116.927 0.300 . 1 . . . . 70 LEU N . 11254 1 852 . 1 1 71 71 LEU H H 1 9.583 0.030 . 1 . . . . 71 LEU H . 11254 1 853 . 1 1 71 71 LEU HA H 1 4.030 0.030 . 1 . . . . 71 LEU HA . 11254 1 854 . 1 1 71 71 LEU HB2 H 1 1.667 0.030 . 2 . . . . 71 LEU HB2 . 11254 1 855 . 1 1 71 71 LEU HB3 H 1 1.005 0.030 . 2 . . . . 71 LEU HB3 . 11254 1 856 . 1 1 71 71 LEU HD11 H 1 0.030 0.030 . 1 . . . . 71 LEU HD1 . 11254 1 857 . 1 1 71 71 LEU HD12 H 1 0.030 0.030 . 1 . . . . 71 LEU HD1 . 11254 1 858 . 1 1 71 71 LEU HD13 H 1 0.030 0.030 . 1 . . . . 71 LEU HD1 . 11254 1 859 . 1 1 71 71 LEU HD21 H 1 0.404 0.030 . 1 . . . . 71 LEU HD2 . 11254 1 860 . 1 1 71 71 LEU HD22 H 1 0.404 0.030 . 1 . . . . 71 LEU HD2 . 11254 1 861 . 1 1 71 71 LEU HD23 H 1 0.404 0.030 . 1 . . . . 71 LEU HD2 . 11254 1 862 . 1 1 71 71 LEU HG H 1 1.192 0.030 . 1 . . . . 71 LEU HG . 11254 1 863 . 1 1 71 71 LEU C C 13 177.599 0.300 . 1 . . . . 71 LEU C . 11254 1 864 . 1 1 71 71 LEU CA C 13 58.850 0.300 . 1 . . . . 71 LEU CA . 11254 1 865 . 1 1 71 71 LEU CB C 13 42.175 0.300 . 1 . . . . 71 LEU CB . 11254 1 866 . 1 1 71 71 LEU CD1 C 13 24.093 0.300 . 2 . . . . 71 LEU CD1 . 11254 1 867 . 1 1 71 71 LEU CD2 C 13 23.056 0.300 . 2 . . . . 71 LEU CD2 . 11254 1 868 . 1 1 71 71 LEU CG C 13 27.084 0.300 . 1 . . . . 71 LEU CG . 11254 1 869 . 1 1 71 71 LEU N N 15 127.596 0.300 . 1 . . . . 71 LEU N . 11254 1 870 . 1 1 72 72 GLY H H 1 8.624 0.030 . 1 . . . . 72 GLY H . 11254 1 871 . 1 1 72 72 GLY HA2 H 1 4.118 0.030 . 2 . . . . 72 GLY HA2 . 11254 1 872 . 1 1 72 72 GLY HA3 H 1 3.893 0.030 . 2 . . . . 72 GLY HA3 . 11254 1 873 . 1 1 72 72 GLY C C 13 173.995 0.300 . 1 . . . . 72 GLY C . 11254 1 874 . 1 1 72 72 GLY CA C 13 45.457 0.300 . 1 . . . . 72 GLY CA . 11254 1 875 . 1 1 72 72 GLY N N 15 123.159 0.300 . 1 . . . . 72 GLY N . 11254 1 876 . 1 1 73 73 SER H H 1 8.117 0.030 . 1 . . . . 73 SER H . 11254 1 877 . 1 1 73 73 SER HA H 1 4.344 0.030 . 1 . . . . 73 SER HA . 11254 1 878 . 1 1 73 73 SER HB2 H 1 3.842 0.030 . 2 . . . . 73 SER HB2 . 11254 1 879 . 1 1 73 73 SER HB3 H 1 3.881 0.030 . 2 . . . . 73 SER HB3 . 11254 1 880 . 1 1 73 73 SER C C 13 174.205 0.300 . 1 . . . . 73 SER C . 11254 1 881 . 1 1 73 73 SER CA C 13 59.907 0.300 . 1 . . . . 73 SER CA . 11254 1 882 . 1 1 73 73 SER CB C 13 63.506 0.300 . 1 . . . . 73 SER CB . 11254 1 883 . 1 1 73 73 SER N N 15 115.774 0.300 . 1 . . . . 73 SER N . 11254 1 884 . 