data_11268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11268 _Entry.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain in Mouse Ubiquitin-like Protein SB132 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11268 2 T. Tomizawa . . . 11268 3 S. Koshiba . . . 11268 4 M. Inoue . . . 11268 5 T. Kigawa . . . 11268 6 S. Yokoyama . . . 11268 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)' . 11268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 11268 '15N chemical shifts' 99 11268 '1H chemical shifts' 723 11268 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-18 2010-08-09 original author . 11268 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X1M 'BMRB Entry Tracking System' 11268 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11268 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain in Mouse Ubiquitin-like Protein SB132 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11268 1 2 T. Tomizawa . . . 11268 1 3 S. Koshiba . . . 11268 1 4 M. Inoue . . . 11268 1 5 T. Kigawa . . . 11268 1 6 S. Yokoyama . . . 11268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11268 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-like protein SB132' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11268 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 1x1m . . . . . . 11268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11268 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMSLSDWHLAVKLA DQPLAPKSILQLPETELGEY SLGGYSISFLKQLIAGKLQE SVPDPELIDLIYCGRKLKDD QTLDFYGIQPGSTVHVLRKS WSGPSSG ; _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 107 _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 1X1M . "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In Mouse Ubiquitin-Like Protein Sb132" . . . . . 100.00 107 100.00 100.00 3.30e-68 . . . . 11268 1 2 no DBJ BAB26033 . "unnamed protein product [Mus musculus]" . . . . . 90.65 380 96.91 96.91 1.07e-57 . . . . 11268 1 3 no DBJ BAE32627 . "unnamed protein product [Mus musculus]" . . . . . 90.65 380 97.94 97.94 1.18e-58 . . . . 11268 1 4 no GB AAH16456 . "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Mus musculus]" . . . . . 90.65 380 97.94 97.94 1.18e-58 . . . . 11268 1 5 no GB AAH79221 . "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Rattus norvegicus]" . . . . . 90.65 381 97.94 97.94 1.07e-58 . . . . 11268 1 6 no GB AAH94047 . "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Mus musculus]" . . . . . 90.65 380 97.94 97.94 1.18e-58 . . . . 11268 1 7 no GB AAI12530 . "Ubiquitin-like 7 (bone marrow stromal cell-derived) [Bos taurus]" . . . . . 90.65 380 96.91 97.94 3.34e-58 . . . . 11268 1 8 no GB AAX08728 . "bone marrow stromal cell-derived ubiquitin-like protein [Bos taurus]" . . . . . 90.65 380 96.91 97.94 3.34e-58 . . . . 11268 1 9 no REF NP_001004247 . "ubiquitin-like protein 7 [Rattus norvegicus]" . . . . . 90.65 381 97.94 97.94 1.07e-58 . . . . 11268 1 10 no REF NP_001015573 . "ubiquitin-like protein 7 [Bos taurus]" . . . . . 90.65 380 96.91 97.94 3.34e-58 . . . . 11268 1 11 no REF NP_001116345 . "ubiquitin-like protein 7 [Mus musculus]" . . . . . 90.65 380 97.94 97.94 1.17e-58 . . . . 11268 1 12 no REF NP_081362 . "ubiquitin-like protein 7 [Mus musculus]" . . . . . 90.65 380 97.94 97.94 1.17e-58 . . . . 11268 1 13 no REF XP_001135544 . "PREDICTED: ubiquitin-like protein 7 isoform X3 [Pan troglodytes]" . . . . . 90.65 380 96.91 97.94 3.49e-58 . . . . 11268 1 14 no SP Q2KIS3 . "RecName: Full=Ubiquitin-like protein 7" . . . . . 90.65 380 96.91 97.94 3.34e-58 . . . . 11268 1 15 no SP Q91W67 . "RecName: Full=Ubiquitin-like protein 7" . . . . . 90.65 380 97.94 97.94 1.17e-58 . . . . 11268 1 16 no TPG DAA17515 . "TPA: ubiquitin-like protein 7 [Bos taurus]" . . . . . 90.65 380 96.91 97.94 3.34e-58 . . . . 11268 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11268 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 . 11268 1 2 . SER . 11268 1 3 . SER . 11268 1 4 . GLY . 11268 1 5 . SER . 11268 1 6 . SER . 11268 1 7 . GLY . 11268 1 8 . MET . 11268 1 9 . SER . 11268 1 10 . LEU . 11268 1 11 . SER . 11268 1 12 . ASP . 11268 1 13 . TRP . 11268 1 14 . HIS . 11268 1 15 . LEU . 11268 1 16 . ALA . 11268 1 17 . VAL . 11268 1 18 . LYS . 11268 1 19 . LEU . 11268 1 20 . ALA . 11268 1 21 . ASP . 11268 1 22 . GLN . 11268 1 23 . PRO . 11268 1 24 . LEU . 11268 1 25 . ALA . 11268 1 26 . PRO . 11268 1 27 . LYS . 11268 1 28 . SER . 11268 1 29 . ILE . 11268 1 30 . LEU . 11268 1 31 . GLN . 11268 1 32 . LEU . 11268 1 33 . PRO . 11268 1 34 . GLU . 11268 1 35 . THR . 11268 1 36 . GLU . 11268 1 37 . LEU . 11268 1 38 . GLY . 11268 1 39 . GLU . 11268 1 40 . TYR . 11268 1 41 . SER . 11268 1 42 . LEU . 11268 1 43 . GLY . 11268 1 44 . GLY . 11268 1 45 . TYR . 11268 1 46 . SER . 11268 1 47 . ILE . 11268 1 48 . SER . 11268 1 49 . PHE . 11268 1 50 . LEU . 11268 1 51 . LYS . 11268 1 52 . GLN . 11268 1 53 . LEU . 11268 1 54 . ILE . 11268 1 55 . ALA . 11268 1 56 . GLY . 11268 1 57 . LYS . 11268 1 58 . LEU . 11268 1 59 . GLN . 11268 1 60 . GLU . 11268 1 61 . SER . 11268 1 62 . VAL . 11268 1 63 . PRO . 11268 1 64 . ASP . 11268 1 65 . PRO . 11268 1 66 . GLU . 11268 1 67 . LEU . 11268 1 68 . ILE . 11268 1 69 . ASP . 11268 1 70 . LEU . 11268 1 71 . ILE . 11268 1 72 . TYR . 11268 1 73 . CYS . 11268 1 74 . GLY . 11268 1 75 . ARG . 11268 1 76 . LYS . 11268 1 77 . LEU . 11268 1 78 . LYS . 11268 1 79 . ASP . 11268 1 80 . ASP . 11268 1 81 . GLN . 11268 1 82 . THR . 11268 1 83 . LEU . 11268 1 84 . ASP . 11268 1 85 . PHE . 11268 1 86 . TYR . 11268 1 87 . GLY . 11268 1 88 . ILE . 11268 1 89 . GLN . 11268 1 90 . PRO . 11268 1 91 . GLY . 11268 1 92 . SER . 11268 1 93 . THR . 11268 1 94 . VAL . 11268 1 95 . HIS . 11268 1 96 . VAL . 11268 1 97 . LEU . 11268 1 98 . ARG . 11268 1 99 . LYS . 11268 1 100 . SER . 11268 1 101 . TRP . 11268 1 102 . SER . 11268 1 103 . GLY . 11268 1 104 . PRO . 11268 1 105 . SER . 11268 1 106 . SER . 11268 1 107 . GLY . 11268 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 11268 1 . SER 2 2 11268 1 . SER 3 3 11268 1 . GLY 4 4 11268 1 . SER 5 5 11268 1 . SER 6 6 11268 1 . GLY 7 7 11268 1 . MET 8 8 11268 1 . SER 9 9 11268 1 . LEU 10 10 11268 1 . SER 11 11 11268 1 . ASP 12 12 11268 1 . TRP 13 13 11268 1 . HIS 14 14 11268 1 . LEU 15 15 11268 1 . ALA 16 16 11268 1 . VAL 17 17 11268 1 . LYS 18 18 11268 1 . LEU 19 19 11268 1 . ALA 20 20 11268 1 . ASP 21 21 11268 1 . GLN 22 22 11268 1 . PRO 23 23 11268 1 . LEU 24 24 11268 1 . ALA 25 25 11268 1 . PRO 26 26 11268 1 . LYS 27 27 11268 1 . SER 28 28 11268 1 . ILE 29 29 11268 1 . LEU 30 30 11268 1 . GLN 31 31 11268 1 . LEU 32 32 11268 1 . PRO 33 33 11268 1 . GLU 34 34 11268 1 . THR 35 35 11268 1 . GLU 36 36 11268 1 . LEU 37 37 11268 1 . GLY 38 38 11268 1 . GLU 39 39 11268 1 . TYR 40 40 11268 1 . SER 41 41 11268 1 . LEU 42 42 11268 1 . GLY 43 43 11268 1 . GLY 44 44 11268 1 . TYR 45 45 11268 1 . SER 46 46 11268 1 . ILE 47 47 11268 1 . SER 48 48 11268 1 . PHE 49 49 11268 1 . LEU 50 50 11268 1 . LYS 51 51 11268 1 . GLN 52 52 11268 1 . LEU 53 53 11268 1 . ILE 54 54 11268 1 . ALA 55 55 11268 1 . GLY 56 56 11268 1 . LYS 57 57 11268 1 . LEU 58 58 11268 1 . GLN 59 59 11268 1 . GLU 60 60 11268 1 . SER 61 61 11268 1 . VAL 62 62 11268 1 . PRO 63 63 11268 1 . ASP 64 64 11268 1 . PRO 65 65 11268 1 . GLU 66 66 11268 1 . LEU 67 67 11268 1 . ILE 68 68 11268 1 . ASP 69 69 11268 1 . LEU 70 70 11268 1 . ILE 71 71 11268 1 . TYR 72 72 11268 1 . CYS 73 73 11268 1 . GLY 74 74 11268 1 . ARG 75 75 11268 1 . LYS 76 76 11268 1 . LEU 77 77 11268 1 . LYS 78 78 11268 1 . ASP 79 79 11268 1 . ASP 80 80 11268 1 . GLN 81 81 11268 1 . THR 82 82 11268 1 . LEU 83 83 11268 1 . ASP 84 84 11268 1 . PHE 85 85 11268 1 . TYR 86 86 11268 1 . GLY 87 87 11268 1 . ILE 88 88 11268 1 . GLN 89 89 11268 1 . PRO 90 90 11268 1 . GLY 91 91 11268 1 . SER 92 92 11268 1 . THR 93 93 11268 1 . VAL 94 94 11268 1 . HIS 95 95 11268 1 . VAL 96 96 11268 1 . LEU 97 97 11268 1 . ARG 98 98 11268 1 . LYS 99 99 11268 1 . SER 100 100 11268 1 . TRP 101 101 11268 1 . SER 102 102 11268 1 . GLY 103 103 11268 1 . PRO 104 104 11268 1 . SER 105 105 11268 1 . SER 106 106 11268 1 . GLY 107 107 11268 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 11268 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11268 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 11268 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050111-20 . . . . . . 11268 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11268 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.35mM protein U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.35 . . mM . . . . 11268 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11268 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11268 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11268 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11268 1 6 H2O . . . . . . solvent 90 . . % . . . . 11268 1 7 D2O . . . . . . solvent 10 . . % . . . . 11268 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 11268 _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' 100 0.1 mM 11268 1 pH 7.0 0.05 pH 11268 1 pressure 1 0.001 atm 11268 1 temperature 298.0 0.1 K 11268 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11268 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11268 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11268 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11268 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11268 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11268 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11268 _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.' . . 11268 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11268 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11268 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11268 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11268 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11268 _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.' . . 11268 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11268 5 'structure solution' 11268 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 11268 _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 11268 _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 . . . 11268 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 11268 _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 . . . . . . . . . . . . . . . . 11268 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11268 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 11268 _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 . . . . . . . . . 11268 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11268 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11268 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 11268 _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 11268 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11268 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 . . 11268 1 2 $NMRPipe . . 11268 1 3 $NMRview . . 11268 1 4 $Kujira . . 11268 1 5 $CYANA . . 11268 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 4.442 0.030 . 1 . . . . 6 SER HA . 11268 1 2 . 1 1 6 6 SER HB2 H 1 3.884 0.030 . 1 . . . . 6 SER HB2 . 11268 1 3 . 1 1 6 6 SER HB3 H 1 3.884 0.030 . 1 . . . . 6 SER HB3 . 11268 1 4 . 1 1 6 6 SER C C 13 175.060 0.300 . 1 . . . . 6 SER C . 11268 1 5 . 1 1 6 6 SER CA C 13 58.749 0.300 . 1 . . . . 6 SER CA . 11268 1 6 . 1 1 6 6 SER CB C 13 63.910 0.300 . 1 . . . . 6 SER CB . 11268 1 7 . 1 1 7 7 GLY H H 1 8.399 0.030 . 1 . . . . 7 GLY H . 11268 1 8 . 1 1 7 7 GLY HA2 H 1 3.938 0.030 . 1 . . . . 7 GLY HA2 . 11268 1 9 . 1 1 7 7 GLY HA3 H 1 3.938 0.030 . 1 . . . . 7 GLY HA3 . 11268 1 10 . 1 1 7 7 GLY C C 13 173.983 0.300 . 1 . . . . 7 GLY C . 11268 1 11 . 1 1 7 7 GLY CA C 13 45.418 0.300 . 1 . . . . 7 GLY CA . 11268 1 12 . 1 1 7 7 GLY N N 15 110.673 0.300 . 1 . . . . 7 GLY N . 11268 1 13 . 1 1 8 8 MET H H 1 8.110 0.030 . 1 . . . . 8 MET H . 11268 1 14 . 1 1 8 8 MET HA H 1 4.480 0.030 . 1 . . . . 8 MET HA . 11268 1 15 . 1 1 8 8 MET HB2 H 1 1.942 0.030 . 2 . . . . 8 MET HB2 . 11268 1 16 . 1 1 8 8 MET HB3 H 1 2.008 0.030 . 2 . . . . 8 MET HB3 . 11268 1 17 . 1 1 8 8 MET HE1 H 1 1.974 0.030 . 1 . . . . 8 MET HE . 11268 1 18 . 1 1 8 8 MET HE2 H 1 1.974 0.030 . 1 . . . . 8 MET HE . 11268 1 19 . 1 1 8 8 MET HE3 H 1 1.974 0.030 . 1 . . . . 8 MET HE . 11268 1 20 . 1 1 8 8 MET HG2 H 1 2.463 0.030 . 1 . . . . 8 MET HG2 . 11268 1 21 . 1 1 8 8 MET HG3 H 1 2.463 0.030 . 1 . . . . 8 MET HG3 . 11268 1 22 . 1 1 8 8 MET C C 13 176.114 0.300 . 1 . . . . 8 MET C . 11268 1 23 . 1 1 8 8 MET CA C 13 55.408 0.300 . 1 . . . . 8 MET CA . 11268 1 24 . 1 1 8 8 MET CB C 13 33.164 0.300 . 1 . . . . 8 MET CB . 11268 1 25 . 1 1 8 8 MET CE C 13 16.963 0.300 . 1 . . . . 8 MET CE . 11268 1 26 . 1 1 8 8 MET CG C 13 31.931 0.300 . 1 . . . . 8 MET CG . 11268 1 27 . 1 1 8 8 MET N N 15 119.743 0.300 . 1 . . . . 8 MET N . 11268 1 28 . 1 1 9 9 SER H H 1 8.529 0.030 . 1 . . . . 9 SER H . 11268 1 29 . 1 1 9 9 SER HA H 1 4.492 0.030 . 1 . . . . 9 SER HA . 11268 1 30 . 1 1 9 9 SER HB2 H 1 3.846 0.030 . 