data_11091 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11091 _Entry.Title ; Solution structure of the C-terminal PapD-like domain from human HYDIN protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-18 _Entry.Accession_date 2010-01-19 _Entry.Last_release_date 2011-01-19 _Entry.Original_release_date 2011-01-19 _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 H. Li . . . 11091 2 M. Sato . . . 11091 3 S. Koshiba . . . 11091 4 S. Watanabe . . . 11091 5 T. Harada . . . 11091 6 T. Kigawa . . . 11091 7 S. Yokoyama . . . 11091 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)' . 11091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 484 11091 '15N chemical shifts' 107 11091 '1H chemical shifts' 756 11091 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 . . 2011-01-19 2010-01-18 original author . 11091 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E6J 'BMRB Entry Tracking System' 11091 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11091 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the C-terminal PapD-like domain from human HYDIN protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 11091 1 2 M. Sato . . . 11091 1 3 S. Koshiba . . . 11091 1 4 S. Watanabe . . . 11091 1 5 T. Harada . . . 11091 1 6 T. Kigawa . . . 11091 1 7 S. Yokoyama . . . 11091 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11091 _Assembly.ID 1 _Assembly.Name 'HYDIN protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PapD domain' 1 $entity_1 A . yes native no no . . . 11091 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 2e6j . . . . . . 11091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11091 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PapD 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 ; GSSGSSGPKIHFNFELLDIG KVFTGSAHCYEAILYNKGSI DALFNMTPPTSALGACFVFS PKEGIIEPSGVQAIQISFSS IILGNFEEEFLVNVNGSPEP VKLTIRGCVIGP ; _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 112 _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 2E6J . "Solution Structure Of The C-Terminal Papd-Like Domain From Human Hydin Protein" . . . . . 100.00 112 100.00 100.00 3.30e-72 . . . . 11091 1 2 no DBJ BAB14314 . "unnamed protein product [Homo sapiens]" . . . . . 94.64 1017 98.11 98.11 9.46e-62 . . . . 11091 1 3 no DBJ BAG61096 . "unnamed protein product [Homo sapiens]" . . . . . 94.64 940 99.06 99.06 1.07e-62 . . . . 11091 1 4 no DBJ BAG61346 . "unnamed protein product [Homo sapiens]" . . . . . 94.64 950 99.06 99.06 1.24e-62 . . . . 11091 1 5 no EMBL CAD38687 . "hypothetical protein [Homo sapiens]" . . . . . 94.64 528 98.11 98.11 3.94e-64 . . . . 11091 1 6 no EMBL CAD39007 . "hypothetical protein [Homo sapiens]" . . . . . 94.64 833 97.17 97.17 2.00e-61 . . . . 11091 1 7 no GB AAH28351 . "HYDIN protein, partial [Homo sapiens]" . . . . . 94.64 729 100.00 100.00 5.05e-64 . . . . 11091 1 8 no GB AIC60203 . "HYDIN, partial [synthetic construct]" . . . . . 94.64 708 100.00 100.00 3.95e-64 . . . . 11091 1 9 no GB EAW68881 . "hCG2040498, partial [Homo sapiens]" . . . . . 66.96 75 98.67 98.67 6.95e-43 . . . . 11091 1 10 no REF NP_001185471 . "hydrocephalus-inducing protein homolog isoform c [Homo sapiens]" . . . . . 94.64 950 99.06 99.06 1.24e-62 . . . . 11091 1 11 no REF NP_001185472 . "hydrocephalus-inducing protein homolog isoform d [Homo sapiens]" . . . . . 94.64 940 99.06 99.06 9.97e-63 . . . . 11091 1 12 no REF NP_001257903 . "hydrocephalus-inducing protein homolog isoform a [Homo sapiens]" . . . . . 94.64 5121 99.06 99.06 6.63e-62 . . . . 11091 1 13 no REF NP_060028 . "hydrocephalus-inducing protein homolog isoform b [Homo sapiens]" . . . . . 94.64 1017 99.06 99.06 1.54e-62 . . . . 11091 1 14 no REF XP_004057985 . "PREDICTED: hydrocephalus-inducing protein homolog, partial [Gorilla gorilla gorilla]" . . . . . 94.64 4296 98.11 99.06 9.10e-62 . . . . 11091 1 15 no SP Q4G0P3 . "RecName: Full=Hydrocephalus-inducing protein homolog" . . . . . 94.64 5121 99.06 99.06 6.63e-62 . . . . 11091 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 . 11091 1 2 . SER . 11091 1 3 . SER . 11091 1 4 . GLY . 11091 1 5 . SER . 11091 1 6 . SER . 11091 1 7 . GLY . 11091 1 8 . PRO . 11091 1 9 . LYS . 11091 1 10 . ILE . 11091 1 11 . HIS . 11091 1 12 . PHE . 11091 1 13 . ASN . 11091 1 14 . PHE . 11091 1 15 . GLU . 11091 1 16 . LEU . 11091 1 17 . LEU . 11091 1 18 . ASP . 11091 1 19 . ILE . 11091 1 20 . GLY . 11091 1 21 . LYS . 11091 1 22 . VAL . 11091 1 23 . PHE . 11091 1 24 . THR . 11091 1 25 . GLY . 11091 1 26 . SER . 11091 1 27 . ALA . 11091 1 28 . HIS . 11091 1 29 . CYS . 11091 1 30 . TYR . 11091 1 31 . GLU . 11091 1 32 . ALA . 11091 1 33 . ILE . 11091 1 34 . LEU . 11091 1 35 . TYR . 11091 1 36 . ASN . 11091 1 37 . LYS . 11091 1 38 . GLY . 11091 1 39 . SER . 11091 1 40 . ILE . 11091 1 41 . ASP . 11091 1 42 . ALA . 11091 1 43 . LEU . 11091 1 44 . PHE . 11091 1 45 . ASN . 11091 1 46 . MET . 11091 1 47 . THR . 11091 1 48 . PRO . 11091 1 49 . PRO . 11091 1 50 . THR . 11091 1 51 . SER . 11091 1 52 . ALA . 11091 1 53 . LEU . 11091 1 54 . GLY . 11091 1 55 . ALA . 11091 1 56 . CYS . 11091 1 57 . PHE . 11091 1 58 . VAL . 11091 1 59 . PHE . 11091 1 60 . SER . 11091 1 61 . PRO . 11091 1 62 . LYS . 11091 1 63 . GLU . 11091 1 64 . GLY . 11091 1 65 . ILE . 11091 1 66 . ILE . 11091 1 67 . GLU . 11091 1 68 . PRO . 11091 1 69 . SER . 11091 1 70 . GLY . 11091 1 71 . VAL . 11091 1 72 . GLN . 11091 1 73 . ALA . 11091 1 74 . ILE . 11091 1 75 . GLN . 11091 1 76 . ILE . 11091 1 77 . SER . 11091 1 78 . PHE . 11091 1 79 . SER . 11091 1 80 . SER . 11091 1 81 . ILE . 11091 1 82 . ILE . 11091 1 83 . LEU . 11091 1 84 . GLY . 11091 1 85 . ASN . 11091 1 86 . PHE . 11091 1 87 . GLU . 11091 1 88 . GLU . 11091 1 89 . GLU . 11091 1 90 . PHE . 11091 1 91 . LEU . 11091 1 92 . VAL . 11091 1 93 . ASN . 11091 1 94 . VAL . 11091 1 95 . ASN . 11091 1 96 . GLY . 11091 1 97 . SER . 11091 1 98 . PRO . 11091 1 99 . GLU . 11091 1 100 . PRO . 11091 1 101 . VAL . 11091 1 102 . LYS . 11091 1 103 . LEU . 11091 1 104 . THR . 11091 1 105 . ILE . 11091 1 106 . ARG . 11091 1 107 . GLY . 11091 1 108 . CYS . 11091 1 109 . VAL . 11091 1 110 . ILE . 11091 1 111 . GLY . 11091 1 112 . PRO . 11091 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 11091 1 . SER 2 2 11091 1 . SER 3 3 11091 1 . GLY 4 4 11091 1 . SER 5 5 11091 1 . SER 6 6 11091 1 . GLY 7 7 11091 1 . PRO 8 8 11091 1 . LYS 9 9 11091 1 . ILE 10 10 11091 1 . HIS 11 11 11091 1 . PHE 12 12 11091 1 . ASN 13 13 11091 1 . PHE 14 14 11091 1 . GLU 15 15 11091 1 . LEU 16 16 11091 1 . LEU 17 17 11091 1 . ASP 18 18 11091 1 . ILE 19 19 11091 1 . GLY 20 20 11091 1 . LYS 21 21 11091 1 . VAL 22 22 11091 1 . PHE 23 23 11091 1 . THR 24 24 11091 1 . GLY 25 25 11091 1 . SER 26 26 11091 1 . ALA 27 27 11091 1 . HIS 28 28 11091 1 . CYS 29 29 11091 1 . TYR 30 30 11091 1 . GLU 31 31 11091 1 . ALA 32 32 11091 1 . ILE 33 33 11091 1 . LEU 34 34 11091 1 . TYR 35 35 11091 1 . ASN 36 36 11091 1 . LYS 37 37 11091 1 . GLY 38 38 11091 1 . SER 39 39 11091 1 . ILE 40 40 11091 1 . ASP 41 41 11091 1 . ALA 42 42 11091 1 . LEU 43 43 11091 1 . PHE 44 44 11091 1 . ASN 45 45 11091 1 . MET 46 46 11091 1 . THR 47 47 11091 1 . PRO 48 48 11091 1 . PRO 49 49 11091 1 . THR 50 50 11091 1 . SER 51 51 11091 1 . ALA 52 52 11091 1 . LEU 53 53 11091 1 . GLY 54 54 11091 1 . ALA 55 55 11091 1 . CYS 56 56 11091 1 . PHE 57 57 11091 1 . VAL 58 58 11091 1 . PHE 59 59 11091 1 . SER 60 60 11091 1 . PRO 61 61 11091 1 . LYS 62 62 11091 1 . GLU 63 63 11091 1 . GLY 64 64 11091 1 . ILE 65 65 11091 1 . ILE 66 66 11091 1 . GLU 67 67 11091 1 . PRO 68 68 11091 1 . SER 69 69 11091 1 . GLY 70 70 11091 1 . VAL 71 71 11091 1 . GLN 72 72 11091 1 . ALA 73 73 11091 1 . ILE 74 74 11091 1 . GLN 75 75 11091 1 . ILE 76 76 11091 1 . SER 77 77 11091 1 . PHE 78 78 11091 1 . SER 79 79 11091 1 . SER 80 80 11091 1 . ILE 81 81 11091 1 . ILE 82 82 11091 1 . LEU 83 83 11091 1 . GLY 84 84 11091 1 . ASN 85 85 11091 1 . PHE 86 86 11091 1 . GLU 87 87 11091 1 . GLU 88 88 11091 1 . GLU 89 89 11091 1 . PHE 90 90 11091 1 . LEU 91 91 11091 1 . VAL 92 92 11091 1 . ASN 93 93 11091 1 . VAL 94 94 11091 1 . ASN 95 95 11091 1 . GLY 96 96 11091 1 . SER 97 97 11091 1 . PRO 98 98 11091 1 . GLU 99 99 11091 1 . PRO 100 100 11091 1 . VAL 101 101 11091 1 . LYS 102 102 11091 1 . LEU 103 103 11091 1 . THR 104 104 11091 1 . ILE 105 105 11091 1 . ARG 106 106 11091 1 . GLY 107 107 11091 1 . CYS 108 108 11091 1 . VAL 109 109 11091 1 . ILE 110 110 11091 1 . GLY 111 111 11091 1 . PRO 112 112 11091 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 11091 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11091 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 11091 _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 . . . . . . . . . . . . . . . . P060327-17 . . . . . . 11091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11091 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM PapD domain [U-15N,13C], 20mM d-Tris-HCl(pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PapD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11091 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11091 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11091 1 4 DTT [U-2H] . . . . . salt 1 . . mM . . . . 11091 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11091 1 6 H2O . . . . . . solvent 90 . . % . . . . 11091 1 7 D2O . . . . . . solvent 10 . . % . . . . 11091 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 11091 _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 11091 1 pH 7.0 0.05 pH 11091 1 pressure 1 0.001 atm 11091 1 temperature 296 0.1 K 11091 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11091 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11091 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11091 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11091 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11091 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11091 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11091 _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.' . . 11091 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11091 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11091 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11091 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11091 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11091 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11091 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11091 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 11091 _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 11091 _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 . . . 11091 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 11091 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11091 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11091 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 11091 _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 . . . . . . . . . 11091 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11091 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11091 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 11091 _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 15N-separated NOESY' 1 $sample_1 isotropic 11091 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11091 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 . . 11091 1 2 $NMRPipe . . 11091 1 3 $NMRview . . 11091 1 4 $Kujira . . 11091 1 5 $CYANA . . 11091 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.547 0.030 . 1 . . . . 6 SER HA . 11091 1 2 . 1 1 7 7 GLY H H 1 8.217 0.030 . 1 . . . . 7 GLY H . 11091 1 3 . 1 1 7 7 GLY HA2 H 1 4.099 0.030 . 1 . . . . 7 GLY HA2 . 11091 1 4 . 1 1 7 7 GLY HA3 H 1 4.099 0.030 . 1 . . . . 7 GLY HA3 . 11091 1 5 . 1 1 7 7 GLY CA C 13 44.622 0.300 . 1 . . . . 7 GLY CA . 11091 1 6 . 1 1 7 7 GLY N N 15 110.406 0.300 . 1 . . . . 7 GLY N . 11091 1 7 . 1 1 8 8 PRO HA H 1 4.464 0.030 . 1 . . . . 8 PRO HA . 11091 1 8 . 1 1 8 8 PRO HB2 H 1 1.864 0.030 . 2 . . . . 8 PRO HB2 . 11091 1 9 . 1 1 8 8 PRO HB3 H 1 2.268 0.030 . 2 . . . . 8 PRO HB3 . 11091 1 10 . 1 1 8 8 PRO HD2 H 1 3.580 0.030 . 2 . . . . 8 PRO HD2 . 11091 1 11 . 1 1 8 8 PRO HG2 H 1 2.060 0.030 . 2 . . . . 8 PRO HG2 . 11091 1 12 . 1 1 8 8 PRO HG3 H 1 2.018 0.030 . 2 . . . . 8 PRO HG3 . 11091 1 13 . 1 1 8 8 PRO C C 13 177.049 0.300 . 1 . . . . 8 PRO C . 11091 1 14 . 1 1 8 8 PRO CA C 13 62.942 0.300 . 1 . . . . 8 PRO CA . 11091 1 15 . 1 1 8 8 PRO CB C 13 32.673 0.300 . 1 . . . . 8 PRO CB . 11091 1 16 . 1 1 8 8 PRO CD C 13 49.763 0.300 . 1 . . . . 8 PRO CD . 11091 1 17 . 1 1 8 8 PRO CG C 13 27.328 0.300 . 1 . . . . 8 PRO CG . 11091 1 18 . 1 1 9 9 LYS H H 1 8.438 0.030 . 1 . . . . 9 LYS H . 11091 1 19 . 1 1 9 9 LYS HA H 1 4.351 0.030 . 1 . . . . 9 LYS HA . 11091 1 20 . 1 1 9 9 LYS HB2 H 1 1.742 0.030 . 1 . . . . 9 LYS HB2 . 11091 1 21 . 1 1 9 9 LYS HB3 H 1 1.742 0.030 . 1 . . . . 9 LYS HB3 . 11091 1 22 . 1 1 9 9 LYS HD2 H 1 1.662 0.030 . 2 . . . . 9 LYS HD2 . 11091 1 23 . 1 1 9 9 LYS HD3 H 1 1.608 0.030 . 2 . . . . 9 LYS HD3 . 11091 1 24 . 1 1 9 9 LYS HE2 H 1 3.008 0.030 . 1 . . . . 9 LYS HE2 . 11091 1 25 . 1 1 9 9 LYS HE3 H 1 3.008 0.030 . 1 . . . . 9 LYS HE3 . 11091 1 26 . 1 1 9 9 LYS HG2 H 1 1.497 0.030 . 2 . . . . 9 LYS HG2 . 11091 1 27 . 1 1 9 9 LYS HG3 H 1 1.411 0.030 . 2 . . . . 9 LYS HG3 . 11091 1 28 . 1 1 9 9 LYS C C 13 174.514 0.300 . 1 . . . . 9 LYS C . 11091 1 29 . 1 1 9 9 LYS CA C 13 56.362 0.300 . 1 . . . . 9 LYS CA . 11091 1 30 . 1 1 9 9 LYS CB C 13 33.056 0.300 . 1 . . . . 9 LYS CB . 11091 1 31 . 1 1 9 9 LYS CD C 13 29.025 0.300 . 1 . . . . 9 LYS CD . 11091 1 32 . 1 1 9 9 LYS CE C 13 42.369 0.300 . 1 . . . . 9 LYS CE . 11091 1 33 . 1 1 9 9 LYS CG C 13 24.977 0.300 . 1 . . . . 9 LYS CG . 11091 1 34 . 1 1 9 9 LYS N N 15 121.271 0.300 . 1 . . . . 