1 1 74 74 TYR H H 1 7.656 0.030 . 1 . . . . 74 TYR H . 11254 1 885 . 1 1 74 74 TYR HA H 1 4.611 0.030 . 1 . . . . 74 TYR HA . 11254 1 886 . 1 1 74 74 TYR HB2 H 1 2.979 0.030 . 2 . . . . 74 TYR HB2 . 11254 1 887 . 1 1 74 74 TYR HB3 H 1 2.679 0.030 . 2 . . . . 74 TYR HB3 . 11254 1 888 . 1 1 74 74 TYR HD1 H 1 7.212 0.030 . 1 . . . . 74 TYR HD1 . 11254 1 889 . 1 1 74 74 TYR HD2 H 1 7.212 0.030 . 1 . . . . 74 TYR HD2 . 11254 1 890 . 1 1 74 74 TYR HE1 H 1 6.819 0.030 . 1 . . . . 74 TYR HE1 . 11254 1 891 . 1 1 74 74 TYR HE2 H 1 6.819 0.030 . 1 . . . . 74 TYR HE2 . 11254 1 892 . 1 1 74 74 TYR C C 13 175.459 0.300 . 1 . . . . 74 TYR C . 11254 1 893 . 1 1 74 74 TYR CA C 13 57.412 0.300 . 1 . . . . 74 TYR CA . 11254 1 894 . 1 1 74 74 TYR CB C 13 38.446 0.300 . 1 . . . . 74 TYR CB . 11254 1 895 . 1 1 74 74 TYR CD1 C 13 133.795 0.300 . 1 . . . . 74 TYR CD1 . 11254 1 896 . 1 1 74 74 TYR CD2 C 13 133.795 0.300 . 1 . . . . 74 TYR CD2 . 11254 1 897 . 1 1 74 74 TYR CE1 C 13 118.618 0.300 . 1 . . . . 74 TYR CE1 . 11254 1 898 . 1 1 74 74 TYR CE2 C 13 118.618 0.300 . 1 . . . . 74 TYR CE2 . 11254 1 899 . 1 1 74 74 TYR N N 15 122.922 0.300 . 1 . . . . 74 TYR N . 11254 1 900 . 1 1 75 75 PRO HA H 1 4.744 0.030 . 1 . . . . 75 PRO HA . 11254 1 901 . 1 1 75 75 PRO HB2 H 1 2.193 0.030 . 2 . . . . 75 PRO HB2 . 11254 1 902 . 1 1 75 75 PRO HB3 H 1 1.782 0.030 . 2 . . . . 75 PRO HB3 . 11254 1 903 . 1 1 75 75 PRO HD2 H 1 3.482 0.030 . 2 . . . . 75 PRO HD2 . 11254 1 904 . 1 1 75 75 PRO HD3 H 1 3.790 0.030 . 2 . . . . 75 PRO HD3 . 11254 1 905 . 1 1 75 75 PRO HG2 H 1 1.621 0.030 . 2 . . . . 75 PRO HG2 . 11254 1 906 . 1 1 75 75 PRO HG3 H 1 1.901 0.030 . 2 . . . . 75 PRO HG3 . 11254 1 907 . 1 1 75 75 PRO C C 13 175.209 0.300 . 1 . . . . 75 PRO C . 11254 1 908 . 1 1 75 75 PRO CA C 13 63.038 0.300 . 1 . . . . 75 PRO CA . 11254 1 909 . 1 1 75 75 PRO CB C 13 27.263 0.300 . 1 . . . . 75 PRO CB . 11254 1 910 . 1 1 75 75 PRO CD C 13 50.307 0.300 . 1 . . . . 75 PRO CD . 11254 1 911 . 1 1 75 75 PRO CG C 13 27.359 0.300 . 1 . . . . 75 PRO CG . 11254 1 912 . 1 1 76 76 VAL H H 1 8.545 0.030 . 1 . . . . 76 VAL H . 11254 1 913 . 1 1 76 76 VAL HA H 1 4.265 0.030 . 1 . . . . 76 VAL HA . 11254 1 914 . 1 1 76 76 VAL HB H 1 1.808 0.030 . 1 . . . . 76 VAL HB . 11254 1 915 . 1 1 76 76 VAL HG11 H 1 0.823 0.030 . 1 . . . . 76 VAL HG1 . 11254 1 916 . 1 1 76 76 VAL HG12 H 1 0.823 0.030 . 1 . . . . 76 VAL HG1 . 11254 1 917 . 