1 . . . . 9 SER HB2 . 11268 1 31 . 1 1 9 9 SER HB3 H 1 3.846 0.030 . 1 . . . . 9 SER HB3 . 11268 1 32 . 1 1 9 9 SER C C 13 174.668 0.300 . 1 . . . . 9 SER C . 11268 1 33 . 1 1 9 9 SER CA C 13 57.905 0.300 . 1 . . . . 9 SER CA . 11268 1 34 . 1 1 9 9 SER CB C 13 63.910 0.300 . 1 . . . . 9 SER CB . 11268 1 35 . 1 1 9 9 SER N N 15 117.950 0.300 . 1 . . . . 9 SER N . 11268 1 36 . 1 1 10 10 LEU H H 1 8.474 0.030 . 1 . . . . 10 LEU H . 11268 1 37 . 1 1 10 10 LEU HA H 1 4.329 0.030 . 1 . . . . 10 LEU HA . 11268 1 38 . 1 1 10 10 LEU HB2 H 1 1.630 0.030 . 2 . . . . 10 LEU HB2 . 11268 1 39 . 1 1 10 10 LEU HB3 H 1 1.529 0.030 . 2 . . . . 10 LEU HB3 . 11268 1 40 . 1 1 10 10 LEU HD11 H 1 0.830 0.030 . 1 . . . . 10 LEU HD1 . 11268 1 41 . 1 1 10 10 LEU HD12 H 1 0.830 0.030 . 1 . . . . 10 LEU HD1 . 11268 1 42 . 1 1 10 10 LEU HD13 H 1 0.830 0.030 . 1 . . . . 10 LEU HD1 . 11268 1 43 . 1 1 10 10 LEU HD21 H 1 0.762 0.030 . 1 . . . . 10 LEU HD2 . 11268 1 44 . 1 1 10 10 LEU HD22 H 1 0.762 0.030 . 1 . . . . 10 LEU HD2 . 11268 1 45 . 1 1 10 10 LEU HD23 H 1 0.762 0.030 . 1 . . . . 10 LEU HD2 . 11268 1 46 . 1 1 10 10 LEU HG H 1 1.603 0.030 . 1 . . . . 10 LEU HG . 11268 1 47 . 1 1 10 10 LEU C C 13 177.779 0.300 . 1 . . . . 10 LEU C . 11268 1 48 . 1 1 10 10 LEU CA C 13 55.759 0.300 . 1 . . . . 10 LEU CA . 11268 1 49 . 1 1 10 10 LEU CB C 13 42.289 0.300 . 1 . . . . 10 LEU CB . 11268 1 50 . 1 1 10 10 LEU CG C 13 26.842 0.300 . 1 . . . . 10 LEU CG . 11268 1 51 . 1 1 10 10 LEU N N 15 124.525 0.300 . 1 . . . . 10 LEU N . 11268 1 52 . 1 1 11 11 SER H H 1 8.300 0.030 . 1 . . . . 11 SER H . 11268 1 53 . 1 1 11 11 SER HA H 1 4.388 0.030 . 1 . . . . 11 SER HA . 11268 1 54 . 1 1 11 11 SER HB2 H 1 3.902 0.030 . 2 . . . . 11 SER HB2 . 11268 1 55 . 1 1 11 11 SER HB3 H 1 3.761 0.030 . 2 . . . . 11 SER HB3 . 11268 1 56 . 1 1 11 11 SER C C 13 174.276 0.300 . 1 . . . . 11 SER C . 11268 1 57 . 1 1 11 11 SER CA C 13 58.960 0.300 . 1 . . . . 11 SER CA . 11268 1 58 . 1 1 11 11 SER CB C 13 64.075 0.300 . 1 . . . . 11 SER CB . 11268 1 59 . 1 1 11 11 SER N N 15 115.659 0.300 . 1 . . . . 11 SER N . 11268 1 60 . 1 1 12 12 ASP H H 1 8.175 0.030 . 1 . . . . 12 ASP H . 11268 1 61 . 1 1 12 12 ASP HA H 1 4.638 0.030 . 1 . . . . 12 ASP HA . 11268 1 62 . 1 1 12 12 ASP HB2 H 1 2.680 0.030 . 2 . . . . 12 ASP HB2 . 11268 1 63 . 1 1 12 12 ASP HB3 H 1 2.581 0.030 . 2 . . . . 12 ASP HB3 . 11268 1 64 . 1 1 12 12 ASP C C 13 175.869 0.300 . 1 . . . . 12 ASP C . 11268 1 65 . 1 1 12 12 ASP CA C 13 54.704 0.300 . 1 . . . . 12 ASP CA . 11268 1 66 . 1 1 12 12 ASP CB C 13 41.303 0.300 . 1 . . . . 12 ASP CB . 11268 1 67 . 1 1 12 12 ASP N N 15 120.603 0.300 . 1 . . . . 12 ASP N . 11268 1 68 . 1 1 13 13 TRP H H 1 8.410 0.030 . 1 . . . . 13 TRP H . 11268 1 69 . 1 1 13 13 TRP HA H 1 4.468 0.030 . 1 . . . . 13 TRP HA . 11268 1 70 . 1 1 13 13 TRP HB2 H 1 3.310 0.030 . 2 . . . . 13 TRP HB2 . 11268 1 71 . 1 1 13 13 TRP HB3 H 1 3.080 0.030 . 2 . . . . 13 TRP HB3 . 11268 1 72 . 1 1 13 13 TRP HD1 H 1 7.119 0.030 . 1 . . . . 13 TRP HD1 . 11268 1 73 . 1 1 13 13 TRP HE1 H 1 9.743 0.030 . 1 . . . . 13 TRP HE1 . 11268 1 74 . 1 1 13 13 TRP HE3 H 1 7.282 0.030 . 1 . . . . 13 TRP HE3 . 11268 1 75 . 1 1 13 13 TRP HH2 H 1 7.046 0.030 . 1 . . . . 13 TRP HH2 . 11268 1 76 . 1 1 13 13 TRP HZ2 H 1 7.372 0.030 . 1 . . . . 13 TRP HZ2 . 11268 1 77 . 1 1 13 13 TRP HZ3 H 1 6.825 0.030 . 1 . . . . 13 TRP HZ3 . 11268 1 78 . 1 1 13 13 TRP C C 13 174.252 0.300 . 1 . . . . 13 TRP C . 11268 1 79 . 1 1 13 13 TRP CA C 13 57.202 0.300 . 1 . . . . 13 TRP CA . 11268 1 80 . 1 1 13 13 TRP CB C 13 29.629 0.300 . 1 . . . . 13 TRP CB . 11268 1 81 . 1 1 13 13 TRP CD1 C 13 126.721 0.300 . 1 . . . . 13 TRP CD1 . 11268 1 82 . 1 1 13 13 TRP CE3 C 13 120.421 0.300 . 1 . . . . 13 TRP CE3 . 11268 1 83 . 1 1 13 13 TRP CH2 C 13 124.441 0.300 . 1 . . . . 13 TRP CH2 . 11268 1 84 . 1 1 13 13 TRP CZ2 C 13 114.507 0.300 . 1 . . . . 13 TRP CZ2 . 11268 1 85 . 1 1 13 13 TRP CZ3 C 13 121.673 0.300 . 1 . . . . 13 TRP CZ3 . 11268 1 86 . 1 1 13 13 TRP N N 15 123.226 0.300 . 1 . . . . 13 TRP N . 11268 1 87 . 1 1 13 13 TRP NE1 N 15 127.851 0.300 . 1 . . . . 13 TRP NE1 . 11268 1 88 . 1 1 14 14 HIS H H 1 7.536 0.030 . 1 . . . . 14 HIS H . 11268 1 89 . 1 1 14 14 HIS HA H 1 5.456 0.030 . 1 . . . . 14 HIS HA . 11268 1 90 . 1 1 14 14 HIS HB2 H 1 2.890 0.030 . 2 . . . . 14 HIS HB2 . 11268 1 91 . 1 1 14 14 HIS HB3 H 1 2.949 0.030 . 2 . . . . 14 HIS HB3 . 11268 1 92 . 1 1 14 14 HIS HD2 H 1 6.510 0.030 . 1 . . . . 14 HIS HD2 . 11268 1 93 . 1 1 14 14 HIS HE1 H 1 7.723 0.030 . 1 . . . . 14 HIS HE1 . 11268 1 94 . 1 1 14 14 HIS C C 13 173.419 0.300 . 1 . . . . 14 HIS C . 11268 1 95 . 1 1 14 14 HIS CA C 13 54.755 0.300 . 1 . . . . 14 HIS CA . 11268 1 96 . 1 1 14 14 HIS CB C 13 32.342 0.300 . 1 . . . . 14 HIS CB . 11268 1 97 . 1 1 14 14 HIS CD2 C 13 117.790 0.300 . 1 . . . . 14 HIS CD2 . 11268 1 98 . 1 1 14 14 HIS CE1 C 13 138.635 0.300 . 1 . . . . 14 HIS CE1 . 11268 1 99 . 1 1 14 14 HIS N N 15 119.976 0.300 . 1 . . . . 14 HIS N . 11268 1 100 . 1 1 15 15 LEU H H 1 8.844 0.030 . 1 . . . . 15 LEU H . 11268 1 101 . 1 1 15 15 LEU HA H 1 4.680 0.030 . 1 . . . . 15 LEU HA . 11268 1 102 . 1 1 15 15 LEU HB2 H 1 1.304 0.030 . 2 . . . . 15 LEU HB2 . 11268 1 103 . 1 1 15 15 LEU HB3 H 1 1.438 0.030 . 2 . . . . 15 LEU HB3 . 11268 1 104 . 1 1 15 15 LEU HD11 H 1 0.818 0.030 . 1 . . . . 15 LEU HD1 . 11268 1 105 . 1 1 15 15 LEU HD12 H 1 0.818 0.030 . 1 . . . . 15 LEU HD1 . 11268 1 106 . 1 1 15 15 LEU HD13 H 1 0.818 0.030 . 1 . . . . 15 LEU HD1 . 11268 1 107 . 1 1 15 15 LEU HD21 H 1 0.713 0.030 . 1 . . . . 15 LEU HD2 . 11268 1 108 . 1 1 15 15 LEU HD22 H 1 0.713 0.030 . 1 . . . . 15 LEU HD2 . 11268 1 109 . 1 1 15 15 LEU HD23 H 1 0.713 0.030 . 1 . . . . 15 LEU HD2 . 11268 1 110 . 1 1 15 15 LEU HG H 1 1.489 0.030 . 1 . . . . 15 LEU HG . 11268 1 111 . 1 1 15 15 LEU C C 13 174.472 0.300 . 1 . . . . 15 LEU C . 11268 1 112 . 1 1 15 15 LEU CA C 13 53.578 0.300 . 1 . . . . 15 LEU CA . 11268 1 113 . 1 1 15 15 LEU CB C 13 46.400 0.300 . 1 . . . . 15 LEU CB . 11268 1 114 . 1 1 15 15 LEU CD1 C 13 25.025 0.300 . 2 . . . . 15 LEU CD1 . 11268 1 115 . 1 1 15 15 LEU CD2 C 13 26.601 0.300 . 2 . . . . 15 LEU CD2 . 11268 1 116 . 1 1 15 15 LEU CG C 13 27.092 0.300 . 1 . . . . 15 LEU CG . 11268 1 117 . 1 1 15 15 LEU N N 15 119.742 0.300 . 1 . . . . 15 LEU N . 11268 1 118 . 1 1 16 16 ALA H H 1 8.836 0.030 . 1 . . . . 16 ALA H . 11268 1 119 . 1 1 16 16 ALA HA H 1 5.177 0.030 . 1 . . . . 16 ALA HA . 11268 1 120 . 1 1 16 16 ALA HB1 H 1 1.282 0.030 . 1 . . . . 16 ALA HB . 11268 1 121 . 1 1 16 16 ALA HB2 H 1 1.282 0.030 . 1 . . . . 16 ALA HB . 11268 1 122 . 1 1 16 16 ALA HB3 H 1 1.282 0.030 . 1 . . . . 16 ALA HB . 11268 1 123 . 1 1 16 16 ALA C C 13 175.771 0.300 . 1 . . . . 16 ALA C . 11268 1 124 . 1 1 16 16 ALA CA C 13 50.483 0.300 . 1 . . . . 16 ALA CA . 11268 1 125 . 1 1 16 16 ALA CB C 13 20.591 0.300 . 1 . . . . 16 ALA CB . 11268 1 126 . 1 1 16 16 ALA N N 15 125.060 0.300 . 1 . . . . 16 ALA N . 11268 1 127 . 1 1 17 17 VAL H H 1 9.055 0.030 . 1 . . . . 17 VAL H . 11268 1 128 . 1 1 17 17 VAL HA H 1 4.830 0.030 . 1 . . . . 17 VAL HA . 11268 1 129 . 1 1 17 17 VAL HB H 1 1.788 0.030 . 1 . . . . 17 VAL HB . 11268 1 130 . 1 1 17 17 VAL HG11 H 1 0.675 0.030 . 1 . . . . 17 VAL HG1 . 11268 1 131 . 1 1 17 17 VAL HG12 H 1 0.675 0.030 . 1 . . . . 17 VAL HG1 . 11268 1 132 . 1 1 17 17 VAL HG13 H 1 0.675 0.030 . 1 . . . . 17 VAL HG1 . 11268 1 133 . 1 1 17 17 VAL HG21 H 1 0.668 0.030 . 1 . . . . 17 VAL HG2 . 11268 1 134 . 1 1 17 17 VAL HG22 H 1 0.668 0.030 . 1 . . . . 17 VAL HG2 . 11268 1 135 . 1 1 17 17 VAL HG23 H 1 0.668 0.030 . 1 . . . . 17 VAL HG2 . 11268 1 136 . 1 1 17 17 VAL C C 13 175.207 0.300 . 1 . . . . 17 VAL C . 11268 1 137 . 1 1 17 17 VAL CA C 13 60.754 0.300 . 1 . . . . 17 VAL CA . 11268 1 138 . 1 1 17 17 VAL CB C 13 33.904 0.300 . 1 . . . . 17 VAL CB . 11268 1 139 . 1 1 17 17 VAL CG1 C 13 21.984 0.300 . 2 . . . . 17 VAL CG1 . 11268 1 140 . 1 1 17 17 VAL CG2 C 13 20.960 0.300 . 2 . . . . 17 VAL CG2 . 11268 1 141 . 1 1 17 17 VAL N N 15 120.724 0.300 . 1 . . . . 17 VAL N . 11268 1 142 . 1 1 18 18 LYS H H 1 8.466 0.030 . 1 . . . . 18 LYS H . 11268 1 143 . 1 1 18 18 LYS HA H 1 4.718 0.030 . 1 . . . . 18 LYS HA . 11268 1 144 . 1 1 18 18 LYS HB2 H 1 1.557 0.030 . 2 . . . . 18 LYS HB2 . 11268 1 145 . 1 1 18 18 LYS HB3 H 1 0.928 0.030 . 2 . . . . 18 LYS HB3 . 11268 1 146 . 1 1 18 18 LYS HD2 H 1 1.495 0.030 . 2 . . . . 18 LYS HD2 . 11268 1 147 . 1 1 18 18 LYS HD3 H 1 1.580 0.030 . 2 . . . . 18 LYS HD3 . 11268 1 148 . 1 1 18 18 LYS HE2 H 1 3.001 0.030 . 1 . . . . 18 LYS HE2 . 11268 1 149 . 1 1 18 18 LYS HE3 H 1 3.001 0.030 . 1 . . . . 18 LYS HE3 . 11268 1 150 . 1 1 18 18 LYS HG2 H 1 1.127 0.030 . 1 . . . . 18 LYS HG2 . 11268 1 151 . 1 1 18 18 LYS HG3 H 1 1.127 0.030 . 1 . . . . 18 LYS HG3 . 11268 1 152 . 1 1 18 18 LYS C C 13 174.913 0.300 . 1 . . . . 18 LYS C . 11268 1 153 . 1 1 18 18 LYS CA C 13 53.543 0.300 . 1 . . . . 18 LYS CA . 11268 1 154 . 1 1 18 18 LYS CB C 13 35.466 0.300 . 1 . . . . 18 LYS CB . 11268 1 155 . 1 1 18 18 LYS CD C 13 28.805 0.300 . 1 . . . . 18 LYS CD . 11268 1 156 . 1 1 18 18 LYS CE C 13 42.289 0.300 . 1 . . . . 18 LYS CE . 11268 1 157 . 1 1 18 18 LYS CG C 13 25.272 0.300 . 1 . . . . 18 LYS CG . 11268 1 158 . 1 1 18 18 LYS N N 15 126.856 0.300 . 1 . . . . 18 LYS N . 11268 1 159 . 1 1 19 19 LEU H H 1 9.083 0.030 . 1 . . . . 19 LEU H . 11268 1 160 . 1 1 19 19 LEU HA H 1 4.605 0.030 . 1 . . . . 19 LEU HA . 11268 1 161 . 1 1 19 19 LEU HB2 H 1 1.830 0.030 . 2 . . . . 19 LEU HB2 . 11268 1 162 . 1 1 19 19 LEU HB3 H 1 1.514 0.030 . 2 . . . . 19 LEU HB3 . 11268 1 163 . 1 1 19 19 LEU HD11 H 1 0.683 0.030 . 1 . . . . 19 LEU HD1 . 11268 1 164 . 1 1 19 19 LEU HD12 H 1 0.683 0.030 . 1 . . . . 19 LEU HD1 . 11268 1 165 . 1 1 19 19 LEU HD13 H 1 0.683 0.030 . 1 . . . . 19 LEU HD1 . 11268 1 166 . 1 1 19 19 LEU HD21 H 1 0.856 0.030 . 1 . . . . 19 LEU HD2 . 11268 1 167 . 1 1 19 19 LEU HD22 H 1 0.856 0.030 . 1 . . . . 19 LEU HD2 . 11268 1 168 . 1 1 19 19 LEU HD23 H 1 0.856 0.030 . 1 . . . . 19 LEU HD2 . 11268 1 169 . 1 1 19 19 LEU HG H 1 1.675 0.030 . 1 . . . . 19 LEU HG . 11268 1 170 . 1 1 19 19 LEU C C 13 177.461 0.300 . 1 . . . . 19 LEU C . 11268 1 171 . 1 1 19 19 LEU CA C 13 54.071 0.300 . 1 . . . . 19 LEU CA . 11268 1 172 . 1 1 19 19 LEU CB C 13 40.542 0.300 . 1 . . . . 19 LEU CB . 11268 1 173 . 1 1 19 19 LEU CD1 C 13 22.559 0.300 . 2 . . . . 19 LEU CD1 . 11268 1 174 . 1 1 19 19 LEU CD2 C 13 25.129 0.300 . 2 . . . . 19 LEU CD2 . 11268 1 175 . 1 1 19 19 LEU CG C 13 26.846 0.300 . 1 . . . . 19 LEU CG . 11268 1 176 . 1 1 19 19 LEU N N 15 125.876 0.300 . 1 . . . . 19 LEU N . 11268 1 177 . 1 1 20 20 ALA H H 1 8.673 0.030 . 1 . . . . 20 ALA H . 11268 1 178 . 1 1 20 20 ALA HA H 1 4.089 0.030 . 1 . . . . 20 ALA HA . 11268 1 179 . 1 1 20 20 ALA HB1 H 1 1.393 0.030 . 1 . . . . 20 ALA HB . 11268 1 180 . 1 1 20 20 ALA HB2 H 1 1.393 0.030 . 1 . . . . 20 ALA HB . 11268 1 181 . 1 1 20 20 ALA HB3 H 1 1.393 0.030 . 1 . . . . 20 ALA HB . 11268 1 182 . 1 1 20 20 ALA C C 13 177.853 0.300 . 1 . . . . 20 ALA C . 11268 1 183 . 1 1 20 20 ALA CA C 13 54.634 0.300 . 1 . . . . 20 ALA CA . 11268 1 184 . 1 1 20 20 ALA CB C 13 19.284 0.300 . 1 . . . . 20 ALA CB . 11268 1 185 . 1 1 20 20 ALA N N 15 127.849 0.300 . 1 . . . . 20 ALA N . 11268 1 186 . 1 1 21 21 ASP H H 1 8.463 0.030 . 1 . . . . 21 ASP H . 11268 1 187 . 1 1 21 21 ASP HA H 1 4.538 0.030 . 1 . . . . 21 ASP HA . 11268 1 188 . 1 1 21 21 ASP HB2 H 1 2.581 0.030 . 2 . . . . 21 ASP HB2 . 11268 1 189 . 1 1 21 21 ASP HB3 H 1 2.713 0.030 . 2 . . . . 21 ASP HB3 . 11268 1 190 . 1 1 21 21 ASP C C 13 175.526 0.300 . 1 . . . . 21 ASP C . 11268 1 191 . 1 1 21 21 ASP CA C 13 53.965 0.300 . 1 . . . . 21 ASP CA . 11268 1 192 . 1 1 21 21 ASP CB C 13 40.645 0.300 . 1 . . . . 21 ASP CB . 11268 1 193 . 1 1 21 21 ASP N N 15 112.271 0.300 . 1 . . . . 21 ASP N . 11268 1 194 . 1 1 22 22 GLN H H 1 7.241 0.030 . 1 . . . . 22 GLN H . 11268 1 195 . 1 1 22 22 GLN HA H 1 4.896 0.030 . 1 . . . . 22 GLN HA . 11268 1 196 . 1 1 22 22 GLN HB2 H 1 2.150 0.030 . 2 . . . . 22 GLN HB2 . 11268 1 197 . 1 1 22 22 GLN HB3 H 1 1.834 0.030 . 2 . . . . 22 GLN HB3 . 11268 1 198 . 1 1 22 22 GLN HE21 H 1 6.798 0.030 . 2 . . . . 22 GLN HE21 . 11268 1 199 . 1 1 22 22 GLN HE22 H 1 7.579 0.030 . 2 . . . . 22 GLN HE22 . 11268 1 200 . 1 1 22 22 GLN HG2 H 1 2.241 0.030 . 1 . . . . 22 GLN HG2 . 11268 1 201 . 1 1 22 22 GLN HG3 H 1 2.241 0.030 . 1 . . . . 22 GLN HG3 . 11268 1 202 . 1 1 22 22 GLN C C 13 174.003 0.300 . 1 . . . . 22 GLN C . 11268 1 203 . 1 1 22 22 GLN CA C 13 53.412 0.300 . 1 . . . . 22 GLN CA . 11268 1 204 . 1 1 22 22 GLN CB C 13 29.876 0.300 . 1 . . . . 22 GLN CB . 11268 1 205 . 1 1 22 22 GLN CG C 13 33.221 0.300 . 1 . . . . 22 GLN CG . 11268 1 206 . 1 1 22 22 GLN N N 15 117.253 0.300 . 1 . . . . 22 GLN N . 11268 1 207 . 1 1 22 22 GLN NE2 N 15 112.253 0.300 . 1 . . . . 22 GLN NE2 . 11268 1 208 . 1 1 23 23 PRO HA H 1 4.345 0.030 . 1 . . . . 23 PRO HA . 11268 1 209 . 1 1 23 23 PRO HB2 H 1 2.342 0.030 . 2 . . . . 23 PRO HB2 . 11268 1 210 . 1 1 23 23 PRO HB3 H 1 1.933 0.030 . 2 . . . . 23 PRO HB3 . 11268 1 211 . 1 1 23 23 PRO HD2 H 1 3.444 0.030 . 2 . . . . 