9 LYS N . 11091 1 35 . 1 1 10 10 ILE H H 1 7.581 0.030 . 1 . . . . 10 ILE H . 11091 1 36 . 1 1 10 10 ILE HA H 1 5.377 0.030 . 1 . . . . 10 ILE HA . 11091 1 37 . 1 1 10 10 ILE HB H 1 1.636 0.030 . 1 . . . . 10 ILE HB . 11091 1 38 . 1 1 10 10 ILE HD11 H 1 0.629 0.030 . 1 . . . . 10 ILE HD1 . 11091 1 39 . 1 1 10 10 ILE HD12 H 1 0.629 0.030 . 1 . . . . 10 ILE HD1 . 11091 1 40 . 1 1 10 10 ILE HD13 H 1 0.629 0.030 . 1 . . . . 10 ILE HD1 . 11091 1 41 . 1 1 10 10 ILE HG12 H 1 1.072 0.030 . 2 . . . . 10 ILE HG12 . 11091 1 42 . 1 1 10 10 ILE HG13 H 1 1.286 0.030 . 2 . . . . 10 ILE HG13 . 11091 1 43 . 1 1 10 10 ILE HG21 H 1 0.559 0.030 . 1 . . . . 10 ILE HG2 . 11091 1 44 . 1 1 10 10 ILE HG22 H 1 0.559 0.030 . 1 . . . . 10 ILE HG2 . 11091 1 45 . 1 1 10 10 ILE HG23 H 1 0.559 0.030 . 1 . . . . 10 ILE HG2 . 11091 1 46 . 1 1 10 10 ILE C C 13 174.803 0.300 . 1 . . . . 10 ILE C . 11091 1 47 . 1 1 10 10 ILE CA C 13 58.473 0.300 . 1 . . . . 10 ILE CA . 11091 1 48 . 1 1 10 10 ILE CB C 13 39.252 0.300 . 1 . . . . 10 ILE CB . 11091 1 49 . 1 1 10 10 ILE CD1 C 13 14.098 0.300 . 1 . . . . 10 ILE CD1 . 11091 1 50 . 1 1 10 10 ILE CG1 C 13 27.418 0.300 . 1 . . . . 10 ILE CG1 . 11091 1 51 . 1 1 10 10 ILE CG2 C 13 18.118 0.300 . 1 . . . . 10 ILE CG2 . 11091 1 52 . 1 1 10 10 ILE N N 15 118.158 0.300 . 1 . . . . 10 ILE N . 11091 1 53 . 1 1 11 11 HIS H H 1 7.848 0.030 . 1 . . . . 11 HIS H . 11091 1 54 . 1 1 11 11 HIS HA H 1 4.674 0.030 . 1 . . . . 11 HIS HA . 11091 1 55 . 1 1 11 11 HIS HB2 H 1 3.170 0.030 . 1 . . . . 11 HIS HB2 . 11091 1 56 . 1 1 11 11 HIS HB3 H 1 3.170 0.030 . 1 . . . . 11 HIS HB3 . 11091 1 57 . 1 1 11 11 HIS HD2 H 1 6.541 0.030 . 1 . . . . 11 HIS HD2 . 11091 1 58 . 1 1 11 11 HIS HE1 H 1 7.272 0.030 . 1 . . . . 11 HIS HE1 . 11091 1 59 . 1 1 11 11 HIS C C 13 173.457 0.300 . 1 . . . . 11 HIS C . 11091 1 60 . 1 1 11 11 HIS CA C 13 54.673 0.300 . 1 . . . . 11 HIS CA . 11091 1 61 . 1 1 11 11 HIS CB C 13 31.687 0.300 . 1 . . . . 11 HIS CB . 11091 1 62 . 1 1 11 11 HIS CD2 C 13 126.165 0.300 . 1 . . . . 11 HIS CD2 . 11091 1 63 . 1 1 11 11 HIS CE1 C 13 138.193 0.300 . 1 . . . . 11 HIS CE1 . 11091 1 64 . 1 1 11 11 HIS N N 15 118.131 0.300 . 1 . . . . 11 HIS N . 11091 1 65 . 1 1 12 12 PHE H H 1 9.100 0.030 . 1 . . . . 12 PHE H . 11091 1 66 . 1 1 12 12 PHE HA H 1 5.832 0.030 . 1 . . . . 12 PHE HA . 11091 1 67 . 1 1 12 12 PHE HB2 H 1 2.999 0.030 . 2 . . . . 12 PHE HB2 . 11091 1 68 . 1 1 12 12 PHE HB3 H 1 3.125 0.030 . 2 . . . . 12 PHE HB3 . 11091 1 69 . 1 1 12 12 PHE HD1 H 1 7.100 0.030 . 1 . . . . 12 PHE HD1 . 11091 1 70 . 1 1 12 12 PHE HD2 H 1 7.100 0.030 . 1 . . . . 12 PHE HD2 . 11091 1 71 . 1 1 12 12 PHE HE1 H 1 6.801 0.030 . 1 . . . . 12 PHE HE1 . 11091 1 72 . 1 1 12 12 PHE HE2 H 1 6.801 0.030 . 1 . . . . 12 PHE HE2 . 11091 1 73 . 1 1 12 12 PHE HZ H 1 6.697 0.030 . 1 . . . . 12 PHE HZ . 11091 1 74 . 1 1 12 12 PHE C C 13 178.593 0.300 . 1 . . . . 12 PHE C . 11091 1 75 . 1 1 12 12 PHE CA C 13 57.840 0.300 . 1 . . . . 12 PHE CA . 11091 1 76 . 1 1 12 12 PHE CB C 13 42.624 0.300 . 1 . . . . 12 PHE CB . 11091 1 77 . 1 1 12 12 PHE CD1 C 13 132.718 0.300 . 1 . . . . 12 PHE CD1 . 11091 1 78 . 1 1 12 12 PHE CD2 C 13 132.718 0.300 . 1 . . . . 12 PHE CD2 . 11091 1 79 . 1 1 12 12 PHE CE1 C 13 130.844 0.300 . 1 . . . . 12 PHE CE1 . 11091 1 80 . 1 1 12 12 PHE CE2 C 13 130.844 0.300 . 1 . . . . 12 PHE CE2 . 11091 1 81 . 1 1 12 12 PHE CZ C 13 128.109 0.300 . 1 . . . . 12 PHE CZ . 11091 1 82 . 1 1 12 12 PHE N N 15 119.258 0.300 . 1 . . . . 12 PHE N . 11091 1 83 . 1 1 13 13 ASN H H 1 9.724 0.030 . 1 . . . . 13 ASN H . 11091 1 84 . 1 1 13 13 ASN HA H 1 4.585 0.030 . 1 . . . . 13 ASN HA . 11091 1 85 . 1 1 13 13 ASN HB2 H 1 3.055 0.030 . 2 . . . . 13 ASN HB2 . 11091 1 86 . 1 1 13 13 ASN HB3 H 1 2.999 0.030 . 2 . . . . 13 ASN HB3 . 11091 1 87 . 1 1 13 13 ASN HD21 H 1 7.819 0.030 . 2 . . . . 13 ASN HD21 . 11091 1 88 . 1 1 13 13 ASN HD22 H 1 7.358 0.030 . 2 . . . . 13 ASN HD22 . 11091 1 89 . 1 1 13 13 ASN C C 13 174.163 0.300 . 1 . . . . 13 ASN C . 11091 1 90 . 1 1 13 13 ASN CA C 13 55.342 0.300 . 1 . . . . 13 ASN CA . 11091 1 91 . 1 1 13 13 ASN CB C 13 36.396 0.300 . 1 . . . . 13 ASN CB . 11091 1 92 . 1 1 13 13 ASN N N 15 118.796 0.300 . 1 . . . . 13 ASN N . 11091 1 93 . 1 1 13 13 ASN ND2 N 15 115.251 0.300 . 1 . . . . 13 ASN ND2 . 11091 1 94 . 1 1 14 14 PHE H H 1 7.099 0.030 . 1 . . . . 14 PHE H . 11091 1 95 . 1 1 14 14 PHE HA H 1 4.872 0.030 . 1 . . . . 14 PHE HA . 11091 1 96 . 1 1 14 14 PHE HB2 H 1 3.019 0.030 . 2 . . . . 14 PHE HB2 . 11091 1 97 . 1 1 14 14 PHE HB3 H 1 3.282 0.030 . 2 . . . . 14 PHE HB3 . 11091 1 98 . 1 1 14 14 PHE HD1 H 1 7.020 0.030 . 1 . . . . 14 PHE HD1 . 11091 1 99 . 1 1 14 14 PHE HD2 H 1 7.020 0.030 . 1 . . . . 14 PHE HD2 . 11091 1 100 . 1 1 14 14 PHE HE1 H 1 7.287 0.030 . 1 . . . . 14 PHE HE1 . 11091 1 101 . 1 1 14 14 PHE HE2 H 1 7.287 0.030 . 1 . . . . 14 PHE HE2 . 11091 1 102 . 1 1 14 14 PHE HZ H 1 7.313 0.030 . 1 . . . . 14 PHE HZ . 11091 1 103 . 1 1 14 14 PHE C C 13 173.940 0.300 . 1 . . . . 14 PHE C . 11091 1 104 . 1 1 14 14 PHE CA C 13 55.412 0.300 . 1 . . . . 14 PHE CA . 11091 1 105 . 1 1 14 14 PHE CB C 13 40.732 0.300 . 1 . . . . 14 PHE CB . 11091 1 106 . 1 1 14 14 PHE CD1 C 13 132.508 0.300 . 1 . . . . 14 PHE CD1 . 11091 1 107 . 1 1 14 14 PHE CD2 C 13 132.508 0.300 . 1 . . . . 14 PHE CD2 . 11091 1 108 . 1 1 14 14 PHE CE1 C 13 131.074 0.300 . 1 . . . . 14 PHE CE1 . 11091 1 109 . 1 1 14 14 PHE CE2 C 13 131.074 0.300 . 1 . . . . 14 PHE CE2 . 11091 1 110 . 1 1 14 14 PHE CZ C 13 129.586 0.300 . 1 . . . . 14 PHE CZ . 11091 1 111 . 1 1 14 14 PHE N N 15 114.899 0.300 . 1 . . . . 14 PHE N . 11091 1 112 . 1 1 15 15 GLU H H 1 8.660 0.030 . 1 . . . . 15 GLU H . 11091 1 113 . 1 1 15 15 GLU HA H 1 4.574 0.030 . 1 . . . . 15 GLU HA . 11091 1 114 . 1 1 15 15 GLU HB2 H 1 2.174 0.030 . 2 . . . . 15 GLU HB2 . 11091 1 115 . 1 1 15 15 GLU HB3 H 1 2.076 0.030 . 2 . . . . 15 GLU HB3 . 11091 1 116 . 1 1 15 15 GLU HG2 H 1 2.393 0.030 . 2 . . . . 15 GLU HG2 . 11091 1 117 . 1 1 15 15 GLU C C 13 175.538 0.300 . 1 . . . . 15 GLU C . 11091 1 118 . 1 1 15 15 GLU CA C 13 57.171 0.300 . 1 . . . . 15 GLU CA . 11091 1 119 . 1 1 15 15 GLU CB C 13 30.782 0.300 . 1 . . . . 15 GLU CB . 11091 1 120 . 1 1 15 15 GLU CG C 13 36.703 0.300 . 1 . . . . 15 GLU CG . 11091 1 121 . 1 1 15 15 GLU N N 15 116.853 0.300 . 1 . . . . 15 GLU N . 11091 1 122 . 1 1 16 16 LEU H H 1 7.623 0.030 . 1 . . . . 16 LEU H . 11091 1 123 . 1 1 16 16 LEU HA H 1 5.244 0.030 . 1 . . . . 16 LEU HA . 11091 1 124 . 1 1 16 16 LEU HB2 H 1 1.449 0.030 . 2 . . . . 16 LEU HB2 . 11091 1 125 . 1 1 16 16 LEU HB3 H 1 1.574 0.030 . 2 . . . . 16 LEU HB3 . 11091 1 126 . 1 1 16 16 LEU HD11 H 1 0.667 0.030 . 1 . . . . 16 LEU HD1 . 11091 1 127 . 1 1 16 16 LEU HD12 H 1 0.667 0.030 . 1 . . . . 16 LEU HD1 . 11091 1 128 . 1 1 16 16 LEU HD13 H 1 0.667 0.030 . 1 . . . . 16 LEU HD1 . 11091 1 129 . 1 1 16 16 LEU HD21 H 1 0.688 0.030 . 1 . . . . 16 LEU HD2 . 11091 1 130 . 1 1 16 16 LEU HD22 H 1 0.688 0.030 . 1 . . . . 16 LEU HD2 . 11091 1 131 . 1 1 16 16 LEU HD23 H 1 0.688 0.030 . 1 . . . . 16 LEU HD2 . 11091 1 132 . 1 1 16 16 LEU HG H 1 1.217 0.030 . 1 . . . . 16 LEU HG . 11091 1 133 . 1 1 16 16 LEU C C 13 174.080 0.300 . 1 . . . . 16 LEU C . 11091 1 134 . 1 1 16 16 LEU CA C 13 53.653 0.300 . 1 . . . . 16 LEU CA . 11091 1 135 . 1 1 16 16 LEU CB C 13 44.894 0.300 . 1 . . . . 16 LEU CB . 11091 1 136 . 1 1 16 16 LEU CD1 C 13 24.461 0.300 . 2 . . . . 16 LEU CD1 . 11091 1 137 . 1 1 16 16 LEU CD2 C 13 25.148 0.300 . 2 . . . . 16 LEU CD2 . 11091 1 138 . 1 1 16 16 LEU CG C 13 27.576 0.300 . 1 . . . . 16 LEU CG . 11091 1 139 . 1 1 16 16 LEU N N 15 122.839 0.300 . 1 . . . . 16 LEU N . 11091 1 140 . 1 1 17 17 LEU H H 1 8.888 0.030 . 1 . . . . 17 LEU H . 11091 1 141 . 1 1 17 17 LEU HA H 1 4.186 0.030 . 1 . . . . 17 LEU HA . 11091 1 142 . 1 1 17 17 LEU HB2 H 1 0.987 0.030 . 2 . . . . 17 LEU HB2 . 11091 1 143 . 1 1 17 17 LEU HB3 H 1 1.509 0.030 . 2 . . . . 17 LEU HB3 . 11091 1 144 . 1 1 17 17 LEU HD11 H 1 0.456 0.030 . 1 . . . . 17 LEU HD1 . 11091 1 145 . 1 1 17 17 LEU HD12 H 1 0.456 0.030 . 1 . . . . 17 LEU HD1 . 11091 1 146 . 1 1 17 17 LEU HD13 H 1 0.456 0.030 . 1 . . . . 17 LEU HD1 . 11091 1 147 . 1 1 17 17 LEU HD21 H 1 0.406 0.030 . 1 . . . . 17 LEU HD2 . 11091 1 148 . 1 1 17 17 LEU HD22 H 1 0.406 0.030 . 1 . . . . 17 LEU HD2 . 11091 1 149 . 1 1 17 17 LEU HD23 H 1 0.406 0.030 . 1 . . . . 17 LEU HD2 . 11091 1 150 . 1 1 17 17 LEU HG H 1 1.007 0.030 . 1 . . . . 17 LEU HG . 11091 1 151 . 1 1 17 17 LEU C C 13 172.605 0.300 . 1 . . . . 17 LEU C . 11091 1 152 . 1 1 17 17 LEU CA C 13 53.196 0.300 . 1 . . . . 17 LEU CA . 11091 1 153 . 1 1 17 17 LEU CB C 13 44.303 0.300 . 1 . . . . 17 LEU CB . 11091 1 154 . 1 1 17 17 LEU CD1 C 13 22.259 0.300 . 2 . . . . 17 LEU CD1 . 11091 1 155 . 1 1 17 17 LEU CD2 C 13 24.597 0.300 . 2 . . . . 17 LEU CD2 . 11091 1 156 . 1 1 17 17 LEU CG C 13 26.871 0.300 . 1 . . . . 17 LEU CG . 11091 1 157 . 1 1 17 17 LEU N N 15 129.080 0.300 . 1 . . . . 17 LEU N . 11091 1 158 . 1 1 18 18 ASP H H 1 8.552 0.030 . 1 . . . . 18 ASP H . 11091 1 159 . 1 1 18 18 ASP HA H 1 5.077 0.030 . 1 . . . . 18 ASP HA . 11091 1 160 . 1 1 18 18 ASP HB2 H 1 1.966 0.030 . 2 . . . . 18 ASP HB2 . 11091 1 161 . 1 1 18 18 ASP HB3 H 1 2.797 0.030 . 2 . . . . 18 ASP HB3 . 11091 1 162 . 1 1 18 18 ASP C C 13 177.309 0.300 . 1 . . . . 18 ASP C . 11091 1 163 . 1 1 18 18 ASP CA C 13 51.190 0.300 . 1 . . . . 18 ASP CA . 11091 1 164 . 1 1 18 18 ASP CB C 13 41.434 0.300 . 1 . . . . 18 ASP CB . 11091 1 165 . 1 1 18 18 ASP N N 15 126.539 0.300 . 1 . . . . 18 ASP N . 11091 1 166 . 1 1 19 19 ILE H H 1 8.778 0.030 . 1 . . . . 19 ILE H . 11091 1 167 . 1 1 19 19 ILE HA H 1 3.982 0.030 . 1 . . . . 19 ILE HA . 11091 1 168 . 1 1 19 19 ILE HB H 1 1.953 0.030 . 1 . . . . 19 ILE HB . 11091 1 169 . 1 1 19 19 ILE HD11 H 1 0.447 0.030 . 1 . . . . 19 ILE HD1 . 11091 1 170 . 1 1 19 19 ILE HD12 H 1 0.447 0.030 . 1 . . . . 19 ILE HD1 . 11091 1 171 . 1 1 19 19 ILE HD13 H 1 0.447 0.030 . 1 . . . . 19 ILE HD1 . 11091 1 172 . 1 1 19 19 ILE HG12 H 1 0.998 0.030 . 2 . . . . 19 ILE HG12 . 11091 1 173 . 1 1 19 19 ILE HG13 H 1 1.246 0.030 . 2 . . . . 19 ILE HG13 . 11091 1 174 . 1 1 19 19 ILE HG21 H 1 -0.082 0.030 . 1 . . . . 19 ILE HG2 . 11091 1 175 . 1 1 19 19 ILE HG22 H 1 -0.082 0.030 . 1 . . . . 19 ILE HG2 . 11091 1 176 . 1 1 19 19 ILE HG23 H 1 -0.082 0.030 . 1 . . . . 19 ILE HG2 . 11091 1 177 . 1 1 19 19 ILE C C 13 176.247 0.300 . 1 . . . . 19 ILE C . 11091 1 178 . 1 1 19 19 ILE CA C 13 61.490 0.300 . 1 . . . . 19 ILE CA . 11091 1 179 . 1 1 19 19 ILE CB C 13 37.540 0.300 . 1 . . . . 19 ILE CB . 11091 1 180 . 1 1 19 19 ILE CD1 C 13 14.658 0.300 . 1 . . . . 19 ILE CD1 . 11091 1 181 . 1 1 19 19 ILE CG1 C 13 25.355 0.300 . 1 . . . . 19 ILE CG1 . 11091 1 182 . 1 1 19 19 ILE CG2 C 13 17.049 0.300 . 1 . . . . 19 ILE CG2 . 11091 1 183 . 1 1 19 19 ILE N N 15 119.913 0.300 . 1 . . . . 19 ILE N . 11091 1 184 . 1 1 20 20 GLY H H 1 8.334 0.030 . 1 . . . . 20 GLY H . 11091 1 185 . 1 1 20 20 GLY HA2 H 1 3.543 0.030 . 2 . . . . 20 GLY HA2 . 11091 1 186 . 1 1 20 20 GLY HA3 H 1 3.768 0.030 . 2 . . . . 20 GLY HA3 . 11091 1 187 . 1 1 20 20 GLY C C 13 172.276 0.300 . 1 . . . . 20 GLY C . 11091 1 188 . 1 1 20 20 GLY CA C 13 45.595 0.300 . 1 . . . . 20 GLY CA . 11091 1 189 . 1 1 20 20 GLY N N 15 110.854 0.300 . 1 . . . . 20 GLY N . 11091 1 190 . 1 1 21 21 LYS H H 1 7.976 0.030 . 1 . . . . 21 LYS H . 11091 1 191 . 1 1 21 21 LYS HA H 1 5.228 0.030 . 1 . . . . 21 LYS HA . 11091 1 192 . 1 1 21 21 LYS HB2 H 1 1.685 0.030 . 2 . . . . 21 LYS HB2 . 11091 1 193 . 1 1 21 21 LYS HB3 H 1 1.425 0.030 . 2 . . . . 21 LYS HB3 . 11091 1 194 . 1 1 21 21 LYS HD2 H 1 1.626 0.030 . 2 . . . . 21 LYS HD2 . 11091 1 195 . 1 1 21 21 LYS HE2 H 1 2.923 0.030 . 2 . . . . 21 LYS HE2 . 11091 1 196 . 1 1 21 21 LYS HG2 H 1 1.165 0.030 . 2 . . . . 21 LYS HG2 . 11091 1 197 . 1 1 21 21 LYS HG3 H 1 1.502 0.030 . 2 . . . . 21 LYS HG3 . 11091 1 198 . 1 1 21 21 LYS C C 13 177.255 0.300 . 1 . . . . 21 LYS C . 11091 1 199 . 1 1 21 21 LYS CA C 13 55.281 0.300 . 1 . . . . 21 LYS CA . 11091 1 200 . 1 1 21 21 LYS CB C 13 33.277 0.300 . 1 . . . . 21 LYS CB . 11091 1 201 . 1 1 21 21 LYS CD C 13 29.697 0.300 . 1 . . . . 21 LYS CD . 11091 1 202 . 1 1 21 21 LYS CE C 13 42.262 0.300 . 1 . . . . 21 LYS CE . 11091 1 203 . 1 1 21 21 LYS CG C 13 25.843 0.300 . 1 . . . . 21 LYS CG . 11091 1 204 . 1 1 21 21 LYS N N 15 120.565 0.300 . 1 . . . . 21 LYS N . 11091 1 205 . 1 1 22 22 VAL H H 1 8.942 0.030 . 1 . . . . 22 VAL H . 11091 1 206 . 1 1 22 22 VAL HA H 1 4.556 0.030 . 1 . . . . 22 VAL HA . 11091 1 207 . 1 1 22 22 VAL HB H 1 1.887 0.030 . 1 . . . . 22 VAL HB . 11091 1 208 . 1 1 22 22 VAL HG11 H 1 0.506 0.030 . 1 . . . . 22 VAL HG1 . 11091 1 209 . 1 1 22 22 VAL HG12 H 1 0.506 0.030 . 1 . . . . 22 VAL HG1 . 11091 1 210 . 1 1 22 22 VAL HG13 H 1 0.506 0.030 . 1 . . . . 22 VAL HG1 . 11091 1 211 . 1 1 22 22 VAL HG21 H 1 0.896 0.030 . 1 . . . . 22 VAL HG2 . 11091 1 212 . 1 1 22 22 VAL HG22 H 1 0.896 0.030 . 1 . . . . 22 VAL HG2 . 11091 1 213 . 1 1 22 22 VAL HG23 H 1 0.896 0.030 . 1 . . . . 22 VAL HG2 . 11091 1 214 . 1 1 22 22 VAL C C 13 174.666 0.300 . 1 . . . . 22 VAL C . 11091 1 215 . 1 1 22 22 VAL CA C 13 58.614 0.300 . 1 . . . . 22 VAL CA . 11091 1 216 . 1 1 22 22 VAL CB C 13 35.537 0.300 . 1 . . . . 22 VAL CB . 11091 1 217 . 1 1 22 22 VAL CG1 C 13 21.183 0.300 . 2 . . . . 22 VAL CG1 . 11091 1 218 . 1 1 22 22 VAL CG2 C 13 18.903 0.300 . 2 . . . . 22 VAL CG2 . 11091 1 219 . 1 1 22 22 VAL N N 15 118.528 0.300 . 1 . . . . 22 VAL N . 11091 1 220 . 1 1 23 23 PHE H H 1 9.081 0.030 . 1 . . . . 23 PHE H . 11091 1 221 . 1 1 23 23 PHE HA H 1 4.960 0.030 . 1 . . . . 23 PHE HA . 11091 1 222 . 1 1 23 23 PHE HB2 H 1 3.064 0.030 . 2 . . . . 23 PHE HB2 . 11091 1 223 . 1 1 23 23 PHE HB3 H 1 3.140 0.030 . 2 . . . . 23 PHE HB3 . 11091 1 224 . 1 1 23 23 PHE HD1 H 1 7.330 0.030 . 