1 1 76 76 VAL HG13 H 1 0.823 0.030 . 1 . . . . 76 VAL HG1 . 11254 1 918 . 1 1 76 76 VAL HG21 H 1 0.858 0.030 . 1 . . . . 76 VAL HG2 . 11254 1 919 . 1 1 76 76 VAL HG22 H 1 0.858 0.030 . 1 . . . . 76 VAL HG2 . 11254 1 920 . 1 1 76 76 VAL HG23 H 1 0.858 0.030 . 1 . . . . 76 VAL HG2 . 11254 1 921 . 1 1 76 76 VAL C C 13 173.329 0.300 . 1 . . . . 76 VAL C . 11254 1 922 . 1 1 76 76 VAL CA C 13 60.827 0.300 . 1 . . . . 76 VAL CA . 11254 1 923 . 1 1 76 76 VAL CB C 13 33.441 0.300 . 1 . . . . 76 VAL CB . 11254 1 924 . 1 1 76 76 VAL CG1 C 13 21.137 0.300 . 2 . . . . 76 VAL CG1 . 11254 1 925 . 1 1 76 76 VAL CG2 C 13 21.652 0.300 . 2 . . . . 76 VAL CG2 . 11254 1 926 . 1 1 76 76 VAL N N 15 120.741 0.300 . 1 . . . . 76 VAL N . 11254 1 927 . 1 1 77 77 ASP H H 1 7.740 0.030 . 1 . . . . 77 ASP H . 11254 1 928 . 1 1 77 77 ASP HA H 1 4.794 0.030 . 1 . . . . 77 ASP HA . 11254 1 929 . 1 1 77 77 ASP HB2 H 1 2.581 0.030 . 2 . . . . 77 ASP HB2 . 11254 1 930 . 1 1 77 77 ASP HB3 H 1 2.766 0.030 . 2 . . . . 77 ASP HB3 . 11254 1 931 . 1 1 77 77 ASP C C 13 174.409 0.300 . 1 . . . . 77 ASP C . 11254 1 932 . 1 1 77 77 ASP CA C 13 52.604 0.300 . 1 . . . . 77 ASP CA . 11254 1 933 . 1 1 77 77 ASP CB C 13 44.571 0.300 . 1 . . . . 77 ASP CB . 11254 1 934 . 1 1 77 77 ASP N N 15 125.487 0.300 . 1 . . . . 77 ASP N . 11254 1 935 . 1 1 78 78 ASP H H 1 8.640 0.030 . 1 . . . . 78 ASP H . 11254 1 936 . 1 1 78 78 ASP HA H 1 5.196 0.030 . 1 . . . . 78 ASP HA . 11254 1 937 . 1 1 78 78 ASP HB2 H 1 2.703 0.030 . 2 . . . . 78 ASP HB2 . 11254 1 938 . 1 1 78 78 ASP HB3 H 1 2.585 0.030 . 2 . . . . 78 ASP HB3 . 11254 1 939 . 1 1 78 78 ASP C C 13 178.339 0.300 . 1 . . . . 78 ASP C . 11254 1 940 . 1 1 78 78 ASP CA C 13 55.616 0.300 . 1 . . . . 78 ASP CA . 11254 1 941 . 1 1 78 78 ASP CB C 13 40.576 0.300 . 1 . . . . 78 ASP CB . 11254 1 942 . 1 1 78 78 ASP N N 15 120.584 0.300 . 1 . . . . 78 ASP N . 11254 1 943 . 1 1 79 79 GLY H H 1 9.220 0.030 . 1 . . . . 79 GLY H . 11254 1 944 . 1 1 79 79 GLY HA2 H 1 4.481 0.030 . 2 . . . . 79 GLY HA2 . 11254 1 945 . 1 1 79 79 GLY HA3 H 1 3.731 0.030 . 2 . . . . 79 GLY HA3 . 11254 1 946 . 1 1 79 79 GLY C C 13 175.414 0.300 . 1 . . . . 79 GLY C . 11254 1 947 . 1 1 79 79 GLY CA C 13 45.085 0.300 . 1 . . . . 79 GLY CA . 11254 1 948 . 1 1 79 79 GLY N N 15 110.966 0.300 . 1 . . . . 79 GLY N . 11254 1 949 . 1 1 80 80 CYS H H 1 7.875 0.030 . 1 . . . . 80 CYS H . 11254 1 950 . 