23 PRO HD2 . 11268 1 212 . 1 1 23 23 PRO HD3 H 1 3.665 0.030 . 2 . . . . 23 PRO HD3 . 11268 1 213 . 1 1 23 23 PRO HG2 H 1 1.932 0.030 . 1 . . . . 23 PRO HG2 . 11268 1 214 . 1 1 23 23 PRO HG3 H 1 1.932 0.030 . 1 . . . . 23 PRO HG3 . 11268 1 215 . 1 1 23 23 PRO C C 13 177.828 0.300 . 1 . . . . 23 PRO C . 11268 1 216 . 1 1 23 23 PRO CA C 13 64.924 0.300 . 1 . . . . 23 PRO CA . 11268 1 217 . 1 1 23 23 PRO CB C 13 32.177 0.300 . 1 . . . . 23 PRO CB . 11268 1 218 . 1 1 23 23 PRO CD C 13 50.346 0.300 . 1 . . . . 23 PRO CD . 11268 1 219 . 1 1 23 23 PRO CG C 13 27.245 0.300 . 1 . . . . 23 PRO CG . 11268 1 220 . 1 1 24 24 LEU H H 1 8.652 0.030 . 1 . . . . 24 LEU H . 11268 1 221 . 1 1 24 24 LEU HA H 1 4.328 0.030 . 1 . . . . 24 LEU HA . 11268 1 222 . 1 1 24 24 LEU HB2 H 1 1.587 0.030 . 2 . . . . 24 LEU HB2 . 11268 1 223 . 1 1 24 24 LEU HB3 H 1 1.733 0.030 . 2 . . . . 24 LEU HB3 . 11268 1 224 . 1 1 24 24 LEU HD11 H 1 0.866 0.030 . 1 . . . . 24 LEU HD1 . 11268 1 225 . 1 1 24 24 LEU HD12 H 1 0.866 0.030 . 1 . . . . 24 LEU HD1 . 11268 1 226 . 1 1 24 24 LEU HD13 H 1 0.866 0.030 . 1 . . . . 24 LEU HD1 . 11268 1 227 . 1 1 24 24 LEU HD21 H 1 0.803 0.030 . 1 . . . . 24 LEU HD2 . 11268 1 228 . 1 1 24 24 LEU HD22 H 1 0.803 0.030 . 1 . . . . 24 LEU HD2 . 11268 1 229 . 1 1 24 24 LEU HD23 H 1 0.803 0.030 . 1 . . . . 24 LEU HD2 . 11268 1 230 . 1 1 24 24 LEU HG H 1 1.562 0.030 . 1 . . . . 24 LEU HG . 11268 1 231 . 1 1 24 24 LEU C C 13 177.657 0.300 . 1 . . . . 24 LEU C . 11268 1 232 . 1 1 24 24 LEU CA C 13 54.669 0.300 . 1 . . . . 24 LEU CA . 11268 1 233 . 1 1 24 24 LEU CB C 13 40.974 0.300 . 1 . . . . 24 LEU CB . 11268 1 234 . 1 1 24 24 LEU CD1 C 13 25.107 0.300 . 2 . . . . 24 LEU CD1 . 11268 1 235 . 1 1 24 24 LEU CD2 C 13 22.395 0.300 . 2 . . . . 24 LEU CD2 . 11268 1 236 . 1 1 24 24 LEU CG C 13 27.087 0.300 . 1 . . . . 24 LEU CG . 11268 1 237 . 1 1 24 24 LEU N N 15 117.200 0.300 . 1 . . . . 24 LEU N . 11268 1 238 . 1 1 25 25 ALA H H 1 7.670 0.030 . 1 . . . . 25 ALA H . 11268 1 239 . 1 1 25 25 ALA HA H 1 4.532 0.030 . 1 . . . . 25 ALA HA . 11268 1 240 . 1 1 25 25 ALA HB1 H 1 1.454 0.030 . 1 . . . . 25 ALA HB . 11268 1 241 . 1 1 25 25 ALA HB2 H 1 1.454 0.030 . 1 . . . . 25 ALA HB . 11268 1 242 . 1 1 25 25 ALA HB3 H 1 1.454 0.030 . 1 . . . . 25 ALA HB . 11268 1 243 . 1 1 25 25 ALA C C 13 175.383 0.300 . 1 . . . . 25 ALA C . 11268 1 244 . 1 1 25 25 ALA CA C 13 50.694 0.300 . 1 . . . . 25 ALA CA . 11268 1 245 . 1 1 25 25 ALA CB C 13 18.112 0.300 . 1 . . . . 25 ALA CB . 11268 1 246 . 1 1 25 25 ALA N N 15 124.782 0.300 . 1 . . . . 25 ALA N . 11268 1 247 . 1 1 26 26 PRO HA H 1 4.452 0.030 . 1 . . . . 26 PRO HA . 11268 1 248 . 1 1 26 26 PRO HB2 H 1 1.899 0.030 . 2 . . . . 26 PRO HB2 . 11268 1 249 . 1 1 26 26 PRO HB3 H 1 2.299 0.030 . 2 . . . . 26 PRO HB3 . 11268 1 250 . 1 1 26 26 PRO HD2 H 1 3.636 0.030 . 2 . . . . 26 PRO HD2 . 11268 1 251 . 1 1 26 26 PRO HD3 H 1 3.839 0.030 . 2 . . . . 26 PRO HD3 . 11268 1 252 . 1 1 26 26 PRO HG2 H 1 2.006 0.030 . 1 . . . . 26 PRO HG2 . 11268 1 253 . 1 1 26 26 PRO HG3 H 1 2.006 0.030 . 1 . . . . 26 PRO HG3 . 11268 1 254 . 1 1 26 26 PRO C C 13 177.216 0.300 . 1 . . . . 26 PRO C . 11268 1 255 . 1 1 26 26 PRO CA C 13 62.490 0.300 . 1 . . . . 26 PRO CA . 11268 1 256 . 1 1 26 26 PRO CB C 13 32.240 0.300 . 1 . . . . 26 PRO CB . 11268 1 257 . 1 1 26 26 PRO CD C 13 50.592 0.300 . 1 . . . . 26 PRO CD . 11268 1 258 . 1 1 26 26 PRO CG C 13 27.333 0.300 . 1 . . . . 26 PRO CG . 11268 1 259 . 1 1 27 27 LYS H H 1 8.495 0.030 . 1 . . . . 27 LYS H . 11268 1 260 . 1 1 27 27 LYS HA H 1 4.427 0.030 . 1 . . . . 27 LYS HA . 11268 1 261 . 1 1 27 27 LYS HB2 H 1 1.587 0.030 . 2 . . . . 27 LYS HB2 . 11268 1 262 . 1 1 27 27 LYS HB3 H 1 1.650 0.030 . 2 . . . . 27 LYS HB3 . 11268 1 263 . 1 1 27 27 LYS HD2 H 1 1.563 0.030 . 2 . . . . 27 LYS HD2 . 11268 1 264 . 1 1 27 27 LYS HD3 H 1 1.517 0.030 . 2 . . . . 27 LYS HD3 . 11268 1 265 . 1 1 27 27 LYS HE2 H 1 2.883 0.030 . 2 . . . . 27 LYS HE2 . 11268 1 266 . 1 1 27 27 LYS HE3 H 1 2.767 0.030 . 2 . . . . 27 LYS HE3 . 11268 1 267 . 1 1 27 27 LYS HG2 H 1 1.286 0.030 . 1 . . . . 27 LYS HG2 . 11268 1 268 . 1 1 27 27 LYS HG3 H 1 1.286 0.030 . 1 . . . . 27 LYS HG3 . 11268 1 269 . 1 1 27 27 LYS C C 13 176.065 0.300 . 1 . . . . 27 LYS C . 11268 1 270 . 1 1 27 27 LYS CA C 13 56.463 0.300 . 1 . . . . 27 LYS CA . 11268 1 271 . 1 1 27 27 LYS CB C 13 33.164 0.300 . 1 . . . . 27 LYS CB . 11268 1 272 . 1 1 27 27 LYS CD C 13 29.786 0.300 . 1 . . . . 27 LYS CD . 11268 1 273 . 1 1 27 27 LYS CE C 13 41.808 0.300 . 1 . . . . 27 LYS CE . 11268 1 274 . 1 1 27 27 LYS CG C 13 24.807 0.300 . 1 . . . . 27 LYS CG . 11268 1 275 . 1 1 27 27 LYS N N 15 121.096 0.300 . 1 . . . . 27 LYS N . 11268 1 276 . 1 1 28 28 SER H H 1 8.640 0.030 . 1 . . . . 28 SER H . 11268 1 277 . 1 1 28 28 SER HA H 1 4.707 0.030 . 1 . . . . 28 SER HA . 11268 1 278 . 1 1 28 28 SER HB2 H 1 3.611 0.030 . 2 . . . . 28 SER HB2 . 11268 1 279 . 1 1 28 28 SER HB3 H 1 3.680 0.030 . 2 . . . . 28 SER HB3 . 11268 1 280 . 1 1 28 28 SER C C 13 173.003 0.300 . 1 . . . . 28 SER C . 11268 1 281 . 1 1 28 28 SER CA C 13 57.905 0.300 . 1 . . . . 28 SER CA . 11268 1 282 . 1 1 28 28 SER CB C 13 65.029 0.300 . 1 . . . . 28 SER CB . 11268 1 283 . 1 1 28 28 SER N N 15 118.629 0.300 . 1 . . . . 28 SER N . 11268 1 284 . 1 1 29 29 ILE H H 1 8.688 0.030 . 1 . . . . 29 ILE H . 11268 1 285 . 1 1 29 29 ILE HA H 1 4.543 0.030 . 1 . . . . 29 ILE HA . 11268 1 286 . 1 1 29 29 ILE HB H 1 1.849 0.030 . 1 . . . . 29 ILE HB . 11268 1 287 . 1 1 29 29 ILE HD11 H 1 0.604 0.030 . 1 . . . . 29 ILE HD1 . 11268 1 288 . 1 1 29 29 ILE HD12 H 1 0.604 0.030 . 1 . . . . 29 ILE HD1 . 11268 1 289 . 1 1 29 29 ILE HD13 H 1 0.604 0.030 . 1 . . . . 29 ILE HD1 . 11268 1 290 . 1 1 29 29 ILE HG12 H 1 1.259 0.030 . 2 . . . . 29 ILE HG12 . 11268 1 291 . 1 1 29 29 ILE HG13 H 1 1.324 0.030 . 2 . . . . 29 ILE HG13 . 11268 1 292 . 1 1 29 29 ILE HG21 H 1 0.619 0.030 . 1 . . . . 29 ILE HG2 . 11268 1 293 . 1 1 29 29 ILE HG22 H 1 0.619 0.030 . 1 . . . . 29 ILE HG2 . 11268 1 294 . 1 1 29 29 ILE HG23 H 1 0.619 0.030 . 1 . . . . 29 ILE HG2 . 11268 1 295 . 1 1 29 29 ILE C C 13 175.109 0.300 . 1 . . . . 29 ILE C . 11268 1 296 . 1 1 29 29 ILE CA C 13 59.523 0.300 . 1 . . . . 29 ILE CA . 11268 1 297 . 1 1 29 29 ILE CB C 13 37.153 0.300 . 1 . . . . 29 ILE CB . 11268 1 298 . 1 1 29 29 ILE CD1 C 13 10.570 0.300 . 1 . . . . 29 ILE CD1 . 11268 1 299 . 1 1 29 29 ILE CG1 C 13 26.842 0.300 . 1 . . . . 29 ILE CG1 . 11268 1 300 . 1 1 29 29 ILE CG2 C 13 17.626 0.300 . 1 . . . . 29 ILE CG2 . 11268 1 301 . 1 1 29 29 ILE N N 15 124.188 0.300 . 1 . . . . 29 ILE N . 11268 1 302 . 1 1 30 30 LEU H H 1 9.162 0.030 . 1 . . . . 30 LEU H . 11268 1 303 . 1 1 30 30 LEU HA H 1 4.585 0.030 . 1 . . . . 30 LEU HA . 11268 1 304 . 1 1 30 30 LEU HB2 H 1 1.623 0.030 . 2 . . . . 30 LEU HB2 . 11268 1 305 . 1 1 30 30 LEU HB3 H 1 1.174 0.030 . 2 . . . . 30 LEU HB3 . 11268 1 306 . 1 1 30 30 LEU HD11 H 1 0.709 0.030 . 1 . . . . 30 LEU HD1 . 11268 1 307 . 1 1 30 30 LEU HD12 H 1 0.709 0.030 . 1 . . . . 30 LEU HD1 . 11268 1 308 . 1 1 30 30 LEU HD13 H 1 0.709 0.030 . 1 . . . . 30 LEU HD1 . 11268 1 309 . 1 1 30 30 LEU HD21 H 1 0.623 0.030 . 1 . . . . 30 LEU HD2 . 11268 1 310 . 1 1 30 30 LEU HD22 H 1 0.623 0.030 . 1 . . . . 30 LEU HD2 . 11268 1 311 . 1 1 30 30 LEU HD23 H 1 0.623 0.030 . 1 . . . . 30 LEU HD2 . 11268 1 312 . 1 1 30 30 LEU HG H 1 1.377 0.030 . 1 . . . . 30 LEU HG . 11268 1 313 . 1 1 30 30 LEU C C 13 174.938 0.300 . 1 . . . . 30 LEU C . 11268 1 314 . 1 1 30 30 LEU CA C 13 53.192 0.300 . 1 . . . . 30 LEU CA . 11268 1 315 . 1 1 30 30 LEU CB C 13 44.729 0.300 . 1 . . . . 30 LEU CB . 11268 1 316 . 1 1 30 30 LEU CD1 C 13 25.125 0.300 . 2 . . . . 30 LEU CD1 . 11268 1 317 . 1 1 30 30 LEU CD2 C 13 26.111 0.300 . 2 . . . . 30 LEU CD2 . 11268 1 318 . 1 1 30 30 LEU CG C 13 27.043 0.300 . 1 . . . . 30 LEU CG . 11268 1 319 . 1 1 30 30 LEU N N 15 130.095 0.300 . 1 . . . . 30 LEU N . 11268 1 320 . 1 1 31 31 GLN H H 1 8.655 0.030 . 1 . . . . 31 GLN H . 11268 1 321 . 1 1 31 31 GLN HA H 1 4.530 0.030 . 1 . . . . 31 GLN HA . 11268 1 322 . 1 1 31 31 GLN HB2 H 1 1.945 0.030 . 2 . . . . 31 GLN HB2 . 11268 1 323 . 1 1 31 31 GLN HB3 H 1 2.088 0.030 . 2 . . . . 31 GLN HB3 . 11268 1 324 . 1 1 31 31 GLN HE21 H 1 6.904 0.030 . 2 . . . . 31 GLN HE21 . 11268 1 325 . 1 1 31 31 GLN HE22 H 1 7.715 0.030 . 2 . . . . 31 GLN HE22 . 11268 1 326 . 1 1 31 31 GLN HG2 H 1 2.309 0.030 . 2 . . . . 31 GLN HG2 . 11268 1 327 . 1 1 31 31 GLN HG3 H 1 2.264 0.030 . 2 . . . . 31 GLN HG3 . 11268 1 328 . 1 1 31 31 GLN C C 13 175.550 0.300 . 1 . . . . 31 GLN C . 11268 1 329 . 1 1 31 31 GLN CA C 13 55.302 0.300 . 1 . . . . 31 GLN CA . 11268 1 330 . 1 1 31 31 GLN CB C 13 29.786 0.300 . 1 . . . . 31 GLN CB . 11268 1 331 . 1 1 31 31 GLN CG C 13 33.986 0.300 . 1 . . . . 31 GLN CG . 11268 1 332 . 1 1 31 31 GLN N N 15 125.157 0.300 . 1 . . . . 31 GLN N . 11268 1 333 . 1 1 31 31 GLN NE2 N 15 112.499 0.300 . 1 . . . . 31 GLN NE2 . 11268 1 334 . 1 1 32 32 LEU H H 1 8.342 0.030 . 1 . . . . 32 LEU H . 11268 1 335 . 1 1 32 32 LEU HA H 1 4.476 0.030 . 1 . . . . 32 LEU HA . 11268 1 336 . 1 1 32 32 LEU HB2 H 1 1.365 0.030 . 2 . . . . 32 LEU HB2 . 11268 1 337 . 1 1 32 32 LEU HB3 H 1 1.181 0.030 . 2 . . . . 32 LEU HB3 . 11268 1 338 . 1 1 32 32 LEU HD11 H 1 0.472 0.030 . 1 . . . . 32 LEU HD1 . 11268 1 339 . 1 1 32 32 LEU HD12 H 1 0.472 0.030 . 1 . . . . 32 LEU HD1 . 11268 1 340 . 1 1 32 32 LEU HD13 H 1 0.472 0.030 . 1 . . . . 32 LEU HD1 . 11268 1 341 . 1 1 32 32 LEU HD21 H 1 0.273 0.030 . 1 . . . . 32 LEU HD2 . 11268 1 342 . 1 1 32 32 LEU HD22 H 1 0.273 0.030 . 1 . . . . 32 LEU HD2 . 11268 1 343 . 1 1 32 32 LEU HD23 H 1 0.273 0.030 . 1 . . . . 32 LEU HD2 . 11268 1 344 . 1 1 32 32 LEU HG H 1 1.384 0.030 . 1 . . . . 32 LEU HG . 11268 1 345 . 1 1 32 32 LEU C C 13 174.535 0.300 . 1 . . . . 32 LEU C . 11268 1 346 . 1 1 32 32 LEU CA C 13 52.840 0.300 . 1 . . . . 32 LEU CA . 11268 1 347 . 1 1 32 32 LEU CB C 13 40.581 0.300 . 1 . . . . 32 LEU CB . 11268 1 348 . 1 1 32 32 LEU CD1 C 13 22.922 0.300 . 2 . . . . 32 LEU CD1 . 11268 1 349 . 1 1 32 32 LEU CD2 C 13 25.129 0.300 . 2 . . . . 32 LEU CD2 . 11268 1 350 . 1 1 32 32 LEU CG C 13 27.578 0.300 . 1 . . . . 32 LEU CG . 11268 1 351 . 1 1 32 32 LEU N N 15 125.365 0.300 . 1 . . . . 32 LEU N . 11268 1 352 . 1 1 33 33 PRO HA H 1 4.600 0.030 . 1 . . . . 33 PRO HA . 11268 1 353 . 1 1 33 33 PRO HB2 H 1 2.068 0.030 . 2 . . . . 33 PRO HB2 . 11268 1 354 . 1 1 33 33 PRO HB3 H 1 2.343 0.030 . 2 . . . . 33 PRO HB3 . 11268 1 355 . 1 1 33 33 PRO HD2 H 1 3.749 0.030 . 2 . . . . 33 PRO HD2 . 11268 1 356 . 1 1 33 33 PRO HD3 H 1 3.489 0.030 . 2 . . . . 33 PRO HD3 . 11268 1 357 . 1 1 33 33 PRO HG2 H 1 2.135 0.030 . 1 . . . . 33 PRO HG2 . 11268 1 358 . 1 1 33 33 PRO HG3 H 1 2.135 0.030 . 1 . . . . 33 PRO HG3 . 11268 1 359 . 1 1 33 33 PRO C C 13 176.750 0.300 . 1 . . . . 33 PRO C . 11268 1 360 . 1 1 33 33 PRO CA C 13 62.633 0.300 . 1 . . . . 33 PRO CA . 11268 1 361 . 1 1 33 33 PRO CB C 13 32.177 0.300 . 1 . . . . 33 PRO CB . 11268 1 362 . 1 1 33 33 PRO CD C 13 50.510 0.300 . 1 . . . . 33 PRO CD . 11268 1 363 . 1 1 33 33 PRO CG C 13 27.409 0.300 . 1 . . . . 33 PRO CG . 11268 1 364 . 1 1 34 34 GLU H H 1 8.668 0.030 . 1 . . . . 34 GLU H . 11268 1 365 . 1 1 34 34 GLU HA H 1 4.151 0.030 . 1 . . . . 34 GLU HA . 11268 1 366 . 1 1 34 34 GLU HB2 H 1 1.873 0.030 . 2 . . . . 34 GLU HB2 . 11268 1 367 . 1 1 34 34 GLU HB3 H 1 1.974 0.030 . 2 . . . . 34 GLU HB3 . 11268 1 368 . 1 1 34 34 GLU HG2 H 1 2.158 0.030 . 1 . . . . 34 GLU HG2 . 11268 1 369 . 1 1 34 34 GLU HG3 H 1 2.158 0.030 . 1 . . . . 34 GLU HG3 . 11268 1 370 . 1 1 34 34 GLU C C 13 176.824 0.300 . 1 . . . . 34 GLU C . 11268 1 371 . 1 1 34 34 GLU CA C 13 56.532 0.300 . 1 . . . . 34 GLU CA . 11268 1 372 . 1 1 34 34 GLU CB C 13 30.035 0.300 . 1 . . . . 34 GLU CB . 11268 1 373 . 1 1 34 34 GLU CG C 13 36.370 0.300 . 1 . . . . 34 GLU CG . 11268 1 374 . 1 1 34 34 GLU N N 15 122.049 0.300 . 1 . . . . 34 GLU N . 11268 1 375 . 1 1 35 35 THR H H 1 8.116 0.030 . 1 . . . . 35 THR H . 11268 1 376 . 1 1 35 35 THR HA H 1 4.399 0.030 . 1 . . . . 35 THR HA . 11268 1 377 . 1 1 35 35 THR HB H 1 4.266 0.030 . 1 . . . . 35 THR HB . 11268 1 378 . 1 1 35 35 THR HG21 H 1 1.036 0.030 . 1 . . . . 35 THR HG2 . 11268 1 379 . 1 1 35 35 THR HG22 H 1 1.036 0.030 . 1 . . . . 35 THR HG2 . 11268 1 380 . 1 1 35 35 THR HG23 H 1 1.036 0.030 . 1 . . . . 35 THR HG2 . 11268 1 381 . 1 1 35 35 THR C C 13 175.085 0.300 . 1 . . . . 35 THR C . 11268 1 382 . 1 1 35 35 THR CA C 13 61.218 0.300 . 1 . . . . 35 THR CA . 11268 1 383 . 1 1 35 35 THR CB C 13 70.222 0.300 . 1 . . . . 35 THR CB . 11268 1 384 . 1 1 35 35 THR CG2 C 13 21.483 0.300 . 1 . . . . 35 THR CG2 . 11268 1 385 . 1 1 35 35 THR N N 15 113.296 0.300 . 1 . . . . 35 THR N . 11268 1 386 . 1 1 36 36 GLU H H 1 8.511 0.030 . 1 . . . . 36 GLU H . 11268 1 387 . 1 1 36 36 GLU HA H 1 4.212 0.030 . 1 . . . . 36 GLU HA . 11268 1 388 . 1 1 36 36 GLU HB2 H 1 2.051 0.030 . 2 . . . . 36 GLU HB2 . 11268 1 389 . 1 1 36 36 GLU HB3 H 1 1.914 0.030 . 2 . . . . 36 GLU HB3 . 11268 1 390 . 1 1 36 36 GLU HG2 H 1 2.150 0.030 . 2 . . . . 36 GLU HG2 . 11268 1 391 . 1 1 36 36 GLU HG3 H 1 2.232 0.030 . 