1 . . . . 23 PHE HD1 . 11091 1 225 . 1 1 23 23 PHE HD2 H 1 7.330 0.030 . 1 . . . . 23 PHE HD2 . 11091 1 226 . 1 1 23 23 PHE HE1 H 1 7.326 0.030 . 1 . . . . 23 PHE HE1 . 11091 1 227 . 1 1 23 23 PHE HE2 H 1 7.326 0.030 . 1 . . . . 23 PHE HE2 . 11091 1 228 . 1 1 23 23 PHE HZ H 1 7.272 0.030 . 1 . . . . 23 PHE HZ . 11091 1 229 . 1 1 23 23 PHE C C 13 178.772 0.300 . 1 . . . . 23 PHE C . 11091 1 230 . 1 1 23 23 PHE CA C 13 58.473 0.300 . 1 . . . . 23 PHE CA . 11091 1 231 . 1 1 23 23 PHE CB C 13 40.487 0.300 . 1 . . . . 23 PHE CB . 11091 1 232 . 1 1 23 23 PHE CD1 C 13 132.125 0.300 . 1 . . . . 23 PHE CD1 . 11091 1 233 . 1 1 23 23 PHE CD2 C 13 132.125 0.300 . 1 . . . . 23 PHE CD2 . 11091 1 234 . 1 1 23 23 PHE CE1 C 13 131.760 0.300 . 1 . . . . 23 PHE CE1 . 11091 1 235 . 1 1 23 23 PHE CE2 C 13 131.760 0.300 . 1 . . . . 23 PHE CE2 . 11091 1 236 . 1 1 23 23 PHE CZ C 13 129.744 0.300 . 1 . . . . 23 PHE CZ . 11091 1 237 . 1 1 23 23 PHE N N 15 122.838 0.300 . 1 . . . . 23 PHE N . 11091 1 238 . 1 1 24 24 THR H H 1 8.752 0.030 . 1 . . . . 24 THR H . 11091 1 239 . 1 1 24 24 THR HA H 1 4.280 0.030 . 1 . . . . 24 THR HA . 11091 1 240 . 1 1 24 24 THR HB H 1 3.934 0.030 . 1 . . . . 24 THR HB . 11091 1 241 . 1 1 24 24 THR HG21 H 1 1.150 0.030 . 1 . . . . 24 THR HG2 . 11091 1 242 . 1 1 24 24 THR HG22 H 1 1.150 0.030 . 1 . . . . 24 THR HG2 . 11091 1 243 . 1 1 24 24 THR HG23 H 1 1.150 0.030 . 1 . . . . 24 THR HG2 . 11091 1 244 . 1 1 24 24 THR C C 13 174.520 0.300 . 1 . . . . 24 THR C . 11091 1 245 . 1 1 24 24 THR CA C 13 61.323 0.300 . 1 . . . . 24 THR CA . 11091 1 246 . 1 1 24 24 THR CB C 13 68.692 0.300 . 1 . . . . 24 THR CB . 11091 1 247 . 1 1 24 24 THR CG2 C 13 21.225 0.300 . 1 . . . . 24 THR CG2 . 11091 1 248 . 1 1 24 24 THR N N 15 121.435 0.300 . 1 . . . . 24 THR N . 11091 1 249 . 1 1 25 25 GLY H H 1 8.667 0.030 . 1 . . . . 25 GLY H . 11091 1 250 . 1 1 25 25 GLY HA2 H 1 3.434 0.030 . 2 . . . . 25 GLY HA2 . 11091 1 251 . 1 1 25 25 GLY HA3 H 1 4.104 0.030 . 2 . . . . 25 GLY HA3 . 11091 1 252 . 1 1 25 25 GLY C C 13 173.719 0.300 . 1 . . . . 25 GLY C . 11091 1 253 . 1 1 25 25 GLY CA C 13 45.560 0.300 . 1 . . . . 25 GLY CA . 11091 1 254 . 1 1 25 25 GLY N N 15 114.567 0.300 . 1 . . . . 25 GLY N . 11091 1 255 . 1 1 26 26 SER H H 1 7.924 0.030 . 1 . . . . 26 SER H . 11091 1 256 . 1 1 26 26 SER HA H 1 4.409 0.030 . 1 . . . . 26 SER HA . 11091 1 257 . 1 1 26 26 SER HB2 H 1 4.084 0.030 . 2 . . . . 26 SER HB2 . 11091 1 258 . 1 1 26 26 SER HB3 H 1 3.992 0.030 . 2 . . . . 26 SER HB3 . 11091 1 259 . 1 1 26 26 SER C C 13 173.510 0.300 . 1 . . . . 26 SER C . 11091 1 260 . 1 1 26 26 SER CA C 13 58.473 0.300 . 1 . . . . 26 SER CA . 11091 1 261 . 1 1 26 26 SER CB C 13 64.932 0.300 . 1 . . . . 26 SER CB . 11091 1 262 . 1 1 26 26 SER N N 15 116.188 0.300 . 1 . . . . 26 SER N . 11091 1 263 . 1 1 27 27 ALA H H 1 8.620 0.030 . 1 . . . . 27 ALA H . 11091 1 264 . 1 1 27 27 ALA HA H 1 5.065 0.030 . 1 . . . . 27 ALA HA . 11091 1 265 . 1 1 27 27 ALA HB1 H 1 1.267 0.030 . 1 . . . . 27 ALA HB . 11091 1 266 . 1 1 27 27 ALA HB2 H 1 1.267 0.030 . 1 . . . . 27 ALA HB . 11091 1 267 . 1 1 27 27 ALA HB3 H 1 1.267 0.030 . 1 . . . . 27 ALA HB . 11091 1 268 . 1 1 27 27 ALA C C 13 176.751 0.300 . 1 . . . . 27 ALA C . 11091 1 269 . 1 1 27 27 ALA CA C 13 51.542 0.300 . 1 . . . . 27 ALA CA . 11091 1 270 . 1 1 27 27 ALA CB C 13 20.211 0.300 . 1 . . . . 27 ALA CB . 11091 1 271 . 1 1 27 27 ALA N N 15 126.639 0.300 . 1 . . . . 27 ALA N . 11091 1 272 . 1 1 28 28 HIS H H 1 8.712 0.030 . 1 . . . . 28 HIS H . 11091 1 273 . 1 1 28 28 HIS HA H 1 4.655 0.030 . 1 . . . . 28 HIS HA . 11091 1 274 . 1 1 28 28 HIS HB2 H 1 2.963 0.030 . 2 . . . . 28 HIS HB2 . 11091 1 275 . 1 1 28 28 HIS HB3 H 1 3.154 0.030 . 2 . . . . 28 HIS HB3 . 11091 1 276 . 1 1 28 28 HIS HD2 H 1 7.084 0.030 . 1 . . . . 28 HIS HD2 . 11091 1 277 . 1 1 28 28 HIS HE1 H 1 8.466 0.030 . 1 . . . . 28 HIS HE1 . 11091 1 278 . 1 1 28 28 HIS C C 13 173.777 0.300 . 1 . . . . 28 HIS C . 11091 1 279 . 1 1 28 28 HIS CA C 13 55.342 0.300 . 1 . . . . 28 HIS CA . 11091 1 280 . 1 1 28 28 HIS CB C 13 35.678 0.300 . 1 . . . . 28 HIS CB . 11091 1 281 . 1 1 28 28 HIS CD2 C 13 119.766 0.300 . 1 . . . . 28 HIS CD2 . 11091 1 282 . 1 1 28 28 HIS CE1 C 13 137.606 0.300 . 1 . . . . 28 HIS CE1 . 11091 1 283 . 1 1 28 28 HIS N N 15 120.470 0.300 . 1 . . . . 28 HIS N . 11091 1 284 . 1 1 29 29 CYS H H 1 8.329 0.030 . 1 . . . . 29 CYS H . 11091 1 285 . 1 1 29 29 CYS HA H 1 5.466 0.030 . 1 . . . . 29 CYS HA . 11091 1 286 . 1 1 29 29 CYS HB2 H 1 2.617 0.030 . 2 . . . . 29 CYS HB2 . 11091 1 287 . 1 1 29 29 CYS HB3 H 1 2.820 0.030 . 2 . . . . 29 CYS HB3 . 11091 1 288 . 1 1 29 29 CYS C C 13 172.542 0.300 . 1 . . . . 29 CYS C . 11091 1 289 . 1 1 29 29 CYS CA C 13 57.277 0.300 . 1 . . . . 29 CYS CA . 11091 1 290 . 1 1 29 29 CYS CB C 13 30.092 0.300 . 1 . . . . 29 CYS CB . 11091 1 291 . 1 1 29 29 CYS N N 15 120.404 0.300 . 1 . . . . 29 CYS N . 11091 1 292 . 1 1 30 30 TYR H H 1 9.436 0.030 . 1 . . . . 30 TYR H . 11091 1 293 . 1 1 30 30 TYR HA H 1 4.822 0.030 . 1 . . . . 30 TYR HA . 11091 1 294 . 1 1 30 30 TYR HB2 H 1 2.393 0.030 . 2 . . . . 30 TYR HB2 . 11091 1 295 . 1 1 30 30 TYR HB3 H 1 3.271 0.030 . 2 . . . . 30 TYR HB3 . 11091 1 296 . 1 1 30 30 TYR HD1 H 1 6.967 0.030 . 1 . . . . 30 TYR HD1 . 11091 1 297 . 1 1 30 30 TYR HD2 H 1 6.967 0.030 . 1 . . . . 30 TYR HD2 . 11091 1 298 . 1 1 30 30 TYR HE1 H 1 6.628 0.030 . 1 . . . . 30 TYR HE1 . 11091 1 299 . 1 1 30 30 TYR HE2 H 1 6.628 0.030 . 1 . . . . 30 TYR HE2 . 11091 1 300 . 1 1 30 30 TYR C C 13 173.948 0.300 . 1 . . . . 30 TYR C . 11091 1 301 . 1 1 30 30 TYR CA C 13 56.468 0.300 . 1 . . . . 30 TYR CA . 11091 1 302 . 1 1 30 30 TYR CB C 13 42.502 0.300 . 1 . . . . 30 TYR CB . 11091 1 303 . 1 1 30 30 TYR CD1 C 13 133.285 0.300 . 1 . . . . 30 TYR CD1 . 11091 1 304 . 1 1 30 30 TYR CD2 C 13 133.285 0.300 . 1 . . . . 30 TYR CD2 . 11091 1 305 . 1 1 30 30 TYR CE1 C 13 117.949 0.300 . 1 . . . . 30 TYR CE1 . 11091 1 306 . 1 1 30 30 TYR CE2 C 13 117.949 0.300 . 1 . . . . 30 TYR CE2 . 11091 1 307 . 1 1 30 30 TYR N N 15 124.295 0.300 . 1 . . . . 30 TYR N . 11091 1 308 . 1 1 31 31 GLU H H 1 8.576 0.030 . 1 . . . . 31 GLU H . 11091 1 309 . 1 1 31 31 GLU HA H 1 5.352 0.030 . 1 . . . . 31 GLU HA . 11091 1 310 . 1 1 31 31 GLU HB2 H 1 2.000 0.030 . 1 . . . . 31 GLU HB2 . 11091 1 311 . 1 1 31 31 GLU HB3 H 1 2.000 0.030 . 1 . . . . 31 GLU HB3 . 11091 1 312 . 1 1 31 31 GLU HG2 H 1 1.993 0.030 . 2 . . . . 31 GLU HG2 . 11091 1 313 . 1 1 31 31 GLU HG3 H 1 2.118 0.030 . 2 . . . . 31 GLU HG3 . 11091 1 314 . 1 1 31 31 GLU C C 13 174.755 0.300 . 1 . . . . 31 GLU C . 11091 1 315 . 1 1 31 31 GLU CA C 13 55.764 0.300 . 1 . . . . 31 GLU CA . 11091 1 316 . 1 1 31 31 GLU CB C 13 34.154 0.300 . 1 . . . . 31 GLU CB . 11091 1 317 . 1 1 31 31 GLU CG C 13 38.028 0.300 . 1 . . . . 31 GLU CG . 11091 1 318 . 1 1 31 31 GLU N N 15 121.541 0.300 . 1 . . . . 31 GLU N . 11091 1 319 . 1 1 32 32 ALA H H 1 9.007 0.030 . 1 . . . . 32 ALA H . 11091 1 320 . 1 1 32 32 ALA HA H 1 4.903 0.030 . 1 . . . . 32 ALA HA . 11091 1 321 . 1 1 32 32 ALA HB1 H 1 1.247 0.030 . 1 . . . . 32 ALA HB . 11091 1 322 . 1 1 32 32 ALA HB2 H 1 1.247 0.030 . 1 . . . . 32 ALA HB . 11091 1 323 . 1 1 32 32 ALA HB3 H 1 1.247 0.030 . 1 . . . . 32 ALA HB . 11091 1 324 . 1 1 32 32 ALA C C 13 174.673 0.300 . 1 . . . . 32 ALA C . 11091 1 325 . 1 1 32 32 ALA CA C 13 50.592 0.300 . 1 . . . . 32 ALA CA . 11091 1 326 . 1 1 32 32 ALA CB C 13 23.169 0.300 . 1 . . . . 32 ALA CB . 11091 1 327 . 1 1 32 32 ALA N N 15 128.122 0.300 . 1 . . . . 32 ALA N . 11091 1 328 . 1 1 33 33 ILE H H 1 8.276 0.030 . 1 . . . . 33 ILE H . 11091 1 329 . 1 1 33 33 ILE HA H 1 4.391 0.030 . 1 . . . . 33 ILE HA . 11091 1 330 . 1 1 33 33 ILE HB H 1 1.326 0.030 . 1 . . . . 33 ILE HB . 11091 1 331 . 1 1 33 33 ILE HD11 H 1 0.742 0.030 . 1 . . . . 33 ILE HD1 . 11091 1 332 . 1 1 33 33 ILE HD12 H 1 0.742 0.030 . 1 . . . . 33 ILE HD1 . 11091 1 333 . 1 1 33 33 ILE HD13 H 1 0.742 0.030 . 1 . . . . 33 ILE HD1 . 11091 1 334 . 1 1 33 33 ILE HG12 H 1 1.408 0.030 . 2 . . . . 33 ILE HG12 . 11091 1 335 . 1 1 33 33 ILE HG13 H 1 0.899 0.030 . 2 . . . . 33 ILE HG13 . 11091 1 336 . 1 1 33 33 ILE HG21 H 1 0.126 0.030 . 1 . . . . 33 ILE HG2 . 11091 1 337 . 1 1 33 33 ILE HG22 H 1 0.126 0.030 . 1 . . . . 33 ILE HG2 . 11091 1 338 . 1 1 33 33 ILE HG23 H 1 0.126 0.030 . 1 . . . . 33 ILE HG2 . 11091 1 339 . 1 1 33 33 ILE C C 13 173.473 0.300 . 1 . . . . 33 ILE C . 11091 1 340 . 1 1 33 33 ILE CA C 13 60.444 0.300 . 1 . . . . 33 ILE CA . 11091 1 341 . 1 1 33 33 ILE CB C 13 40.182 0.300 . 1 . . . . 33 ILE CB . 11091 1 342 . 1 1 33 33 ILE CD1 C 13 12.149 0.300 . 1 . . . . 33 ILE CD1 . 11091 1 343 . 1 1 33 33 ILE CG1 C 13 27.410 0.300 . 1 . . . . 33 ILE CG1 . 11091 1 344 . 1 1 33 33 ILE CG2 C 13 17.967 0.300 . 1 . . . . 33 ILE CG2 . 11091 1 345 . 1 1 33 33 ILE N N 15 120.726 0.300 . 1 . . . . 33 ILE N . 11091 1 346 . 1 1 34 34 LEU H H 1 8.275 0.030 . 1 . . . . 34 LEU H . 11091 1 347 . 1 1 34 34 LEU HA H 1 4.225 0.030 . 1 . . . . 34 LEU HA . 11091 1 348 . 1 1 34 34 LEU HB2 H 1 0.914 0.030 . 2 . . . . 34 LEU HB2 . 11091 1 349 . 1 1 34 34 LEU HB3 H 1 0.760 0.030 . 2 . . . . 34 LEU HB3 . 11091 1 350 . 1 1 34 34 LEU HD11 H 1 -0.535 0.030 . 1 . . . . 34 LEU HD1 . 11091 1 351 . 1 1 34 34 LEU HD12 H 1 -0.535 0.030 . 1 . . . . 34 LEU HD1 . 11091 1 352 . 1 1 34 34 LEU HD13 H 1 -0.535 0.030 . 1 . . . . 34 LEU HD1 . 11091 1 353 . 1 1 34 34 LEU HD21 H 1 -0.623 0.030 . 1 . . . . 34 LEU HD2 . 11091 1 354 . 1 1 34 34 LEU HD22 H 1 -0.623 0.030 . 1 . . . . 34 LEU HD2 . 11091 1 355 . 1 1 34 34 LEU HD23 H 1 -0.623 0.030 . 1 . . . . 34 LEU HD2 . 11091 1 356 . 1 1 34 34 LEU HG H 1 0.598 0.030 . 1 . . . . 34 LEU HG . 11091 1 357 . 1 1 34 34 LEU C C 13 174.535 0.300 . 1 . . . . 34 LEU C . 11091 1 358 . 1 1 34 34 LEU CA C 13 52.809 0.300 . 1 . . . . 34 LEU CA . 11091 1 359 . 1 1 34 34 LEU CB C 13 45.091 0.300 . 1 . . . . 34 LEU CB . 11091 1 360 . 1 1 34 34 LEU CD1 C 13 22.445 0.300 . 2 . . . . 34 LEU CD1 . 11091 1 361 . 1 1 34 34 LEU CD2 C 13 23.545 0.300 . 2 . . . . 34 LEU CD2 . 11091 1 362 . 1 1 34 34 LEU CG C 13 25.877 0.300 . 1 . . . . 34 LEU CG . 11091 1 363 . 1 1 34 34 LEU N N 15 127.279 0.300 . 1 . . . . 34 LEU N . 11091 1 364 . 1 1 35 35 TYR H H 1 8.440 0.030 . 1 . . . . 35 TYR H . 11091 1 365 . 1 1 35 35 TYR HA H 1 4.671 0.030 . 1 . . . . 35 TYR HA . 11091 1 366 . 1 1 35 35 TYR HB2 H 1 2.033 0.030 . 2 . . . . 35 TYR HB2 . 11091 1 367 . 1 1 35 35 TYR HB3 H 1 2.638 0.030 . 2 . . . . 35 TYR HB3 . 11091 1 368 . 1 1 35 35 TYR HD1 H 1 6.786 0.030 . 1 . . . . 35 TYR HD1 . 11091 1 369 . 1 1 35 35 TYR HD2 H 1 6.786 0.030 . 1 . . . . 35 TYR HD2 . 11091 1 370 . 1 1 35 35 TYR HE1 H 1 6.535 0.030 . 1 . . . . 35 TYR HE1 . 11091 1 371 . 1 1 35 35 TYR HE2 H 1 6.535 0.030 . 1 . . . . 35 TYR HE2 . 11091 1 372 . 1 1 35 35 TYR C C 13 175.159 0.300 . 1 . . . . 35 TYR C . 11091 1 373 . 1 1 35 35 TYR CA C 13 56.679 0.300 . 1 . . . . 35 TYR CA . 11091 1 374 . 1 1 35 35 TYR CB C 13 40.897 0.300 . 1 . . . . 35 TYR CB . 11091 1 375 . 1 1 35 35 TYR CD1 C 13 133.551 0.300 . 1 . . . . 35 TYR CD1 . 11091 1 376 . 1 1 35 35 TYR CD2 C 13 133.551 0.300 . 1 . . . . 35 TYR CD2 . 11091 1 377 . 1 1 35 35 TYR CE1 C 13 117.603 0.300 . 1 . . . . 35 TYR CE1 . 11091 1 378 . 1 1 35 35 TYR CE2 C 13 117.603 0.300 . 1 . . . . 35 TYR CE2 . 11091 1 379 . 1 1 35 35 TYR N N 15 120.779 0.300 . 1 . . . . 35 TYR N . 11091 1 380 . 1 1 36 36 ASN H H 1 7.831 0.030 . 1 . . . . 36 ASN H . 11091 1 381 . 1 1 36 36 ASN HA H 1 5.186 0.030 . 1 . . . . 36 ASN HA . 11091 1 382 . 1 1 36 36 ASN HB2 H 1 2.004 0.030 . 2 . . . . 36 ASN HB2 . 11091 1 383 . 1 1 36 36 ASN HB3 H 1 3.209 0.030 . 2 . . . . 36 ASN HB3 . 11091 1 384 . 1 1 36 36 ASN HD21 H 1 6.542 0.030 . 2 . . . . 36 ASN HD21 . 11091 1 385 . 1 1 36 36 ASN HD22 H 1 7.239 0.030 . 2 . . . . 36 ASN HD22 . 11091 1 386 . 1 1 36 36 ASN C C 13 175.581 0.300 . 1 . . . . 36 ASN C . 11091 1 387 . 1 1 36 36 ASN CA C 13 51.260 0.300 . 1 . . . . 36 ASN CA . 11091 1 388 . 1 1 36 36 ASN CB C 13 39.058 0.300 . 1 . . . . 36 ASN CB . 11091 1 389 . 1 1 36 36 ASN N N 15 114.745 0.300 . 1 . . . . 36 ASN N . 11091 1 390 . 1 1 36 36 ASN ND2 N 15 111.483 0.300 . 1 . . . . 36 ASN ND2 . 11091 1 391 . 1 1 37 37 LYS H H 1 8.979 0.030 . 1 . . . . 37 LYS H . 11091 1 392 . 1 1 37 37 LYS HA H 1 4.625 0.030 . 1 . . . . 37 LYS HA . 11091 1 393 . 1 1 37 37 LYS HB2 H 1 1.858 0.030 . 2 . . . . 37 LYS HB2 . 11091 1 394 . 1 1 37 37 LYS HB3 H 1 2.119 0.030 . 2 . . . . 37 LYS HB3 . 11091 1 395 . 1 1 37 37 LYS HD2 H 1 1.711 0.030 . 2 . . . . 37 LYS HD2 . 11091 1 396 . 1 1 37 37 LYS HD3 H 1 1.614 0.030 . 2 . . . . 37 LYS HD3 . 11091 1 397 . 1 1 37 37 LYS HE2 H 1 2.828 0.030 . 2 . . . . 37 LYS HE2 . 11091 1 398 . 1 1 37 37 LYS HE3 H 1 2.665 0.030 . 2 . . . . 37 LYS HE3 . 11091 1 399 . 1 1 37 37 LYS HG2 H 1 1.387 0.030 . 2 . . . . 37 LYS HG2 . 11091 1 400 . 1 1 37 37 LYS HG3 H 1 1.573 0.030 . 2 . . . . 37 LYS HG3 . 11091 1 401 . 1 1 37 37 LYS C C 13 177.451 0.300 . 1 . . . . 37 LYS C . 11091 1 402 . 1 1 37 37 LYS CA C 13 54.884 0.300 . 1 . . . . 37 LYS CA . 11091 1 403 . 1 1 37 37 LYS CB C 13 32.345 0.300 . 1 . . . . 37 LYS CB . 11091 1 404 . 1 1 37 37 LYS CD C 13 28.648 0.300 . 1 . . . . 37 LYS CD . 11091 1 405 . 1 1 37 37 LYS CE C 13 41.850 0.300 . 1 . . . . 37 LYS CE . 11091 1 406 . 1 1 37 37 LYS CG C 13 25.130 0.300 . 1 . . . . 37 LYS CG . 11091 1 407 . 1 1 37 37 LYS N N 15 124.009 0.300 . 1 . . . . 37 LYS N . 11091 1 408 . 1 1 38 38 GLY H H 1 8.282 0.030 . 1 . . . . 38 GLY H . 11091 1 409 . 1 1 38 38 GLY HA2 H 1 4.009 0.030 . 2 . . . . 38 GLY HA2 . 11091 1 410 . 1 1 38 38 GLY HA3 H 1 4.492 0.030 . 2 . . . . 38 GLY HA3 . 11091 1 411 . 1 1 38 38 GLY C C 13 173.190 0.300 . 1 . . . . 38 GLY C . 11091 1 412 . 1 1 38 38 GLY CA C 13 44.294 0.300 . 1 . . . . 38 GLY CA . 11091 1 413 . 1 1 38 38 GLY N N 15 108.122 0.300 . 1 . . . . 