1 1 80 80 CYS HA H 1 4.419 0.030 . 1 . . . . 80 CYS HA . 11254 1 951 . 1 1 80 80 CYS HB2 H 1 3.307 0.030 . 2 . . . . 80 CYS HB2 . 11254 1 952 . 1 1 80 80 CYS HB3 H 1 3.237 0.030 . 2 . . . . 80 CYS HB3 . 11254 1 953 . 1 1 80 80 CYS C C 13 170.643 0.300 . 1 . . . . 80 CYS C . 11254 1 954 . 1 1 80 80 CYS CA C 13 61.120 0.300 . 1 . . . . 80 CYS CA . 11254 1 955 . 1 1 80 80 CYS CB C 13 28.703 0.300 . 1 . . . . 80 CYS CB . 11254 1 956 . 1 1 80 80 CYS N N 15 115.887 0.300 . 1 . . . . 80 CYS N . 11254 1 957 . 1 1 81 81 ARG H H 1 8.897 0.030 . 1 . . . . 81 ARG H . 11254 1 958 . 1 1 81 81 ARG HA H 1 5.782 0.030 . 1 . . . . 81 ARG HA . 11254 1 959 . 1 1 81 81 ARG HB2 H 1 1.937 0.030 . 2 . . . . 81 ARG HB2 . 11254 1 960 . 1 1 81 81 ARG HB3 H 1 1.758 0.030 . 2 . . . . 81 ARG HB3 . 11254 1 961 . 1 1 81 81 ARG HD2 H 1 2.815 0.030 . 2 . . . . 81 ARG HD2 . 11254 1 962 . 1 1 81 81 ARG HD3 H 1 3.145 0.030 . 2 . . . . 81 ARG HD3 . 11254 1 963 . 1 1 81 81 ARG HE H 1 7.443 0.030 . 1 . . . . 81 ARG HE . 11254 1 964 . 1 1 81 81 ARG HG2 H 1 1.392 0.030 . 2 . . . . 81 ARG HG2 . 11254 1 965 . 1 1 81 81 ARG HG3 H 1 1.314 0.030 . 2 . . . . 81 ARG HG3 . 11254 1 966 . 1 1 81 81 ARG C C 13 174.262 0.300 . 1 . . . . 81 ARG C . 11254 1 967 . 1 1 81 81 ARG CA C 13 54.071 0.300 . 1 . . . . 81 ARG CA . 11254 1 968 . 1 1 81 81 ARG CB C 13 35.749 0.300 . 1 . . . . 81 ARG CB . 11254 1 969 . 1 1 81 81 ARG CD C 13 43.464 0.300 . 1 . . . . 81 ARG CD . 11254 1 970 . 1 1 81 81 ARG CG C 13 27.771 0.300 . 1 . . . . 81 ARG CG . 11254 1 971 . 1 1 81 81 ARG N N 15 120.365 0.300 . 1 . . . . 81 ARG N . 11254 1 972 . 1 1 81 81 ARG NE N 15 80.487 0.300 . 1 . . . . 81 ARG NE . 11254 1 973 . 1 1 82 82 ILE H H 1 9.466 0.030 . 1 . . . . 82 ILE H . 11254 1 974 . 1 1 82 82 ILE HA H 1 5.179 0.030 . 1 . . . . 82 ILE HA . 11254 1 975 . 1 1 82 82 ILE HB H 1 2.168 0.030 . 1 . . . . 82 ILE HB . 11254 1 976 . 1 1 82 82 ILE HD11 H 1 0.876 0.030 . 1 . . . . 82 ILE HD1 . 11254 1 977 . 1 1 82 82 ILE HD12 H 1 0.876 0.030 . 1 . . . . 82 ILE HD1 . 11254 1 978 . 1 1 82 82 ILE HD13 H 1 0.876 0.030 . 1 . . . . 82 ILE HD1 . 11254 1 979 . 1 1 82 82 ILE HG12 H 1 1.576 0.030 . 1 . . . . 82 ILE HG12 . 11254 1 980 . 1 1 82 82 ILE HG13 H 1 1.576 0.030 . 1 . . . . 82 ILE HG13 . 11254 1 981 . 1 1 82 82 ILE HG21 H 1 0.867 0.030 . 1 . . . . 82 ILE HG2 . 11254 1 982 . 1 1 82 82 ILE HG22 H 1 0.867 0.030 . 1 . . . . 82 ILE HG2 . 11254 1 983 . 