2 . . . . 36 GLU HG3 . 11268 1 392 . 1 1 36 36 GLU C C 13 176.677 0.300 . 1 . . . . 36 GLU C . 11268 1 393 . 1 1 36 36 GLU CA C 13 57.237 0.300 . 1 . . . . 36 GLU CA . 11268 1 394 . 1 1 36 36 GLU CB C 13 30.032 0.300 . 1 . . . . 36 GLU CB . 11268 1 395 . 1 1 36 36 GLU CG C 13 36.411 0.300 . 1 . . . . 36 GLU CG . 11268 1 396 . 1 1 36 36 GLU N N 15 121.682 0.300 . 1 . . . . 36 GLU N . 11268 1 397 . 1 1 37 37 LEU H H 1 8.028 0.030 . 1 . . . . 37 LEU H . 11268 1 398 . 1 1 37 37 LEU HA H 1 4.200 0.030 . 1 . . . . 37 LEU HA . 11268 1 399 . 1 1 37 37 LEU HB2 H 1 1.543 0.030 . 1 . . . . 37 LEU HB2 . 11268 1 400 . 1 1 37 37 LEU HB3 H 1 1.543 0.030 . 1 . . . . 37 LEU HB3 . 11268 1 401 . 1 1 37 37 LEU HD11 H 1 0.798 0.030 . 1 . . . . 37 LEU HD1 . 11268 1 402 . 1 1 37 37 LEU HD12 H 1 0.798 0.030 . 1 . . . . 37 LEU HD1 . 11268 1 403 . 1 1 37 37 LEU HD13 H 1 0.798 0.030 . 1 . . . . 37 LEU HD1 . 11268 1 404 . 1 1 37 37 LEU HD21 H 1 0.765 0.030 . 1 . . . . 37 LEU HD2 . 11268 1 405 . 1 1 37 37 LEU HD22 H 1 0.765 0.030 . 1 . . . . 37 LEU HD2 . 11268 1 406 . 1 1 37 37 LEU HD23 H 1 0.765 0.030 . 1 . . . . 37 LEU HD2 . 11268 1 407 . 1 1 37 37 LEU HG H 1 1.549 0.030 . 1 . . . . 37 LEU HG . 11268 1 408 . 1 1 37 37 LEU C C 13 177.755 0.300 . 1 . . . . 37 LEU C . 11268 1 409 . 1 1 37 37 LEU CA C 13 55.337 0.300 . 1 . . . . 37 LEU CA . 11268 1 410 . 1 1 37 37 LEU CB C 13 42.053 0.300 . 1 . . . . 37 LEU CB . 11268 1 411 . 1 1 37 37 LEU CD1 C 13 24.943 0.300 . 2 . . . . 37 LEU CD1 . 11268 1 412 . 1 1 37 37 LEU CD2 C 13 23.381 0.300 . 2 . . . . 37 LEU CD2 . 11268 1 413 . 1 1 37 37 LEU CG C 13 27.163 0.300 . 1 . . . . 37 LEU CG . 11268 1 414 . 1 1 37 37 LEU N N 15 120.138 0.300 . 1 . . . . 37 LEU N . 11268 1 415 . 1 1 38 38 GLY H H 1 8.106 0.030 . 1 . . . . 38 GLY H . 11268 1 416 . 1 1 38 38 GLY HA2 H 1 3.948 0.030 . 2 . . . . 38 GLY HA2 . 11268 1 417 . 1 1 38 38 GLY HA3 H 1 3.738 0.030 . 2 . . . . 38 GLY HA3 . 11268 1 418 . 1 1 38 38 GLY C C 13 174.221 0.300 . 1 . . . . 38 GLY C . 11268 1 419 . 1 1 38 38 GLY CA C 13 45.664 0.300 . 1 . . . . 38 GLY CA . 11268 1 420 . 1 1 38 38 GLY N N 15 109.227 0.300 . 1 . . . . 38 GLY N . 11268 1 421 . 1 1 39 39 GLU HA H 1 4.151 0.030 . 1 . . . . 39 GLU HA . 11268 1 422 . 1 1 39 39 GLU HB2 H 1 1.767 0.030 . 2 . . . . 39 GLU HB2 . 11268 1 423 . 1 1 39 39 GLU HB3 H 1 1.852 0.030 . 2 . . . . 39 GLU HB3 . 11268 1 424 . 1 1 39 39 GLU HG2 H 1 2.003 0.030 . 1 . . . . 39 GLU HG2 . 11268 1 425 . 1 1 39 39 GLU HG3 H 1 2.003 0.030 . 1 . . . . 39 GLU HG3 . 11268 1 426 . 1 1 39 39 GLU C C 13 175.942 0.300 . 1 . . . . 39 GLU C . 11268 1 427 . 1 1 39 39 GLU CA C 13 56.498 0.300 . 1 . . . . 39 GLU CA . 11268 1 428 . 1 1 39 39 GLU CB C 13 30.277 0.300 . 1 . . . . 39 GLU CB . 11268 1 429 . 1 1 39 39 GLU CG C 13 35.920 0.300 . 1 . . . . 39 GLU CG . 11268 1 430 . 1 1 40 40 TYR H H 1 8.076 0.030 . 1 . . . . 40 TYR H . 11268 1 431 . 1 1 40 40 TYR HA H 1 4.438 0.030 . 1 . . . . 40 TYR HA . 11268 1 432 . 1 1 40 40 TYR HB2 H 1 2.675 0.030 . 2 . . . . 40 TYR HB2 . 11268 1 433 . 1 1 40 40 TYR HB3 H 1 2.801 0.030 . 2 . . . . 40 TYR HB3 . 11268 1 434 . 1 1 40 40 TYR HD1 H 1 6.882 0.030 . 1 . . . . 40 TYR HD1 . 11268 1 435 . 1 1 40 40 TYR HD2 H 1 6.882 0.030 . 1 . . . . 40 TYR HD2 . 11268 1 436 . 1 1 40 40 TYR HE1 H 1 6.667 0.030 . 1 . . . . 40 TYR HE1 . 11268 1 437 . 1 1 40 40 TYR HE2 H 1 6.667 0.030 . 1 . . . . 40 TYR HE2 . 11268 1 438 . 1 1 40 40 TYR C C 13 175.501 0.300 . 1 . . . . 40 TYR C . 11268 1 439 . 1 1 40 40 TYR CA C 13 57.624 0.300 . 1 . . . . 40 TYR CA . 11268 1 440 . 1 1 40 40 TYR CB C 13 38.287 0.300 . 1 . . . . 40 TYR CB . 11268 1 441 . 1 1 40 40 TYR CD1 C 13 133.095 0.300 . 1 . . . . 40 TYR CD1 . 11268 1 442 . 1 1 40 40 TYR CD2 C 13 133.095 0.300 . 1 . . . . 40 TYR CD2 . 11268 1 443 . 1 1 40 40 TYR CE1 C 13 118.102 0.300 . 1 . . . . 40 TYR CE1 . 11268 1 444 . 1 1 40 40 TYR CE2 C 13 118.102 0.300 . 1 . . . . 40 TYR CE2 . 11268 1 445 . 1 1 40 40 TYR N N 15 119.866 0.300 . 1 . . . . 40 TYR N . 11268 1 446 . 1 1 41 41 SER H H 1 7.912 0.030 . 1 . . . . 41 SER H . 11268 1 447 . 1 1 41 41 SER HA H 1 4.442 0.030 . 1 . . . . 41 SER HA . 11268 1 448 . 1 1 41 41 SER HB2 H 1 3.716 0.030 . 2 . . . . 41 SER HB2 . 11268 1 449 . 1 1 41 41 SER HB3 H 1 3.822 0.030 . 2 . . . . 41 SER HB3 . 11268 1 450 . 1 1 41 41 SER C C 13 175.305 0.300 . 1 . . . . 41 SER C . 11268 1 451 . 1 1 41 41 SER CA C 13 57.588 0.300 . 1 . . . . 41 SER CA . 11268 1 452 . 1 1 41 41 SER CB C 13 63.992 0.300 . 1 . . . . 41 SER CB . 11268 1 453 . 1 1 41 41 SER N N 15 115.690 0.300 . 1 . . . . 41 SER N . 11268 1 454 . 1 1 42 42 LEU H H 1 8.058 0.030 . 1 . . . . 42 LEU H . 11268 1 455 . 1 1 42 42 LEU HA H 1 3.731 0.030 . 1 . . . . 42 LEU HA . 11268 1 456 . 1 1 42 42 LEU HB2 H 1 1.115 0.030 . 2 . . . . 42 LEU HB2 . 11268 1 457 . 1 1 42 42 LEU HB3 H 1 1.202 0.030 . 2 . . . . 42 LEU HB3 . 11268 1 458 . 1 1 42 42 LEU HD11 H 1 0.660 0.030 . 1 . . . . 42 LEU HD1 . 11268 1 459 . 1 1 42 42 LEU HD12 H 1 0.660 0.030 . 1 . . . . 42 LEU HD1 . 11268 1 460 . 1 1 42 42 LEU HD13 H 1 0.660 0.030 . 1 . . . . 42 LEU HD1 . 11268 1 461 . 1 1 42 42 LEU HD21 H 1 0.543 0.030 . 1 . . . . 42 LEU HD2 . 11268 1 462 . 1 1 42 42 LEU HD22 H 1 0.543 0.030 . 1 . . . . 42 LEU HD2 . 11268 1 463 . 1 1 42 42 LEU HD23 H 1 0.543 0.030 . 1 . . . . 42 LEU HD2 . 11268 1 464 . 1 1 42 42 LEU HG H 1 1.479 0.030 . 1 . . . . 42 LEU HG . 11268 1 465 . 1 1 42 42 LEU C C 13 177.167 0.300 . 1 . . . . 42 LEU C . 11268 1 466 . 1 1 42 42 LEU CA C 13 56.640 0.300 . 1 . . . . 42 LEU CA . 11268 1 467 . 1 1 42 42 LEU CB C 13 41.068 0.300 . 1 . . . . 42 LEU CB . 11268 1 468 . 1 1 42 42 LEU CD1 C 13 25.370 0.300 . 2 . . . . 42 LEU CD1 . 11268 1 469 . 1 1 42 42 LEU CD2 C 13 24.148 0.300 . 2 . . . . 42 LEU CD2 . 11268 1 470 . 1 1 42 42 LEU CG C 13 27.092 0.300 . 1 . . . . 42 LEU CG . 11268 1 471 . 1 1 42 42 LEU N N 15 124.581 0.300 . 1 . . . . 42 LEU N . 11268 1 472 . 1 1 43 43 GLY H H 1 7.982 0.030 . 1 . . . . 43 GLY H . 11268 1 473 . 1 1 43 43 GLY HA2 H 1 3.696 0.030 . 2 . . . . 43 GLY HA2 . 11268 1 474 . 1 1 43 43 GLY HA3 H 1 3.864 0.030 . 2 . . . . 43 GLY HA3 . 11268 1 475 . 1 1 43 43 GLY C C 13 174.374 0.300 . 1 . . . . 43 GLY C . 11268 1 476 . 1 1 43 43 GLY CA C 13 46.156 0.300 . 1 . . . . 43 GLY CA . 11268 1 477 . 1 1 43 43 GLY N N 15 104.059 0.300 . 1 . . . . 43 GLY N . 11268 1 478 . 1 1 44 44 GLY H H 1 7.657 0.030 . 1 . . . . 44 GLY H . 11268 1 479 . 1 1 44 44 GLY HA2 H 1 3.526 0.030 . 2 . . . . 44 GLY HA2 . 11268 1 480 . 1 1 44 44 GLY HA3 H 1 4.112 0.030 . 2 . . . . 44 GLY HA3 . 11268 1 481 . 1 1 44 44 GLY C C 13 174.521 0.300 . 1 . . . . 44 GLY C . 11268 1 482 . 1 1 44 44 GLY CA C 13 44.749 0.300 . 1 . . . . 44 GLY CA . 11268 1 483 . 1 1 44 44 GLY N N 15 104.570 0.300 . 1 . . . . 44 GLY N . 11268 1 484 . 1 1 45 45 TYR H H 1 7.450 0.030 . 1 . . . . 45 TYR H . 11268 1 485 . 1 1 45 45 TYR HA H 1 4.568 0.030 . 1 . . . . 45 TYR HA . 11268 1 486 . 1 1 45 45 TYR HB2 H 1 2.894 0.030 . 2 . . . . 45 TYR HB2 . 11268 1 487 . 1 1 45 45 TYR HB3 H 1 2.993 0.030 . 2 . . . . 45 TYR HB3 . 11268 1 488 . 1 1 45 45 TYR HD1 H 1 6.780 0.030 . 1 . . . . 45 TYR HD1 . 11268 1 489 . 1 1 45 45 TYR HD2 H 1 6.780 0.030 . 1 . . . . 45 TYR HD2 . 11268 1 490 . 1 1 45 45 TYR HE1 H 1 6.509 0.030 . 1 . . . . 45 TYR HE1 . 11268 1 491 . 1 1 45 45 TYR HE2 H 1 6.509 0.030 . 1 . . . . 45 TYR HE2 . 11268 1 492 . 1 1 45 45 TYR C C 13 174.913 0.300 . 1 . . . . 45 TYR C . 11268 1 493 . 1 1 45 45 TYR CA C 13 56.850 0.300 . 1 . . . . 45 TYR CA . 11268 1 494 . 1 1 45 45 TYR CB C 13 38.630 0.300 . 1 . . . . 45 TYR CB . 11268 1 495 . 1 1 45 45 TYR CD1 C 13 132.148 0.300 . 1 . . . . 45 TYR CD1 . 11268 1 496 . 1 1 45 45 TYR CD2 C 13 132.148 0.300 . 1 . . . . 45 TYR CD2 . 11268 1 497 . 1 1 45 45 TYR CE1 C 13 117.736 0.300 . 1 . . . . 45 TYR CE1 . 11268 1 498 . 1 1 45 45 TYR CE2 C 13 117.736 0.300 . 1 . . . . 45 TYR CE2 . 11268 1 499 . 1 1 45 45 TYR N N 15 120.108 0.300 . 1 . . . . 45 TYR N . 11268 1 500 . 1 1 46 46 SER H H 1 8.366 0.030 . 1 . . . . 46 SER H . 11268 1 501 . 1 1 46 46 SER HA H 1 5.010 0.030 . 1 . . . . 46 SER HA . 11268 1 502 . 1 1 46 46 SER HB2 H 1 4.430 0.030 . 2 . . . . 46 SER HB2 . 11268 1 503 . 1 1 46 46 SER HB3 H 1 4.013 0.030 . 2 . . . . 46 SER HB3 . 11268 1 504 . 1 1 46 46 SER C C 13 175.501 0.300 . 1 . . . . 46 SER C . 11268 1 505 . 1 1 46 46 SER CA C 13 56.763 0.300 . 1 . . . . 46 SER CA . 11268 1 506 . 1 1 46 46 SER CB C 13 65.719 0.300 . 1 . . . . 46 SER CB . 11268 1 507 . 1 1 46 46 SER N N 15 115.488 0.300 . 1 . . . . 46 SER N . 11268 1 508 . 1 1 47 47 ILE H H 1 8.579 0.030 . 1 . . . . 47 ILE H . 11268 1 509 . 1 1 47 47 ILE HA H 1 3.825 0.030 . 1 . . . . 47 ILE HA . 11268 1 510 . 1 1 47 47 ILE HB H 1 2.726 0.030 . 1 . . . . 47 ILE HB . 11268 1 511 . 1 1 47 47 ILE HD11 H 1 0.673 0.030 . 1 . . . . 47 ILE HD1 . 11268 1 512 . 1 1 47 47 ILE HD12 H 1 0.673 0.030 . 1 . . . . 47 ILE HD1 . 11268 1 513 . 1 1 47 47 ILE HD13 H 1 0.673 0.030 . 1 . . . . 47 ILE HD1 . 11268 1 514 . 1 1 47 47 ILE HG12 H 1 1.385 0.030 . 2 . . . . 47 ILE HG12 . 11268 1 515 . 1 1 47 47 ILE HG13 H 1 1.854 0.030 . 2 . . . . 47 ILE HG13 . 11268 1 516 . 1 1 47 47 ILE HG21 H 1 0.773 0.030 . 1 . . . . 47 ILE HG2 . 11268 1 517 . 1 1 47 47 ILE HG22 H 1 0.773 0.030 . 1 . . . . 47 ILE HG2 . 11268 1 518 . 1 1 47 47 ILE HG23 H 1 0.773 0.030 . 1 . . . . 47 ILE HG2 . 11268 1 519 . 1 1 47 47 ILE C C 13 178.979 0.300 . 1 . . . . 47 ILE C . 11268 1 520 . 1 1 47 47 ILE CA C 13 61.749 0.300 . 1 . . . . 47 ILE CA . 11268 1 521 . 1 1 47 47 ILE CB C 13 34.202 0.300 . 1 . . . . 47 ILE CB . 11268 1 522 . 1 1 47 47 ILE CD1 C 13 9.967 0.300 . 1 . . . . 47 ILE CD1 . 11268 1 523 . 1 1 47 47 ILE CG1 C 13 27.843 0.300 . 1 . . . . 47 ILE CG1 . 11268 1 524 . 1 1 47 47 ILE CG2 C 13 18.284 0.300 . 1 . . . . 47 ILE CG2 . 11268 1 525 . 1 1 47 47 ILE N N 15 122.270 0.300 . 1 . . . . 47 ILE N . 11268 1 526 . 1 1 48 48 SER H H 1 8.861 0.030 . 1 . . . . 48 SER H . 11268 1 527 . 1 1 48 48 SER HA H 1 3.946 0.030 . 1 . . . . 48 SER HA . 11268 1 528 . 1 1 48 48 SER HB2 H 1 3.858 0.030 . 2 . . . . 48 SER HB2 . 11268 1 529 . 1 1 48 48 SER HB3 H 1 3.942 0.030 . 2 . . . . 48 SER HB3 . 11268 1 530 . 1 1 48 48 SER C C 13 176.971 0.300 . 1 . . . . 48 SER C . 11268 1 531 . 1 1 48 48 SER CA C 13 62.232 0.300 . 1 . . . . 48 SER CA . 11268 1 532 . 1 1 48 48 SER CB C 13 62.677 0.300 . 1 . . . . 48 SER CB . 11268 1 533 . 1 1 48 48 SER N N 15 115.797 0.300 . 1 . . . . 48 SER N . 11268 1 534 . 1 1 49 49 PHE H H 1 8.072 0.030 . 1 . . . . 49 PHE H . 11268 1 535 . 1 1 49 49 PHE HA H 1 4.292 0.030 . 1 . . . . 49 PHE HA . 11268 1 536 . 1 1 49 49 PHE HB2 H 1 3.221 0.030 . 2 . . . . 49 PHE HB2 . 11268 1 537 . 1 1 49 49 PHE HB3 H 1 3.349 0.030 . 2 . . . . 49 PHE HB3 . 11268 1 538 . 1 1 49 49 PHE HD1 H 1 6.971 0.030 . 1 . . . . 49 PHE HD1 . 11268 1 539 . 1 1 49 49 PHE HD2 H 1 6.971 0.030 . 1 . . . . 49 PHE HD2 . 11268 1 540 . 1 1 49 49 PHE HE1 H 1 6.868 0.030 . 1 . . . . 49 PHE HE1 . 11268 1 541 . 1 1 49 49 PHE HE2 H 1 6.868 0.030 . 1 . . . . 49 PHE HE2 . 11268 1 542 . 1 1 49 49 PHE HZ H 1 7.034 0.030 . 1 . . . . 49 PHE HZ . 11268 1 543 . 1 1 49 49 PHE C C 13 177.559 0.300 . 1 . . . . 49 PHE C . 11268 1 544 . 1 1 49 49 PHE CA C 13 60.650 0.300 . 1 . . . . 49 PHE CA . 11268 1 545 . 1 1 49 49 PHE CB C 13 38.742 0.300 . 1 . . . . 49 PHE CB . 11268 1 546 . 1 1 49 49 PHE CD1 C 13 131.562 0.300 . 1 . . . . 49 PHE CD1 . 11268 1 547 . 1 1 49 49 PHE CD2 C 13 131.562 0.300 . 1 . . . . 49 PHE CD2 . 11268 1 548 . 1 1 49 49 PHE CE1 C 13 131.069 0.300 . 1 . . . . 49 PHE CE1 . 11268 1 549 . 1 1 49 49 PHE CE2 C 13 131.069 0.300 . 1 . . . . 49 PHE CE2 . 11268 1 550 . 1 1 49 49 PHE CZ C 13 129.450 0.300 . 1 . . . . 49 PHE CZ . 11268 1 551 . 1 1 49 49 PHE N N 15 123.401 0.300 . 1 . . . . 49 PHE N . 11268 1 552 . 1 1 50 50 LEU H H 1 8.214 0.030 . 1 . . . . 50 LEU H . 11268 1 553 . 1 1 50 50 LEU HA H 1 3.780 0.030 . 1 . . . . 50 LEU HA . 11268 1 554 . 1 1 50 50 LEU HB2 H 1 1.937 0.030 . 2 . . . . 50 LEU HB2 . 11268 1 555 . 1 1 50 50 LEU HB3 H 1 1.518 0.030 . 2 . . . . 50 LEU HB3 . 11268 1 556 . 1 1 50 50 LEU HD11 H 1 0.701 0.030 . 1 . . . . 50 LEU HD1 . 11268 1 557 . 1 1 50 50 LEU HD12 H 1 0.701 0.030 . 1 . . . . 50 LEU HD1 . 11268 1 558 . 1 1 50 50 LEU HD13 H 1 0.701 0.030 . 1 . . . . 50 LEU HD1 . 11268 1 559 . 1 1 50 50 LEU HD21 H 1 0.766 0.030 . 1 . . . . 50 LEU HD2 . 11268 1 560 . 1 1 50 50 LEU HD22 H 1 0.766 0.030 . 1 . . . . 50 LEU HD2 . 11268 1 561 . 1 1 50 50 LEU HD23 H 1 0.766 0.030 . 1 . . . . 50 LEU HD2 . 11268 1 562 . 1 1 50 50 LEU HG H 1 1.564 0.030 . 1 . . . . 50 LEU HG . 11268 1 563 . 1 1 50 50 LEU C C 13 178.636 0.300 . 1 . . . . 50 LEU C . 11268 1 564 . 1 1 50 50 LEU CA C 13 57.729 0.300 . 1 . . . . 50 LEU CA . 11268 1 565 . 1 1 50 50 LEU CB C 13 41.509 0.300 . 1 . . . . 50 LEU CB . 11268 1 566 . 1 1 50 50 LEU CD1 C 13 25.370 0.300 . 2 . . . . 50 LEU CD1 . 11268 1 567 . 1 1 50 50 LEU CD2 C 13 23.898 0.300 . 2 . . . . 50 LEU CD2 . 11268 1 568 . 1 1 50 50 LEU CG C 13 26.842 0.300 . 1 . . . . 50 LEU CG . 11268 1 569 . 1 1 50 50 LEU N N 15 120.707 0.300 . 1 . . . . 50 LEU N . 11268 1 570 . 1 1 51 51 LYS H H 1 8.616 0.030 . 1 . . . . 51 LYS H . 11268 1 571 . 1 1 51 51 LYS HA H 1 3.632 0.030 . 