38 GLY N . 11091 1 414 . 1 1 39 39 SER H H 1 8.542 0.030 . 1 . . . . 39 SER H . 11091 1 415 . 1 1 39 39 SER HA H 1 4.535 0.030 . 1 . . . . 39 SER HA . 11091 1 416 . 1 1 39 39 SER HB2 H 1 3.890 0.030 . 2 . . . . 39 SER HB2 . 11091 1 417 . 1 1 39 39 SER HB3 H 1 3.994 0.030 . 2 . . . . 39 SER HB3 . 11091 1 418 . 1 1 39 39 SER C C 13 173.570 0.300 . 1 . . . . 39 SER C . 11091 1 419 . 1 1 39 39 SER CA C 13 58.684 0.300 . 1 . . . . 39 SER CA . 11091 1 420 . 1 1 39 39 SER CB C 13 64.368 0.300 . 1 . . . . 39 SER CB . 11091 1 421 . 1 1 39 39 SER N N 15 110.612 0.300 . 1 . . . . 39 SER N . 11091 1 422 . 1 1 40 40 ILE H H 1 7.172 0.030 . 1 . . . . 40 ILE H . 11091 1 423 . 1 1 40 40 ILE HA H 1 4.668 0.030 . 1 . . . . 40 ILE HA . 11091 1 424 . 1 1 40 40 ILE HB H 1 1.904 0.030 . 1 . . . . 40 ILE HB . 11091 1 425 . 1 1 40 40 ILE HD11 H 1 0.870 0.030 . 1 . . . . 40 ILE HD1 . 11091 1 426 . 1 1 40 40 ILE HD12 H 1 0.870 0.030 . 1 . . . . 40 ILE HD1 . 11091 1 427 . 1 1 40 40 ILE HD13 H 1 0.870 0.030 . 1 . . . . 40 ILE HD1 . 11091 1 428 . 1 1 40 40 ILE HG12 H 1 1.330 0.030 . 2 . . . . 40 ILE HG12 . 11091 1 429 . 1 1 40 40 ILE HG13 H 1 0.999 0.030 . 2 . . . . 40 ILE HG13 . 11091 1 430 . 1 1 40 40 ILE HG21 H 1 0.917 0.030 . 1 . . . . 40 ILE HG2 . 11091 1 431 . 1 1 40 40 ILE HG22 H 1 0.917 0.030 . 1 . . . . 40 ILE HG2 . 11091 1 432 . 1 1 40 40 ILE HG23 H 1 0.917 0.030 . 1 . . . . 40 ILE HG2 . 11091 1 433 . 1 1 40 40 ILE C C 13 175.233 0.300 . 1 . . . . 40 ILE C . 11091 1 434 . 1 1 40 40 ILE CA C 13 59.036 0.300 . 1 . . . . 40 ILE CA . 11091 1 435 . 1 1 40 40 ILE CB C 13 42.130 0.300 . 1 . . . . 40 ILE CB . 11091 1 436 . 1 1 40 40 ILE CD1 C 13 13.588 0.300 . 1 . . . . 40 ILE CD1 . 11091 1 437 . 1 1 40 40 ILE CG1 C 13 25.437 0.300 . 1 . . . . 40 ILE CG1 . 11091 1 438 . 1 1 40 40 ILE CG2 C 13 17.479 0.300 . 1 . . . . 40 ILE CG2 . 11091 1 439 . 1 1 40 40 ILE N N 15 114.941 0.300 . 1 . . . . 40 ILE N . 11091 1 440 . 1 1 41 41 ASP H H 1 8.597 0.030 . 1 . . . . 41 ASP H . 11091 1 441 . 1 1 41 41 ASP HA H 1 4.320 0.030 . 1 . . . . 41 ASP HA . 11091 1 442 . 1 1 41 41 ASP HB2 H 1 2.374 0.030 . 2 . . . . 41 ASP HB2 . 11091 1 443 . 1 1 41 41 ASP HB3 H 1 2.221 0.030 . 2 . . . . 41 ASP HB3 . 11091 1 444 . 1 1 41 41 ASP C C 13 174.921 0.300 . 1 . . . . 41 ASP C . 11091 1 445 . 1 1 41 41 ASP CA C 13 55.764 0.300 . 1 . . . . 41 ASP CA . 11091 1 446 . 1 1 41 41 ASP CB C 13 41.308 0.300 . 1 . . . . 41 ASP CB . 11091 1 447 . 1 1 41 41 ASP N N 15 124.368 0.300 . 1 . . . . 41 ASP N . 11091 1 448 . 1 1 42 42 ALA H H 1 8.588 0.030 . 1 . . . . 42 ALA H . 11091 1 449 . 1 1 42 42 ALA HA H 1 4.832 0.030 . 1 . . . . 42 ALA HA . 11091 1 450 . 1 1 42 42 ALA HB1 H 1 1.171 0.030 . 1 . . . . 42 ALA HB . 11091 1 451 . 1 1 42 42 ALA HB2 H 1 1.171 0.030 . 1 . . . . 42 ALA HB . 11091 1 452 . 1 1 42 42 ALA HB3 H 1 1.171 0.030 . 1 . . . . 42 ALA HB . 11091 1 453 . 1 1 42 42 ALA C C 13 174.847 0.300 . 1 . . . . 42 ALA C . 11091 1 454 . 1 1 42 42 ALA CA C 13 50.029 0.300 . 1 . . . . 42 ALA CA . 11091 1 455 . 1 1 42 42 ALA CB C 13 21.157 0.300 . 1 . . . . 42 ALA CB . 11091 1 456 . 1 1 42 42 ALA N N 15 123.452 0.300 . 1 . . . . 42 ALA N . 11091 1 457 . 1 1 43 43 LEU H H 1 8.901 0.030 . 1 . . . . 43 LEU H . 11091 1 458 . 1 1 43 43 LEU HA H 1 5.048 0.030 . 1 . . . . 43 LEU HA . 11091 1 459 . 1 1 43 43 LEU HB2 H 1 1.545 0.030 . 2 . . . . 43 LEU HB2 . 11091 1 460 . 1 1 43 43 LEU HB3 H 1 1.673 0.030 . 2 . . . . 43 LEU HB3 . 11091 1 461 . 1 1 43 43 LEU HD11 H 1 0.828 0.030 . 1 . . . . 43 LEU HD1 . 11091 1 462 . 1 1 43 43 LEU HD12 H 1 0.828 0.030 . 1 . . . . 43 LEU HD1 . 11091 1 463 . 1 1 43 43 LEU HD13 H 1 0.828 0.030 . 1 . . . . 43 LEU HD1 . 11091 1 464 . 1 1 43 43 LEU HD21 H 1 0.812 0.030 . 1 . . . . 43 LEU HD2 . 11091 1 465 . 1 1 43 43 LEU HD22 H 1 0.812 0.030 . 1 . . . . 43 LEU HD2 . 11091 1 466 . 1 1 43 43 LEU HD23 H 1 0.812 0.030 . 1 . . . . 43 LEU HD2 . 11091 1 467 . 1 1 43 43 LEU HG H 1 1.576 0.030 . 1 . . . . 43 LEU HG . 11091 1 468 . 1 1 43 43 LEU C C 13 175.698 0.300 . 1 . . . . 43 LEU C . 11091 1 469 . 1 1 43 43 LEU CA C 13 54.814 0.300 . 1 . . . . 43 LEU CA . 11091 1 470 . 1 1 43 43 LEU CB C 13 42.130 0.300 . 1 . . . . 43 LEU CB . 11091 1 471 . 1 1 43 43 LEU CD1 C 13 24.444 0.300 . 2 . . . . 43 LEU CD1 . 11091 1 472 . 1 1 43 43 LEU CD2 C 13 25.514 0.300 . 2 . . . . 43 LEU CD2 . 11091 1 473 . 1 1 43 43 LEU CG C 13 28.845 0.300 . 1 . . . . 43 LEU CG . 11091 1 474 . 1 1 43 43 LEU N N 15 127.772 0.300 . 1 . . . . 43 LEU N . 11091 1 475 . 1 1 44 44 PHE H H 1 8.641 0.030 . 1 . . . . 44 PHE H . 11091 1 476 . 1 1 44 44 PHE HA H 1 6.122 0.030 . 1 . . . . 44 PHE HA . 11091 1 477 . 1 1 44 44 PHE HB2 H 1 2.868 0.030 . 2 . . . . 44 PHE HB2 . 11091 1 478 . 1 1 44 44 PHE HB3 H 1 2.283 0.030 . 2 . . . . 44 PHE HB3 . 11091 1 479 . 1 1 44 44 PHE HD1 H 1 6.675 0.030 . 1 . . . . 44 PHE HD1 . 11091 1 480 . 1 1 44 44 PHE HD2 H 1 6.675 0.030 . 1 . . . . 44 PHE HD2 . 11091 1 481 . 1 1 44 44 PHE HE1 H 1 6.775 0.030 . 1 . . . . 44 PHE HE1 . 11091 1 482 . 1 1 44 44 PHE HE2 H 1 6.775 0.030 . 1 . . . . 44 PHE HE2 . 11091 1 483 . 1 1 44 44 PHE HZ H 1 6.637 0.030 . 1 . . . . 44 PHE HZ . 11091 1 484 . 1 1 44 44 PHE C C 13 174.002 0.300 . 1 . . . . 44 PHE C . 11091 1 485 . 1 1 44 44 PHE CA C 13 54.497 0.300 . 1 . . . . 44 PHE CA . 11091 1 486 . 1 1 44 44 PHE CB C 13 43.240 0.300 . 1 . . . . 44 PHE CB . 11091 1 487 . 1 1 44 44 PHE CD1 C 13 131.711 0.300 . 1 . . . . 44 PHE CD1 . 11091 1 488 . 1 1 44 44 PHE CD2 C 13 131.711 0.300 . 1 . . . . 44 PHE CD2 . 11091 1 489 . 1 1 44 44 PHE CE1 C 13 129.861 0.300 . 1 . . . . 44 PHE CE1 . 11091 1 490 . 1 1 44 44 PHE CE2 C 13 129.861 0.300 . 1 . . . . 44 PHE CE2 . 11091 1 491 . 1 1 44 44 PHE CZ C 13 128.939 0.300 . 1 . . . . 44 PHE CZ . 11091 1 492 . 1 1 44 44 PHE N N 15 121.991 0.300 . 1 . . . . 44 PHE N . 11091 1 493 . 1 1 45 45 ASN H H 1 8.860 0.030 . 1 . . . . 45 ASN H . 11091 1 494 . 1 1 45 45 ASN HA H 1 5.163 0.030 . 1 . . . . 45 ASN HA . 11091 1 495 . 1 1 45 45 ASN HB2 H 1 2.821 0.030 . 2 . . . . 45 ASN HB2 . 11091 1 496 . 1 1 45 45 ASN HB3 H 1 2.753 0.030 . 2 . . . . 45 ASN HB3 . 11091 1 497 . 1 1 45 45 ASN HD21 H 1 7.392 0.030 . 2 . . . . 45 ASN HD21 . 11091 1 498 . 1 1 45 45 ASN HD22 H 1 6.830 0.030 . 2 . . . . 45 ASN HD22 . 11091 1 499 . 1 1 45 45 ASN C C 13 173.934 0.300 . 1 . . . . 45 ASN C . 11091 1 500 . 1 1 45 45 ASN CA C 13 53.408 0.300 . 1 . . . . 45 ASN CA . 11091 1 501 . 1 1 45 45 ASN CB C 13 41.719 0.300 . 1 . . . . 45 ASN CB . 11091 1 502 . 1 1 45 45 ASN N N 15 116.158 0.300 . 1 . . . . 45 ASN N . 11091 1 503 . 1 1 45 45 ASN ND2 N 15 114.094 0.300 . 1 . . . . 45 ASN ND2 . 11091 1 504 . 1 1 46 46 MET H H 1 8.887 0.030 . 1 . . . . 46 MET H . 11091 1 505 . 1 1 46 46 MET HA H 1 5.066 0.030 . 1 . . . . 46 MET HA . 11091 1 506 . 1 1 46 46 MET HB2 H 1 1.957 0.030 . 2 . . . . 46 MET HB2 . 11091 1 507 . 1 1 46 46 MET HB3 H 1 2.085 0.030 . 2 . . . . 46 MET HB3 . 11091 1 508 . 1 1 46 46 MET HE1 H 1 1.188 0.030 . 1 . . . . 46 MET HE . 11091 1 509 . 1 1 46 46 MET HE2 H 1 1.188 0.030 . 1 . . . . 46 MET HE . 11091 1 510 . 1 1 46 46 MET HE3 H 1 1.188 0.030 . 1 . . . . 46 MET HE . 11091 1 511 . 1 1 46 46 MET HG2 H 1 2.440 0.030 . 2 . . . . 46 MET HG2 . 11091 1 512 . 1 1 46 46 MET HG3 H 1 2.635 0.030 . 2 . . . . 46 MET HG3 . 11091 1 513 . 1 1 46 46 MET C C 13 176.584 0.300 . 1 . . . . 46 MET C . 11091 1 514 . 1 1 46 46 MET CA C 13 55.447 0.300 . 1 . . . . 46 MET CA . 11091 1 515 . 1 1 46 46 MET CB C 13 33.331 0.300 . 1 . . . . 46 MET CB . 11091 1 516 . 1 1 46 46 MET CE C 13 15.644 0.300 . 1 . . . . 46 MET CE . 11091 1 517 . 1 1 46 46 MET CG C 13 32.536 0.300 . 1 . . . . 46 MET CG . 11091 1 518 . 1 1 46 46 MET N N 15 122.585 0.300 . 1 . . . . 46 MET N . 11091 1 519 . 1 1 47 47 THR H H 1 8.689 0.030 . 1 . . . . 47 THR H . 11091 1 520 . 1 1 47 47 THR HA H 1 4.595 0.030 . 1 . . . . 47 THR HA . 11091 1 521 . 1 1 47 47 THR HB H 1 4.317 0.030 . 1 . . . . 47 THR HB . 11091 1 522 . 1 1 47 47 THR HG21 H 1 1.347 0.030 . 1 . . . . 47 THR HG2 . 11091 1 523 . 1 1 47 47 THR HG22 H 1 1.347 0.030 . 1 . . . . 47 THR HG2 . 11091 1 524 . 1 1 47 47 THR HG23 H 1 1.347 0.030 . 1 . . . . 47 THR HG2 . 11091 1 525 . 1 1 47 47 THR C C 13 172.529 0.300 . 1 . . . . 47 THR C . 11091 1 526 . 1 1 47 47 THR CA C 13 61.385 0.300 . 1 . . . . 47 THR CA . 11091 1 527 . 1 1 47 47 THR CB C 13 69.963 0.300 . 1 . . . . 47 THR CB . 11091 1 528 . 1 1 47 47 THR CG2 C 13 21.556 0.300 . 1 . . . . 47 THR CG2 . 11091 1 529 . 1 1 47 47 THR N N 15 124.197 0.300 . 1 . . . . 47 THR N . 11091 1 530 . 1 1 48 48 PRO HA H 1 4.827 0.030 . 1 . . . . 48 PRO HA . 11091 1 531 . 1 1 48 48 PRO HB2 H 1 1.980 0.030 . 2 . . . . 48 PRO HB2 . 11091 1 532 . 1 1 48 48 PRO HB3 H 1 2.501 0.030 . 2 . . . . 48 PRO HB3 . 11091 1 533 . 1 1 48 48 PRO HD2 H 1 3.801 0.030 . 2 . . . . 48 PRO HD2 . 11091 1 534 . 1 1 48 48 PRO HD3 H 1 4.106 0.030 . 2 . . . . 48 PRO HD3 . 11091 1 535 . 1 1 48 48 PRO HG2 H 1 2.107 0.030 . 2 . . . . 48 PRO HG2 . 11091 1 536 . 1 1 48 48 PRO HG3 H 1 2.220 0.030 . 2 . . . . 48 PRO HG3 . 11091 1 537 . 1 1 48 48 PRO CA C 13 61.759 0.300 . 1 . . . . 48 PRO CA . 11091 1 538 . 1 1 48 48 PRO CB C 13 31.301 0.300 . 1 . . . . 48 PRO CB . 11091 1 539 . 1 1 48 48 PRO CD C 13 51.400 0.300 . 1 . . . . 48 PRO CD . 11091 1 540 . 1 1 48 48 PRO CG C 13 27.712 0.300 . 1 . . . . 48 PRO CG . 11091 1 541 . 1 1 49 49 PRO HA H 1 4.726 0.030 . 1 . . . . 49 PRO HA . 11091 1 542 . 1 1 49 49 PRO HB2 H 1 1.956 0.030 . 2 . . . . 49 PRO HB2 . 11091 1 543 . 1 1 49 49 PRO HB3 H 1 2.524 0.030 . 2 . . . . 49 PRO HB3 . 11091 1 544 . 1 1 49 49 PRO HD2 H 1 3.823 0.030 . 2 . . . . 49 PRO HD2 . 11091 1 545 . 1 1 49 49 PRO HD3 H 1 4.053 0.030 . 2 . . . . 49 PRO HD3 . 11091 1 546 . 1 1 49 49 PRO HG2 H 1 2.254 0.030 . 1 . . . . 49 PRO HG2 . 11091 1 547 . 1 1 49 49 PRO HG3 H 1 2.254 0.030 . 1 . . . . 49 PRO HG3 . 11091 1 548 . 1 1 49 49 PRO C C 13 177.455 0.300 . 1 . . . . 49 PRO C . 11091 1 549 . 1 1 49 49 PRO CA C 13 62.731 0.300 . 1 . . . . 49 PRO CA . 11091 1 550 . 1 1 49 49 PRO CB C 13 33.078 0.300 . 1 . . . . 49 PRO CB . 11091 1 551 . 1 1 49 49 PRO CD C 13 50.959 0.300 . 1 . . . . 49 PRO CD . 11091 1 552 . 1 1 49 49 PRO CG C 13 27.657 0.300 . 1 . . . . 49 PRO CG . 11091 1 553 . 1 1 50 50 THR H H 1 8.947 0.030 . 1 . . . . 50 THR H . 11091 1 554 . 1 1 50 50 THR HA H 1 4.528 0.030 . 1 . . . . 50 THR HA . 11091 1 555 . 1 1 50 50 THR HB H 1 4.449 0.030 . 1 . . . . 50 THR HB . 11091 1 556 . 1 1 50 50 THR HG21 H 1 1.234 0.030 . 1 . . . . 50 THR HG2 . 11091 1 557 . 1 1 50 50 THR HG22 H 1 1.234 0.030 . 1 . . . . 50 THR HG2 . 11091 1 558 . 1 1 50 50 THR HG23 H 1 1.234 0.030 . 1 . . . . 50 THR HG2 . 11091 1 559 . 1 1 50 50 THR C C 13 174.787 0.300 . 1 . . . . 50 THR C . 11091 1 560 . 1 1 50 50 THR CA C 13 61.323 0.300 . 1 . . . . 50 THR CA . 11091 1 561 . 1 1 50 50 THR CB C 13 69.888 0.300 . 1 . . . . 50 THR CB . 11091 1 562 . 1 1 50 50 THR CG2 C 13 21.749 0.300 . 1 . . . . 50 THR CG2 . 11091 1 563 . 1 1 50 50 THR N N 15 110.882 0.300 . 1 . . . . 50 THR N . 11091 1 564 . 1 1 51 51 SER H H 1 7.881 0.030 . 1 . . . . 51 SER H . 11091 1 565 . 1 1 51 51 SER HA H 1 4.698 0.030 . 1 . . . . 51 SER HA . 11091 1 566 . 1 1 51 51 SER HB2 H 1 4.455 0.030 . 2 . . . . 51 SER HB2 . 11091 1 567 . 1 1 51 51 SER HB3 H 1 4.073 0.030 . 2 . . . . 51 SER HB3 . 11091 1 568 . 1 1 51 51 SER C C 13 174.656 0.300 . 1 . . . . 51 SER C . 11091 1 569 . 1 1 51 51 SER CA C 13 56.503 0.300 . 1 . . . . 51 SER CA . 11091 1 570 . 1 1 51 51 SER CB C 13 65.815 0.300 . 1 . . . . 51 SER CB . 11091 1 571 . 1 1 51 51 SER N N 15 117.852 0.300 . 1 . . . . 51 SER N . 11091 1 572 . 1 1 52 52 ALA H H 1 8.880 0.030 . 1 . . . . 52 ALA H . 11091 1 573 . 1 1 52 52 ALA HA H 1 4.132 0.030 . 1 . . . . 52 ALA HA . 11091 1 574 . 1 1 52 52 ALA HB1 H 1 1.431 0.030 . 1 . . . . 52 ALA HB . 11091 1 575 . 1 1 52 52 ALA HB2 H 1 1.431 0.030 . 1 . . . . 52 ALA HB . 11091 1 576 . 1 1 52 52 ALA HB3 H 1 1.431 0.030 . 1 . . . . 52 ALA HB . 11091 1 577 . 1 1 52 52 ALA C C 13 180.477 0.300 . 1 . . . . 52 ALA C . 11091 1 578 . 1 1 52 52 ALA CA C 13 55.209 0.300 . 1 . . . . 52 ALA CA . 11091 1 579 . 1 1 52 52 ALA CB C 13 18.004 0.300 . 1 . . . . 52 ALA CB . 11091 1 580 . 1 1 52 52 ALA N N 15 125.037 0.300 . 1 . . . . 52 ALA N . 11091 1 581 . 1 1 53 53 LEU H H 1 8.661 0.030 . 1 . . . . 53 LEU H . 11091 1 582 . 1 1 53 53 LEU HA H 1 4.305 0.030 . 1 . . . . 53 LEU HA . 11091 1 583 . 1 1 53 53 LEU HB2 H 1 1.867 0.030 . 2 . . . . 53 LEU HB2 . 11091 1 584 . 1 1 53 53 LEU HB3 H 1 1.463 0.030 . 2 . . . . 53 LEU HB3 . 11091 1 585 . 1 1 53 53 LEU HD11 H 1 0.693 0.030 . 1 . . . . 53 LEU HD1 . 11091 1 586 . 1 1 53 53 LEU HD12 H 1 0.693 0.030 . 1 . . . . 53 LEU HD1 . 11091 1 587 . 1 1 53 53 LEU HD13 H 1 0.693 0.030 . 1 . . . . 53 LEU HD1 . 11091 1 588 . 1 1 53 53 LEU HD21 H 1 0.781 0.030 . 1 . . . . 53 LEU HD2 . 11091 1 589 . 1 1 53 53 LEU HD22 H 1 0.781 0.030 . 1 . . . . 53 LEU HD2 . 11091 1 590 . 1 1 53 53 LEU HD23 H 1 0.781 0.030 . 1 . . . . 53 LEU HD2 . 11091 1 591 . 1 1 53 53 LEU HG H 1 1.740 0.030 . 1 . . . . 53 LEU HG . 11091 1 592 . 1 1 53 53 LEU C C 13 180.914 0.300 . 1 . . . . 53 LEU C . 11091 1 593 . 1 1 53 53 LEU CA C 13 55.694 0.300 . 1 . . . . 53 LEU CA . 11091 1 594 . 1 1 53 53 LEU CB C 13 40.815 0.300 . 1 . . . . 53 LEU CB . 11091 1 595 . 1 1 53 53 LEU CD1 C 13 24.169 0.300 . 2 . . . . 53 LEU CD1 . 11091 1 596 . 1 1 53 53 LEU CD2 C 13 23.751 0.300 . 2 . . . . 53 LEU CD2 . 11091 1 597 . 1 1 53 53 LEU CG C 13 28.315 0.300 . 1 . . . . 53 LEU CG . 11091 1 598 . 1 1 53 53 LEU N N 15 118.971 0.300 . 1 . . . . 53 LEU N . 11091 1 599 . 1 1 54 54 GLY H H 1 8.354 0.030 . 1 . . . . 54 GLY H . 11091 1 600 . 1 1 54 54 GLY HA2 H 1 3.953 0.030 . 2 . . . . 54 GLY HA2 . 11091 1 601 . 1 1 54 54 GLY HA3 H 1 3.991 0.030 . 2 . . . . 54 GLY HA3 . 11091 1 602 . 1 1 54 54 GLY C C 13 175.609 0.300 . 1 . . . . 54 GLY C . 11091 1 603 . 