1 1 82 82 ILE HG23 H 1 0.867 0.030 . 1 . . . . 82 ILE HG2 . 11254 1 984 . 1 1 82 82 ILE C C 13 172.934 0.300 . 1 . . . . 82 ILE C . 11254 1 985 . 1 1 82 82 ILE CA C 13 58.615 0.300 . 1 . . . . 82 ILE CA . 11254 1 986 . 1 1 82 82 ILE CB C 13 37.915 0.300 . 1 . . . . 82 ILE CB . 11254 1 987 . 1 1 82 82 ILE CD1 C 13 12.674 0.300 . 1 . . . . 82 ILE CD1 . 11254 1 988 . 1 1 82 82 ILE CG1 C 13 28.264 0.300 . 1 . . . . 82 ILE CG1 . 11254 1 989 . 1 1 82 82 ILE CG2 C 13 18.061 0.300 . 1 . . . . 82 ILE CG2 . 11254 1 990 . 1 1 82 82 ILE N N 15 128.018 0.300 . 1 . . . . 82 ILE N . 11254 1 991 . 1 1 83 83 HIS H H 1 9.579 0.030 . 1 . . . . 83 HIS H . 11254 1 992 . 1 1 83 83 HIS HA H 1 5.347 0.030 . 1 . . . . 83 HIS HA . 11254 1 993 . 1 1 83 83 HIS HB2 H 1 3.418 0.030 . 2 . . . . 83 HIS HB2 . 11254 1 994 . 1 1 83 83 HIS HB3 H 1 2.668 0.030 . 2 . . . . 83 HIS HB3 . 11254 1 995 . 1 1 83 83 HIS HD2 H 1 6.998 0.030 . 1 . . . . 83 HIS HD2 . 11254 1 996 . 1 1 83 83 HIS HE1 H 1 7.264 0.030 . 1 . . . . 83 HIS HE1 . 11254 1 997 . 1 1 83 83 HIS C C 13 174.571 0.300 . 1 . . . . 83 HIS C . 11254 1 998 . 1 1 83 83 HIS CA C 13 54.229 0.300 . 1 . . . . 83 HIS CA . 11254 1 999 . 1 1 83 83 HIS CB C 13 35.183 0.300 . 1 . . . . 83 HIS CB . 11254 1 1000 . 1 1 83 83 HIS CD2 C 13 117.591 0.300 . 1 . . . . 83 HIS CD2 . 11254 1 1001 . 1 1 83 83 HIS CE1 C 13 137.782 0.300 . 1 . . . . 83 HIS CE1 . 11254 1 1002 . 1 1 83 83 HIS N N 15 128.272 0.300 . 1 . . . . 83 HIS N . 11254 1 1003 . 1 1 84 84 VAL H H 1 8.528 0.030 . 1 . . . . 84 VAL H . 11254 1 1004 . 1 1 84 84 VAL HA H 1 4.106 0.030 . 1 . . . . 84 VAL HA . 11254 1 1005 . 1 1 84 84 VAL HB H 1 2.093 0.030 . 1 . . . . 84 VAL HB . 11254 1 1006 . 1 1 84 84 VAL HG11 H 1 0.708 0.030 . 1 . . . . 84 VAL HG1 . 11254 1 1007 . 1 1 84 84 VAL HG12 H 1 0.708 0.030 . 1 . . . . 84 VAL HG1 . 11254 1 1008 . 1 1 84 84 VAL HG13 H 1 0.708 0.030 . 1 . . . . 84 VAL HG1 . 11254 1 1009 . 1 1 84 84 VAL HG21 H 1 0.879 0.030 . 1 . . . . 84 VAL HG2 . 11254 1 1010 . 1 1 84 84 VAL HG22 H 1 0.879 0.030 . 1 . . . . 84 VAL HG2 . 11254 1 1011 . 1 1 84 84 VAL HG23 H 1 0.879 0.030 . 1 . . . . 84 VAL HG2 . 11254 1 1012 . 1 1 84 84 VAL C C 13 174.945 0.300 . 1 . . . . 84 VAL C . 11254 1 1013 . 1 1 84 84 VAL CA C 13 61.807 0.300 . 1 . . . . 84 VAL CA . 11254 1 1014 . 1 1 84 84 VAL CB C 13 31.664 0.300 . 1 . . . . 84 VAL CB . 11254 1 1015 . 1 1 84 84 VAL CG1 C 13 21.191 0.300 . 