1 . . . . 51 LYS HA . 11268 1 572 . 1 1 51 51 LYS HB2 H 1 2.141 0.030 . 2 . . . . 51 LYS HB2 . 11268 1 573 . 1 1 51 51 LYS HB3 H 1 1.705 0.030 . 2 . . . . 51 LYS HB3 . 11268 1 574 . 1 1 51 51 LYS HD2 H 1 1.674 0.030 . 2 . . . . 51 LYS HD2 . 11268 1 575 . 1 1 51 51 LYS HD3 H 1 1.872 0.030 . 2 . . . . 51 LYS HD3 . 11268 1 576 . 1 1 51 51 LYS HE2 H 1 2.773 0.030 . 2 . . . . 51 LYS HE2 . 11268 1 577 . 1 1 51 51 LYS HE3 H 1 2.645 0.030 . 2 . . . . 51 LYS HE3 . 11268 1 578 . 1 1 51 51 LYS HG2 H 1 0.877 0.030 . 2 . . . . 51 LYS HG2 . 11268 1 579 . 1 1 51 51 LYS HG3 H 1 1.753 0.030 . 2 . . . . 51 LYS HG3 . 11268 1 580 . 1 1 51 51 LYS C C 13 178.147 0.300 . 1 . . . . 51 LYS C . 11268 1 581 . 1 1 51 51 LYS CA C 13 61.581 0.300 . 1 . . . . 51 LYS CA . 11268 1 582 . 1 1 51 51 LYS CB C 13 33.221 0.300 . 1 . . . . 51 LYS CB . 11268 1 583 . 1 1 51 51 LYS CD C 13 30.032 0.300 . 1 . . . . 51 LYS CD . 11268 1 584 . 1 1 51 51 LYS CE C 13 43.276 0.300 . 1 . . . . 51 LYS CE . 11268 1 585 . 1 1 51 51 LYS CG C 13 28.069 0.300 . 1 . . . . 51 LYS CG . 11268 1 586 . 1 1 51 51 LYS N N 15 117.627 0.300 . 1 . . . . 51 LYS N . 11268 1 587 . 1 1 52 52 GLN H H 1 7.567 0.030 . 1 . . . . 52 GLN H . 11268 1 588 . 1 1 52 52 GLN HA H 1 3.742 0.030 . 1 . . . . 52 GLN HA . 11268 1 589 . 1 1 52 52 GLN HB2 H 1 2.187 0.030 . 2 . . . . 52 GLN HB2 . 11268 1 590 . 1 1 52 52 GLN HB3 H 1 2.017 0.030 . 2 . . . . 52 GLN HB3 . 11268 1 591 . 1 1 52 52 GLN HE21 H 1 7.316 0.030 . 2 . . . . 52 GLN HE21 . 11268 1 592 . 1 1 52 52 GLN HE22 H 1 6.821 0.030 . 2 . . . . 52 GLN HE22 . 11268 1 593 . 1 1 52 52 GLN HG2 H 1 2.300 0.030 . 2 . . . . 52 GLN HG2 . 11268 1 594 . 1 1 52 52 GLN HG3 H 1 2.463 0.030 . 2 . . . . 52 GLN HG3 . 11268 1 595 . 1 1 52 52 GLN C C 13 179.077 0.300 . 1 . . . . 52 GLN C . 11268 1 596 . 1 1 52 52 GLN CA C 13 59.098 0.300 . 1 . . . . 52 GLN CA . 11268 1 597 . 1 1 52 52 GLN CB C 13 27.835 0.300 . 1 . . . . 52 GLN CB . 11268 1 598 . 1 1 52 52 GLN CG C 13 33.712 0.300 . 1 . . . . 52 GLN CG . 11268 1 599 . 1 1 52 52 GLN N N 15 117.805 0.300 . 1 . . . . 52 GLN N . 11268 1 600 . 1 1 52 52 GLN NE2 N 15 111.741 0.300 . 1 . . . . 52 GLN NE2 . 11268 1 601 . 1 1 53 53 LEU H H 1 8.088 0.030 . 1 . . . . 53 LEU H . 11268 1 602 . 1 1 53 53 LEU HA H 1 3.885 0.030 . 1 . . . . 53 LEU HA . 11268 1 603 . 1 1 53 53 LEU HB2 H 1 1.396 0.030 . 2 . . . . 53 LEU HB2 . 11268 1 604 . 1 1 53 53 LEU HB3 H 1 1.454 0.030 . 2 . . . . 53 LEU HB3 . 11268 1 605 . 1 1 53 53 LEU HD11 H 1 0.642 0.030 . 1 . . . . 53 LEU HD1 . 11268 1 606 . 1 1 53 53 LEU HD12 H 1 0.642 0.030 . 1 . . . . 53 LEU HD1 . 11268 1 607 . 1 1 53 53 LEU HD13 H 1 0.642 0.030 . 1 . . . . 53 LEU HD1 . 11268 1 608 . 1 1 53 53 LEU HD21 H 1 0.602 0.030 . 1 . . . . 53 LEU HD2 . 11268 1 609 . 1 1 53 53 LEU HD22 H 1 0.602 0.030 . 1 . . . . 53 LEU HD2 . 11268 1 610 . 1 1 53 53 LEU HD23 H 1 0.602 0.030 . 1 . . . . 53 LEU HD2 . 11268 1 611 . 1 1 53 53 LEU HG H 1 1.198 0.030 . 1 . . . . 53 LEU HG . 11268 1 612 . 1 1 53 53 LEU C C 13 179.837 0.300 . 1 . . . . 53 LEU C . 11268 1 613 . 1 1 53 53 LEU CA C 13 57.496 0.300 . 1 . . . . 53 LEU CA . 11268 1 614 . 1 1 53 53 LEU CB C 13 42.207 0.300 . 1 . . . . 53 LEU CB . 11268 1 615 . 1 1 53 53 LEU CD1 C 13 23.874 0.300 . 2 . . . . 53 LEU CD1 . 11268 1 616 . 1 1 53 53 LEU CD2 C 13 25.129 0.300 . 2 . . . . 53 LEU CD2 . 11268 1 617 . 1 1 53 53 LEU CG C 13 26.152 0.300 . 1 . . . . 53 LEU CG . 11268 1 618 . 1 1 53 53 LEU N N 15 122.127 0.300 . 1 . . . . 53 LEU N . 11268 1 619 . 1 1 54 54 ILE H H 1 8.363 0.030 . 1 . . . . 54 ILE H . 11268 1 620 . 1 1 54 54 ILE HA H 1 3.287 0.030 . 1 . . . . 54 ILE HA . 11268 1 621 . 1 1 54 54 ILE HB H 1 1.750 0.030 . 1 . . . . 54 ILE HB . 11268 1 622 . 1 1 54 54 ILE HD11 H 1 0.593 0.030 . 1 . . . . 54 ILE HD1 . 11268 1 623 . 1 1 54 54 ILE HD12 H 1 0.593 0.030 . 1 . . . . 54 ILE HD1 . 11268 1 624 . 1 1 54 54 ILE HD13 H 1 0.593 0.030 . 1 . . . . 54 ILE HD1 . 11268 1 625 . 1 1 54 54 ILE HG12 H 1 0.650 0.030 . 2 . . . . 54 ILE HG12 . 11268 1 626 . 1 1 54 54 ILE HG13 H 1 1.792 0.030 . 2 . . . . 54 ILE HG13 . 11268 1 627 . 1 1 54 54 ILE HG21 H 1 0.736 0.030 . 1 . . . . 54 ILE HG2 . 11268 1 628 . 1 1 54 54 ILE HG22 H 1 0.736 0.030 . 1 . . . . 54 ILE HG2 . 11268 1 629 . 1 1 54 54 ILE HG23 H 1 0.736 0.030 . 1 . . . . 54 ILE HG2 . 11268 1 630 . 1 1 54 54 ILE C C 13 176.848 0.300 . 1 . . . . 54 ILE C . 11268 1 631 . 1 1 54 54 ILE CA C 13 66.073 0.300 . 1 . . . . 54 ILE CA . 11268 1 632 . 1 1 54 54 ILE CB C 13 38.348 0.300 . 1 . . . . 54 ILE CB . 11268 1 633 . 1 1 54 54 ILE CD1 C 13 15.154 0.300 . 1 . . . . 54 ILE CD1 . 11268 1 634 . 1 1 54 54 ILE CG1 C 13 31.013 0.300 . 1 . . . . 54 ILE CG1 . 11268 1 635 . 1 1 54 54 ILE CG2 C 13 17.380 0.300 . 1 . . . . 54 ILE CG2 . 11268 1 636 . 1 1 54 54 ILE N N 15 119.926 0.300 . 1 . . . . 54 ILE N . 11268 1 637 . 1 1 55 55 ALA H H 1 8.184 0.030 . 1 . . . . 55 ALA H . 11268 1 638 . 1 1 55 55 ALA HA H 1 4.095 0.030 . 1 . . . . 55 ALA HA . 11268 1 639 . 1 1 55 55 ALA HB1 H 1 1.281 0.030 . 1 . . . . 55 ALA HB . 11268 1 640 . 1 1 55 55 ALA HB2 H 1 1.281 0.030 . 1 . . . . 55 ALA HB . 11268 1 641 . 1 1 55 55 ALA HB3 H 1 1.281 0.030 . 1 . . . . 55 ALA HB . 11268 1 642 . 1 1 55 55 ALA C C 13 179.322 0.300 . 1 . . . . 55 ALA C . 11268 1 643 . 1 1 55 55 ALA CA C 13 54.599 0.300 . 1 . . . . 55 ALA CA . 11268 1 644 . 1 1 55 55 ALA CB C 13 18.367 0.300 . 1 . . . . 55 ALA CB . 11268 1 645 . 1 1 55 55 ALA N N 15 121.020 0.300 . 1 . . . . 55 ALA N . 11268 1 646 . 1 1 56 56 GLY H H 1 7.692 0.030 . 1 . . . . 56 GLY H . 11268 1 647 . 1 1 56 56 GLY HA2 H 1 3.766 0.030 . 2 . . . . 56 GLY HA2 . 11268 1 648 . 1 1 56 56 GLY HA3 H 1 3.896 0.030 . 2 . . . . 56 GLY HA3 . 11268 1 649 . 1 1 56 56 GLY C C 13 175.526 0.300 . 1 . . . . 56 GLY C . 11268 1 650 . 1 1 56 56 GLY CA C 13 46.227 0.300 . 1 . . . . 56 GLY CA . 11268 1 651 . 1 1 56 56 GLY N N 15 102.158 0.300 . 1 . . . . 56 GLY N . 11268 1 652 . 1 1 57 57 LYS H H 1 7.590 0.030 . 1 . . . . 57 LYS H . 11268 1 653 . 1 1 57 57 LYS HA H 1 4.396 0.030 . 1 . . . . 57 LYS HA . 11268 1 654 . 1 1 57 57 LYS HB2 H 1 1.789 0.030 . 2 . . . . 57 LYS HB2 . 11268 1 655 . 1 1 57 57 LYS HB3 H 1 1.839 0.030 . 2 . . . . 57 LYS HB3 . 11268 1 656 . 1 1 57 57 LYS HD2 H 1 1.650 0.030 . 2 . . . . 57 LYS HD2 . 11268 1 657 . 1 1 57 57 LYS HD3 H 1 1.716 0.030 . 2 . . . . 57 LYS HD3 . 11268 1 658 . 1 1 57 57 LYS HE2 H 1 2.988 0.030 . 1 . . . . 57 LYS HE2 . 11268 1 659 . 1 1 57 57 LYS HE3 H 1 2.988 0.030 . 1 . . . . 57 LYS HE3 . 11268 1 660 . 1 1 57 57 LYS HG2 H 1 1.459 0.030 . 1 . . . . 57 LYS HG2 . 11268 1 661 . 1 1 57 57 LYS HG3 H 1 1.459 0.030 . 1 . . . . 57 LYS HG3 . 11268 1 662 . 1 1 57 57 LYS C C 13 177.436 0.300 . 1 . . . . 57 LYS C . 11268 1 663 . 1 1 57 57 LYS CA C 13 56.533 0.300 . 1 . . . . 57 LYS CA . 11268 1 664 . 1 1 57 57 LYS CB C 13 33.575 0.300 . 1 . . . . 57 LYS CB . 11268 1 665 . 1 1 57 57 LYS CD C 13 28.314 0.300 . 1 . . . . 57 LYS CD . 11268 1 666 . 1 1 57 57 LYS CE C 13 42.125 0.300 . 1 . . . . 57 LYS CE . 11268 1 667 . 1 1 57 57 LYS CG C 13 24.696 0.300 . 1 . . . . 57 LYS CG . 11268 1 668 . 1 1 57 57 LYS N N 15 119.581 0.300 . 1 . . . . 57 LYS N . 11268 1 669 . 1 1 58 58 LEU H H 1 8.313 0.030 . 1 . . . . 58 LEU H . 11268 1 670 . 1 1 58 58 LEU HA H 1 4.722 0.030 . 1 . . . . 58 LEU HA . 11268 1 671 . 1 1 58 58 LEU HB2 H 1 1.618 0.030 . 1 . . . . 58 LEU HB2 . 11268 1 672 . 1 1 58 58 LEU HB3 H 1 1.618 0.030 . 1 . . . . 58 LEU HB3 . 11268 1 673 . 1 1 58 58 LEU HD11 H 1 0.767 0.030 . 1 . . . . 58 LEU HD1 . 11268 1 674 . 1 1 58 58 LEU HD12 H 1 0.767 0.030 . 1 . . . . 58 LEU HD1 . 11268 1 675 . 1 1 58 58 LEU HD13 H 1 0.767 0.030 . 1 . . . . 58 LEU HD1 . 11268 1 676 . 1 1 58 58 LEU HD21 H 1 0.798 0.030 . 1 . . . . 58 LEU HD2 . 11268 1 677 . 1 1 58 58 LEU HD22 H 1 0.798 0.030 . 1 . . . . 58 LEU HD2 . 11268 1 678 . 1 1 58 58 LEU HD23 H 1 0.798 0.030 . 1 . . . . 58 LEU HD2 . 11268 1 679 . 1 1 58 58 LEU HG H 1 1.524 0.030 . 1 . . . . 58 LEU HG . 11268 1 680 . 1 1 58 58 LEU C C 13 177.069 0.300 . 1 . . . . 58 LEU C . 11268 1 681 . 1 1 58 58 LEU CA C 13 53.403 0.300 . 1 . . . . 58 LEU CA . 11268 1 682 . 1 1 58 58 LEU CB C 13 40.398 0.300 . 1 . . . . 58 LEU CB . 11268 1 683 . 1 1 58 58 LEU CD1 C 13 25.765 0.300 . 2 . . . . 58 LEU CD1 . 11268 1 684 . 1 1 58 58 LEU CD2 C 13 23.299 0.300 . 2 . . . . 58 LEU CD2 . 11268 1 685 . 1 1 58 58 LEU CG C 13 27.080 0.300 . 1 . . . . 58 LEU CG . 11268 1 686 . 1 1 58 58 LEU N N 15 122.312 0.300 . 1 . . . . 58 LEU N . 11268 1 687 . 1 1 59 59 GLN H H 1 7.471 0.030 . 1 . . . . 59 GLN H . 11268 1 688 . 1 1 59 59 GLN HA H 1 4.031 0.030 . 1 . . . . 59 GLN HA . 11268 1 689 . 1 1 59 59 GLN HB2 H 1 2.061 0.030 . 1 . . . . 59 GLN HB2 . 11268 1 690 . 1 1 59 59 GLN HB3 H 1 2.061 0.030 . 1 . . . . 59 GLN HB3 . 11268 1 691 . 1 1 59 59 GLN HE21 H 1 7.605 0.030 . 2 . . . . 59 GLN HE21 . 11268 1 692 . 1 1 59 59 GLN HE22 H 1 6.766 0.030 . 2 . . . . 59 GLN HE22 . 11268 1 693 . 1 1 59 59 GLN HG2 H 1 2.387 0.030 . 1 . . . . 59 GLN HG2 . 11268 1 694 . 1 1 59 59 GLN HG3 H 1 2.387 0.030 . 1 . . . . 59 GLN HG3 . 11268 1 695 . 1 1 59 59 GLN C C 13 176.946 0.300 . 1 . . . . 59 GLN C . 11268 1 696 . 1 1 59 59 GLN CA C 13 58.795 0.300 . 1 . . . . 59 GLN CA . 11268 1 697 . 1 1 59 59 GLN CB C 13 28.805 0.300 . 1 . . . . 59 GLN CB . 11268 1 698 . 1 1 59 59 GLN CG C 13 33.957 0.300 . 1 . . . . 59 GLN CG . 11268 1 699 . 1 1 59 59 GLN N N 15 119.287 0.300 . 1 . . . . 59 GLN N . 11268 1 700 . 1 1 59 59 GLN NE2 N 15 111.968 0.300 . 1 . . . . 59 GLN NE2 . 11268 1 701 . 1 1 60 60 GLU H H 1 8.602 0.030 . 1 . . . . 60 GLU H . 11268 1 702 . 1 1 60 60 GLU HA H 1 4.081 0.030 . 1 . . . . 60 GLU HA . 11268 1 703 . 1 1 60 60 GLU HB2 H 1 1.963 0.030 . 2 . . . . 60 GLU HB2 . 11268 1 704 . 1 1 60 60 GLU HB3 H 1 2.014 0.030 . 2 . . . . 60 GLU HB3 . 11268 1 705 . 1 1 60 60 GLU HG2 H 1 2.250 0.030 . 1 . . . . 60 GLU HG2 . 11268 1 706 . 1 1 60 60 GLU HG3 H 1 2.250 0.030 . 1 . . . . 60 GLU HG3 . 11268 1 707 . 1 1 60 60 GLU C C 13 177.485 0.300 . 1 . . . . 60 GLU C . 11268 1 708 . 1 1 60 60 GLU CA C 13 58.451 0.300 . 1 . . . . 60 GLU CA . 11268 1 709 . 1 1 60 60 GLU CB C 13 29.053 0.300 . 1 . . . . 60 GLU CB . 11268 1 710 . 1 1 60 60 GLU CG C 13 36.452 0.300 . 1 . . . . 60 GLU CG . 11268 1 711 . 1 1 60 60 GLU N N 15 116.352 0.300 . 1 . . . . 60 GLU N . 11268 1 712 . 1 1 61 61 SER H H 1 7.714 0.030 . 1 . . . . 61 SER H . 11268 1 713 . 1 1 61 61 SER HA H 1 4.485 0.030 . 1 . . . . 61 SER HA . 11268 1 714 . 1 1 61 61 SER HB2 H 1 3.815 0.030 . 2 . . . . 61 SER HB2 . 11268 1 715 . 1 1 61 61 SER HB3 H 1 3.672 0.030 . 2 . . . . 61 SER HB3 . 11268 1 716 . 1 1 61 61 SER C C 13 173.836 0.300 . 1 . . . . 61 SER C . 11268 1 717 . 1 1 61 61 SER CA C 13 59.699 0.300 . 1 . . . . 61 SER CA . 11268 1 718 . 1 1 61 61 SER CB C 13 64.868 0.300 . 1 . . . . 61 SER CB . 11268 1 719 . 1 1 61 61 SER N N 15 112.917 0.300 . 1 . . . . 61 SER N . 11268 1 720 . 1 1 62 62 VAL H H 1 8.076 0.030 . 1 . . . . 62 VAL H . 11268 1 721 . 1 1 62 62 VAL HA H 1 4.337 0.030 . 1 . . . . 62 VAL HA . 11268 1 722 . 1 1 62 62 VAL HB H 1 1.997 0.030 . 1 . . . . 62 VAL HB . 11268 1 723 . 1 1 62 62 VAL HG11 H 1 0.705 0.030 . 1 . . . . 62 VAL HG1 . 11268 1 724 . 1 1 62 62 VAL HG12 H 1 0.705 0.030 . 1 . . . . 62 VAL HG1 . 11268 1 725 . 1 1 62 62 VAL HG13 H 1 0.705 0.030 . 1 . . . . 62 VAL HG1 . 11268 1 726 . 1 1 62 62 VAL HG21 H 1 0.734 0.030 . 1 . . . . 62 VAL HG2 . 11268 1 727 . 1 1 62 62 VAL HG22 H 1 0.734 0.030 . 1 . . . . 62 VAL HG2 . 11268 1 728 . 1 1 62 62 VAL HG23 H 1 0.734 0.030 . 1 . . . . 62 VAL HG2 . 11268 1 729 . 1 1 62 62 VAL C C 13 171.435 0.300 . 1 . . . . 62 VAL C . 11268 1 730 . 1 1 62 62 VAL CA C 13 59.105 0.300 . 1 . . . . 62 VAL CA . 11268 1 731 . 1 1 62 62 VAL CB C 13 32.753 0.300 . 1 . . . . 62 VAL CB . 11268 1 732 . 1 1 62 62 VAL CG1 C 13 22.431 0.300 . 2 . . . . 62 VAL CG1 . 11268 1 733 . 1 1 62 62 VAL CG2 C 13 20.780 0.300 . 2 . . . . 62 VAL CG2 . 11268 1 734 . 1 1 62 62 VAL N N 15 119.996 0.300 . 1 . . . . 62 VAL N . 11268 1 735 . 1 1 63 63 PRO HA H 1 4.426 0.030 . 1 . . . . 63 PRO HA . 11268 1 736 . 1 1 63 63 PRO HB2 H 1 1.899 0.030 . 2 . . . . 63 PRO HB2 . 11268 1 737 . 1 1 63 63 PRO HB3 H 1 2.297 0.030 . 2 . . . . 63 PRO HB3 . 11268 1 738 . 1 1 63 63 PRO HD2 H 1 3.275 0.030 . 2 . . . . 63 PRO HD2 . 11268 1 739 . 1 1 63 63 PRO HD3 H 1 3.460 0.030 . 2 . . . . 63 PRO HD3 . 11268 1 740 . 1 1 63 63 PRO HG2 H 1 1.824 0.030 . 2 . . . . 63 PRO HG2 . 11268 1 741 . 1 1 63 63 PRO HG3 H 1 1.907 0.030 . 2 . . . . 63 PRO HG3 . 11268 1 742 . 1 1 63 63 PRO C C 13 176.334 0.300 . 1 . . . . 63 PRO C . 11268 1 743 . 1 1 63 63 PRO CA C 13 63.674 0.300 . 1 . . . . 63 PRO CA . 11268 1 744 . 1 1 63 63 PRO CB C 13 32.095 0.300 . 1 . . . . 63 PRO CB . 11268 1 745 . 1 1 63 63 PRO CD C 13 49.935 0.300 . 1 . . . . 63 PRO CD . 11268 1 746 . 1 1 63 63 PRO CG C 13 27.092 0.300 . 1 . . . . 63 PRO CG . 11268 1 747 . 1 1 64 64 ASP H H 1 7.543 0.030 . 1 . . . . 64 ASP H . 11268 1 748 . 1 1 64 64 ASP HA H 1 4.971 0.030 . 1 . . . . 64 ASP HA . 11268 1 749 . 1 1 64 64 ASP HB2 H 1 2.455 0.030 . 2 . . . . 64 ASP HB2 . 11268 1 750 . 1 1 64 64 ASP HB3 H 1 2.660 0.030 . 2 . . . . 64 ASP HB3 . 11268 1 751 . 