1 1 54 54 GLY CA C 13 47.988 0.300 . 1 . . . . 54 GLY CA . 11091 1 604 . 1 1 54 54 GLY N N 15 109.417 0.300 . 1 . . . . 54 GLY N . 11091 1 605 . 1 1 55 55 ALA H H 1 7.653 0.030 . 1 . . . . 55 ALA H . 11091 1 606 . 1 1 55 55 ALA HA H 1 4.516 0.030 . 1 . . . . 55 ALA HA . 11091 1 607 . 1 1 55 55 ALA HB1 H 1 1.589 0.030 . 1 . . . . 55 ALA HB . 11091 1 608 . 1 1 55 55 ALA HB2 H 1 1.589 0.030 . 1 . . . . 55 ALA HB . 11091 1 609 . 1 1 55 55 ALA HB3 H 1 1.589 0.030 . 1 . . . . 55 ALA HB . 11091 1 610 . 1 1 55 55 ALA C C 13 178.433 0.300 . 1 . . . . 55 ALA C . 11091 1 611 . 1 1 55 55 ALA CA C 13 53.336 0.300 . 1 . . . . 55 ALA CA . 11091 1 612 . 1 1 55 55 ALA CB C 13 18.408 0.300 . 1 . . . . 55 ALA CB . 11091 1 613 . 1 1 55 55 ALA N N 15 119.322 0.300 . 1 . . . . 55 ALA N . 11091 1 614 . 1 1 56 56 CYS H H 1 7.995 0.030 . 1 . . . . 56 CYS H . 11091 1 615 . 1 1 56 56 CYS HA H 1 4.291 0.030 . 1 . . . . 56 CYS HA . 11091 1 616 . 1 1 56 56 CYS HB2 H 1 3.226 0.030 . 2 . . . . 56 CYS HB2 . 11091 1 617 . 1 1 56 56 CYS HB3 H 1 3.034 0.030 . 2 . . . . 56 CYS HB3 . 11091 1 618 . 1 1 56 56 CYS C C 13 173.237 0.300 . 1 . . . . 56 CYS C . 11091 1 619 . 1 1 56 56 CYS CA C 13 61.354 0.300 . 1 . . . . 56 CYS CA . 11091 1 620 . 1 1 56 56 CYS CB C 13 28.365 0.300 . 1 . . . . 56 CYS CB . 11091 1 621 . 1 1 56 56 CYS N N 15 116.374 0.300 . 1 . . . . 56 CYS N . 11091 1 622 . 1 1 57 57 PHE H H 1 7.671 0.030 . 1 . . . . 57 PHE H . 11091 1 623 . 1 1 57 57 PHE HA H 1 5.309 0.030 . 1 . . . . 57 PHE HA . 11091 1 624 . 1 1 57 57 PHE HB2 H 1 3.233 0.030 . 2 . . . . 57 PHE HB2 . 11091 1 625 . 1 1 57 57 PHE HB3 H 1 2.212 0.030 . 2 . . . . 57 PHE HB3 . 11091 1 626 . 1 1 57 57 PHE HD1 H 1 7.253 0.030 . 1 . . . . 57 PHE HD1 . 11091 1 627 . 1 1 57 57 PHE HD2 H 1 7.253 0.030 . 1 . . . . 57 PHE HD2 . 11091 1 628 . 1 1 57 57 PHE HE1 H 1 6.575 0.030 . 1 . . . . 57 PHE HE1 . 11091 1 629 . 1 1 57 57 PHE HE2 H 1 6.575 0.030 . 1 . . . . 57 PHE HE2 . 11091 1 630 . 1 1 57 57 PHE HZ H 1 6.421 0.030 . 1 . . . . 57 PHE HZ . 11091 1 631 . 1 1 57 57 PHE C C 13 175.250 0.300 . 1 . . . . 57 PHE C . 11091 1 632 . 1 1 57 57 PHE CA C 13 57.267 0.300 . 1 . . . . 57 PHE CA . 11091 1 633 . 1 1 57 57 PHE CB C 13 41.863 0.300 . 1 . . . . 57 PHE CB . 11091 1 634 . 1 1 57 57 PHE CD1 C 13 132.714 0.300 . 1 . . . . 57 PHE CD1 . 11091 1 635 . 1 1 57 57 PHE CD2 C 13 132.714 0.300 . 1 . . . . 57 PHE CD2 . 11091 1 636 . 1 1 57 57 PHE CE1 C 13 130.513 0.300 . 1 . . . . 57 PHE CE1 . 11091 1 637 . 1 1 57 57 PHE CE2 C 13 130.513 0.300 . 1 . . . . 57 PHE CE2 . 11091 1 638 . 1 1 57 57 PHE CZ C 13 130.320 0.300 . 1 . . . . 57 PHE CZ . 11091 1 639 . 1 1 57 57 PHE N N 15 118.568 0.300 . 1 . . . . 57 PHE N . 11091 1 640 . 1 1 58 58 VAL H H 1 8.806 0.030 . 1 . . . . 58 VAL H . 11091 1 641 . 1 1 58 58 VAL HA H 1 4.351 0.030 . 1 . . . . 58 VAL HA . 11091 1 642 . 1 1 58 58 VAL HB H 1 1.896 0.030 . 1 . . . . 58 VAL HB . 11091 1 643 . 1 1 58 58 VAL HG11 H 1 0.913 0.030 . 1 . . . . 58 VAL HG1 . 11091 1 644 . 1 1 58 58 VAL HG12 H 1 0.913 0.030 . 1 . . . . 58 VAL HG1 . 11091 1 645 . 1 1 58 58 VAL HG13 H 1 0.913 0.030 . 1 . . . . 58 VAL HG1 . 11091 1 646 . 1 1 58 58 VAL HG21 H 1 0.913 0.030 . 1 . . . . 58 VAL HG2 . 11091 1 647 . 1 1 58 58 VAL HG22 H 1 0.913 0.030 . 1 . . . . 58 VAL HG2 . 11091 1 648 . 1 1 58 58 VAL HG23 H 1 0.913 0.030 . 1 . . . . 58 VAL HG2 . 11091 1 649 . 1 1 58 58 VAL C C 13 175.001 0.300 . 1 . . . . 58 VAL C . 11091 1 650 . 1 1 58 58 VAL CA C 13 61.746 0.300 . 1 . . . . 58 VAL CA . 11091 1 651 . 1 1 58 58 VAL CB C 13 34.400 0.300 . 1 . . . . 58 VAL CB . 11091 1 652 . 1 1 58 58 VAL CG1 C 13 21.054 0.300 . 2 . . . . 58 VAL CG1 . 11091 1 653 . 1 1 58 58 VAL CG2 C 13 21.243 0.300 . 2 . . . . 58 VAL CG2 . 11091 1 654 . 1 1 58 58 VAL N N 15 121.940 0.300 . 1 . . . . 58 VAL N . 11091 1 655 . 1 1 59 59 PHE H H 1 8.920 0.030 . 1 . . . . 59 PHE H . 11091 1 656 . 1 1 59 59 PHE HA H 1 5.096 0.030 . 1 . . . . 59 PHE HA . 11091 1 657 . 1 1 59 59 PHE HB2 H 1 2.920 0.030 . 2 . . . . 59 PHE HB2 . 11091 1 658 . 1 1 59 59 PHE HB3 H 1 2.718 0.030 . 2 . . . . 59 PHE HB3 . 11091 1 659 . 1 1 59 59 PHE HD1 H 1 7.035 0.030 . 1 . . . . 59 PHE HD1 . 11091 1 660 . 1 1 59 59 PHE HD2 H 1 7.035 0.030 . 1 . . . . 59 PHE HD2 . 11091 1 661 . 1 1 59 59 PHE HE1 H 1 6.547 0.030 . 1 . . . . 59 PHE HE1 . 11091 1 662 . 1 1 59 59 PHE HE2 H 1 6.547 0.030 . 1 . . . . 59 PHE HE2 . 11091 1 663 . 1 1 59 59 PHE HZ H 1 5.423 0.030 . 1 . . . . 59 PHE HZ . 11091 1 664 . 1 1 59 59 PHE C C 13 175.406 0.300 . 1 . . . . 59 PHE C . 11091 1 665 . 1 1 59 59 PHE CA C 13 56.855 0.300 . 1 . . . . 59 PHE CA . 11091 1 666 . 1 1 59 59 PHE CB C 13 41.046 0.300 . 1 . . . . 59 PHE CB . 11091 1 667 . 1 1 59 59 PHE CD1 C 13 131.645 0.300 . 1 . . . . 59 PHE CD1 . 11091 1 668 . 1 1 59 59 PHE CD2 C 13 131.645 0.300 . 1 . . . . 59 PHE CD2 . 11091 1 669 . 1 1 59 59 PHE CE1 C 13 130.702 0.300 . 1 . . . . 59 PHE CE1 . 11091 1 670 . 1 1 59 59 PHE CE2 C 13 130.702 0.300 . 1 . . . . 59 PHE CE2 . 11091 1 671 . 1 1 59 59 PHE CZ C 13 128.829 0.300 . 1 . . . . 59 PHE CZ . 11091 1 672 . 1 1 59 59 PHE N N 15 128.329 0.300 . 1 . . . . 59 PHE N . 11091 1 673 . 1 1 60 60 SER H H 1 8.922 0.030 . 1 . . . . 60 SER H . 11091 1 674 . 1 1 60 60 SER HA H 1 4.985 0.030 . 1 . . . . 60 SER HA . 11091 1 675 . 1 1 60 60 SER HB2 H 1 3.854 0.030 . 2 . . . . 60 SER HB2 . 11091 1 676 . 1 1 60 60 SER HB3 H 1 3.720 0.030 . 2 . . . . 60 SER HB3 . 11091 1 677 . 1 1 60 60 SER C C 13 172.457 0.300 . 1 . . . . 60 SER C . 11091 1 678 . 1 1 60 60 SER CA C 13 54.427 0.300 . 1 . . . . 60 SER CA . 11091 1 679 . 1 1 60 60 SER CB C 13 65.144 0.300 . 1 . . . . 60 SER CB . 11091 1 680 . 1 1 60 60 SER N N 15 115.887 0.300 . 1 . . . . 60 SER N . 11091 1 681 . 1 1 61 61 PRO HA H 1 5.038 0.030 . 1 . . . . 61 PRO HA . 11091 1 682 . 1 1 61 61 PRO HB2 H 1 2.495 0.030 . 2 . . . . 61 PRO HB2 . 11091 1 683 . 1 1 61 61 PRO HB3 H 1 2.596 0.030 . 2 . . . . 61 PRO HB3 . 11091 1 684 . 1 1 61 61 PRO HD2 H 1 4.233 0.030 . 2 . . . . 61 PRO HD2 . 11091 1 685 . 1 1 61 61 PRO HD3 H 1 3.664 0.030 . 2 . . . . 61 PRO HD3 . 11091 1 686 . 1 1 61 61 PRO HG2 H 1 1.913 0.030 . 2 . . . . 61 PRO HG2 . 11091 1 687 . 1 1 61 61 PRO HG3 H 1 2.122 0.030 . 2 . . . . 61 PRO HG3 . 11091 1 688 . 1 1 61 61 PRO C C 13 174.040 0.300 . 1 . . . . 61 PRO C . 11091 1 689 . 1 1 61 61 PRO CA C 13 63.575 0.300 . 1 . . . . 61 PRO CA . 11091 1 690 . 1 1 61 61 PRO CB C 13 34.812 0.300 . 1 . . . . 61 PRO CB . 11091 1 691 . 1 1 61 61 PRO CD C 13 50.321 0.300 . 1 . . . . 61 PRO CD . 11091 1 692 . 1 1 61 61 PRO CG C 13 24.877 0.300 . 1 . . . . 61 PRO CG . 11091 1 693 . 1 1 62 62 LYS H H 1 8.491 0.030 . 1 . . . . 62 LYS H . 11091 1 694 . 1 1 62 62 LYS HA H 1 4.571 0.030 . 1 . . . . 62 LYS HA . 11091 1 695 . 1 1 62 62 LYS HB2 H 1 2.073 0.030 . 1 . . . . 62 LYS HB2 . 11091 1 696 . 1 1 62 62 LYS HB3 H 1 2.073 0.030 . 1 . . . . 62 LYS HB3 . 11091 1 697 . 1 1 62 62 LYS HD2 H 1 1.904 0.030 . 2 . . . . 62 LYS HD2 . 11091 1 698 . 1 1 62 62 LYS HD3 H 1 1.851 0.030 . 2 . . . . 62 LYS HD3 . 11091 1 699 . 1 1 62 62 LYS HE2 H 1 3.159 0.030 . 1 . . . . 62 LYS HE2 . 11091 1 700 . 1 1 62 62 LYS HE3 H 1 3.159 0.030 . 1 . . . . 62 LYS HE3 . 11091 1 701 . 1 1 62 62 LYS HG2 H 1 1.651 0.030 . 2 . . . . 62 LYS HG2 . 11091 1 702 . 1 1 62 62 LYS HG3 H 1 1.475 0.030 . 2 . . . . 62 LYS HG3 . 11091 1 703 . 1 1 62 62 LYS C C 13 174.693 0.300 . 1 . . . . 62 LYS C . 11091 1 704 . 1 1 62 62 LYS CA C 13 55.694 0.300 . 1 . . . . 62 LYS CA . 11091 1 705 . 1 1 62 62 LYS CB C 13 33.414 0.300 . 1 . . . . 62 LYS CB . 11091 1 706 . 1 1 62 62 LYS CD C 13 29.858 0.300 . 1 . . . . 62 LYS CD . 11091 1 707 . 1 1 62 62 LYS CE C 13 42.377 0.300 . 1 . . . . 62 LYS CE . 11091 1 708 . 1 1 62 62 LYS CG C 13 24.368 0.300 . 1 . . . . 62 LYS CG . 11091 1 709 . 1 1 62 62 LYS N N 15 112.856 0.300 . 1 . . . . 62 LYS N . 11091 1 710 . 1 1 63 63 GLU H H 1 7.475 0.030 . 1 . . . . 63 GLU H . 11091 1 711 . 1 1 63 63 GLU HA H 1 4.286 0.030 . 1 . . . . 63 GLU HA . 11091 1 712 . 1 1 63 63 GLU HB2 H 1 1.960 0.030 . 2 . . . . 63 GLU HB2 . 11091 1 713 . 1 1 63 63 GLU HB3 H 1 2.068 0.030 . 2 . . . . 63 GLU HB3 . 11091 1 714 . 1 1 63 63 GLU HG2 H 1 2.015 0.030 . 1 . . . . 63 GLU HG2 . 11091 1 715 . 1 1 63 63 GLU HG3 H 1 2.015 0.030 . 1 . . . . 63 GLU HG3 . 11091 1 716 . 1 1 63 63 GLU C C 13 173.884 0.300 . 1 . . . . 63 GLU C . 11091 1 717 . 1 1 63 63 GLU CA C 13 53.899 0.300 . 1 . . . . 63 GLU CA . 11091 1 718 . 1 1 63 63 GLU CB C 13 32.062 0.300 . 1 . . . . 63 GLU CB . 11091 1 719 . 1 1 63 63 GLU CG C 13 34.483 0.300 . 1 . . . . 63 GLU CG . 11091 1 720 . 1 1 63 63 GLU N N 15 115.233 0.300 . 1 . . . . 63 GLU N . 11091 1 721 . 1 1 64 64 GLY H H 1 6.899 0.030 . 1 . . . . 64 GLY H . 11091 1 722 . 1 1 64 64 GLY HA2 H 1 3.717 0.030 . 2 . . . . 64 GLY HA2 . 11091 1 723 . 1 1 64 64 GLY HA3 H 1 3.813 0.030 . 2 . . . . 64 GLY HA3 . 11091 1 724 . 1 1 64 64 GLY C C 13 170.466 0.300 . 1 . . . . 64 GLY C . 11091 1 725 . 1 1 64 64 GLY CA C 13 45.701 0.300 . 1 . . . . 64 GLY CA . 11091 1 726 . 1 1 64 64 GLY N N 15 105.850 0.300 . 1 . . . . 64 GLY N . 11091 1 727 . 1 1 65 65 ILE H H 1 8.281 0.030 . 1 . . . . 65 ILE H . 11091 1 728 . 1 1 65 65 ILE HA H 1 5.193 0.030 . 1 . . . . 65 ILE HA . 11091 1 729 . 1 1 65 65 ILE HB H 1 1.623 0.030 . 1 . . . . 65 ILE HB . 11091 1 730 . 1 1 65 65 ILE HD11 H 1 0.808 0.030 . 1 . . . . 65 ILE HD1 . 11091 1 731 . 1 1 65 65 ILE HD12 H 1 0.808 0.030 . 1 . . . . 65 ILE HD1 . 11091 1 732 . 1 1 65 65 ILE HD13 H 1 0.808 0.030 . 1 . . . . 65 ILE HD1 . 11091 1 733 . 1 1 65 65 ILE HG12 H 1 1.427 0.030 . 2 . . . . 65 ILE HG12 . 11091 1 734 . 1 1 65 65 ILE HG13 H 1 0.905 0.030 . 2 . . . . 65 ILE HG13 . 11091 1 735 . 1 1 65 65 ILE HG21 H 1 0.739 0.030 . 1 . . . . 65 ILE HG2 . 11091 1 736 . 1 1 65 65 ILE HG22 H 1 0.739 0.030 . 1 . . . . 65 ILE HG2 . 11091 1 737 . 1 1 65 65 ILE HG23 H 1 0.739 0.030 . 1 . . . . 65 ILE HG2 . 11091 1 738 . 1 1 65 65 ILE C C 13 175.436 0.300 . 1 . . . . 65 ILE C . 11091 1 739 . 1 1 65 65 ILE CA C 13 59.740 0.300 . 1 . . . . 65 ILE CA . 11091 1 740 . 1 1 65 65 ILE CB C 13 41.308 0.300 . 1 . . . . 65 ILE CB . 11091 1 741 . 1 1 65 65 ILE CD1 C 13 13.744 0.300 . 1 . . . . 65 ILE CD1 . 11091 1 742 . 1 1 65 65 ILE CG1 C 13 28.233 0.300 . 1 . . . . 65 ILE CG1 . 11091 1 743 . 1 1 65 65 ILE CG2 C 13 16.604 0.300 . 1 . . . . 65 ILE CG2 . 11091 1 744 . 1 1 65 65 ILE N N 15 120.308 0.300 . 1 . . . . 65 ILE N . 11091 1 745 . 1 1 66 66 ILE H H 1 9.268 0.030 . 1 . . . . 66 ILE H . 11091 1 746 . 1 1 66 66 ILE HA H 1 4.477 0.030 . 1 . . . . 66 ILE HA . 11091 1 747 . 1 1 66 66 ILE HB H 1 1.548 0.030 . 1 . . . . 66 ILE HB . 11091 1 748 . 1 1 66 66 ILE HD11 H 1 0.294 0.030 . 1 . . . . 66 ILE HD1 . 11091 1 749 . 1 1 66 66 ILE HD12 H 1 0.294 0.030 . 1 . . . . 66 ILE HD1 . 11091 1 750 . 1 1 66 66 ILE HD13 H 1 0.294 0.030 . 1 . . . . 66 ILE HD1 . 11091 1 751 . 1 1 66 66 ILE HG12 H 1 0.847 0.030 . 2 . . . . 66 ILE HG12 . 11091 1 752 . 1 1 66 66 ILE HG13 H 1 1.753 0.030 . 2 . . . . 66 ILE HG13 . 11091 1 753 . 1 1 66 66 ILE HG21 H 1 0.900 0.030 . 1 . . . . 66 ILE HG2 . 11091 1 754 . 1 1 66 66 ILE HG22 H 1 0.900 0.030 . 1 . . . . 66 ILE HG2 . 11091 1 755 . 1 1 66 66 ILE HG23 H 1 0.900 0.030 . 1 . . . . 66 ILE HG2 . 11091 1 756 . 1 1 66 66 ILE C C 13 176.404 0.300 . 1 . . . . 66 ILE C . 11091 1 757 . 1 1 66 66 ILE CA C 13 60.162 0.300 . 1 . . . . 66 ILE CA . 11091 1 758 . 1 1 66 66 ILE CB C 13 40.321 0.300 . 1 . . . . 66 ILE CB . 11091 1 759 . 1 1 66 66 ILE CD1 C 13 14.564 0.300 . 1 . . . . 66 ILE CD1 . 11091 1 760 . 1 1 66 66 ILE CG1 C 13 26.909 0.300 . 1 . . . . 66 ILE CG1 . 11091 1 761 . 1 1 66 66 ILE CG2 C 13 18.330 0.300 . 1 . . . . 66 ILE CG2 . 11091 1 762 . 1 1 66 66 ILE N N 15 126.285 0.300 . 1 . . . . 66 ILE N . 11091 1 763 . 1 1 67 67 GLU H H 1 9.375 0.030 . 1 . . . . 67 GLU H . 11091 1 764 . 1 1 67 67 GLU HA H 1 4.802 0.030 . 1 . . . . 67 GLU HA . 11091 1 765 . 1 1 67 67 GLU HB2 H 1 2.061 0.030 . 2 . . . . 67 GLU HB2 . 11091 1 766 . 1 1 67 67 GLU HB3 H 1 1.980 0.030 . 2 . . . . 67 GLU HB3 . 11091 1 767 . 1 1 67 67 GLU HG2 H 1 2.297 0.030 . 1 . . . . 67 GLU HG2 . 11091 1 768 . 1 1 67 67 GLU HG3 H 1 2.297 0.030 . 1 . . . . 67 GLU HG3 . 11091 1 769 . 1 1 67 67 GLU C C 13 173.692 0.300 . 1 . . . . 67 GLU C . 11091 1 770 . 1 1 67 67 GLU CA C 13 55.870 0.300 . 1 . . . . 67 GLU CA . 11091 1 771 . 1 1 67 67 GLU CB C 13 27.739 0.300 . 1 . . . . 67 GLU CB . 11091 1 772 . 1 1 67 67 GLU CG C 13 35.994 0.300 . 1 . . . . 67 GLU CG . 11091 1 773 . 1 1 67 67 GLU N N 15 131.512 0.300 . 1 . . . . 67 GLU N . 11091 1 774 . 1 1 68 68 PRO HA H 1 3.877 0.030 . 1 . . . . 68 PRO HA . 11091 1 775 . 1 1 68 68 PRO HB2 H 1 1.778 0.030 . 2 . . . . 68 PRO HB2 . 11091 1 776 . 1 1 68 68 PRO HB3 H 1 2.199 0.030 . 2 . . . . 68 PRO HB3 . 11091 1 777 . 1 1 68 68 PRO HD2 H 1 3.486 0.030 . 2 . . . . 68 PRO HD2 . 11091 1 778 . 1 1 68 68 PRO HD3 H 1 4.083 0.030 . 2 . . . . 68 PRO HD3 . 11091 1 779 . 1 1 68 68 PRO HG2 H 1 1.968 0.030 . 2 . . . . 68 PRO HG2 . 11091 1 780 . 1 1 68 68 PRO HG3 H 1 1.228 0.030 . 2 . . . . 68 PRO HG3 . 11091 1 781 . 1 1 68 68 PRO C C 13 177.888 0.300 . 1 . . . . 68 PRO C . 11091 1 782 . 1 1 68 68 PRO CA C 13 64.490 0.300 . 1 . . . . 68 PRO CA . 11091 1 783 . 1 1 68 68 PRO CB C 13 32.180 0.300 . 1 . . . . 68 PRO CB . 11091 1 784 . 1 1 68 68 PRO CD C 13 50.315 0.300 . 1 . . . . 68 PRO CD . 11091 1 785 . 1 1 68 68 PRO CG C 13 27.904 0.300 . 1 . . . . 68 PRO CG . 11091 1 786 . 1 1 69 69 SER H H 1 8.020 0.030 . 1 . . . . 69 SER H . 11091 1 787 . 1 1 69 69 SER HA H 1 4.266 0.030 . 1 . . . . 69 SER HA . 11091 1 788 . 1 1 69 69 SER HB2 H 1 4.144 0.030 . 1 . . . . 69 SER HB2 . 11091 1 789 . 1 1 69 69 SER HB3 H 1 4.144 0.030 . 1 . . . . 69 SER HB3 . 11091 1 790 . 1 1 69 69 SER C C 13 173.661 0.300 . 1 . . . . 69 SER C . 11091 1 791 . 1 1 69 69 SER CA C 13 61.007 0.300 . 1 . . . . 69 SER CA . 11091 1 792 . 1 1 69 69 SER CB C 13 62.113 0.300 . 