2 . . . . 84 VAL CG1 . 11254 1 1016 . 1 1 84 84 VAL CG2 C 13 21.191 0.300 . 2 . . . . 84 VAL CG2 . 11254 1 1017 . 1 1 84 84 VAL N N 15 127.156 0.300 . 1 . . . . 84 VAL N . 11254 1 1018 . 1 1 85 85 ILE H H 1 9.247 0.030 . 1 . . . . 85 ILE H . 11254 1 1019 . 1 1 85 85 ILE HA H 1 3.843 0.030 . 1 . . . . 85 ILE HA . 11254 1 1020 . 1 1 85 85 ILE HB H 1 1.837 0.030 . 1 . . . . 85 ILE HB . 11254 1 1021 . 1 1 85 85 ILE HD11 H 1 0.836 0.030 . 1 . . . . 85 ILE HD1 . 11254 1 1022 . 1 1 85 85 ILE HD12 H 1 0.836 0.030 . 1 . . . . 85 ILE HD1 . 11254 1 1023 . 1 1 85 85 ILE HD13 H 1 0.836 0.030 . 1 . . . . 85 ILE HD1 . 11254 1 1024 . 1 1 85 85 ILE HG12 H 1 1.441 0.030 . 2 . . . . 85 ILE HG12 . 11254 1 1025 . 1 1 85 85 ILE HG13 H 1 0.870 0.030 . 2 . . . . 85 ILE HG13 . 11254 1 1026 . 1 1 85 85 ILE HG21 H 1 0.468 0.030 . 1 . . . . 85 ILE HG2 . 11254 1 1027 . 1 1 85 85 ILE HG22 H 1 0.468 0.030 . 1 . . . . 85 ILE HG2 . 11254 1 1028 . 1 1 85 85 ILE HG23 H 1 0.468 0.030 . 1 . . . . 85 ILE HG2 . 11254 1 1029 . 1 1 85 85 ILE C C 13 174.945 0.300 . 1 . . . . 85 ILE C . 11254 1 1030 . 1 1 85 85 ILE CA C 13 61.043 0.300 . 1 . . . . 85 ILE CA . 11254 1 1031 . 1 1 85 85 ILE CB C 13 38.749 0.300 . 1 . . . . 85 ILE CB . 11254 1 1032 . 1 1 85 85 ILE CD1 C 13 13.870 0.300 . 1 . . . . 85 ILE CD1 . 11254 1 1033 . 1 1 85 85 ILE CG1 C 13 28.429 0.300 . 1 . . . . 85 ILE CG1 . 11254 1 1034 . 1 1 85 85 ILE CG2 C 13 17.613 0.300 . 1 . . . . 85 ILE CG2 . 11254 1 1035 . 1 1 85 85 ILE N N 15 129.349 0.300 . 1 . . . . 85 ILE N . 11254 1 1036 . 1 1 86 86 ASP H H 1 7.670 0.030 . 1 . . . . 86 ASP H . 11254 1 1037 . 1 1 86 86 ASP HA H 1 4.694 0.030 . 1 . . . . 86 ASP HA . 11254 1 1038 . 1 1 86 86 ASP HB2 H 1 2.419 0.030 . 2 . . . . 86 ASP HB2 . 11254 1 1039 . 1 1 86 86 ASP HB3 H 1 2.485 0.030 . 2 . . . . 86 ASP HB3 . 11254 1 1040 . 1 1 86 86 ASP C C 13 176.611 0.300 . 1 . . . . 86 ASP C . 11254 1 1041 . 1 1 86 86 ASP CA C 13 53.465 0.300 . 1 . . . . 86 ASP CA . 11254 1 1042 . 1 1 86 86 ASP CB C 13 42.933 0.300 . 1 . . . . 86 ASP CB . 11254 1 1043 . 1 1 86 86 ASP N N 15 125.833 0.300 . 1 . . . . 86 ASP N . 11254 1 1044 . 1 1 87 87 HIS H H 1 8.608 0.030 . 1 . . . . 87 HIS H . 11254 1 1045 . 1 1 87 87 HIS HA H 1 4.931 0.030 . 1 . . . . 87 HIS HA . 11254 1 1046 . 1 1 87 87 HIS HB2 H 1 3.503 0.030 . 2 . . . . 87 HIS HB2 . 11254 1 1047 . 1 1 87 87 HIS HB3 H 1 3.143 0.030 . 2 . . . . 87 HIS HB3 . 