1 1 64 64 ASP C C 13 175.698 0.300 . 1 . . . . 64 ASP C . 11268 1 752 . 1 1 64 64 ASP CA C 13 50.929 0.300 . 1 . . . . 64 ASP CA . 11268 1 753 . 1 1 64 64 ASP CB C 13 43.029 0.300 . 1 . . . . 64 ASP CB . 11268 1 754 . 1 1 64 64 ASP N N 15 115.434 0.300 . 1 . . . . 64 ASP N . 11268 1 755 . 1 1 65 65 PRO HA H 1 3.960 0.030 . 1 . . . . 65 PRO HA . 11268 1 756 . 1 1 65 65 PRO HB2 H 1 1.935 0.030 . 2 . . . . 65 PRO HB2 . 11268 1 757 . 1 1 65 65 PRO HB3 H 1 2.046 0.030 . 2 . . . . 65 PRO HB3 . 11268 1 758 . 1 1 65 65 PRO HD2 H 1 3.475 0.030 . 2 . . . . 65 PRO HD2 . 11268 1 759 . 1 1 65 65 PRO HD3 H 1 4.072 0.030 . 2 . . . . 65 PRO HD3 . 11268 1 760 . 1 1 65 65 PRO HG2 H 1 1.900 0.030 . 2 . . . . 65 PRO HG2 . 11268 1 761 . 1 1 65 65 PRO HG3 H 1 2.045 0.030 . 2 . . . . 65 PRO HG3 . 11268 1 762 . 1 1 65 65 PRO C C 13 176.946 0.300 . 1 . . . . 65 PRO C . 11268 1 763 . 1 1 65 65 PRO CA C 13 64.617 0.300 . 1 . . . . 65 PRO CA . 11268 1 764 . 1 1 65 65 PRO CB C 13 31.749 0.300 . 1 . . . . 65 PRO CB . 11268 1 765 . 1 1 65 65 PRO CD C 13 51.088 0.300 . 1 . . . . 65 PRO CD . 11268 1 766 . 1 1 65 65 PRO CG C 13 26.842 0.300 . 1 . . . . 65 PRO CG . 11268 1 767 . 1 1 66 66 GLU H H 1 8.606 0.030 . 1 . . . . 66 GLU H . 11268 1 768 . 1 1 66 66 GLU HA H 1 4.161 0.030 . 1 . . . . 66 GLU HA . 11268 1 769 . 1 1 66 66 GLU HB2 H 1 2.040 0.030 . 2 . . . . 66 GLU HB2 . 11268 1 770 . 1 1 66 66 GLU HB3 H 1 1.944 0.030 . 2 . . . . 66 GLU HB3 . 11268 1 771 . 1 1 66 66 GLU HG2 H 1 2.218 0.030 . 2 . . . . 66 GLU HG2 . 11268 1 772 . 1 1 66 66 GLU HG3 H 1 2.336 0.030 . 2 . . . . 66 GLU HG3 . 11268 1 773 . 1 1 66 66 GLU C C 13 177.363 0.300 . 1 . . . . 66 GLU C . 11268 1 774 . 1 1 66 66 GLU CA C 13 57.835 0.300 . 1 . . . . 66 GLU CA . 11268 1 775 . 1 1 66 66 GLU CB C 13 29.053 0.300 . 1 . . . . 66 GLU CB . 11268 1 776 . 1 1 66 66 GLU CG C 13 36.656 0.300 . 1 . . . . 66 GLU CG . 11268 1 777 . 1 1 66 66 GLU N N 15 116.356 0.300 . 1 . . . . 66 GLU N . 11268 1 778 . 1 1 67 67 LEU H H 1 7.604 0.030 . 1 . . . . 67 LEU H . 11268 1 779 . 1 1 67 67 LEU HA H 1 4.418 0.030 . 1 . . . . 67 LEU HA . 11268 1 780 . 1 1 67 67 LEU HB2 H 1 1.918 0.030 . 2 . . . . 67 LEU HB2 . 11268 1 781 . 1 1 67 67 LEU HB3 H 1 1.655 0.030 . 2 . . . . 67 LEU HB3 . 11268 1 782 . 1 1 67 67 LEU HD11 H 1 0.911 0.030 . 1 . . . . 67 LEU HD1 . 11268 1 783 . 1 1 67 67 LEU HD12 H 1 0.911 0.030 . 1 . . . . 67 LEU HD1 . 11268 1 784 . 1 1 67 67 LEU HD13 H 1 0.911 0.030 . 1 . . . . 67 LEU HD1 . 11268 1 785 . 1 1 67 67 LEU HD21 H 1 0.761 0.030 . 1 . . . . 67 LEU HD2 . 11268 1 786 . 1 1 67 67 LEU HD22 H 1 0.761 0.030 . 1 . . . . 67 LEU HD2 . 11268 1 787 . 1 1 67 67 LEU HD23 H 1 0.761 0.030 . 1 . . . . 67 LEU HD2 . 11268 1 788 . 1 1 67 67 LEU HG H 1 1.464 0.030 . 1 . . . . 67 LEU HG . 11268 1 789 . 1 1 67 67 LEU C C 13 176.530 0.300 . 1 . . . . 67 LEU C . 11268 1 790 . 1 1 67 67 LEU CA C 13 54.106 0.300 . 1 . . . . 67 LEU CA . 11268 1 791 . 1 1 67 67 LEU CB C 13 42.544 0.300 . 1 . . . . 67 LEU CB . 11268 1 792 . 1 1 67 67 LEU CD1 C 13 25.601 0.300 . 2 . . . . 67 LEU CD1 . 11268 1 793 . 1 1 67 67 LEU CD2 C 13 22.395 0.300 . 2 . . . . 67 LEU CD2 . 11268 1 794 . 1 1 67 67 LEU CG C 13 27.087 0.300 . 1 . . . . 67 LEU CG . 11268 1 795 . 1 1 67 67 LEU N N 15 116.216 0.300 . 1 . . . . 67 LEU N . 11268 1 796 . 1 1 68 68 ILE H H 1 7.129 0.030 . 1 . . . . 68 ILE H . 11268 1 797 . 1 1 68 68 ILE HA H 1 5.038 0.030 . 1 . . . . 68 ILE HA . 11268 1 798 . 1 1 68 68 ILE HB H 1 1.791 0.030 . 1 . . . . 68 ILE HB . 11268 1 799 . 1 1 68 68 ILE HD11 H 1 0.712 0.030 . 1 . . . . 68 ILE HD1 . 11268 1 800 . 1 1 68 68 ILE HD12 H 1 0.712 0.030 . 1 . . . . 68 ILE HD1 . 11268 1 801 . 1 1 68 68 ILE HD13 H 1 0.712 0.030 . 1 . . . . 68 ILE HD1 . 11268 1 802 . 1 1 68 68 ILE HG12 H 1 1.034 0.030 . 2 . . . . 68 ILE HG12 . 11268 1 803 . 1 1 68 68 ILE HG13 H 1 1.527 0.030 . 2 . . . . 68 ILE HG13 . 11268 1 804 . 1 1 68 68 ILE HG21 H 1 0.718 0.030 . 1 . . . . 68 ILE HG2 . 11268 1 805 . 1 1 68 68 ILE HG22 H 1 0.718 0.030 . 1 . . . . 68 ILE HG2 . 11268 1 806 . 1 1 68 68 ILE HG23 H 1 0.718 0.030 . 1 . . . . 68 ILE HG2 . 11268 1 807 . 1 1 68 68 ILE C C 13 174.056 0.300 . 1 . . . . 68 ILE C . 11268 1 808 . 1 1 68 68 ILE CA C 13 59.429 0.300 . 1 . . . . 68 ILE CA . 11268 1 809 . 1 1 68 68 ILE CB C 13 41.796 0.300 . 1 . . . . 68 ILE CB . 11268 1 810 . 1 1 68 68 ILE CD1 C 13 14.164 0.300 . 1 . . . . 68 ILE CD1 . 11268 1 811 . 1 1 68 68 ILE CG1 C 13 25.620 0.300 . 1 . . . . 68 ILE CG1 . 11268 1 812 . 1 1 68 68 ILE CG2 C 13 19.626 0.300 . 1 . . . . 68 ILE CG2 . 11268 1 813 . 1 1 68 68 ILE N N 15 111.393 0.300 . 1 . . . . 68 ILE N . 11268 1 814 . 1 1 69 69 ASP H H 1 9.089 0.030 . 1 . . . . 69 ASP H . 11268 1 815 . 1 1 69 69 ASP HA H 1 4.925 0.030 . 1 . . . . 69 ASP HA . 11268 1 816 . 1 1 69 69 ASP HB2 H 1 2.341 0.030 . 1 . . . . 69 ASP HB2 . 11268 1 817 . 1 1 69 69 ASP HB3 H 1 2.341 0.030 . 1 . . . . 69 ASP HB3 . 11268 1 818 . 1 1 69 69 ASP C C 13 175.109 0.300 . 1 . . . . 69 ASP C . 11268 1 819 . 1 1 69 69 ASP CA C 13 52.992 0.300 . 1 . . . . 69 ASP CA . 11268 1 820 . 1 1 69 69 ASP CB C 13 45.108 0.300 . 1 . . . . 69 ASP CB . 11268 1 821 . 1 1 69 69 ASP N N 15 119.576 0.300 . 1 . . . . 69 ASP N . 11268 1 822 . 1 1 70 70 LEU H H 1 8.841 0.030 . 1 . . . . 70 LEU H . 11268 1 823 . 1 1 70 70 LEU HA H 1 5.437 0.030 . 1 . . . . 70 LEU HA . 11268 1 824 . 1 1 70 70 LEU HB2 H 1 1.493 0.030 . 2 . . . . 70 LEU HB2 . 11268 1 825 . 1 1 70 70 LEU HB3 H 1 1.130 0.030 . 2 . . . . 70 LEU HB3 . 11268 1 826 . 1 1 70 70 LEU HD11 H 1 0.763 0.030 . 1 . . . . 70 LEU HD1 . 11268 1 827 . 1 1 70 70 LEU HD12 H 1 0.763 0.030 . 1 . . . . 70 LEU HD1 . 11268 1 828 . 1 1 70 70 LEU HD13 H 1 0.763 0.030 . 1 . . . . 70 LEU HD1 . 11268 1 829 . 1 1 70 70 LEU HD21 H 1 0.754 0.030 . 1 . . . . 70 LEU HD2 . 11268 1 830 . 1 1 70 70 LEU HD22 H 1 0.754 0.030 . 1 . . . . 70 LEU HD2 . 11268 1 831 . 1 1 70 70 LEU HD23 H 1 0.754 0.030 . 1 . . . . 70 LEU HD2 . 11268 1 832 . 1 1 70 70 LEU HG H 1 1.455 0.030 . 1 . . . . 70 LEU HG . 11268 1 833 . 1 1 70 70 LEU C C 13 174.938 0.300 . 1 . . . . 70 LEU C . 11268 1 834 . 1 1 70 70 LEU CA C 13 52.746 0.300 . 1 . . . . 70 LEU CA . 11268 1 835 . 1 1 70 70 LEU CB C 13 45.167 0.300 . 1 . . . . 70 LEU CB . 11268 1 836 . 1 1 70 70 LEU CD1 C 13 24.696 0.300 . 2 . . . . 70 LEU CD1 . 11268 1 837 . 1 1 70 70 LEU CD2 C 13 26.601 0.300 . 2 . . . . 70 LEU CD2 . 11268 1 838 . 1 1 70 70 LEU CG C 13 27.089 0.300 . 1 . . . . 70 LEU CG . 11268 1 839 . 1 1 70 70 LEU N N 15 117.544 0.300 . 1 . . . . 70 LEU N . 11268 1 840 . 1 1 71 71 ILE H H 1 9.142 0.030 . 1 . . . . 71 ILE H . 11268 1 841 . 1 1 71 71 ILE HA H 1 4.919 0.030 . 1 . . . . 71 ILE HA . 11268 1 842 . 1 1 71 71 ILE HB H 1 1.656 0.030 . 1 . . . . 71 ILE HB . 11268 1 843 . 1 1 71 71 ILE HD11 H 1 0.620 0.030 . 1 . . . . 71 ILE HD1 . 11268 1 844 . 1 1 71 71 ILE HD12 H 1 0.620 0.030 . 1 . . . . 71 ILE HD1 . 11268 1 845 . 1 1 71 71 ILE HD13 H 1 0.620 0.030 . 1 . . . . 71 ILE HD1 . 11268 1 846 . 1 1 71 71 ILE HG12 H 1 1.223 0.030 . 2 . . . . 71 ILE HG12 . 11268 1 847 . 1 1 71 71 ILE HG13 H 1 1.023 0.030 . 2 . . . . 71 ILE HG13 . 11268 1 848 . 1 1 71 71 ILE HG21 H 1 0.561 0.030 . 1 . . . . 71 ILE HG2 . 11268 1 849 . 1 1 71 71 ILE HG22 H 1 0.561 0.030 . 1 . . . . 71 ILE HG2 . 11268 1 850 . 1 1 71 71 ILE HG23 H 1 0.561 0.030 . 1 . . . . 71 ILE HG2 . 11268 1 851 . 1 1 71 71 ILE C C 13 175.403 0.300 . 1 . . . . 71 ILE C . 11268 1 852 . 1 1 71 71 ILE CA C 13 58.535 0.300 . 1 . . . . 71 ILE CA . 11268 1 853 . 1 1 71 71 ILE CB C 13 40.152 0.300 . 1 . . . . 71 ILE CB . 11268 1 854 . 1 1 71 71 ILE CD1 C 13 12.580 0.300 . 1 . . . . 71 ILE CD1 . 11268 1 855 . 1 1 71 71 ILE CG1 C 13 28.069 0.300 . 1 . . . . 71 ILE CG1 . 11268 1 856 . 1 1 71 71 ILE CG2 C 13 17.544 0.300 . 1 . . . . 71 ILE CG2 . 11268 1 857 . 1 1 71 71 ILE N N 15 122.340 0.300 . 1 . . . . 71 ILE N . 11268 1 858 . 1 1 72 72 TYR H H 1 8.701 0.030 . 1 . . . . 72 TYR H . 11268 1 859 . 1 1 72 72 TYR HA H 1 5.272 0.030 . 1 . . . . 72 TYR HA . 11268 1 860 . 1 1 72 72 TYR HB2 H 1 2.773 0.030 . 2 . . . . 72 TYR HB2 . 11268 1 861 . 1 1 72 72 TYR HB3 H 1 2.871 0.030 . 2 . . . . 72 TYR HB3 . 11268 1 862 . 1 1 72 72 TYR HD1 H 1 7.305 0.030 . 1 . . . . 72 TYR HD1 . 11268 1 863 . 1 1 72 72 TYR HD2 H 1 7.305 0.030 . 1 . . . . 72 TYR HD2 . 11268 1 864 . 1 1 72 72 TYR HE1 H 1 6.990 0.030 . 1 . . . . 72 TYR HE1 . 11268 1 865 . 1 1 72 72 TYR HE2 H 1 6.990 0.030 . 1 . . . . 72 TYR HE2 . 11268 1 866 . 1 1 72 72 TYR C C 13 175.020 0.300 . 1 . . . . 72 TYR C . 11268 1 867 . 1 1 72 72 TYR CA C 13 56.164 0.300 . 1 . . . . 72 TYR CA . 11268 1 868 . 1 1 72 72 TYR CB C 13 43.029 0.300 . 1 . . . . 72 TYR CB . 11268 1 869 . 1 1 72 72 TYR CD1 C 13 133.572 0.300 . 1 . . . . 72 TYR CD1 . 11268 1 870 . 1 1 72 72 TYR CD2 C 13 133.572 0.300 . 1 . . . . 72 TYR CD2 . 11268 1 871 . 1 1 72 72 TYR CE1 C 13 119.546 0.300 . 1 . . . . 72 TYR CE1 . 11268 1 872 . 1 1 72 72 TYR CE2 C 13 119.546 0.300 . 1 . . . . 72 TYR CE2 . 11268 1 873 . 1 1 72 72 TYR N N 15 125.178 0.300 . 1 . . . . 72 TYR N . 11268 1 874 . 1 1 73 73 CYS HA H 1 3.668 0.030 . 1 . . . . 73 CYS HA . 11268 1 875 . 1 1 73 73 CYS HB2 H 1 2.780 0.030 . 2 . . . . 73 CYS HB2 . 11268 1 876 . 1 1 73 73 CYS HB3 H 1 2.389 0.030 . 2 . . . . 73 CYS HB3 . 11268 1 877 . 1 1 73 73 CYS C C 13 175.158 0.300 . 1 . . . . 73 CYS C . 11268 1 878 . 1 1 73 73 CYS CA C 13 60.673 0.300 . 1 . . . . 73 CYS CA . 11268 1 879 . 1 1 73 73 CYS CB C 13 25.860 0.300 . 1 . . . . 73 CYS CB . 11268 1 880 . 1 1 74 74 GLY H H 1 8.179 0.030 . 1 . . . . 74 GLY H . 11268 1 881 . 1 1 74 74 GLY HA2 H 1 4.030 0.030 . 2 . . . . 74 GLY HA2 . 11268 1 882 . 1 1 74 74 GLY HA3 H 1 3.330 0.030 . 2 . . . . 74 GLY HA3 . 11268 1 883 . 1 1 74 74 GLY C C 13 173.297 0.300 . 1 . . . . 74 GLY C . 11268 1 884 . 1 1 74 74 GLY CA C 13 45.383 0.300 . 1 . . . . 74 GLY CA . 11268 1 885 . 1 1 74 74 GLY N N 15 102.667 0.300 . 1 . . . . 74 GLY N . 11268 1 886 . 1 1 75 75 ARG H H 1 7.733 0.030 . 1 . . . . 75 ARG H . 11268 1 887 . 1 1 75 75 ARG HA H 1 4.540 0.030 . 1 . . . . 75 ARG HA . 11268 1 888 . 1 1 75 75 ARG HB2 H 1 1.893 0.030 . 2 . . . . 75 ARG HB2 . 11268 1 889 . 1 1 75 75 ARG HB3 H 1 1.832 0.030 . 2 . . . . 75 ARG HB3 . 11268 1 890 . 1 1 75 75 ARG HD2 H 1 3.324 0.030 . 1 . . . . 75 ARG HD2 . 11268 1 891 . 1 1 75 75 ARG HD3 H 1 3.324 0.030 . 1 . . . . 75 ARG HD3 . 11268 1 892 . 1 1 75 75 ARG HG2 H 1 1.717 0.030 . 2 . . . . 75 ARG HG2 . 11268 1 893 . 1 1 75 75 ARG HG3 H 1 1.616 0.030 . 2 . . . . 75 ARG HG3 . 11268 1 894 . 1 1 75 75 ARG C C 13 174.325 0.300 . 1 . . . . 75 ARG C . 11268 1 895 . 1 1 75 75 ARG CA C 13 54.704 0.300 . 1 . . . . 75 ARG CA . 11268 1 896 . 1 1 75 75 ARG CB C 13 32.485 0.300 . 1 . . . . 75 ARG CB . 11268 1 897 . 1 1 75 75 ARG CD C 13 44.192 0.300 . 1 . . . . 75 ARG CD . 11268 1 898 . 1 1 75 75 ARG CG C 13 26.669 0.300 . 1 . . . . 75 ARG CG . 11268 1 899 . 1 1 75 75 ARG N N 15 121.678 0.300 . 1 . . . . 75 ARG N . 11268 1 900 . 1 1 76 76 LYS H H 1 8.631 0.030 . 1 . . . . 76 LYS H . 11268 1 901 . 1 1 76 76 LYS HA H 1 4.453 0.030 . 1 . . . . 76 LYS HA . 11268 1 902 . 1 1 76 76 LYS HB2 H 1 1.667 0.030 . 1 . . . . 76 LYS HB2 . 11268 1 903 . 1 1 76 76 LYS HB3 H 1 1.667 0.030 . 1 . . . . 76 LYS HB3 . 11268 1 904 . 1 1 76 76 LYS HD2 H 1 1.612 0.030 . 1 . . . . 76 LYS HD2 . 11268 1 905 . 1 1 76 76 LYS HD3 H 1 1.612 0.030 . 1 . . . . 76 LYS HD3 . 11268 1 906 . 1 1 76 76 LYS HE2 H 1 2.863 0.030 . 2 . . . . 76 LYS HE2 . 11268 1 907 . 1 1 76 76 LYS HE3 H 1 2.897 0.030 . 2 . . . . 76 LYS HE3 . 11268 1 908 . 1 1 76 76 LYS HG2 H 1 1.225 0.030 . 2 . . . . 76 LYS HG2 . 11268 1 909 . 1 1 76 76 LYS HG3 H 1 1.299 0.030 . 2 . . . . 76 LYS HG3 . 11268 1 910 . 1 1 76 76 LYS C C 13 176.554 0.300 . 1 . . . . 76 LYS C . 11268 1 911 . 1 1 76 76 LYS CA C 13 56.674 0.300 . 1 . . . . 76 LYS CA . 11268 1 912 . 1 1 76 76 LYS CB C 13 32.225 0.300 . 1 . . . . 76 LYS CB . 11268 1 913 . 1 1 76 76 LYS CD C 13 29.300 0.300 . 1 . . . . 76 LYS CD . 11268 1 914 . 1 1 76 76 LYS CE C 13 41.960 0.300 . 1 . . . . 76 LYS CE . 11268 1 915 . 1 1 76 76 LYS CG C 13 25.370 0.300 . 1 . . . . 76 LYS CG . 11268 1 916 . 1 1 76 76 LYS N N 15 125.122 0.300 . 1 . . . . 76 LYS N . 11268 1 917 . 1 1 77 77 LEU H H 1 8.435 0.030 . 1 . . . . 77 LEU H . 11268 1 918 . 1 1 77 77 LEU HA H 1 4.068 0.030 . 1 . . . . 77 LEU HA . 11268 1 919 . 1 1 77 77 LEU HB2 H 1 1.493 0.030 . 2 . . . . 77 LEU HB2 . 11268 1 920 . 1 1 77 77 LEU HB3 H 1 1.053 0.030 . 2 . . . . 77 LEU HB3 . 11268 1 921 . 1 1 77 77 LEU HD11 H 1 0.498 0.030 . 1 . . . . 77 LEU HD1 . 11268 1 922 . 1 1 77 77 LEU HD12 H 1 0.498 0.030 . 1 . . . . 77 LEU HD1 . 11268 1 923 . 1 1 77 77 LEU HD13 H 1 0.498 0.030 . 1 . . . . 77 LEU HD1 . 11268 1 924 . 1 1 77 77 LEU HD21 H 1 -0.256 0.030 . 1 . . . . 77 LEU HD2 . 11268 1 925 . 1 1 77 77 LEU HD22 H 1 -0.256 0.030 . 1 . . . . 77 LEU HD2 . 11268 1 926 . 1 1 77 77 LEU HD23 H 1 -0.256 0.030 . 1 . . . . 77 LEU HD2 . 11268 1 927 . 1 1 77 77 LEU HG H 1 1.570 0.030 . 1 . . . . 77 LEU HG . 11268 1 928 . 1 1 77 77 LEU C C 13 176.701 0.300 . 1 . . . . 77 LEU C . 11268 1 929 . 1 1 77 77 LEU CA C 13 54.352 0.300 . 1 . . . . 77 LEU CA . 11268 1 930 . 1 1 77 77 LEU CB C 13 42.125 0.300 . 1 . . . . 77 LEU CB . 