1 . . . . 69 SER CB . 11091 1 793 . 1 1 69 69 SER N N 15 116.951 0.300 . 1 . . . . 69 SER N . 11091 1 794 . 1 1 70 70 GLY H H 1 8.469 0.030 . 1 . . . . 70 GLY H . 11091 1 795 . 1 1 70 70 GLY HA2 H 1 3.663 0.030 . 2 . . . . 70 GLY HA2 . 11091 1 796 . 1 1 70 70 GLY HA3 H 1 4.406 0.030 . 2 . . . . 70 GLY HA3 . 11091 1 797 . 1 1 70 70 GLY C C 13 172.808 0.300 . 1 . . . . 70 GLY C . 11091 1 798 . 1 1 70 70 GLY CA C 13 44.047 0.300 . 1 . . . . 70 GLY CA . 11091 1 799 . 1 1 70 70 GLY N N 15 109.071 0.300 . 1 . . . . 70 GLY N . 11091 1 800 . 1 1 71 71 VAL H H 1 8.177 0.030 . 1 . . . . 71 VAL H . 11091 1 801 . 1 1 71 71 VAL HA H 1 4.857 0.030 . 1 . . . . 71 VAL HA . 11091 1 802 . 1 1 71 71 VAL HB H 1 1.662 0.030 . 1 . . . . 71 VAL HB . 11091 1 803 . 1 1 71 71 VAL HG11 H 1 0.595 0.030 . 1 . . . . 71 VAL HG1 . 11091 1 804 . 1 1 71 71 VAL HG12 H 1 0.595 0.030 . 1 . . . . 71 VAL HG1 . 11091 1 805 . 1 1 71 71 VAL HG13 H 1 0.595 0.030 . 1 . . . . 71 VAL HG1 . 11091 1 806 . 1 1 71 71 VAL HG21 H 1 0.691 0.030 . 1 . . . . 71 VAL HG2 . 11091 1 807 . 1 1 71 71 VAL HG22 H 1 0.691 0.030 . 1 . . . . 71 VAL HG2 . 11091 1 808 . 1 1 71 71 VAL HG23 H 1 0.691 0.030 . 1 . . . . 71 VAL HG2 . 11091 1 809 . 1 1 71 71 VAL C C 13 175.178 0.300 . 1 . . . . 71 VAL C . 11091 1 810 . 1 1 71 71 VAL CA C 13 59.353 0.300 . 1 . . . . 71 VAL CA . 11091 1 811 . 1 1 71 71 VAL CB C 13 35.798 0.300 . 1 . . . . 71 VAL CB . 11091 1 812 . 1 1 71 71 VAL CG1 C 13 22.016 0.300 . 2 . . . . 71 VAL CG1 . 11091 1 813 . 1 1 71 71 VAL CG2 C 13 19.530 0.300 . 2 . . . . 71 VAL CG2 . 11091 1 814 . 1 1 71 71 VAL N N 15 114.018 0.300 . 1 . . . . 71 VAL N . 11091 1 815 . 1 1 72 72 GLN H H 1 8.833 0.030 . 1 . . . . 72 GLN H . 11091 1 816 . 1 1 72 72 GLN HA H 1 4.440 0.030 . 1 . . . . 72 GLN HA . 11091 1 817 . 1 1 72 72 GLN HB2 H 1 1.987 0.030 . 2 . . . . 72 GLN HB2 . 11091 1 818 . 1 1 72 72 GLN HB3 H 1 1.602 0.030 . 2 . . . . 72 GLN HB3 . 11091 1 819 . 1 1 72 72 GLN HE21 H 1 7.284 0.030 . 2 . . . . 72 GLN HE21 . 11091 1 820 . 1 1 72 72 GLN HE22 H 1 8.332 0.030 . 2 . . . . 72 GLN HE22 . 11091 1 821 . 1 1 72 72 GLN HG2 H 1 2.079 0.030 . 2 . . . . 72 GLN HG2 . 11091 1 822 . 1 1 72 72 GLN HG3 H 1 1.840 0.030 . 2 . . . . 72 GLN HG3 . 11091 1 823 . 1 1 72 72 GLN C C 13 173.603 0.300 . 1 . . . . 72 GLN C . 11091 1 824 . 1 1 72 72 GLN CA C 13 54.005 0.300 . 1 . . . . 72 GLN CA . 11091 1 825 . 1 1 72 72 GLN CB C 13 32.009 0.300 . 1 . . . . 72 GLN CB . 11091 1 826 . 1 1 72 72 GLN CG C 13 34.189 0.300 . 1 . . . . 72 GLN CG . 11091 1 827 . 1 1 72 72 GLN N N 15 122.949 0.300 . 1 . . . . 72 GLN N . 11091 1 828 . 1 1 72 72 GLN NE2 N 15 116.991 0.300 . 1 . . . . 72 GLN NE2 . 11091 1 829 . 1 1 73 73 ALA H H 1 9.037 0.030 . 1 . . . . 73 ALA H . 11091 1 830 . 1 1 73 73 ALA HA H 1 4.669 0.030 . 1 . . . . 73 ALA HA . 11091 1 831 . 1 1 73 73 ALA HB1 H 1 1.303 0.030 . 1 . . . . 73 ALA HB . 11091 1 832 . 1 1 73 73 ALA HB2 H 1 1.303 0.030 . 1 . . . . 73 ALA HB . 11091 1 833 . 1 1 73 73 ALA HB3 H 1 1.303 0.030 . 1 . . . . 73 ALA HB . 11091 1 834 . 1 1 73 73 ALA C C 13 177.628 0.300 . 1 . . . . 73 ALA C . 11091 1 835 . 1 1 73 73 ALA CA C 13 52.457 0.300 . 1 . . . . 73 ALA CA . 11091 1 836 . 1 1 73 73 ALA CB C 13 18.724 0.300 . 1 . . . . 73 ALA CB . 11091 1 837 . 1 1 73 73 ALA N N 15 131.228 0.300 . 1 . . . . 73 ALA N . 11091 1 838 . 1 1 74 74 ILE H H 1 9.579 0.030 . 1 . . . . 74 ILE H . 11091 1 839 . 1 1 74 74 ILE HA H 1 4.648 0.030 . 1 . . . . 74 ILE HA . 11091 1 840 . 1 1 74 74 ILE HB H 1 1.932 0.030 . 1 . . . . 74 ILE HB . 11091 1 841 . 1 1 74 74 ILE HD11 H 1 0.659 0.030 . 1 . . . . 74 ILE HD1 . 11091 1 842 . 1 1 74 74 ILE HD12 H 1 0.659 0.030 . 1 . . . . 74 ILE HD1 . 11091 1 843 . 1 1 74 74 ILE HD13 H 1 0.659 0.030 . 1 . . . . 74 ILE HD1 . 11091 1 844 . 1 1 74 74 ILE HG12 H 1 1.324 0.030 . 1 . . . . 74 ILE HG12 . 11091 1 845 . 1 1 74 74 ILE HG13 H 1 1.324 0.030 . 1 . . . . 74 ILE HG13 . 11091 1 846 . 1 1 74 74 ILE HG21 H 1 0.996 0.030 . 1 . . . . 74 ILE HG2 . 11091 1 847 . 1 1 74 74 ILE HG22 H 1 0.996 0.030 . 1 . . . . 74 ILE HG2 . 11091 1 848 . 1 1 74 74 ILE HG23 H 1 0.996 0.030 . 1 . . . . 74 ILE HG2 . 11091 1 849 . 1 1 74 74 ILE C C 13 175.073 0.300 . 1 . . . . 74 ILE C . 11091 1 850 . 1 1 74 74 ILE CA C 13 59.670 0.300 . 1 . . . . 74 ILE CA . 11091 1 851 . 1 1 74 74 ILE CB C 13 39.797 0.300 . 1 . . . . 74 ILE CB . 11091 1 852 . 1 1 74 74 ILE CD1 C 13 11.883 0.300 . 1 . . . . 74 ILE CD1 . 11091 1 853 . 1 1 74 74 ILE CG1 C 13 27.082 0.300 . 1 . . . . 74 ILE CG1 . 11091 1 854 . 1 1 74 74 ILE CG2 C 13 17.628 0.300 . 1 . . . . 74 ILE CG2 . 11091 1 855 . 1 1 74 74 ILE N N 15 127.059 0.300 . 1 . . . . 74 ILE N . 11091 1 856 . 1 1 75 75 GLN H H 1 9.080 0.030 . 1 . . . . 75 GLN H . 11091 1 857 . 1 1 75 75 GLN HA H 1 4.732 0.030 . 1 . . . . 75 GLN HA . 11091 1 858 . 1 1 75 75 GLN HB2 H 1 2.156 0.030 . 1 . . . . 75 GLN HB2 . 11091 1 859 . 1 1 75 75 GLN HB3 H 1 2.156 0.030 . 1 . . . . 75 GLN HB3 . 11091 1 860 . 1 1 75 75 GLN HE21 H 1 7.427 0.030 . 2 . . . . 75 GLN HE21 . 11091 1 861 . 1 1 75 75 GLN HE22 H 1 7.190 0.030 . 2 . . . . 75 GLN HE22 . 11091 1 862 . 1 1 75 75 GLN HG2 H 1 2.436 0.030 . 2 . . . . 75 GLN HG2 . 11091 1 863 . 1 1 75 75 GLN HG3 H 1 2.379 0.030 . 2 . . . . 75 GLN HG3 . 11091 1 864 . 1 1 75 75 GLN C C 13 175.513 0.300 . 1 . . . . 75 GLN C . 11091 1 865 . 1 1 75 75 GLN CA C 13 55.271 0.300 . 1 . . . . 75 GLN CA . 11091 1 866 . 1 1 75 75 GLN CB C 13 29.877 0.300 . 1 . . . . 75 GLN CB . 11091 1 867 . 1 1 75 75 GLN CG C 13 34.285 0.300 . 1 . . . . 75 GLN CG . 11091 1 868 . 1 1 75 75 GLN N N 15 126.071 0.300 . 1 . . . . 75 GLN N . 11091 1 869 . 1 1 75 75 GLN NE2 N 15 112.684 0.300 . 1 . . . . 75 GLN NE2 . 11091 1 870 . 1 1 76 76 ILE H H 1 8.997 0.030 . 1 . . . . 76 ILE H . 11091 1 871 . 1 1 76 76 ILE HA H 1 4.538 0.030 . 1 . . . . 76 ILE HA . 11091 1 872 . 1 1 76 76 ILE HB H 1 1.616 0.030 . 1 . . . . 76 ILE HB . 11091 1 873 . 1 1 76 76 ILE HD11 H 1 0.492 0.030 . 1 . . . . 76 ILE HD1 . 11091 1 874 . 1 1 76 76 ILE HD12 H 1 0.492 0.030 . 1 . . . . 76 ILE HD1 . 11091 1 875 . 1 1 76 76 ILE HD13 H 1 0.492 0.030 . 1 . . . . 76 ILE HD1 . 11091 1 876 . 1 1 76 76 ILE HG12 H 1 0.405 0.030 . 2 . . . . 76 ILE HG12 . 11091 1 877 . 1 1 76 76 ILE HG13 H 1 1.512 0.030 . 2 . . . . 76 ILE HG13 . 11091 1 878 . 1 1 76 76 ILE HG21 H 1 0.460 0.030 . 1 . . . . 76 ILE HG2 . 11091 1 879 . 1 1 76 76 ILE HG22 H 1 0.460 0.030 . 1 . . . . 76 ILE HG2 . 11091 1 880 . 1 1 76 76 ILE HG23 H 1 0.460 0.030 . 1 . . . . 76 ILE HG2 . 11091 1 881 . 1 1 76 76 ILE C C 13 175.367 0.300 . 1 . . . . 76 ILE C . 11091 1 882 . 1 1 76 76 ILE CA C 13 60.127 0.300 . 1 . . . . 76 ILE CA . 11091 1 883 . 1 1 76 76 ILE CB C 13 40.321 0.300 . 1 . . . . 76 ILE CB . 11091 1 884 . 1 1 76 76 ILE CD1 C 13 14.341 0.300 . 1 . . . . 76 ILE CD1 . 11091 1 885 . 1 1 76 76 ILE CG1 C 13 26.012 0.300 . 1 . . . . 76 ILE CG1 . 11091 1 886 . 1 1 76 76 ILE CG2 C 13 17.317 0.300 . 1 . . . . 76 ILE CG2 . 11091 1 887 . 1 1 76 76 ILE N N 15 126.913 0.300 . 1 . . . . 76 ILE N . 11091 1 888 . 1 1 77 77 SER H H 1 9.220 0.030 . 1 . . . . 77 SER H . 11091 1 889 . 1 1 77 77 SER HA H 1 5.470 0.030 . 1 . . . . 77 SER HA . 11091 1 890 . 1 1 77 77 SER HB2 H 1 3.834 0.030 . 2 . . . . 77 SER HB2 . 11091 1 891 . 1 1 77 77 SER HB3 H 1 3.764 0.030 . 2 . . . . 77 SER HB3 . 11091 1 892 . 1 1 77 77 SER C C 13 173.319 0.300 . 1 . . . . 77 SER C . 11091 1 893 . 1 1 77 77 SER CA C 13 57.136 0.300 . 1 . . . . 77 SER CA . 11091 1 894 . 1 1 77 77 SER CB C 13 64.642 0.300 . 1 . . . . 77 SER CB . 11091 1 895 . 1 1 77 77 SER N N 15 122.910 0.300 . 1 . . . . 77 SER N . 11091 1 896 . 1 1 78 78 PHE H H 1 8.883 0.030 . 1 . . . . 78 PHE H . 11091 1 897 . 1 1 78 78 PHE HA H 1 5.075 0.030 . 1 . . . . 78 PHE HA . 11091 1 898 . 1 1 78 78 PHE HB2 H 1 2.715 0.030 . 2 . . . . 78 PHE HB2 . 11091 1 899 . 1 1 78 78 PHE HB3 H 1 2.474 0.030 . 2 . . . . 78 PHE HB3 . 11091 1 900 . 1 1 78 78 PHE HD1 H 1 5.787 0.030 . 1 . . . . 78 PHE HD1 . 11091 1 901 . 1 1 78 78 PHE HD2 H 1 5.787 0.030 . 1 . . . . 78 PHE HD2 . 11091 1 902 . 1 1 78 78 PHE HE1 H 1 6.544 0.030 . 1 . . . . 78 PHE HE1 . 11091 1 903 . 1 1 78 78 PHE HE2 H 1 6.544 0.030 . 1 . . . . 78 PHE HE2 . 11091 1 904 . 1 1 78 78 PHE HZ H 1 6.458 0.030 . 1 . . . . 78 PHE HZ . 11091 1 905 . 1 1 78 78 PHE C C 13 174.023 0.300 . 1 . . . . 78 PHE C . 11091 1 906 . 1 1 78 78 PHE CA C 13 56.749 0.300 . 1 . . . . 78 PHE CA . 11091 1 907 . 1 1 78 78 PHE CB C 13 44.387 0.300 . 1 . . . . 78 PHE CB . 11091 1 908 . 1 1 78 78 PHE CD1 C 13 130.768 0.300 . 1 . . . . 78 PHE CD1 . 11091 1 909 . 1 1 78 78 PHE CD2 C 13 130.768 0.300 . 1 . . . . 78 PHE CD2 . 11091 1 910 . 1 1 78 78 PHE CE1 C 13 130.672 0.300 . 1 . . . . 78 PHE CE1 . 11091 1 911 . 1 1 78 78 PHE CE2 C 13 130.672 0.300 . 1 . . . . 78 PHE CE2 . 11091 1 912 . 1 1 78 78 PHE CZ C 13 129.044 0.300 . 1 . . . . 78 PHE CZ . 11091 1 913 . 1 1 78 78 PHE N N 15 124.213 0.300 . 1 . . . . 78 PHE N . 11091 1 914 . 1 1 79 79 SER H H 1 6.329 0.030 . 1 . . . . 79 SER H . 11091 1 915 . 1 1 79 79 SER HA H 1 4.003 0.030 . 1 . . . . 79 SER HA . 11091 1 916 . 1 1 79 79 SER HB2 H 1 3.331 0.030 . 2 . . . . 79 SER HB2 . 11091 1 917 . 1 1 79 79 SER HB3 H 1 3.638 0.030 . 2 . . . . 79 SER HB3 . 11091 1 918 . 1 1 79 79 SER C C 13 172.882 0.300 . 1 . . . . 79 SER C . 11091 1 919 . 1 1 79 79 SER CA C 13 57.488 0.300 . 1 . . . . 79 SER CA . 11091 1 920 . 1 1 79 79 SER CB C 13 64.810 0.300 . 1 . . . . 79 SER CB . 11091 1 921 . 1 1 79 79 SER N N 15 119.723 0.300 . 1 . . . . 79 SER N . 11091 1 922 . 1 1 80 80 SER H H 1 8.912 0.030 . 1 . . . . 80 SER H . 11091 1 923 . 1 1 80 80 SER HA H 1 4.546 0.030 . 1 . . . . 80 SER HA . 11091 1 924 . 1 1 80 80 SER HB2 H 1 3.346 0.030 . 2 . . . . 80 SER HB2 . 11091 1 925 . 1 1 80 80 SER HB3 H 1 3.091 0.030 . 2 . . . . 80 SER HB3 . 11091 1 926 . 1 1 80 80 SER C C 13 174.635 0.300 . 1 . . . . 80 SER C . 11091 1 927 . 1 1 80 80 SER CA C 13 57.031 0.300 . 1 . . . . 80 SER CA . 11091 1 928 . 1 1 80 80 SER CB C 13 67.005 0.300 . 1 . . . . 80 SER CB . 11091 1 929 . 1 1 80 80 SER N N 15 119.420 0.300 . 1 . . . . 80 SER N . 11091 1 930 . 1 1 81 81 ILE H H 1 8.081 0.030 . 1 . . . . 81 ILE H . 11091 1 931 . 1 1 81 81 ILE HA H 1 4.891 0.030 . 1 . . . . 81 ILE HA . 11091 1 932 . 1 1 81 81 ILE HB H 1 2.108 0.030 . 1 . . . . 81 ILE HB . 11091 1 933 . 1 1 81 81 ILE HD11 H 1 0.808 0.030 . 1 . . . . 81 ILE HD1 . 11091 1 934 . 1 1 81 81 ILE HD12 H 1 0.808 0.030 . 1 . . . . 81 ILE HD1 . 11091 1 935 . 1 1 81 81 ILE HD13 H 1 0.808 0.030 . 1 . . . . 81 ILE HD1 . 11091 1 936 . 1 1 81 81 ILE HG12 H 1 1.071 0.030 . 1 . . . . 81 ILE HG12 . 11091 1 937 . 1 1 81 81 ILE HG13 H 1 1.071 0.030 . 1 . . . . 81 ILE HG13 . 11091 1 938 . 1 1 81 81 ILE HG21 H 1 0.798 0.030 . 1 . . . . 81 ILE HG2 . 11091 1 939 . 1 1 81 81 ILE HG22 H 1 0.798 0.030 . 1 . . . . 81 ILE HG2 . 11091 1 940 . 1 1 81 81 ILE HG23 H 1 0.798 0.030 . 1 . . . . 81 ILE HG2 . 11091 1 941 . 1 1 81 81 ILE C C 13 175.862 0.300 . 1 . . . . 81 ILE C . 11091 1 942 . 1 1 81 81 ILE CA C 13 60.303 0.300 . 1 . . . . 81 ILE CA . 11091 1 943 . 1 1 81 81 ILE CB C 13 38.247 0.300 . 1 . . . . 81 ILE CB . 11091 1 944 . 1 1 81 81 ILE CD1 C 13 14.411 0.300 . 1 . . . . 81 ILE CD1 . 11091 1 945 . 1 1 81 81 ILE CG1 C 13 26.275 0.300 . 1 . . . . 81 ILE CG1 . 11091 1 946 . 1 1 81 81 ILE CG2 C 13 17.607 0.300 . 1 . . . . 81 ILE CG2 . 11091 1 947 . 1 1 81 81 ILE N N 15 117.830 0.300 . 1 . . . . 81 ILE N . 11091 1 948 . 1 1 82 82 ILE H H 1 8.463 0.030 . 1 . . . . 82 ILE H . 11091 1 949 . 1 1 82 82 ILE HA H 1 3.838 0.030 . 1 . . . . 82 ILE HA . 11091 1 950 . 1 1 82 82 ILE HB H 1 1.766 0.030 . 1 . . . . 82 ILE HB . 11091 1 951 . 1 1 82 82 ILE HD11 H 1 0.741 0.030 . 1 . . . . 82 ILE HD1 . 11091 1 952 . 1 1 82 82 ILE HD12 H 1 0.741 0.030 . 1 . . . . 82 ILE HD1 . 11091 1 953 . 1 1 82 82 ILE HD13 H 1 0.741 0.030 . 1 . . . . 82 ILE HD1 . 11091 1 954 . 1 1 82 82 ILE HG12 H 1 0.900 0.030 . 2 . . . . 82 ILE HG12 . 11091 1 955 . 1 1 82 82 ILE HG13 H 1 1.487 0.030 . 2 . . . . 82 ILE HG13 . 11091 1 956 . 1 1 82 82 ILE HG21 H 1 0.828 0.030 . 1 . . . . 82 ILE HG2 . 11091 1 957 . 1 1 82 82 ILE HG22 H 1 0.828 0.030 . 1 . . . . 82 ILE HG2 . 11091 1 958 . 1 1 82 82 ILE HG23 H 1 0.828 0.030 . 1 . . . . 82 ILE HG2 . 11091 1 959 . 1 1 82 82 ILE C C 13 175.367 0.300 . 1 . . . . 82 ILE C . 11091 1 960 . 1 1 82 82 ILE CA C 13 61.501 0.300 . 1 . . . . 82 ILE CA . 11091 1 961 . 1 1 82 82 ILE CB C 13 37.279 0.300 . 1 . . . . 82 ILE CB . 11091 1 962 . 1 1 82 82 ILE CD1 C 13 13.551 0.300 . 1 . . . . 82 ILE CD1 . 11091 1 963 . 1 1 82 82 ILE CG1 C 13 27.429 0.300 . 1 . . . . 82 ILE CG1 . 11091 1 964 . 1 1 82 82 ILE CG2 C 13 17.296 0.300 . 1 . . . . 82 ILE CG2 . 11091 1 965 . 1 1 82 82 ILE N N 15 126.839 0.300 . 1 . . . . 82 ILE N . 11091 1 966 . 1 1 83 83 LEU H H 1 8.056 0.030 . 1 . . . . 83 LEU H . 11091 1 967 . 1 1 83 83 LEU HA H 1 3.948 0.030 . 1 . . . . 83 LEU HA . 11091 1 968 . 1 1 83 83 LEU HB2 H 1 1.740 0.030 . 2 . . . . 83 LEU HB2 . 11091 1 969 . 1 1 83 83 LEU HB3 H 1 1.394 0.030 . 2 . . . . 83 LEU HB3 . 11091 1 970 . 1 1 83 83 LEU HD11 H 1 0.913 0.030 . 1 . . . . 83 LEU HD1 . 11091 1 971 . 1 1 83 83 LEU HD12 H 1 0.913 0.030 . 1 . . . . 83 LEU HD1 . 11091 1 972 . 1 1 83 83 LEU HD13 H 1 0.913 0.030 . 1 . . . . 83 LEU HD1 . 11091 1 973 . 1 1 83 83 LEU HD21 H 1 0.662 0.030 . 1 . . . . 83 LEU HD2 . 11091 1 974 . 1 1 83 83 LEU HD22 H 1 0.662 0.030 . 1 . . . . 83 LEU HD2 . 11091 1 975 . 1 1 83 83 LEU HD23 H 1 0.662 0.030 . 1 . . . . 83 LEU HD2 . 11091 1 976 . 1 1 83 83 LEU HG H 1 1.704 0.030 . 1 . . . . 83 LEU HG . 11091 1 977 . 1 1 83 83 LEU C C 13 178.361 0.300 . 1 . . . . 83 LEU C . 11091 1 978 . 1 1 83 83 LEU CA C 13 55.975 0.300 . 1 . . . . 83 LEU CA . 11091 1 979 . 1 1 83 83 LEU CB C 13 42.788 0.300 . 1 . . . . 83 LEU CB . 11091 1 980 . 1 1 83 83 LEU CD1 C 13 25.618 0.300 . 2 . . . . 83 LEU CD1 . 11091 1 981 . 1 1 83 83 LEU CD2 C 13 23.369 0.300 . 