11254 1 1048 . 1 1 87 87 HIS HD2 H 1 7.110 0.030 . 1 . . . . 87 HIS HD2 . 11254 1 1049 . 1 1 87 87 HIS HE1 H 1 8.503 0.030 . 1 . . . . 87 HIS HE1 . 11254 1 1050 . 1 1 87 87 HIS C C 13 175.238 0.300 . 1 . . . . 87 HIS C . 11254 1 1051 . 1 1 87 87 HIS CA C 13 55.364 0.300 . 1 . . . . 87 HIS CA . 11254 1 1052 . 1 1 87 87 HIS CB C 13 28.250 0.300 . 1 . . . . 87 HIS CB . 11254 1 1053 . 1 1 87 87 HIS CD2 C 13 120.117 0.300 . 1 . . . . 87 HIS CD2 . 11254 1 1054 . 1 1 87 87 HIS CE1 C 13 136.834 0.300 . 1 . . . . 87 HIS CE1 . 11254 1 1055 . 1 1 87 87 HIS N N 15 123.159 0.300 . 1 . . . . 87 HIS N . 11254 1 1056 . 1 1 88 88 SER H H 1 8.718 0.030 . 1 . . . . 88 SER H . 11254 1 1057 . 1 1 88 88 SER HA H 1 4.395 0.030 . 1 . . . . 88 SER HA . 11254 1 1058 . 1 1 88 88 SER HB2 H 1 4.014 0.030 . 1 . . . . 88 SER HB2 . 11254 1 1059 . 1 1 88 88 SER HB3 H 1 4.014 0.030 . 1 . . . . 88 SER HB3 . 11254 1 1060 . 1 1 88 88 SER C C 13 175.346 0.300 . 1 . . . . 88 SER C . 11254 1 1061 . 1 1 88 88 SER CA C 13 61.128 0.300 . 1 . . . . 88 SER CA . 11254 1 1062 . 1 1 88 88 SER CB C 13 63.642 0.300 . 1 . . . . 88 SER CB . 11254 1 1063 . 1 1 88 88 SER N N 15 118.530 0.300 . 1 . . . . 88 SER N . 11254 1 1064 . 1 1 89 89 GLY H H 1 8.534 0.030 . 1 . . . . 89 GLY H . 11254 1 1065 . 1 1 89 89 GLY HA2 H 1 4.006 0.030 . 1 . . . . 89 GLY HA2 . 11254 1 1066 . 1 1 89 89 GLY HA3 H 1 4.006 0.030 . 1 . . . . 89 GLY HA3 . 11254 1 1067 . 1 1 89 89 GLY C C 13 174.407 0.300 . 1 . . . . 89 GLY C . 11254 1 1068 . 1 1 89 89 GLY CA C 13 45.476 0.300 . 1 . . . . 89 GLY CA . 11254 1 1069 . 1 1 89 89 GLY N N 15 110.699 0.300 . 1 . . . . 89 GLY N . 11254 1 1070 . 1 1 90 90 SER H H 1 8.270 0.030 . 1 . . . . 90 SER H . 11254 1 1071 . 1 1 90 90 SER HA H 1 4.519 0.030 . 1 . . . . 90 SER HA . 11254 1 1072 . 1 1 90 90 SER HB2 H 1 3.906 0.030 . 1 . . . . 90 SER HB2 . 11254 1 1073 . 1 1 90 90 SER HB3 H 1 3.906 0.030 . 1 . . . . 90 SER HB3 . 11254 1 1074 . 1 1 90 90 SER C C 13 174.757 0.300 . 1 . . . . 90 SER C . 11254 1 1075 . 1 1 90 90 SER CA C 13 58.380 0.300 . 1 . . . . 90 SER CA . 11254 1 1076 . 1 1 90 90 SER CB C 13 63.950 0.300 . 1 . . . . 90 SER CB . 11254 1 1077 . 1 1 90 90 SER N N 15 115.584 0.300 . 1 . . . . 90 SER N . 11254 1 1078 . 1 1 91 91 GLY H H 1 8.312 0.030 . 1 . . . . 91 GLY H . 11254 1 1079 . 1 1 91 91 GLY HA2 H 1 4.091 0.030 . 2 . . . . 91 GLY HA2 . 11254 1 1080 . 1 1 91 91 GLY HA3 H 1 4.169 0.030 . 