11268 1 931 . 1 1 77 77 LEU CD1 C 13 25.436 0.300 . 2 . . . . 77 LEU CD1 . 11268 1 932 . 1 1 77 77 LEU CD2 C 13 19.237 0.300 . 2 . . . . 77 LEU CD2 . 11268 1 933 . 1 1 77 77 LEU CG C 13 25.370 0.300 . 1 . . . . 77 LEU CG . 11268 1 934 . 1 1 77 77 LEU N N 15 125.591 0.300 . 1 . . . . 77 LEU N . 11268 1 935 . 1 1 78 78 LYS H H 1 8.539 0.030 . 1 . . . . 78 LYS H . 11268 1 936 . 1 1 78 78 LYS HA H 1 4.430 0.030 . 1 . . . . 78 LYS HA . 11268 1 937 . 1 1 78 78 LYS HB2 H 1 2.002 0.030 . 2 . . . . 78 LYS HB2 . 11268 1 938 . 1 1 78 78 LYS HB3 H 1 1.840 0.030 . 2 . . . . 78 LYS HB3 . 11268 1 939 . 1 1 78 78 LYS HD2 H 1 1.749 0.030 . 1 . . . . 78 LYS HD2 . 11268 1 940 . 1 1 78 78 LYS HD3 H 1 1.749 0.030 . 1 . . . . 78 LYS HD3 . 11268 1 941 . 1 1 78 78 LYS HE2 H 1 3.075 0.030 . 1 . . . . 78 LYS HE2 . 11268 1 942 . 1 1 78 78 LYS HE3 H 1 3.075 0.030 . 1 . . . . 78 LYS HE3 . 11268 1 943 . 1 1 78 78 LYS HG2 H 1 1.550 0.030 . 2 . . . . 78 LYS HG2 . 11268 1 944 . 1 1 78 78 LYS HG3 H 1 1.642 0.030 . 2 . . . . 78 LYS HG3 . 11268 1 945 . 1 1 78 78 LYS C C 13 177.191 0.300 . 1 . . . . 78 LYS C . 11268 1 946 . 1 1 78 78 LYS CA C 13 56.076 0.300 . 1 . . . . 78 LYS CA . 11268 1 947 . 1 1 78 78 LYS CB C 13 33.957 0.300 . 1 . . . . 78 LYS CB . 11268 1 948 . 1 1 78 78 LYS CD C 13 29.382 0.300 . 1 . . . . 78 LYS CD . 11268 1 949 . 1 1 78 78 LYS CE C 13 42.043 0.300 . 1 . . . . 78 LYS CE . 11268 1 950 . 1 1 78 78 LYS CG C 13 25.272 0.300 . 1 . . . . 78 LYS CG . 11268 1 951 . 1 1 78 78 LYS N N 15 123.780 0.300 . 1 . . . . 78 LYS N . 11268 1 952 . 1 1 79 79 ASP H H 1 8.260 0.030 . 1 . . . . 79 ASP H . 11268 1 953 . 1 1 79 79 ASP HA H 1 4.241 0.030 . 1 . . . . 79 ASP HA . 11268 1 954 . 1 1 79 79 ASP HB2 H 1 2.563 0.030 . 2 . . . . 79 ASP HB2 . 11268 1 955 . 1 1 79 79 ASP HB3 H 1 2.656 0.030 . 2 . . . . 79 ASP HB3 . 11268 1 956 . 1 1 79 79 ASP C C 13 176.065 0.300 . 1 . . . . 79 ASP C . 11268 1 957 . 1 1 79 79 ASP CA C 13 57.729 0.300 . 1 . . . . 79 ASP CA . 11268 1 958 . 1 1 79 79 ASP CB C 13 41.632 0.300 . 1 . . . . 79 ASP CB . 11268 1 959 . 1 1 79 79 ASP N N 15 121.218 0.300 . 1 . . . . 79 ASP N . 11268 1 960 . 1 1 80 80 ASP H H 1 8.218 0.030 . 1 . . . . 80 ASP H . 11268 1 961 . 1 1 80 80 ASP HA H 1 4.666 0.030 . 1 . . . . 80 ASP HA . 11268 1 962 . 1 1 80 80 ASP HB2 H 1 2.591 0.030 . 2 . . . . 80 ASP HB2 . 11268 1 963 . 1 1 80 80 ASP HB3 H 1 2.818 0.030 . 2 . . . . 80 ASP HB3 . 11268 1 964 . 1 1 80 80 ASP C C 13 176.775 0.300 . 1 . . . . 80 ASP C . 11268 1 965 . 1 1 80 80 ASP CA C 13 53.367 0.300 . 1 . . . . 80 ASP CA . 11268 1 966 . 1 1 80 80 ASP CB C 13 39.855 0.300 . 1 . . . . 80 ASP CB . 11268 1 967 . 1 1 80 80 ASP N N 15 112.466 0.300 . 1 . . . . 80 ASP N . 11268 1 968 . 1 1 81 81 GLN H H 1 7.480 0.030 . 1 . . . . 81 GLN H . 11268 1 969 . 1 1 81 81 GLN HA H 1 4.593 0.030 . 1 . . . . 81 GLN HA . 11268 1 970 . 1 1 81 81 GLN HB2 H 1 1.914 0.030 . 2 . . . . 81 GLN HB2 . 11268 1 971 . 1 1 81 81 GLN HB3 H 1 2.101 0.030 . 2 . . . . 81 GLN HB3 . 11268 1 972 . 1 1 81 81 GLN HE21 H 1 5.872 0.030 . 2 . . . . 81 GLN HE21 . 11268 1 973 . 1 1 81 81 GLN HE22 H 1 6.568 0.030 . 2 . . . . 81 GLN HE22 . 11268 1 974 . 1 1 81 81 GLN HG2 H 1 2.060 0.030 . 2 . . . . 81 GLN HG2 . 11268 1 975 . 1 1 81 81 GLN HG3 H 1 1.854 0.030 . 2 . . . . 81 GLN HG3 . 11268 1 976 . 1 1 81 81 GLN C C 13 175.036 0.300 . 1 . . . . 81 GLN C . 11268 1 977 . 1 1 81 81 GLN CA C 13 53.719 0.300 . 1 . . . . 81 GLN CA . 11268 1 978 . 1 1 81 81 GLN CB C 13 30.698 0.300 . 1 . . . . 81 GLN CB . 11268 1 979 . 1 1 81 81 GLN CG C 13 32.240 0.300 . 1 . . . . 81 GLN CG . 11268 1 980 . 1 1 81 81 GLN N N 15 118.973 0.300 . 1 . . . . 81 GLN N . 11268 1 981 . 1 1 81 81 GLN NE2 N 15 110.191 0.300 . 1 . . . . 81 GLN NE2 . 11268 1 982 . 1 1 82 82 THR H H 1 7.583 0.030 . 1 . . . . 82 THR H . 11268 1 983 . 1 1 82 82 THR HA H 1 5.281 0.030 . 1 . . . . 82 THR HA . 11268 1 984 . 1 1 82 82 THR HB H 1 4.793 0.030 . 1 . . . . 82 THR HB . 11268 1 985 . 1 1 82 82 THR HG21 H 1 1.070 0.030 . 1 . . . . 82 THR HG2 . 11268 1 986 . 1 1 82 82 THR HG22 H 1 1.070 0.030 . 1 . . . . 82 THR HG2 . 11268 1 987 . 1 1 82 82 THR HG23 H 1 1.070 0.030 . 1 . . . . 82 THR HG2 . 11268 1 988 . 1 1 82 82 THR C C 13 175.991 0.300 . 1 . . . . 82 THR C . 11268 1 989 . 1 1 82 82 THR CA C 13 59.845 0.300 . 1 . . . . 82 THR CA . 11268 1 990 . 1 1 82 82 THR CB C 13 71.967 0.300 . 1 . . . . 82 THR CB . 11268 1 991 . 1 1 82 82 THR CG2 C 13 21.740 0.300 . 1 . . . . 82 THR CG2 . 11268 1 992 . 1 1 82 82 THR N N 15 106.822 0.300 . 1 . . . . 82 THR N . 11268 1 993 . 1 1 83 83 LEU H H 1 8.074 0.030 . 1 . . . . 83 LEU H . 11268 1 994 . 1 1 83 83 LEU HA H 1 4.044 0.030 . 1 . . . . 83 LEU HA . 11268 1 995 . 1 1 83 83 LEU HB2 H 1 1.622 0.030 . 2 . . . . 83 LEU HB2 . 11268 1 996 . 1 1 83 83 LEU HB3 H 1 2.041 0.030 . 2 . . . . 83 LEU HB3 . 11268 1 997 . 1 1 83 83 LEU HD11 H 1 0.715 0.030 . 1 . . . . 83 LEU HD1 . 11268 1 998 . 1 1 83 83 LEU HD12 H 1 0.715 0.030 . 1 . . . . 83 LEU HD1 . 11268 1 999 . 1 1 83 83 LEU HD13 H 1 0.715 0.030 . 1 . . . . 83 LEU HD1 . 11268 1 1000 . 1 1 83 83 LEU HD21 H 1 0.818 0.030 . 1 . . . . 83 LEU HD2 . 11268 1 1001 . 1 1 83 83 LEU HD22 H 1 0.818 0.030 . 1 . . . . 83 LEU HD2 . 11268 1 1002 . 1 1 83 83 LEU HD23 H 1 0.818 0.030 . 1 . . . . 83 LEU HD2 . 11268 1 1003 . 1 1 83 83 LEU HG H 1 1.799 0.030 . 1 . . . . 83 LEU HG . 11268 1 1004 . 1 1 83 83 LEU C C 13 180.131 0.300 . 1 . . . . 83 LEU C . 11268 1 1005 . 1 1 83 83 LEU CA C 13 59.849 0.300 . 1 . . . . 83 LEU CA . 11268 1 1006 . 1 1 83 83 LEU CB C 13 40.766 0.300 . 1 . . . . 83 LEU CB . 11268 1 1007 . 1 1 83 83 LEU CD1 C 13 24.532 0.300 . 2 . . . . 83 LEU CD1 . 11268 1 1008 . 1 1 83 83 LEU CD2 C 13 25.865 0.300 . 2 . . . . 83 LEU CD2 . 11268 1 1009 . 1 1 83 83 LEU CG C 13 28.563 0.300 . 1 . . . . 83 LEU CG . 11268 1 1010 . 1 1 83 83 LEU N N 15 118.127 0.300 . 1 . . . . 83 LEU N . 11268 1 1011 . 1 1 84 84 ASP H H 1 8.823 0.030 . 1 . . . . 84 ASP H . 11268 1 1012 . 1 1 84 84 ASP HA H 1 4.488 0.030 . 1 . . . . 84 ASP HA . 11268 1 1013 . 1 1 84 84 ASP HB2 H 1 2.516 0.030 . 1 . . . . 84 ASP HB2 . 11268 1 1014 . 1 1 84 84 ASP HB3 H 1 2.516 0.030 . 1 . . . . 84 ASP HB3 . 11268 1 1015 . 1 1 84 84 ASP C C 13 179.371 0.300 . 1 . . . . 84 ASP C . 11268 1 1016 . 1 1 84 84 ASP CA C 13 56.709 0.300 . 1 . . . . 84 ASP CA . 11268 1 1017 . 1 1 84 84 ASP CB C 13 40.483 0.300 . 1 . . . . 84 ASP CB . 11268 1 1018 . 1 1 84 84 ASP N N 15 117.459 0.300 . 1 . . . . 84 ASP N . 11268 1 1019 . 1 1 85 85 PHE H H 1 8.032 0.030 . 1 . . . . 85 PHE H . 11268 1 1020 . 1 1 85 85 PHE HA H 1 3.971 0.030 . 1 . . . . 85 PHE HA . 11268 1 1021 . 1 1 85 85 PHE HB2 H 1 3.202 0.030 . 2 . . . . 85 PHE HB2 . 11268 1 1022 . 1 1 85 85 PHE HB3 H 1 2.930 0.030 . 2 . . . . 85 PHE HB3 . 11268 1 1023 . 1 1 85 85 PHE HD1 H 1 6.179 0.030 . 1 . . . . 85 PHE HD1 . 11268 1 1024 . 1 1 85 85 PHE HD2 H 1 6.179 0.030 . 1 . . . . 85 PHE HD2 . 11268 1 1025 . 1 1 85 85 PHE HE1 H 1 7.045 0.030 . 1 . . . . 85 PHE HE1 . 11268 1 1026 . 1 1 85 85 PHE HE2 H 1 7.045 0.030 . 1 . . . . 85 PHE HE2 . 11268 1 1027 . 1 1 85 85 PHE HZ H 1 7.117 0.030 . 1 . . . . 85 PHE HZ . 11268 1 1028 . 1 1 85 85 PHE C C 13 177.240 0.300 . 1 . . . . 85 PHE C . 11268 1 1029 . 1 1 85 85 PHE CA C 13 61.600 0.300 . 1 . . . . 85 PHE CA . 11268 1 1030 . 1 1 85 85 PHE CB C 13 39.363 0.300 . 1 . . . . 85 PHE CB . 11268 1 1031 . 1 1 85 85 PHE CD1 C 13 131.717 0.300 . 1 . . . . 85 PHE CD1 . 11268 1 1032 . 1 1 85 85 PHE CD2 C 13 131.717 0.300 . 1 . . . . 85 PHE CD2 . 11268 1 1033 . 1 1 85 85 PHE CE1 C 13 131.141 0.300 . 1 . . . . 85 PHE CE1 . 11268 1 1034 . 1 1 85 85 PHE CE2 C 13 131.141 0.300 . 1 . . . . 85 PHE CE2 . 11268 1 1035 . 1 1 85 85 PHE CZ C 13 129.433 0.300 . 1 . . . . 85 PHE CZ . 11268 1 1036 . 1 1 85 85 PHE N N 15 123.293 0.300 . 1 . . . . 85 PHE N . 11268 1 1037 . 1 1 86 86 TYR H H 1 7.085 0.030 . 1 . . . . 86 TYR H . 11268 1 1038 . 1 1 86 86 TYR HA H 1 4.380 0.030 . 1 . . . . 86 TYR HA . 11268 1 1039 . 1 1 86 86 TYR HB2 H 1 3.388 0.030 . 2 . . . . 86 TYR HB2 . 11268 1 1040 . 1 1 86 86 TYR HB3 H 1 2.555 0.030 . 2 . . . . 86 TYR HB3 . 11268 1 1041 . 1 1 86 86 TYR HD1 H 1 7.328 0.030 . 1 . . . . 86 TYR HD1 . 11268 1 1042 . 1 1 86 86 TYR HD2 H 1 7.328 0.030 . 1 . . . . 86 TYR HD2 . 11268 1 1043 . 1 1 86 86 TYR HE1 H 1 7.074 0.030 . 1 . . . . 86 TYR HE1 . 11268 1 1044 . 1 1 86 86 TYR HE2 H 1 7.074 0.030 . 1 . . . . 86 TYR HE2 . 11268 1 1045 . 1 1 86 86 TYR C C 13 175.428 0.300 . 1 . . . . 86 TYR C . 11268 1 1046 . 1 1 86 86 TYR CA C 13 58.925 0.300 . 1 . . . . 86 TYR CA . 11268 1 1047 . 1 1 86 86 TYR CB C 13 40.457 0.300 . 1 . . . . 86 TYR CB . 11268 1 1048 . 1 1 86 86 TYR CD1 C 13 133.713 0.300 . 1 . . . . 86 TYR CD1 . 11268 1 1049 . 1 1 86 86 TYR CD2 C 13 133.713 0.300 . 1 . . . . 86 TYR CD2 . 11268 1 1050 . 1 1 86 86 TYR CE1 C 13 119.299 0.300 . 1 . . . . 86 TYR CE1 . 11268 1 1051 . 1 1 86 86 TYR CE2 C 13 119.299 0.300 . 1 . . . . 86 TYR CE2 . 11268 1 1052 . 1 1 86 86 TYR N N 15 113.037 0.300 . 1 . . . . 86 TYR N . 11268 1 1053 . 1 1 87 87 GLY H H 1 7.993 0.030 . 1 . . . . 87 GLY H . 11268 1 1054 . 1 1 87 87 GLY HA2 H 1 3.905 0.030 . 2 . . . . 87 GLY HA2 . 11268 1 1055 . 1 1 87 87 GLY HA3 H 1 4.043 0.030 . 2 . . . . 87 GLY HA3 . 11268 1 1056 . 1 1 87 87 GLY C C 13 174.913 0.300 . 1 . . . . 87 GLY C . 11268 1 1057 . 1 1 87 87 GLY CA C 13 46.262 0.300 . 1 . . . . 87 GLY CA . 11268 1 1058 . 1 1 87 87 GLY N N 15 108.923 0.300 . 1 . . . . 87 GLY N . 11268 1 1059 . 1 1 88 88 ILE H H 1 7.412 0.030 . 1 . . . . 88 ILE H . 11268 1 1060 . 1 1 88 88 ILE HA H 1 3.269 0.030 . 1 . . . . 88 ILE HA . 11268 1 1061 . 1 1 88 88 ILE HB H 1 1.444 0.030 . 1 . . . . 88 ILE HB . 11268 1 1062 . 1 1 88 88 ILE HD11 H 1 0.423 0.030 . 1 . . . . 88 ILE HD1 . 11268 1 1063 . 1 1 88 88 ILE HD12 H 1 0.423 0.030 . 1 . . . . 88 ILE HD1 . 11268 1 1064 . 1 1 88 88 ILE HD13 H 1 0.423 0.030 . 1 . . . . 88 ILE HD1 . 11268 1 1065 . 1 1 88 88 ILE HG12 H 1 -0.632 0.030 . 2 . . . . 88 ILE HG12 . 11268 1 1066 . 1 1 88 88 ILE HG13 H 1 1.045 0.030 . 2 . . . . 88 ILE HG13 . 11268 1 1067 . 1 1 88 88 ILE HG21 H 1 0.541 0.030 . 1 . . . . 88 ILE HG2 . 11268 1 1068 . 1 1 88 88 ILE HG22 H 1 0.541 0.030 . 1 . . . . 88 ILE HG2 . 11268 1 1069 . 1 1 88 88 ILE HG23 H 1 0.541 0.030 . 1 . . . . 88 ILE HG2 . 11268 1 1070 . 1 1 88 88 ILE C C 13 174.203 0.300 . 1 . . . . 88 ILE C . 11268 1 1071 . 1 1 88 88 ILE CA C 13 63.076 0.300 . 1 . . . . 88 ILE CA . 11268 1 1072 . 1 1 88 88 ILE CB C 13 37.325 0.300 . 1 . . . . 88 ILE CB . 11268 1 1073 . 1 1 88 88 ILE CD1 C 13 13.926 0.300 . 1 . . . . 88 ILE CD1 . 11268 1 1074 . 1 1 88 88 ILE CG1 C 13 27.828 0.300 . 1 . . . . 88 ILE CG1 . 11268 1 1075 . 1 1 88 88 ILE CG2 C 13 17.526 0.300 . 1 . . . . 88 ILE CG2 . 11268 1 1076 . 1 1 88 88 ILE N N 15 120.906 0.300 . 1 . . . . 88 ILE N . 11268 1 1077 . 1 1 89 89 GLN H H 1 7.684 0.030 . 1 . . . . 89 GLN H . 11268 1 1078 . 1 1 89 89 GLN HA H 1 4.578 0.030 . 1 . . . . 89 GLN HA . 11268 1 1079 . 1 1 89 89 GLN HB2 H 1 2.004 0.030 . 2 . . . . 89 GLN HB2 . 11268 1 1080 . 1 1 89 89 GLN HB3 H 1 1.656 0.030 . 2 . . . . 89 GLN HB3 . 11268 1 1081 . 1 1 89 89 GLN HE21 H 1 6.810 0.030 . 2 . . . . 89 GLN HE21 . 11268 1 1082 . 1 1 89 89 GLN HE22 H 1 7.360 0.030 . 2 . . . . 89 GLN HE22 . 11268 1 1083 . 1 1 89 89 GLN HG2 H 1 2.296 0.030 . 1 . . . . 89 GLN HG2 . 11268 1 1084 . 1 1 89 89 GLN HG3 H 1 2.296 0.030 . 1 . . . . 89 GLN HG3 . 11268 1 1085 . 1 1 89 89 GLN C C 13 173.324 0.300 . 1 . . . . 89 GLN C . 11268 1 1086 . 1 1 89 89 GLN CA C 13 53.016 0.300 . 1 . . . . 89 GLN CA . 11268 1 1087 . 1 1 89 89 GLN CB C 13 29.711 0.300 . 1 . . . . 89 GLN CB . 11268 1 1088 . 1 1 89 89 GLN CG C 13 33.221 0.300 . 1 . . . . 89 GLN CG . 11268 1 1089 . 1 1 89 89 GLN N N 15 125.638 0.300 . 1 . . . . 89 GLN N . 11268 1 1090 . 1 1 89 89 GLN NE2 N 15 112.765 0.300 . 1 . . . . 89 GLN NE2 . 11268 1 1091 . 1 1 90 90 PRO HA H 1 3.905 0.030 . 1 . . . . 90 PRO HA . 11268 1 1092 . 1 1 90 90 PRO HB2 H 1 1.905 0.030 . 2 . . . . 90 PRO HB2 . 11268 1 1093 . 1 1 90 90 PRO HB3 H 1 1.643 0.030 . 2 . . . . 90 PRO HB3 . 11268 1 1094 . 1 1 90 90 PRO HD2 H 1 2.894 0.030 . 2 . . . . 90 PRO HD2 . 11268 1 1095 . 1 1 90 90 PRO HD3 H 1 3.280 0.030 . 2 . . . . 90 PRO HD3 . 11268 1 1096 . 1 1 90 90 PRO HG2 H 1 0.832 0.030 . 2 . . . . 90 PRO HG2 . 11268 1 1097 . 1 1 90 90 PRO HG3 H 1 1.664 0.030 . 2 . . . . 90 PRO HG3 . 11268 1 1098 . 1 1 90 90 PRO C C 13 177.338 0.300 . 1 . . . . 90 PRO C . 11268 1 1099 . 1 1 90 90 PRO CA C 13 63.850 0.300 . 1 . . . . 90 PRO CA . 11268 1 1100 . 1 1 90 90 PRO CB C 13 31.174 0.300 . 1 . . . . 90 PRO CB . 11268 1 1101 . 1 1 90 90 PRO CD C 13 50.039 0.300 . 1 . . . . 90 PRO CD . 11268 1 1102 . 1 1 90 90 PRO CG C 13 27.582 0.300 . 1 . . . . 90 PRO CG . 11268 1 1103 . 1 1 91 91 GLY H H 1 8.795 0.030 . 1 . . . . 91 GLY H . 11268 1 1104 . 1 1 91 91 GLY HA2 H 1 3.233 0.030 . 2 . . . . 91 GLY HA2 . 11268 1 1105 . 1 1 91 91 GLY HA3 H 1 4.165 0.030 . 2 . . . . 91 GLY HA3 . 11268 1 1106 . 1 1 91 91 GLY C C 13 174.717 0.300 . 1 . . . . 91 GLY C . 11268 1 1107 . 1 1 91 91 GLY CA C 13 44.785 0.300 . 1 . . . . 91 GLY CA . 11268 1 1108 . 1 1 91 91 GLY N N 15 111.913 0.300 . 1 . . . . 91 GLY N . 11268 1 1109 . 