2 . . . . 83 LEU CD2 . 11091 1 982 . 1 1 83 83 LEU CG C 13 27.246 0.300 . 1 . . . . 83 LEU CG . 11091 1 983 . 1 1 83 83 LEU N N 15 126.622 0.300 . 1 . . . . 83 LEU N . 11091 1 984 . 1 1 84 84 GLY H H 1 9.071 0.030 . 1 . . . . 84 GLY H . 11091 1 985 . 1 1 84 84 GLY HA2 H 1 3.794 0.030 . 2 . . . . 84 GLY HA2 . 11091 1 986 . 1 1 84 84 GLY HA3 H 1 4.850 0.030 . 2 . . . . 84 GLY HA3 . 11091 1 987 . 1 1 84 84 GLY C C 13 176.209 0.300 . 1 . . . . 84 GLY C . 11091 1 988 . 1 1 84 84 GLY CA C 13 44.094 0.300 . 1 . . . . 84 GLY CA . 11091 1 989 . 1 1 84 84 GLY N N 15 106.595 0.300 . 1 . . . . 84 GLY N . 11091 1 990 . 1 1 85 85 ASN H H 1 8.822 0.030 . 1 . . . . 85 ASN H . 11091 1 991 . 1 1 85 85 ASN HA H 1 5.063 0.030 . 1 . . . . 85 ASN HA . 11091 1 992 . 1 1 85 85 ASN HB2 H 1 2.794 0.030 . 2 . . . . 85 ASN HB2 . 11091 1 993 . 1 1 85 85 ASN HB3 H 1 2.664 0.030 . 2 . . . . 85 ASN HB3 . 11091 1 994 . 1 1 85 85 ASN HD21 H 1 6.840 0.030 . 2 . . . . 85 ASN HD21 . 11091 1 995 . 1 1 85 85 ASN HD22 H 1 7.567 0.030 . 2 . . . . 85 ASN HD22 . 11091 1 996 . 1 1 85 85 ASN C C 13 175.241 0.300 . 1 . . . . 85 ASN C . 11091 1 997 . 1 1 85 85 ASN CA C 13 54.286 0.300 . 1 . . . . 85 ASN CA . 11091 1 998 . 1 1 85 85 ASN CB C 13 39.710 0.300 . 1 . . . . 85 ASN CB . 11091 1 999 . 1 1 85 85 ASN N N 15 121.038 0.300 . 1 . . . . 85 ASN N . 11091 1 1000 . 1 1 85 85 ASN ND2 N 15 112.794 0.300 . 1 . . . . 85 ASN ND2 . 11091 1 1001 . 1 1 86 86 PHE H H 1 8.683 0.030 . 1 . . . . 86 PHE H . 11091 1 1002 . 1 1 86 86 PHE HA H 1 5.091 0.030 . 1 . . . . 86 PHE HA . 11091 1 1003 . 1 1 86 86 PHE HB2 H 1 3.275 0.030 . 2 . . . . 86 PHE HB2 . 11091 1 1004 . 1 1 86 86 PHE HB3 H 1 2.998 0.030 . 2 . . . . 86 PHE HB3 . 11091 1 1005 . 1 1 86 86 PHE HD1 H 1 7.110 0.030 . 1 . . . . 86 PHE HD1 . 11091 1 1006 . 1 1 86 86 PHE HD2 H 1 7.110 0.030 . 1 . . . . 86 PHE HD2 . 11091 1 1007 . 1 1 86 86 PHE HE1 H 1 6.805 0.030 . 1 . . . . 86 PHE HE1 . 11091 1 1008 . 1 1 86 86 PHE HE2 H 1 6.805 0.030 . 1 . . . . 86 PHE HE2 . 11091 1 1009 . 1 1 86 86 PHE HZ H 1 6.460 0.030 . 1 . . . . 86 PHE HZ . 11091 1 1010 . 1 1 86 86 PHE C C 13 173.862 0.300 . 1 . . . . 86 PHE C . 11091 1 1011 . 1 1 86 86 PHE CA C 13 56.688 0.300 . 1 . . . . 86 PHE CA . 11091 1 1012 . 1 1 86 86 PHE CB C 13 43.240 0.300 . 1 . . . . 86 PHE CB . 11091 1 1013 . 1 1 86 86 PHE CD1 C 13 132.800 0.300 . 1 . . . . 86 PHE CD1 . 11091 1 1014 . 1 1 86 86 PHE CD2 C 13 132.800 0.300 . 1 . . . . 86 PHE CD2 . 11091 1 1015 . 1 1 86 86 PHE CE1 C 13 129.804 0.300 . 1 . . . . 86 PHE CE1 . 11091 1 1016 . 1 1 86 86 PHE CE2 C 13 129.804 0.300 . 1 . . . . 86 PHE CE2 . 11091 1 1017 . 1 1 86 86 PHE CZ C 13 128.447 0.300 . 1 . . . . 86 PHE CZ . 11091 1 1018 . 1 1 86 86 PHE N N 15 118.221 0.300 . 1 . . . . 86 PHE N . 11091 1 1019 . 1 1 87 87 GLU H H 1 8.958 0.030 . 1 . . . . 87 GLU H . 11091 1 1020 . 1 1 87 87 GLU HA H 1 4.764 0.030 . 1 . . . . 87 GLU HA . 11091 1 1021 . 1 1 87 87 GLU HB2 H 1 1.997 0.030 . 2 . . . . 87 GLU HB2 . 11091 1 1022 . 1 1 87 87 GLU HB3 H 1 1.897 0.030 . 2 . . . . 87 GLU HB3 . 11091 1 1023 . 1 1 87 87 GLU HG2 H 1 1.851 0.030 . 2 . . . . 87 GLU HG2 . 11091 1 1024 . 1 1 87 87 GLU HG3 H 1 1.750 0.030 . 2 . . . . 87 GLU HG3 . 11091 1 1025 . 1 1 87 87 GLU C C 13 173.934 0.300 . 1 . . . . 87 GLU C . 11091 1 1026 . 1 1 87 87 GLU CA C 13 57.594 0.300 . 1 . . . . 87 GLU CA . 11091 1 1027 . 1 1 87 87 GLU CB C 13 31.593 0.300 . 1 . . . . 87 GLU CB . 11091 1 1028 . 1 1 87 87 GLU CG C 13 37.525 0.300 . 1 . . . . 87 GLU CG . 11091 1 1029 . 1 1 87 87 GLU N N 15 122.879 0.300 . 1 . . . . 87 GLU N . 11091 1 1030 . 1 1 88 88 GLU H H 1 9.262 0.030 . 1 . . . . 88 GLU H . 11091 1 1031 . 1 1 88 88 GLU HA H 1 4.552 0.030 . 1 . . . . 88 GLU HA . 11091 1 1032 . 1 1 88 88 GLU HB2 H 1 1.645 0.030 . 2 . . . . 88 GLU HB2 . 11091 1 1033 . 1 1 88 88 GLU HB3 H 1 1.542 0.030 . 2 . . . . 88 GLU HB3 . 11091 1 1034 . 1 1 88 88 GLU HG2 H 1 1.917 0.030 . 2 . . . . 88 GLU HG2 . 11091 1 1035 . 1 1 88 88 GLU HG3 H 1 2.145 0.030 . 2 . . . . 88 GLU HG3 . 11091 1 1036 . 1 1 88 88 GLU C C 13 173.102 0.300 . 1 . . . . 88 GLU C . 11091 1 1037 . 1 1 88 88 GLU CA C 13 54.075 0.300 . 1 . . . . 88 GLU CA . 11091 1 1038 . 1 1 88 88 GLU CB C 13 34.404 0.300 . 1 . . . . 88 GLU CB . 11091 1 1039 . 1 1 88 88 GLU CG C 13 36.539 0.300 . 1 . . . . 88 GLU CG . 11091 1 1040 . 1 1 88 88 GLU N N 15 126.686 0.300 . 1 . . . . 88 GLU N . 11091 1 1041 . 1 1 89 89 GLU H H 1 8.238 0.030 . 1 . . . . 89 GLU H . 11091 1 1042 . 1 1 89 89 GLU HA H 1 4.875 0.030 . 1 . . . . 89 GLU HA . 11091 1 1043 . 1 1 89 89 GLU HB2 H 1 1.770 0.030 . 2 . . . . 89 GLU HB2 . 11091 1 1044 . 1 1 89 89 GLU HB3 H 1 1.663 0.030 . 2 . . . . 89 GLU HB3 . 11091 1 1045 . 1 1 89 89 GLU HG2 H 1 2.058 0.030 . 2 . . . . 89 GLU HG2 . 11091 1 1046 . 1 1 89 89 GLU HG3 H 1 2.095 0.030 . 2 . . . . 89 GLU HG3 . 11091 1 1047 . 1 1 89 89 GLU C C 13 174.871 0.300 . 1 . . . . 89 GLU C . 11091 1 1048 . 1 1 89 89 GLU CA C 13 54.638 0.300 . 1 . . . . 89 GLU CA . 11091 1 1049 . 1 1 89 89 GLU CB C 13 32.673 0.300 . 1 . . . . 89 GLU CB . 11091 1 1050 . 1 1 89 89 GLU CG C 13 36.867 0.300 . 1 . . . . 89 GLU CG . 11091 1 1051 . 1 1 89 89 GLU N N 15 120.881 0.300 . 1 . . . . 89 GLU N . 11091 1 1052 . 1 1 90 90 PHE H H 1 9.224 0.030 . 1 . . . . 90 PHE H . 11091 1 1053 . 1 1 90 90 PHE HA H 1 4.632 0.030 . 1 . . . . 90 PHE HA . 11091 1 1054 . 1 1 90 90 PHE HB2 H 1 2.568 0.030 . 2 . . . . 90 PHE HB2 . 11091 1 1055 . 1 1 90 90 PHE HB3 H 1 2.710 0.030 . 2 . . . . 90 PHE HB3 . 11091 1 1056 . 1 1 90 90 PHE HD1 H 1 7.067 0.030 . 1 . . . . 90 PHE HD1 . 11091 1 1057 . 1 1 90 90 PHE HD2 H 1 7.067 0.030 . 1 . . . . 90 PHE HD2 . 11091 1 1058 . 1 1 90 90 PHE HE1 H 1 6.879 0.030 . 1 . . . . 90 PHE HE1 . 11091 1 1059 . 1 1 90 90 PHE HE2 H 1 6.879 0.030 . 1 . . . . 90 PHE HE2 . 11091 1 1060 . 1 1 90 90 PHE HZ H 1 6.539 0.030 . 1 . . . . 90 PHE HZ . 11091 1 1061 . 1 1 90 90 PHE C C 13 174.078 0.300 . 1 . . . . 90 PHE C . 11091 1 1062 . 1 1 90 90 PHE CA C 13 57.253 0.300 . 1 . . . . 90 PHE CA . 11091 1 1063 . 1 1 90 90 PHE CB C 13 40.900 0.300 . 1 . . . . 90 PHE CB . 11091 1 1064 . 1 1 90 90 PHE CD1 C 13 132.090 0.300 . 1 . . . . 90 PHE CD1 . 11091 1 1065 . 1 1 90 90 PHE CD2 C 13 132.090 0.300 . 1 . . . . 90 PHE CD2 . 11091 1 1066 . 1 1 90 90 PHE CE1 C 13 130.518 0.300 . 1 . . . . 90 PHE CE1 . 11091 1 1067 . 1 1 90 90 PHE CE2 C 13 130.518 0.300 . 1 . . . . 90 PHE CE2 . 11091 1 1068 . 1 1 90 90 PHE CZ C 13 129.557 0.300 . 1 . . . . 90 PHE CZ . 11091 1 1069 . 1 1 90 90 PHE N N 15 124.029 0.300 . 1 . . . . 90 PHE N . 11091 1 1070 . 1 1 91 91 LEU H H 1 8.879 0.030 . 1 . . . . 91 LEU H . 11091 1 1071 . 1 1 91 91 LEU HA H 1 5.007 0.030 . 1 . . . . 91 LEU HA . 11091 1 1072 . 1 1 91 91 LEU HB2 H 1 1.800 0.030 . 2 . . . . 91 LEU HB2 . 11091 1 1073 . 1 1 91 91 LEU HB3 H 1 1.255 0.030 . 2 . . . . 91 LEU HB3 . 11091 1 1074 . 1 1 91 91 LEU HD11 H 1 0.889 0.030 . 1 . . . . 91 LEU HD1 . 11091 1 1075 . 1 1 91 91 LEU HD12 H 1 0.889 0.030 . 1 . . . . 91 LEU HD1 . 11091 1 1076 . 1 1 91 91 LEU HD13 H 1 0.889 0.030 . 1 . . . . 91 LEU HD1 . 11091 1 1077 . 1 1 91 91 LEU HD21 H 1 0.778 0.030 . 1 . . . . 91 LEU HD2 . 11091 1 1078 . 1 1 91 91 LEU HD22 H 1 0.778 0.030 . 1 . . . . 91 LEU HD2 . 11091 1 1079 . 1 1 91 91 LEU HD23 H 1 0.778 0.030 . 1 . . . . 91 LEU HD2 . 11091 1 1080 . 1 1 91 91 LEU HG H 1 1.589 0.030 . 1 . . . . 91 LEU HG . 11091 1 1081 . 1 1 91 91 LEU C C 13 175.984 0.300 . 1 . . . . 91 LEU C . 11091 1 1082 . 1 1 91 91 LEU CA C 13 53.723 0.300 . 1 . . . . 91 LEU CA . 11091 1 1083 . 1 1 91 91 LEU CB C 13 43.723 0.300 . 1 . . . . 91 LEU CB . 11091 1 1084 . 1 1 91 91 LEU CD1 C 13 25.185 0.300 . 2 . . . . 91 LEU CD1 . 11091 1 1085 . 1 1 91 91 LEU CD2 C 13 23.491 0.300 . 2 . . . . 91 LEU CD2 . 11091 1 1086 . 1 1 91 91 LEU CG C 13 27.363 0.300 . 1 . . . . 91 LEU CG . 11091 1 1087 . 1 1 91 91 LEU N N 15 121.765 0.300 . 1 . . . . 91 LEU N . 11091 1 1088 . 1 1 92 92 VAL H H 1 9.343 0.030 . 1 . . . . 92 VAL H . 11091 1 1089 . 1 1 92 92 VAL HA H 1 4.409 0.030 . 1 . . . . 92 VAL HA . 11091 1 1090 . 1 1 92 92 VAL HB H 1 2.102 0.030 . 1 . . . . 92 VAL HB . 11091 1 1091 . 1 1 92 92 VAL HG11 H 1 0.734 0.030 . 1 . . . . 92 VAL HG1 . 11091 1 1092 . 1 1 92 92 VAL HG12 H 1 0.734 0.030 . 1 . . . . 92 VAL HG1 . 11091 1 1093 . 1 1 92 92 VAL HG13 H 1 0.734 0.030 . 1 . . . . 92 VAL HG1 . 11091 1 1094 . 1 1 92 92 VAL HG21 H 1 0.920 0.030 . 1 . . . . 92 VAL HG2 . 11091 1 1095 . 1 1 92 92 VAL HG22 H 1 0.920 0.030 . 1 . . . . 92 VAL HG2 . 11091 1 1096 . 1 1 92 92 VAL HG23 H 1 0.920 0.030 . 1 . . . . 92 VAL HG2 . 11091 1 1097 . 1 1 92 92 VAL C C 13 174.918 0.300 . 1 . . . . 92 VAL C . 11091 1 1098 . 1 1 92 92 VAL CA C 13 61.605 0.300 . 1 . . . . 92 VAL CA . 11091 1 1099 . 1 1 92 92 VAL CB C 13 33.167 0.300 . 1 . . . . 92 VAL CB . 11091 1 1100 . 1 1 92 92 VAL CG1 C 13 22.024 0.300 . 2 . . . . 92 VAL CG1 . 11091 1 1101 . 1 1 92 92 VAL CG2 C 13 21.377 0.300 . 2 . . . . 92 VAL CG2 . 11091 1 1102 . 1 1 92 92 VAL N N 15 123.959 0.300 . 1 . . . . 92 VAL N . 11091 1 1103 . 1 1 93 93 ASN H H 1 8.848 0.030 . 1 . . . . 93 ASN H . 11091 1 1104 . 1 1 93 93 ASN HA H 1 4.897 0.030 . 1 . . . . 93 ASN HA . 11091 1 1105 . 1 1 93 93 ASN HB2 H 1 2.729 0.030 . 1 . . . . 93 ASN HB2 . 11091 1 1106 . 1 1 93 93 ASN HB3 H 1 2.729 0.030 . 1 . . . . 93 ASN HB3 . 11091 1 1107 . 1 1 93 93 ASN HD21 H 1 7.308 0.030 . 2 . . . . 93 ASN HD21 . 11091 1 1108 . 1 1 93 93 ASN HD22 H 1 7.012 0.030 . 2 . . . . 93 ASN HD22 . 11091 1 1109 . 1 1 93 93 ASN C C 13 174.558 0.300 . 1 . . . . 93 ASN C . 11091 1 1110 . 1 1 93 93 ASN CA C 13 52.958 0.300 . 1 . . . . 93 ASN CA . 11091 1 1111 . 1 1 93 93 ASN CB C 13 40.368 0.300 . 1 . . . . 93 ASN CB . 11091 1 1112 . 1 1 93 93 ASN N N 15 125.607 0.300 . 1 . . . . 93 ASN N . 11091 1 1113 . 1 1 93 93 ASN ND2 N 15 114.525 0.300 . 1 . . . . 93 ASN ND2 . 11091 1 1114 . 1 1 94 94 VAL H H 1 9.241 0.030 . 1 . . . . 94 VAL H . 11091 1 1115 . 1 1 94 94 VAL HA H 1 4.890 0.030 . 1 . . . . 94 VAL HA . 11091 1 1116 . 1 1 94 94 VAL HB H 1 1.964 0.030 . 1 . . . . 94 VAL HB . 11091 1 1117 . 1 1 94 94 VAL HG11 H 1 0.840 0.030 . 1 . . . . 94 VAL HG1 . 11091 1 1118 . 1 1 94 94 VAL HG12 H 1 0.840 0.030 . 1 . . . . 94 VAL HG1 . 11091 1 1119 . 1 1 94 94 VAL HG13 H 1 0.840 0.030 . 1 . . . . 94 VAL HG1 . 11091 1 1120 . 1 1 94 94 VAL HG21 H 1 0.890 0.030 . 1 . . . . 94 VAL HG2 . 11091 1 1121 . 1 1 94 94 VAL HG22 H 1 0.890 0.030 . 1 . . . . 94 VAL HG2 . 11091 1 1122 . 1 1 94 94 VAL HG23 H 1 0.890 0.030 . 1 . . . . 94 VAL HG2 . 11091 1 1123 . 1 1 94 94 VAL C C 13 176.119 0.300 . 1 . . . . 94 VAL C . 11091 1 1124 . 1 1 94 94 VAL CA C 13 60.233 0.300 . 1 . . . . 94 VAL CA . 11091 1 1125 . 1 1 94 94 VAL CB C 13 34.137 0.300 . 1 . . . . 94 VAL CB . 11091 1 1126 . 1 1 94 94 VAL CG1 C 13 21.319 0.300 . 2 . . . . 94 VAL CG1 . 11091 1 1127 . 1 1 94 94 VAL CG2 C 13 21.319 0.300 . 2 . . . . 94 VAL CG2 . 11091 1 1128 . 1 1 94 94 VAL N N 15 123.642 0.300 . 1 . . . . 94 VAL N . 11091 1 1129 . 1 1 95 95 ASN H H 1 8.787 0.030 . 1 . . . . 95 ASN H . 11091 1 1130 . 1 1 95 95 ASN HA H 1 4.420 0.030 . 1 . . . . 95 ASN HA . 11091 1 1131 . 1 1 95 95 ASN HB2 H 1 2.954 0.030 . 2 . . . . 95 ASN HB2 . 11091 1 1132 . 1 1 95 95 ASN HB3 H 1 2.878 0.030 . 2 . . . . 95 ASN HB3 . 11091 1 1133 . 1 1 95 95 ASN HD21 H 1 7.074 0.030 . 2 . . . . 95 ASN HD21 . 11091 1 1134 . 1 1 95 95 ASN HD22 H 1 7.727 0.030 . 2 . . . . 95 ASN HD22 . 11091 1 1135 . 1 1 95 95 ASN C C 13 176.289 0.300 . 1 . . . . 95 ASN C . 11091 1 1136 . 1 1 95 95 ASN CA C 13 55.342 0.300 . 1 . . . . 95 ASN CA . 11091 1 1137 . 1 1 95 95 ASN CB C 13 38.121 0.300 . 1 . . . . 95 ASN CB . 11091 1 1138 . 1 1 95 95 ASN N N 15 125.963 0.300 . 1 . . . . 95 ASN N . 11091 1 1139 . 1 1 95 95 ASN ND2 N 15 112.897 0.300 . 1 . . . . 95 ASN ND2 . 11091 1 1140 . 1 1 96 96 GLY H H 1 8.882 0.030 . 1 . . . . 96 GLY H . 11091 1 1141 . 1 1 96 96 GLY HA2 H 1 3.729 0.030 . 2 . . . . 96 GLY HA2 . 11091 1 1142 . 1 1 96 96 GLY HA3 H 1 4.200 0.030 . 2 . . . . 96 GLY HA3 . 11091 1 1143 . 1 1 96 96 GLY C C 13 174.066 0.300 . 1 . . . . 96 GLY C . 11091 1 1144 . 1 1 96 96 GLY CA C 13 45.490 0.300 . 1 . . . . 96 GLY CA . 11091 1 1145 . 1 1 96 96 GLY N N 15 111.411 0.300 . 1 . . . . 96 GLY N . 11091 1 1146 . 1 1 97 97 SER H H 1 7.993 0.030 . 1 . . . . 97 SER H . 11091 1 1147 . 1 1 97 97 SER HA H 1 5.102 0.030 . 1 . . . . 97 SER HA . 11091 1 1148 . 1 1 97 97 SER HB2 H 1 3.979 0.030 . 2 . . . . 97 SER HB2 . 11091 1 1149 . 1 1 97 97 SER HB3 H 1 3.857 0.030 . 2 . . . . 97 SER HB3 . 11091 1 1150 . 1 1 97 97 SER C C 13 174.468 0.300 . 1 . . . . 97 SER C . 11091 1 1151 . 1 1 97 97 SER CA C 13 54.744 0.300 . 1 . . . . 97 SER CA . 11091 1 1152 . 1 1 97 97 SER CB C 13 64.333 0.300 . 1 . . . . 97 SER CB . 11091 1 1153 . 1 1 97 97 SER N N 15 115.711 0.300 . 1 . . . . 97 SER N . 11091 1 1154 . 1 1 98 98 PRO HA H 1 4.540 0.030 . 1 . . . . 98 PRO HA . 11091 1 1155 . 1 1 98 98 PRO HB2 H 1 2.098 0.030 . 2 . . . . 98 PRO HB2 . 11091 1 1156 . 1 1 98 98 PRO HB3 H 1 2.305 0.030 . 2 . . . . 98 PRO HB3 . 11091 1 1157 . 1 1 98 98 PRO HD2 H 1 4.010 0.030 . 2 . . . . 98 PRO HD2 . 11091 1 1158 . 1 1 98 98 PRO HD3 H 1 3.870 0.030 . 2 . . . . 98 PRO HD3 . 11091 1 1159 . 1 1 98 98 PRO HG2 H 1 2.051 0.030 . 2 . . . . 98 PRO HG2 . 11091 1 1160 . 1 1 98 98 PRO HG3 H 1 2.096 0.030 . 2 . . . . 98 PRO HG3 . 11091 1 1161 . 1 1 98 98 PRO C C 13 176.288 0.300 . 1 . . . . 98 PRO C . 11091 1 1162 . 1 1 98 98 PRO CA C 13 63.997 0.300 . 1 . . . . 98 PRO CA . 11091 1 1163 . 1 1 98 98 PRO CB C 13 32.345 0.300 . 1 . . . . 98 PRO CB . 11091 1 1164 . 1 1 98 98 PRO CD C 13 51.094 0.300 . 1 . . . . 98 PRO CD . 11091 1 1165 . 1 1 98 98 PRO CG C 13 26.835 0.300 . 1 . . . . 98 PRO CG . 11091 1 1166 . 1 1 99 99 GLU H H 1 7.673 0.030 . 1 . . . . 99 GLU H . 11091 1 1167 . 1 1 99 99 GLU HA H 1 4.903 0.030 . 1 . . . . 99 GLU HA . 11091 1 1168 . 1 1 99 99 GLU HB2 H 1 1.905 0.030 . 