2 . . . . 91 GLY HA3 . 11254 1 1081 . 1 1 91 91 GLY C C 13 171.811 0.300 . 1 . . . . 91 GLY C . 11254 1 1082 . 1 1 91 91 GLY CA C 13 44.688 0.300 . 1 . . . . 91 GLY CA . 11254 1 1083 . 1 1 91 91 GLY N N 15 110.822 0.300 . 1 . . . . 91 GLY N . 11254 1 1084 . 1 1 92 92 PRO HA H 1 4.483 0.030 . 1 . . . . 92 PRO HA . 11254 1 1085 . 1 1 92 92 PRO HB2 H 1 1.979 0.030 . 2 . . . . 92 PRO HB2 . 11254 1 1086 . 1 1 92 92 PRO HB3 H 1 2.300 0.030 . 2 . . . . 92 PRO HB3 . 11254 1 1087 . 1 1 92 92 PRO HD2 H 1 3.642 0.030 . 1 . . . . 92 PRO HD2 . 11254 1 1088 . 1 1 92 92 PRO HD3 H 1 3.642 0.030 . 1 . . . . 92 PRO HD3 . 11254 1 1089 . 1 1 92 92 PRO HG2 H 1 2.020 0.030 . 1 . . . . 92 PRO HG2 . 11254 1 1090 . 1 1 92 92 PRO HG3 H 1 2.020 0.030 . 1 . . . . 92 PRO HG3 . 11254 1 1091 . 1 1 92 92 PRO C C 13 177.420 0.300 . 1 . . . . 92 PRO C . 11254 1 1092 . 1 1 92 92 PRO CA C 13 63.196 0.300 . 1 . . . . 92 PRO CA . 11254 1 1093 . 1 1 92 92 PRO CB C 13 32.248 0.300 . 1 . . . . 92 PRO CB . 11254 1 1094 . 1 1 92 92 PRO CD C 13 49.879 0.300 . 1 . . . . 92 PRO CD . 11254 1 1095 . 1 1 93 93 SER H H 1 8.527 0.030 . 1 . . . . 93 SER H . 11254 1 1096 . 1 1 93 93 SER HA H 1 4.469 0.030 . 1 . . . . 93 SER HA . 11254 1 1097 . 1 1 93 93 SER C C 13 174.611 0.300 . 1 . . . . 93 SER C . 11254 1 1098 . 1 1 93 93 SER CA C 13 58.361 0.300 . 1 . . . . 93 SER CA . 11254 1 1099 . 1 1 93 93 SER CB C 13 63.931 0.300 . 1 . . . . 93 SER CB . 11254 1 1100 . 1 1 93 93 SER N N 15 116.471 0.300 . 1 . . . . 93 SER N . 11254 1 1101 . 1 1 94 94 SER H H 1 8.459 0.030 . 1 . . . . 94 SER H . 11254 1 1102 . 1 1 94 94 SER HA H 1 4.556 0.030 . 1 . . . . 94 SER HA . 11254 1 1103 . 1 1 94 94 SER HB2 H 1 3.918 0.030 . 1 . . . . 94 SER HB2 . 11254 1 1104 . 1 1 94 94 SER HB3 H 1 3.918 0.030 . 1 . . . . 94 SER HB3 . 11254 1 1105 . 1 1 94 94 SER C C 13 173.946 0.300 . 1 . . . . 94 SER C . 11254 1 1106 . 1 1 94 94 SER CA C 13 58.435 0.300 . 1 . . . . 94 SER CA . 11254 1 1107 . 1 1 94 94 SER CB C 13 64.015 0.300 . 1 . . . . 94 SER CB . 11254 1 1108 . 1 1 94 94 SER N N 15 118.100 0.300 . 1 . . . . 94 SER N . 11254 1 1109 . 1 1 95 95 GLY H H 1 8.050 0.030 . 1 . . . . 95 GLY H . 11254 1 1110 . 1 1 95 95 GLY C C 13 178.980 0.300 . 1 . . . . 95 GLY C . 11254 1 1111 . 1 1 95 95 GLY CA C 13 46.242 0.300 . 1 . . . . 95 GLY CA . 11254 1 1112 . 1 1 95 95 GLY N N 15 116.903 0.300 . 1 . . . . 95 GLY N . 11254 1 stop_ save_