1 1 92 92 SER H H 1 7.941 0.030 . 1 . . . . 92 SER H . 11268 1 1110 . 1 1 92 92 SER HA H 1 4.544 0.030 . 1 . . . . 92 SER HA . 11268 1 1111 . 1 1 92 92 SER HB2 H 1 4.068 0.030 . 2 . . . . 92 SER HB2 . 11268 1 1112 . 1 1 92 92 SER HB3 H 1 3.919 0.030 . 2 . . . . 92 SER HB3 . 11268 1 1113 . 1 1 92 92 SER C C 13 171.239 0.300 . 1 . . . . 92 SER C . 11268 1 1114 . 1 1 92 92 SER CA C 13 60.613 0.300 . 1 . . . . 92 SER CA . 11268 1 1115 . 1 1 92 92 SER CB C 13 64.815 0.300 . 1 . . . . 92 SER CB . 11268 1 1116 . 1 1 92 92 SER N N 15 117.483 0.300 . 1 . . . . 92 SER N . 11268 1 1117 . 1 1 93 93 THR H H 1 8.702 0.030 . 1 . . . . 93 THR H . 11268 1 1118 . 1 1 93 93 THR HA H 1 5.317 0.030 . 1 . . . . 93 THR HA . 11268 1 1119 . 1 1 93 93 THR HB H 1 4.010 0.030 . 1 . . . . 93 THR HB . 11268 1 1120 . 1 1 93 93 THR HG21 H 1 0.753 0.030 . 1 . . . . 93 THR HG2 . 11268 1 1121 . 1 1 93 93 THR HG22 H 1 0.753 0.030 . 1 . . . . 93 THR HG2 . 11268 1 1122 . 1 1 93 93 THR HG23 H 1 0.753 0.030 . 1 . . . . 93 THR HG2 . 11268 1 1123 . 1 1 93 93 THR C C 13 174.497 0.300 . 1 . . . . 93 THR C . 11268 1 1124 . 1 1 93 93 THR CA C 13 61.985 0.300 . 1 . . . . 93 THR CA . 11268 1 1125 . 1 1 93 93 THR CB C 13 70.238 0.300 . 1 . . . . 93 THR CB . 11268 1 1126 . 1 1 93 93 THR CG2 C 13 21.205 0.300 . 1 . . . . 93 THR CG2 . 11268 1 1127 . 1 1 93 93 THR N N 15 117.842 0.300 . 1 . . . . 93 THR N . 11268 1 1128 . 1 1 94 94 VAL H H 1 9.006 0.030 . 1 . . . . 94 VAL H . 11268 1 1129 . 1 1 94 94 VAL HA H 1 4.887 0.030 . 1 . . . . 94 VAL HA . 11268 1 1130 . 1 1 94 94 VAL HB H 1 1.932 0.030 . 1 . . . . 94 VAL HB . 11268 1 1131 . 1 1 94 94 VAL HG11 H 1 0.866 0.030 . 1 . . . . 94 VAL HG1 . 11268 1 1132 . 1 1 94 94 VAL HG12 H 1 0.866 0.030 . 1 . . . . 94 VAL HG1 . 11268 1 1133 . 1 1 94 94 VAL HG13 H 1 0.866 0.030 . 1 . . . . 94 VAL HG1 . 11268 1 1134 . 1 1 94 94 VAL HG21 H 1 0.848 0.030 . 1 . . . . 94 VAL HG2 . 11268 1 1135 . 1 1 94 94 VAL HG22 H 1 0.848 0.030 . 1 . . . . 94 VAL HG2 . 11268 1 1136 . 1 1 94 94 VAL HG23 H 1 0.848 0.030 . 1 . . . . 94 VAL HG2 . 11268 1 1137 . 1 1 94 94 VAL C C 13 173.419 0.300 . 1 . . . . 94 VAL C . 11268 1 1138 . 1 1 94 94 VAL CA C 13 59.912 0.300 . 1 . . . . 94 VAL CA . 11268 1 1139 . 1 1 94 94 VAL CB C 13 34.562 0.300 . 1 . . . . 94 VAL CB . 11268 1 1140 . 1 1 94 94 VAL CG1 C 13 21.969 0.300 . 2 . . . . 94 VAL CG1 . 11268 1 1141 . 1 1 94 94 VAL CG2 C 13 20.422 0.300 . 2 . . . . 94 VAL CG2 . 11268 1 1142 . 1 1 94 94 VAL N N 15 122.053 0.300 . 1 . . . . 94 VAL N . 11268 1 1143 . 1 1 95 95 HIS H H 1 9.083 0.030 . 1 . . . . 95 HIS H . 11268 1 1144 . 1 1 95 95 HIS HA H 1 5.385 0.030 . 1 . . . . 95 HIS HA . 11268 1 1145 . 1 1 95 95 HIS HB2 H 1 2.678 0.030 . 2 . . . . 95 HIS HB2 . 11268 1 1146 . 1 1 95 95 HIS HB3 H 1 3.008 0.030 . 2 . . . . 95 HIS HB3 . 11268 1 1147 . 1 1 95 95 HIS HD2 H 1 6.771 0.030 . 1 . . . . 95 HIS HD2 . 11268 1 1148 . 1 1 95 95 HIS HE1 H 1 7.608 0.030 . 1 . . . . 95 HIS HE1 . 11268 1 1149 . 1 1 95 95 HIS C C 13 175.256 0.300 . 1 . . . . 95 HIS C . 11268 1 1150 . 1 1 95 95 HIS CA C 13 55.525 0.300 . 1 . . . . 95 HIS CA . 11268 1 1151 . 1 1 95 95 HIS CB C 13 33.164 0.300 . 1 . . . . 95 HIS CB . 11268 1 1152 . 1 1 95 95 HIS CD2 C 13 118.238 0.300 . 1 . . . . 95 HIS CD2 . 11268 1 1153 . 1 1 95 95 HIS CE1 C 13 138.566 0.300 . 1 . . . . 95 HIS CE1 . 11268 1 1154 . 1 1 95 95 HIS N N 15 122.985 0.300 . 1 . . . . 95 HIS N . 11268 1 1155 . 1 1 96 96 VAL H H 1 8.925 0.030 . 1 . . . . 96 VAL H . 11268 1 1156 . 1 1 96 96 VAL HA H 1 4.562 0.030 . 1 . . . . 96 VAL HA . 11268 1 1157 . 1 1 96 96 VAL HB H 1 1.993 0.030 . 1 . . . . 96 VAL HB . 11268 1 1158 . 1 1 96 96 VAL HG11 H 1 0.813 0.030 . 1 . . . . 96 VAL HG1 . 11268 1 1159 . 1 1 96 96 VAL HG12 H 1 0.813 0.030 . 1 . . . . 96 VAL HG1 . 11268 1 1160 . 1 1 96 96 VAL HG13 H 1 0.813 0.030 . 1 . . . . 96 VAL HG1 . 11268 1 1161 . 1 1 96 96 VAL HG21 H 1 0.764 0.030 . 1 . . . . 96 VAL HG2 . 11268 1 1162 . 1 1 96 96 VAL HG22 H 1 0.764 0.030 . 1 . . . . 96 VAL HG2 . 11268 1 1163 . 1 1 96 96 VAL HG23 H 1 0.764 0.030 . 1 . . . . 96 VAL HG2 . 11268 1 1164 . 1 1 96 96 VAL C C 13 174.962 0.300 . 1 . . . . 96 VAL C . 11268 1 1165 . 1 1 96 96 VAL CA C 13 61.385 0.300 . 1 . . . . 96 VAL CA . 11268 1 1166 . 1 1 96 96 VAL CB C 13 33.712 0.300 . 1 . . . . 96 VAL CB . 11268 1 1167 . 1 1 96 96 VAL CG1 C 13 21.941 0.300 . 2 . . . . 96 VAL CG1 . 11268 1 1168 . 1 1 96 96 VAL CG2 C 13 22.186 0.300 . 2 . . . . 96 VAL CG2 . 11268 1 1169 . 1 1 96 96 VAL N N 15 121.228 0.300 . 1 . . . . 96 VAL N . 11268 1 1170 . 1 1 97 97 LEU H H 1 8.993 0.030 . 1 . . . . 97 LEU H . 11268 1 1171 . 1 1 97 97 LEU HA H 1 4.743 0.030 . 1 . . . . 97 LEU HA . 11268 1 1172 . 1 1 97 97 LEU HB2 H 1 1.169 0.030 . 2 . . . . 97 LEU HB2 . 11268 1 1173 . 1 1 97 97 LEU HB3 H 1 1.672 0.030 . 2 . . . . 97 LEU HB3 . 11268 1 1174 . 1 1 97 97 LEU HD11 H 1 0.783 0.030 . 1 . . . . 97 LEU HD1 . 11268 1 1175 . 1 1 97 97 LEU HD12 H 1 0.783 0.030 . 1 . . . . 97 LEU HD1 . 11268 1 1176 . 1 1 97 97 LEU HD13 H 1 0.783 0.030 . 1 . . . . 97 LEU HD1 . 11268 1 1177 . 1 1 97 97 LEU HD21 H 1 0.825 0.030 . 1 . . . . 97 LEU HD2 . 11268 1 1178 . 1 1 97 97 LEU HD22 H 1 0.825 0.030 . 1 . . . . 97 LEU HD2 . 11268 1 1179 . 1 1 97 97 LEU HD23 H 1 0.825 0.030 . 1 . . . . 97 LEU HD2 . 11268 1 1180 . 1 1 97 97 LEU HG H 1 1.528 0.030 . 1 . . . . 97 LEU HG . 11268 1 1181 . 1 1 97 97 LEU C C 13 175.624 0.300 . 1 . . . . 97 LEU C . 11268 1 1182 . 1 1 97 97 LEU CA C 13 53.473 0.300 . 1 . . . . 97 LEU CA . 11268 1 1183 . 1 1 97 97 LEU CB C 13 45.989 0.300 . 1 . . . . 97 LEU CB . 11268 1 1184 . 1 1 97 97 LEU CD1 C 13 25.930 0.300 . 2 . . . . 97 LEU CD1 . 11268 1 1185 . 1 1 97 97 LEU CD2 C 13 24.203 0.300 . 2 . . . . 97 LEU CD2 . 11268 1 1186 . 1 1 97 97 LEU CG C 13 27.531 0.300 . 1 . . . . 97 LEU CG . 11268 1 1187 . 1 1 97 97 LEU N N 15 131.743 0.300 . 1 . . . . 97 LEU N . 11268 1 1188 . 1 1 98 98 ARG H H 1 9.187 0.030 . 1 . . . . 98 ARG H . 11268 1 1189 . 1 1 98 98 ARG HA H 1 4.442 0.030 . 1 . . . . 98 ARG HA . 11268 1 1190 . 1 1 98 98 ARG HB2 H 1 1.775 0.030 . 2 . . . . 98 ARG HB2 . 11268 1 1191 . 1 1 98 98 ARG HB3 H 1 1.855 0.030 . 2 . . . . 98 ARG HB3 . 11268 1 1192 . 1 1 98 98 ARG HD2 H 1 3.147 0.030 . 1 . . . . 98 ARG HD2 . 11268 1 1193 . 1 1 98 98 ARG HD3 H 1 3.147 0.030 . 1 . . . . 98 ARG HD3 . 11268 1 1194 . 1 1 98 98 ARG HG2 H 1 1.602 0.030 . 2 . . . . 98 ARG HG2 . 11268 1 1195 . 1 1 98 98 ARG HG3 H 1 1.726 0.030 . 2 . . . . 98 ARG HG3 . 11268 1 1196 . 1 1 98 98 ARG C C 13 176.971 0.300 . 1 . . . . 98 ARG C . 11268 1 1197 . 1 1 98 98 ARG CA C 13 56.955 0.300 . 1 . . . . 98 ARG CA . 11268 1 1198 . 1 1 98 98 ARG CB C 13 30.277 0.300 . 1 . . . . 98 ARG CB . 11268 1 1199 . 1 1 98 98 ARG CD C 13 43.276 0.300 . 1 . . . . 98 ARG CD . 11268 1 1200 . 1 1 98 98 ARG CG C 13 28.069 0.300 . 1 . . . . 98 ARG CG . 11268 1 1201 . 1 1 98 98 ARG N N 15 125.547 0.300 . 1 . . . . 98 ARG N . 11268 1 1202 . 1 1 99 99 LYS H H 1 8.349 0.030 . 1 . . . . 99 LYS H . 11268 1 1203 . 1 1 99 99 LYS HA H 1 4.155 0.030 . 1 . . . . 99 LYS HA . 11268 1 1204 . 1 1 99 99 LYS HB2 H 1 1.654 0.030 . 2 . . . . 99 LYS HB2 . 11268 1 1205 . 1 1 99 99 LYS HB3 H 1 1.403 0.030 . 2 . . . . 99 LYS HB3 . 11268 1 1206 . 1 1 99 99 LYS HD2 H 1 1.522 0.030 . 2 . . . . 99 LYS HD2 . 11268 1 1207 . 1 1 99 99 LYS HD3 H 1 1.570 0.030 . 2 . . . . 99 LYS HD3 . 11268 1 1208 . 1 1 99 99 LYS HE2 H 1 2.751 0.030 . 1 . . . . 99 LYS HE2 . 11268 1 1209 . 1 1 99 99 LYS HE3 H 1 2.751 0.030 . 1 . . . . 99 LYS HE3 . 11268 1 1210 . 1 1 99 99 LYS HG2 H 1 0.999 0.030 . 2 . . . . 99 LYS HG2 . 11268 1 1211 . 1 1 99 99 LYS HG3 H 1 1.287 0.030 . 2 . . . . 99 LYS HG3 . 11268 1 1212 . 1 1 99 99 LYS C C 13 176.677 0.300 . 1 . . . . 99 LYS C . 11268 1 1213 . 1 1 99 99 LYS CA C 13 57.088 0.300 . 1 . . . . 99 LYS CA . 11268 1 1214 . 1 1 99 99 LYS CB C 13 33.742 0.300 . 1 . . . . 99 LYS CB . 11268 1 1215 . 1 1 99 99 LYS CD C 13 29.786 0.300 . 1 . . . . 99 LYS CD . 11268 1 1216 . 1 1 99 99 LYS CE C 13 42.289 0.300 . 1 . . . . 99 LYS CE . 11268 1 1217 . 1 1 99 99 LYS CG C 13 26.012 0.300 . 1 . . . . 99 LYS CG . 11268 1 1218 . 1 1 99 99 LYS N N 15 124.317 0.300 . 1 . . . . 99 LYS N . 11268 1 1219 . 1 1 100 100 SER H H 1 8.264 0.030 . 1 . . . . 100 SER H . 11268 1 1220 . 1 1 100 100 SER HA H 1 4.389 0.030 . 1 . . . . 100 SER HA . 11268 1 1221 . 1 1 100 100 SER HB2 H 1 3.801 0.030 . 1 . . . . 100 SER HB2 . 11268 1 1222 . 1 1 100 100 SER HB3 H 1 3.801 0.030 . 1 . . . . 100 SER HB3 . 11268 1 1223 . 1 1 100 100 SER C C 13 173.958 0.300 . 1 . . . . 100 SER C . 11268 1 1224 . 1 1 100 100 SER CA C 13 58.116 0.300 . 1 . . . . 100 SER CA . 11268 1 1225 . 1 1 100 100 SER CB C 13 63.828 0.300 . 1 . . . . 100 SER CB . 11268 1 1226 . 1 1 100 100 SER N N 15 115.215 0.300 . 1 . . . . 100 SER N . 11268 1 1227 . 1 1 101 101 TRP H H 1 8.219 0.030 . 1 . . . . 101 TRP H . 11268 1 1228 . 1 1 101 101 TRP HA H 1 4.674 0.030 . 1 . . . . 101 TRP HA . 11268 1 1229 . 1 1 101 101 TRP HB2 H 1 3.216 0.030 . 2 . . . . 101 TRP HB2 . 11268 1 1230 . 1 1 101 101 TRP HB3 H 1 3.274 0.030 . 2 . . . . 101 TRP HB3 . 11268 1 1231 . 1 1 101 101 TRP HD1 H 1 7.239 0.030 . 1 . . . . 101 TRP HD1 . 11268 1 1232 . 1 1 101 101 TRP HE1 H 1 10.109 0.030 . 1 . . . . 101 TRP HE1 . 11268 1 1233 . 1 1 101 101 TRP HE3 H 1 7.557 0.030 . 1 . . . . 101 TRP HE3 . 11268 1 1234 . 1 1 101 101 TRP HH2 H 1 7.177 0.030 . 1 . . . . 101 TRP HH2 . 11268 1 1235 . 1 1 101 101 TRP HZ2 H 1 7.437 0.030 . 1 . . . . 101 TRP HZ2 . 11268 1 1236 . 1 1 101 101 TRP HZ3 H 1 7.082 0.030 . 1 . . . . 101 TRP HZ3 . 11268 1 1237 . 1 1 101 101 TRP C C 13 175.942 0.300 . 1 . . . . 101 TRP C . 11268 1 1238 . 1 1 101 101 TRP CA C 13 57.588 0.300 . 1 . . . . 101 TRP CA . 11268 1 1239 . 1 1 101 101 TRP CB C 13 29.965 0.300 . 1 . . . . 101 TRP CB . 11268 1 1240 . 1 1 101 101 TRP CD1 C 13 127.449 0.300 . 1 . . . . 101 TRP CD1 . 11268 1 1241 . 1 1 101 101 TRP CE3 C 13 120.982 0.300 . 1 . . . . 101 TRP CE3 . 11268 1 1242 . 1 1 101 101 TRP CH2 C 13 124.657 0.300 . 1 . . . . 101 TRP CH2 . 11268 1 1243 . 1 1 101 101 TRP CZ2 C 13 114.507 0.300 . 1 . . . . 101 TRP CZ2 . 11268 1 1244 . 1 1 101 101 TRP CZ3 C 13 122.147 0.300 . 1 . . . . 101 TRP CZ3 . 11268 1 1245 . 1 1 101 101 TRP N N 15 123.511 0.300 . 1 . . . . 101 TRP N . 11268 1 1246 . 1 1 101 101 TRP NE1 N 15 129.659 0.300 . 1 . . . . 101 TRP NE1 . 11268 1 1247 . 1 1 102 102 SER H H 1 8.075 0.030 . 1 . . . . 102 SER H . 11268 1 1248 . 1 1 102 102 SER HA H 1 4.338 0.030 . 1 . . . . 102 SER HA . 11268 1 1249 . 1 1 102 102 SER HB2 H 1 3.835 0.030 . 2 . . . . 102 SER HB2 . 11268 1 1250 . 1 1 102 102 SER HB3 H 1 3.683 0.030 . 2 . . . . 102 SER HB3 . 11268 1 1251 . 1 1 102 102 SER C C 13 173.860 0.300 . 1 . . . . 102 SER C . 11268 1 1252 . 1 1 102 102 SER CA C 13 57.835 0.300 . 1 . . . . 102 SER CA . 11268 1 1253 . 1 1 102 102 SER CB C 13 64.075 0.300 . 1 . . . . 102 SER CB . 11268 1 1254 . 1 1 102 102 SER N N 15 118.768 0.300 . 1 . . . . 102 SER N . 11268 1 1255 . 1 1 103 103 GLY H H 1 7.247 0.030 . 1 . . . . 103 GLY H . 11268 1 1256 . 1 1 103 103 GLY C C 13 171.411 0.300 . 1 . . . . 103 GLY C . 11268 1 1257 . 1 1 103 103 GLY CA C 13 44.468 0.300 . 1 . . . . 103 GLY CA . 11268 1 1258 . 1 1 103 103 GLY N N 15 109.849 0.300 . 1 . . . . 103 GLY N . 11268 1 1259 . 1 1 104 104 PRO HA H 1 4.442 0.030 . 1 . . . . 104 PRO HA . 11268 1 1260 . 1 1 104 104 PRO HB2 H 1 1.956 0.030 . 2 . . . . 104 PRO HB2 . 11268 1 1261 . 1 1 104 104 PRO HB3 H 1 2.292 0.030 . 2 . . . . 104 PRO HB3 . 11268 1 1262 . 1 1 104 104 PRO HD2 H 1 3.564 0.030 . 1 . . . . 104 PRO HD2 . 11268 1 1263 . 1 1 104 104 PRO HD3 H 1 3.564 0.030 . 1 . . . . 104 PRO HD3 . 11268 1 1264 . 1 1 104 104 PRO HG2 H 1 2.000 0.030 . 1 . . . . 104 PRO HG2 . 11268 1 1265 . 1 1 104 104 PRO HG3 H 1 2.000 0.030 . 1 . . . . 104 PRO HG3 . 11268 1 1266 . 1 1 104 104 PRO C C 13 177.363 0.300 . 1 . . . . 104 PRO C . 11268 1 1267 . 1 1 104 104 PRO CA C 13 63.181 0.300 . 1 . . . . 104 PRO CA . 11268 1 1268 . 1 1 104 104 PRO CB C 13 32.095 0.300 . 1 . . . . 104 PRO CB . 11268 1 1269 . 1 1 104 104 PRO CD C 13 49.770 0.300 . 1 . . . . 104 PRO CD . 11268 1 1270 . 1 1 104 104 PRO CG C 13 27.080 0.300 . 1 . . . . 104 PRO CG . 11268 1 1271 . 1 1 105 105 SER H H 1 8.522 0.030 . 1 . . . . 105 SER H . 11268 1 1272 . 1 1 105 105 SER HA H 1 4.457 0.030 . 1 . . . . 105 SER HA . 11268 1 1273 . 1 1 105 105 SER HB2 H 1 3.859 0.030 . 1 . . . . 105 SER HB2 . 11268 1 1274 . 1 1 105 105 SER HB3 H 1 3.859 0.030 . 1 . . . . 105 SER HB3 . 11268 1 1275 . 1 1 105 105 SER C C 13 174.644 0.300 . 1 . . . . 105 SER C . 11268 1 1276 . 1 1 105 105 SER CA C 13 58.433 0.300 . 1 . . . . 105 SER CA . 11268 1 1277 . 1 1 105 105 SER CB C 13 63.746 0.300 . 1 . . . . 105 SER CB . 11268 1 1278 . 1 1 105 105 SER N N 15 116.492 0.300 . 1 . . . . 105 SER N . 11268 1 1279 . 1 1 106 106 SER H H 1 8.295 0.030 . 1 . . . . 106 SER H . 11268 1 1280 . 1 1 106 106 SER C C 13 173.881 0.300 . 1 . . . . 106 SER C . 11268 1 1281 . 1 1 106 106 SER CA C 13 58.433 0.300 . 1 . . . . 106 SER CA . 11268 1 1282 . 1 1 106 106 SER CB C 13 63.746 0.300 . 1 . . . . 106 SER CB . 11268 1 1283 . 1 1 106 106 SER N N 15 117.793 0.300 . 1 . . . . 106 SER N . 11268 1 stop_ save_