2 . . . . 99 GLU HB2 . 11091 1 1169 . 1 1 99 99 GLU HB3 H 1 2.041 0.030 . 2 . . . . 99 GLU HB3 . 11091 1 1170 . 1 1 99 99 GLU HG2 H 1 2.256 0.030 . 1 . . . . 99 GLU HG2 . 11091 1 1171 . 1 1 99 99 GLU HG3 H 1 2.256 0.030 . 1 . . . . 99 GLU HG3 . 11091 1 1172 . 1 1 99 99 GLU C C 13 174.492 0.300 . 1 . . . . 99 GLU C . 11091 1 1173 . 1 1 99 99 GLU CA C 13 53.125 0.300 . 1 . . . . 99 GLU CA . 11091 1 1174 . 1 1 99 99 GLU CB C 13 30.700 0.300 . 1 . . . . 99 GLU CB . 11091 1 1175 . 1 1 99 99 GLU CG C 13 35.816 0.300 . 1 . . . . 99 GLU CG . 11091 1 1176 . 1 1 99 99 GLU N N 15 118.610 0.300 . 1 . . . . 99 GLU N . 11091 1 1177 . 1 1 100 100 PRO HA H 1 4.887 0.030 . 1 . . . . 100 PRO HA . 11091 1 1178 . 1 1 100 100 PRO HB2 H 1 1.697 0.030 . 2 . . . . 100 PRO HB2 . 11091 1 1179 . 1 1 100 100 PRO HB3 H 1 2.217 0.030 . 2 . . . . 100 PRO HB3 . 11091 1 1180 . 1 1 100 100 PRO HD2 H 1 3.825 0.030 . 2 . . . . 100 PRO HD2 . 11091 1 1181 . 1 1 100 100 PRO HD3 H 1 3.937 0.030 . 2 . . . . 100 PRO HD3 . 11091 1 1182 . 1 1 100 100 PRO HG2 H 1 1.910 0.030 . 2 . . . . 100 PRO HG2 . 11091 1 1183 . 1 1 100 100 PRO HG3 H 1 2.109 0.030 . 2 . . . . 100 PRO HG3 . 11091 1 1184 . 1 1 100 100 PRO C C 13 176.343 0.300 . 1 . . . . 100 PRO C . 11091 1 1185 . 1 1 100 100 PRO CA C 13 62.485 0.300 . 1 . . . . 100 PRO CA . 11091 1 1186 . 1 1 100 100 PRO CB C 13 32.756 0.300 . 1 . . . . 100 PRO CB . 11091 1 1187 . 1 1 100 100 PRO CD C 13 50.766 0.300 . 1 . . . . 100 PRO CD . 11091 1 1188 . 1 1 100 100 PRO CG C 13 26.808 0.300 . 1 . . . . 100 PRO CG . 11091 1 1189 . 1 1 101 101 VAL H H 1 9.013 0.030 . 1 . . . . 101 VAL H . 11091 1 1190 . 1 1 101 101 VAL HA H 1 4.201 0.030 . 1 . . . . 101 VAL HA . 11091 1 1191 . 1 1 101 101 VAL HB H 1 1.895 0.030 . 1 . . . . 101 VAL HB . 11091 1 1192 . 1 1 101 101 VAL HG11 H 1 0.935 0.030 . 1 . . . . 101 VAL HG1 . 11091 1 1193 . 1 1 101 101 VAL HG12 H 1 0.935 0.030 . 1 . . . . 101 VAL HG1 . 11091 1 1194 . 1 1 101 101 VAL HG13 H 1 0.935 0.030 . 1 . . . . 101 VAL HG1 . 11091 1 1195 . 1 1 101 101 VAL HG21 H 1 0.866 0.030 . 1 . . . . 101 VAL HG2 . 11091 1 1196 . 1 1 101 101 VAL HG22 H 1 0.866 0.030 . 1 . . . . 101 VAL HG2 . 11091 1 1197 . 1 1 101 101 VAL HG23 H 1 0.866 0.030 . 1 . . . . 101 VAL HG2 . 11091 1 1198 . 1 1 101 101 VAL C C 13 174.981 0.300 . 1 . . . . 101 VAL C . 11091 1 1199 . 1 1 101 101 VAL CA C 13 62.344 0.300 . 1 . . . . 101 VAL CA . 11091 1 1200 . 1 1 101 101 VAL CB C 13 33.085 0.300 . 1 . . . . 101 VAL CB . 11091 1 1201 . 1 1 101 101 VAL CG1 C 13 22.170 0.300 . 2 . . . . 101 VAL CG1 . 11091 1 1202 . 1 1 101 101 VAL CG2 C 13 21.506 0.300 . 2 . . . . 101 VAL CG2 . 11091 1 1203 . 1 1 101 101 VAL N N 15 122.672 0.300 . 1 . . . . 101 VAL N . 11091 1 1204 . 1 1 102 102 LYS H H 1 8.522 0.030 . 1 . . . . 102 LYS H . 11091 1 1205 . 1 1 102 102 LYS HA H 1 5.350 0.030 . 1 . . . . 102 LYS HA . 11091 1 1206 . 1 1 102 102 LYS HB2 H 1 1.636 0.030 . 2 . . . . 102 LYS HB2 . 11091 1 1207 . 1 1 102 102 LYS HB3 H 1 1.712 0.030 . 2 . . . . 102 LYS HB3 . 11091 1 1208 . 1 1 102 102 LYS HD2 H 1 1.552 0.030 . 1 . . . . 102 LYS HD2 . 11091 1 1209 . 1 1 102 102 LYS HD3 H 1 1.552 0.030 . 1 . . . . 102 LYS HD3 . 11091 1 1210 . 1 1 102 102 LYS HE2 H 1 2.776 0.030 . 2 . . . . 102 LYS HE2 . 11091 1 1211 . 1 1 102 102 LYS HE3 H 1 2.875 0.030 . 2 . . . . 102 LYS HE3 . 11091 1 1212 . 1 1 102 102 LYS HG2 H 1 1.246 0.030 . 2 . . . . 102 LYS HG2 . 11091 1 1213 . 1 1 102 102 LYS HG3 H 1 1.312 0.030 . 2 . . . . 102 LYS HG3 . 11091 1 1214 . 1 1 102 102 LYS C C 13 174.985 0.300 . 1 . . . . 102 LYS C . 11091 1 1215 . 1 1 102 102 LYS CA C 13 55.776 0.300 . 1 . . . . 102 LYS CA . 11091 1 1216 . 1 1 102 102 LYS CB C 13 35.716 0.300 . 1 . . . . 102 LYS CB . 11091 1 1217 . 1 1 102 102 LYS CD C 13 29.418 0.300 . 1 . . . . 102 LYS CD . 11091 1 1218 . 1 1 102 102 LYS CE C 13 41.884 0.300 . 1 . . . . 102 LYS CE . 11091 1 1219 . 1 1 102 102 LYS CG C 13 25.190 0.300 . 1 . . . . 102 LYS CG . 11091 1 1220 . 1 1 102 102 LYS N N 15 126.912 0.300 . 1 . . . . 102 LYS N . 11091 1 1221 . 1 1 103 103 LEU H H 1 8.839 0.030 . 1 . . . . 103 LEU H . 11091 1 1222 . 1 1 103 103 LEU HA H 1 4.590 0.030 . 1 . . . . 103 LEU HA . 11091 1 1223 . 1 1 103 103 LEU HB2 H 1 0.819 0.030 . 2 . . . . 103 LEU HB2 . 11091 1 1224 . 1 1 103 103 LEU HB3 H 1 1.323 0.030 . 2 . . . . 103 LEU HB3 . 11091 1 1225 . 1 1 103 103 LEU HD11 H 1 0.339 0.030 . 1 . . . . 103 LEU HD1 . 11091 1 1226 . 1 1 103 103 LEU HD12 H 1 0.339 0.030 . 1 . . . . 103 LEU HD1 . 11091 1 1227 . 1 1 103 103 LEU HD13 H 1 0.339 0.030 . 1 . . . . 103 LEU HD1 . 11091 1 1228 . 1 1 103 103 LEU HD21 H 1 0.172 0.030 . 1 . . . . 103 LEU HD2 . 11091 1 1229 . 1 1 103 103 LEU HD22 H 1 0.172 0.030 . 1 . . . . 103 LEU HD2 . 11091 1 1230 . 1 1 103 103 LEU HD23 H 1 0.172 0.030 . 1 . . . . 103 LEU HD2 . 11091 1 1231 . 1 1 103 103 LEU HG H 1 1.095 0.030 . 1 . . . . 103 LEU HG . 11091 1 1232 . 1 1 103 103 LEU C C 13 174.859 0.300 . 1 . . . . 103 LEU C . 11091 1 1233 . 1 1 103 103 LEU CA C 13 53.829 0.300 . 1 . . . . 103 LEU CA . 11091 1 1234 . 1 1 103 103 LEU CB C 13 45.502 0.300 . 1 . . . . 103 LEU CB . 11091 1 1235 . 1 1 103 103 LEU CD1 C 13 22.481 0.300 . 2 . . . . 103 LEU CD1 . 11091 1 1236 . 1 1 103 103 LEU CD2 C 13 25.601 0.300 . 2 . . . . 103 LEU CD2 . 11091 1 1237 . 1 1 103 103 LEU CG C 13 27.082 0.300 . 1 . . . . 103 LEU CG . 11091 1 1238 . 1 1 103 103 LEU N N 15 125.932 0.300 . 1 . . . . 103 LEU N . 11091 1 1239 . 1 1 104 104 THR H H 1 8.067 0.030 . 1 . . . . 104 THR H . 11091 1 1240 . 1 1 104 104 THR HA H 1 5.313 0.030 . 1 . . . . 104 THR HA . 11091 1 1241 . 1 1 104 104 THR HB H 1 3.900 0.030 . 1 . . . . 104 THR HB . 11091 1 1242 . 1 1 104 104 THR HG21 H 1 0.996 0.030 . 1 . . . . 104 THR HG2 . 11091 1 1243 . 1 1 104 104 THR HG22 H 1 0.996 0.030 . 1 . . . . 104 THR HG2 . 11091 1 1244 . 1 1 104 104 THR HG23 H 1 0.996 0.030 . 1 . . . . 104 THR HG2 . 11091 1 1245 . 1 1 104 104 THR C C 13 173.106 0.300 . 1 . . . . 104 THR C . 11091 1 1246 . 1 1 104 104 THR CA C 13 61.971 0.300 . 1 . . . . 104 THR CA . 11091 1 1247 . 1 1 104 104 THR CB C 13 69.959 0.300 . 1 . . . . 104 THR CB . 11091 1 1248 . 1 1 104 104 THR CG2 C 13 21.505 0.300 . 1 . . . . 104 THR CG2 . 11091 1 1249 . 1 1 104 104 THR N N 15 123.479 0.300 . 1 . . . . 104 THR N . 11091 1 1250 . 1 1 105 105 ILE H H 1 9.279 0.030 . 1 . . . . 105 ILE H . 11091 1 1251 . 1 1 105 105 ILE HA H 1 5.234 0.030 . 1 . . . . 105 ILE HA . 11091 1 1252 . 1 1 105 105 ILE HB H 1 1.452 0.030 . 1 . . . . 105 ILE HB . 11091 1 1253 . 1 1 105 105 ILE HD11 H 1 0.208 0.030 . 1 . . . . 105 ILE HD1 . 11091 1 1254 . 1 1 105 105 ILE HD12 H 1 0.208 0.030 . 1 . . . . 105 ILE HD1 . 11091 1 1255 . 1 1 105 105 ILE HD13 H 1 0.208 0.030 . 1 . . . . 105 ILE HD1 . 11091 1 1256 . 1 1 105 105 ILE HG12 H 1 0.791 0.030 . 2 . . . . 105 ILE HG12 . 11091 1 1257 . 1 1 105 105 ILE HG13 H 1 1.528 0.030 . 2 . . . . 105 ILE HG13 . 11091 1 1258 . 1 1 105 105 ILE HG21 H 1 0.802 0.030 . 1 . . . . 105 ILE HG2 . 11091 1 1259 . 1 1 105 105 ILE HG22 H 1 0.802 0.030 . 1 . . . . 105 ILE HG2 . 11091 1 1260 . 1 1 105 105 ILE HG23 H 1 0.802 0.030 . 1 . . . . 105 ILE HG2 . 11091 1 1261 . 1 1 105 105 ILE C C 13 173.897 0.300 . 1 . . . . 105 ILE C . 11091 1 1262 . 1 1 105 105 ILE CA C 13 60.057 0.300 . 1 . . . . 105 ILE CA . 11091 1 1263 . 1 1 105 105 ILE CB C 13 39.992 0.300 . 1 . . . . 105 ILE CB . 11091 1 1264 . 1 1 105 105 ILE CD1 C 13 13.576 0.300 . 1 . . . . 105 ILE CD1 . 11091 1 1265 . 1 1 105 105 ILE CG1 C 13 27.128 0.300 . 1 . . . . 105 ILE CG1 . 11091 1 1266 . 1 1 105 105 ILE CG2 C 13 17.685 0.300 . 1 . . . . 105 ILE CG2 . 11091 1 1267 . 1 1 105 105 ILE N N 15 125.555 0.300 . 1 . . . . 105 ILE N . 11091 1 1268 . 1 1 106 106 ARG H H 1 8.933 0.030 . 1 . . . . 106 ARG H . 11091 1 1269 . 1 1 106 106 ARG HA H 1 4.933 0.030 . 1 . . . . 106 ARG HA . 11091 1 1270 . 1 1 106 106 ARG HB2 H 1 1.503 0.030 . 2 . . . . 106 ARG HB2 . 11091 1 1271 . 1 1 106 106 ARG HB3 H 1 1.713 0.030 . 2 . . . . 106 ARG HB3 . 11091 1 1272 . 1 1 106 106 ARG HD2 H 1 3.038 0.030 . 2 . . . . 106 ARG HD2 . 11091 1 1273 . 1 1 106 106 ARG HD3 H 1 2.984 0.030 . 2 . . . . 106 ARG HD3 . 11091 1 1274 . 1 1 106 106 ARG HE H 1 7.289 0.030 . 1 . . . . 106 ARG HE . 11091 1 1275 . 1 1 106 106 ARG HG2 H 1 1.441 0.030 . 2 . . . . 106 ARG HG2 . 11091 1 1276 . 1 1 106 106 ARG HG3 H 1 1.383 0.030 . 2 . . . . 106 ARG HG3 . 11091 1 1277 . 1 1 106 106 ARG C C 13 172.851 0.300 . 1 . . . . 106 ARG C . 11091 1 1278 . 1 1 106 106 ARG CA C 13 53.231 0.300 . 1 . . . . 106 ARG CA . 11091 1 1279 . 1 1 106 106 ARG CB C 13 35.521 0.300 . 1 . . . . 106 ARG CB . 11091 1 1280 . 1 1 106 106 ARG CD C 13 44.022 0.300 . 1 . . . . 106 ARG CD . 11091 1 1281 . 1 1 106 106 ARG CG C 13 26.595 0.300 . 1 . . . . 106 ARG CG . 11091 1 1282 . 1 1 106 106 ARG N N 15 126.337 0.300 . 1 . . . . 106 ARG N . 11091 1 1283 . 1 1 106 106 ARG NE N 15 83.476 0.300 . 1 . . . . 106 ARG NE . 11091 1 1284 . 1 1 107 107 GLY H H 1 6.546 0.030 . 1 . . . . 107 GLY H . 11091 1 1285 . 1 1 107 107 GLY HA2 H 1 3.350 0.030 . 2 . . . . 107 GLY HA2 . 11091 1 1286 . 1 1 107 107 GLY HA3 H 1 3.801 0.030 . 2 . . . . 107 GLY HA3 . 11091 1 1287 . 1 1 107 107 GLY C C 13 171.257 0.300 . 1 . . . . 107 GLY C . 11091 1 1288 . 1 1 107 107 GLY CA C 13 45.842 0.300 . 1 . . . . 107 GLY CA . 11091 1 1289 . 1 1 107 107 GLY N N 15 105.251 0.300 . 1 . . . . 107 GLY N . 11091 1 1290 . 1 1 108 108 CYS H H 1 8.241 0.030 . 1 . . . . 108 CYS H . 11091 1 1291 . 1 1 108 108 CYS HA H 1 4.863 0.030 . 1 . . . . 108 CYS HA . 11091 1 1292 . 1 1 108 108 CYS HB2 H 1 2.460 0.030 . 2 . . . . 108 CYS HB2 . 11091 1 1293 . 1 1 108 108 CYS HB3 H 1 2.761 0.030 . 2 . . . . 108 CYS HB3 . 11091 1 1294 . 1 1 108 108 CYS C C 13 172.978 0.300 . 1 . . . . 108 CYS C . 11091 1 1295 . 1 1 108 108 CYS CA C 13 57.840 0.300 . 1 . . . . 108 CYS CA . 11091 1 1296 . 1 1 108 108 CYS CB C 13 28.964 0.300 . 1 . . . . 108 CYS CB . 11091 1 1297 . 1 1 108 108 CYS N N 15 120.081 0.300 . 1 . . . . 108 CYS N . 11091 1 1298 . 1 1 109 109 VAL H H 1 8.181 0.030 . 1 . . . . 109 VAL H . 11091 1 1299 . 1 1 109 109 VAL HA H 1 5.091 0.030 . 1 . . . . 109 VAL HA . 11091 1 1300 . 1 1 109 109 VAL HB H 1 2.697 0.030 . 1 . . . . 109 VAL HB . 11091 1 1301 . 1 1 109 109 VAL HG11 H 1 0.740 0.030 . 1 . . . . 109 VAL HG1 . 11091 1 1302 . 1 1 109 109 VAL HG12 H 1 0.740 0.030 . 1 . . . . 109 VAL HG1 . 11091 1 1303 . 1 1 109 109 VAL HG13 H 1 0.740 0.030 . 1 . . . . 109 VAL HG1 . 11091 1 1304 . 1 1 109 109 VAL HG21 H 1 1.211 0.030 . 1 . . . . 109 VAL HG2 . 11091 1 1305 . 1 1 109 109 VAL HG22 H 1 1.211 0.030 . 1 . . . . 109 VAL HG2 . 11091 1 1306 . 1 1 109 109 VAL HG23 H 1 1.211 0.030 . 1 . . . . 109 VAL HG2 . 11091 1 1307 . 1 1 109 109 VAL C C 13 177.071 0.300 . 1 . . . . 109 VAL C . 11091 1 1308 . 1 1 109 109 VAL CA C 13 61.253 0.300 . 1 . . . . 109 VAL CA . 11091 1 1309 . 1 1 109 109 VAL CB C 13 32.098 0.300 . 1 . . . . 109 VAL CB . 11091 1 1310 . 1 1 109 109 VAL CG1 C 13 21.483 0.300 . 2 . . . . 109 VAL CG1 . 11091 1 1311 . 1 1 109 109 VAL CG2 C 13 21.466 0.300 . 2 . . . . 109 VAL CG2 . 11091 1 1312 . 1 1 109 109 VAL N N 15 130.145 0.300 . 1 . . . . 109 VAL N . 11091 1 1313 . 1 1 110 110 ILE H H 1 9.085 0.030 . 1 . . . . 110 ILE H . 11091 1 1314 . 1 1 110 110 ILE HA H 1 4.697 0.030 . 1 . . . . 110 ILE HA . 11091 1 1315 . 1 1 110 110 ILE HB H 1 1.972 0.030 . 1 . . . . 110 ILE HB . 11091 1 1316 . 1 1 110 110 ILE HD11 H 1 0.702 0.030 . 1 . . . . 110 ILE HD1 . 11091 1 1317 . 1 1 110 110 ILE HD12 H 1 0.702 0.030 . 1 . . . . 110 ILE HD1 . 11091 1 1318 . 1 1 110 110 ILE HD13 H 1 0.702 0.030 . 1 . . . . 110 ILE HD1 . 11091 1 1319 . 1 1 110 110 ILE HG12 H 1 0.707 0.030 . 2 . . . . 110 ILE HG12 . 11091 1 1320 . 1 1 110 110 ILE HG13 H 1 1.255 0.030 . 2 . . . . 110 ILE HG13 . 11091 1 1321 . 1 1 110 110 ILE HG21 H 1 0.896 0.030 . 1 . . . . 110 ILE HG2 . 11091 1 1322 . 1 1 110 110 ILE HG22 H 1 0.896 0.030 . 1 . . . . 110 ILE HG2 . 11091 1 1323 . 1 1 110 110 ILE HG23 H 1 0.896 0.030 . 1 . . . . 110 ILE HG2 . 11091 1 1324 . 1 1 110 110 ILE C C 13 174.256 0.300 . 1 . . . . 110 ILE C . 11091 1 1325 . 1 1 110 110 ILE CA C 13 59.529 0.300 . 1 . . . . 110 ILE CA . 11091 1 1326 . 1 1 110 110 ILE CB C 13 41.390 0.300 . 1 . . . . 110 ILE CB . 11091 1 1327 . 1 1 110 110 ILE CD1 C 13 13.985 0.300 . 1 . . . . 110 ILE CD1 . 11091 1 1328 . 1 1 110 110 ILE CG1 C 13 25.952 0.300 . 1 . . . . 110 ILE CG1 . 11091 1 1329 . 1 1 110 110 ILE CG2 C 13 18.940 0.300 . 1 . . . . 110 ILE CG2 . 11091 1 1330 . 1 1 110 110 ILE N N 15 124.689 0.300 . 1 . . . . 110 ILE N . 11091 1 1331 . 1 1 111 111 GLY H H 1 8.396 0.030 . 1 . . . . 111 GLY H . 11091 1 1332 . 1 1 111 111 GLY HA2 H 1 3.726 0.030 . 2 . . . . 111 GLY HA2 . 11091 1 1333 . 1 1 111 111 GLY HA3 H 1 4.360 0.030 . 2 . . . . 111 GLY HA3 . 11091 1 1334 . 1 1 111 111 GLY C C 13 170.785 0.300 . 1 . . . . 111 GLY C . 11091 1 1335 . 1 1 111 111 GLY CA C 13 44.012 0.300 . 1 . . . . 111 GLY CA . 11091 1 1336 . 1 1 111 111 GLY N N 15 109.618 0.300 . 1 . . . . 111 GLY N . 11091 1 1337 . 1 1 112 112 PRO HA H 1 4.365 0.030 . 1 . . . . 112 PRO HA . 11091 1 1338 . 1 1 112 112 PRO HB2 H 1 2.153 0.030 . 2 . . . . 112 PRO HB2 . 11091 1 1339 . 1 1 112 112 PRO HB3 H 1 1.940 0.030 . 2 . . . . 112 PRO HB3 . 11091 1 1340 . 1 1 112 112 PRO HD2 H 1 3.634 0.030 . 2 . . . . 112 PRO HD2 . 11091 1 1341 . 1 1 112 112 PRO HD3 H 1 3.528 0.030 . 2 . . . . 112 PRO HD3 . 11091 1 1342 . 1 1 112 112 PRO HG2 H 1 1.999 0.030 . 1 . . . . 112 PRO HG2 . 11091 1 1343 . 1 1 112 112 PRO HG3 H 1 1.999 0.030 . 1 . . . . 112 PRO HG3 . 11091 1 1344 . 1 1 112 112 PRO CA C 13 64.682 0.300 . 1 . . . . 112 PRO CA . 11091 1 1345 . 1 1 112 112 PRO CB C 13 32.409 0.300 . 1 . . . . 112 PRO CB . 11091 1 1346 . 1 1 112 112 PRO CD C 13 49.527 0.300 . 1 . . . . 112 PRO CD . 11091 1 1347 . 1 1 112 112 PRO CG C 13 27.140 0.300 . 1 . . . . 112 PRO CG . 11091 1 stop_ save_