data_11280 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11280 _Entry.Title ; 2DZJ/Solution Structure of the N-terminal Ubiquitin-like Domain in Human Synaptic Glycoprotein SC2 ; _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 . . . 11280 2 M. Yoneyama . . . 11280 3 S. Koshiba . . . 11280 4 S. Watanabe . . . 11280 5 T. Harada . . . 11280 6 T. Kigawa . . . 11280 7 S. Yokoyama . . . 11280 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)' . 11280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 11280 '15N chemical shifts' 82 11280 '1H chemical shifts' 602 11280 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 . 11280 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DZJ 'BMRB Entry Tracking System' 11280 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11280 _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 ; 2DZJ/Solution Structure of the N-terminal Ubiquitin-like Domain in Human Synaptic Glycoprotein SC2 ; _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 . . . 11280 1 2 M. Yoneyama . . . 11280 1 3 S. Koshiba . . . 11280 1 4 S. Watanabe . . . 11280 1 5 T. Harada . . . 11280 1 6 T. Kigawa . . . 11280 1 7 S. Yokoyama . . . 11280 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11280 _Assembly.ID 1 _Assembly.Name 'Synaptic glycoprotein SC2' _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 . . . 11280 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 2dzj . . . . . . 11280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11280 _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 ; GSSGSSGMKHYEVEILDAKT REKLCFLDKVEPHATIAEIK NLFTKTHPQWYPARQSLRLD PKGKSLKDEDVLQKLPVGTT ATLYFRDL ; _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 88 _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 2DZJ . "2dzjSOLUTION STRUCTURE OF THE N-Terminal Ubiquitin-Like Domain In Human Synaptic Glycoprotein Sc2" . . . . . 100.00 88 100.00 100.00 2.77e-57 . . . . 11280 1 2 no DBJ BAE88553 . "unnamed protein product [Macaca fascicularis]" . . . . . 92.05 309 98.77 100.00 4.98e-49 . . . . 11280 1 3 no DBJ BAE90144 . "unnamed protein product [Macaca fascicularis]" . . . . . 92.05 308 98.77 100.00 4.97e-49 . . . . 11280 1 4 no DBJ BAG37802 . "unnamed protein product [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 5 no DBJ BAG50909 . "unnamed protein product [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.03e-49 . . . . 11280 1 6 no DBJ BAI47191 . "trans-2,3-enoyl-CoA reductase [synthetic construct]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 7 no EMBL CAG33173 . "GPSN2 [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 8 no GB AAF32373 . "synaptic glycoprotein SC2 [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 9 no GB AAH00174 . "Unknown (protein for IMAGE:2901253), partial [Homo sapiens]" . . . . . 87.50 304 100.00 100.00 1.07e-45 . . . . 11280 1 10 no GB AAH02425 . "Glycoprotein, synaptic 2 [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 11 no GB AAH05952 . "Glycoprotein, synaptic 2 [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 12 no GB AAH07801 . "Glycoprotein, synaptic 2 [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 13 no REF NP_001029920 . "very-long-chain enoyl-CoA reductase [Bos taurus]" . . . . . 92.05 308 98.77 98.77 4.14e-48 . . . . 11280 1 14 no REF NP_001231519 . "trans-2,3-enoyl-CoA reductase [Macaca mulatta]" . . . . . 92.05 308 98.77 100.00 4.61e-49 . . . . 11280 1 15 no REF NP_001270331 . "uncharacterized protein LOC101926702 [Macaca fascicularis]" . . . . . 92.05 308 98.77 100.00 4.97e-49 . . . . 11280 1 16 no REF NP_612510 . "very-long-chain enoyl-CoA reductase [Homo sapiens]" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 17 no REF XP_001498421 . "PREDICTED: very-long-chain enoyl-CoA reductase isoform X1 [Equus caballus]" . . . . . 92.05 308 97.53 98.77 1.30e-47 . . . . 11280 1 18 no SP Q3ZCD7 . "RecName: Full=Very-long-chain enoyl-CoA reductase; AltName: Full=Synaptic glycoprotein SC2; AltName: Full=Trans-2,3-enoyl-CoA r" . . . . . 92.05 308 98.77 98.77 4.14e-48 . . . . 11280 1 19 no SP Q9NZ01 . "RecName: Full=Very-long-chain enoyl-CoA reductase; AltName: Full=Synaptic glycoprotein SC2; AltName: Full=Trans-2,3-enoyl-CoA r" . . . . . 92.05 308 100.00 100.00 3.07e-49 . . . . 11280 1 20 no TPG DAA28092 . "TPA: trans-2,3-enoyl-CoA reductase [Bos taurus]" . . . . . 92.05 308 98.77 98.77 4.14e-48 . . . . 11280 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11280 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 . 11280 1 2 . SER . 11280 1 3 . SER . 11280 1 4 . GLY . 11280 1 5 . SER . 11280 1 6 . SER . 11280 1 7 . GLY . 11280 1 8 . MET . 11280 1 9 . LYS . 11280 1 10 . HIS . 11280 1 11 . TYR . 11280 1 12 . GLU . 11280 1 13 . VAL . 11280 1 14 . GLU . 11280 1 15 . ILE . 11280 1 16 . LEU . 11280 1 17 . ASP . 11280 1 18 . ALA . 11280 1 19 . LYS . 11280 1 20 . THR . 11280 1 21 . ARG . 11280 1 22 . GLU . 11280 1 23 . LYS . 11280 1 24 . LEU . 11280 1 25 . CYS . 11280 1 26 . PHE . 11280 1 27 . LEU . 11280 1 28 . ASP . 11280 1 29 . LYS . 11280 1 30 . VAL . 11280 1 31 . GLU . 11280 1 32 . PRO . 11280 1 33 . HIS . 11280 1 34 . ALA . 11280 1 35 . THR . 11280 1 36 . ILE . 11280 1 37 . ALA . 11280 1 38 . GLU . 11280 1 39 . ILE . 11280 1 40 . LYS . 11280 1 41 . ASN . 11280 1 42 . LEU . 11280 1 43 . PHE . 11280 1 44 . THR . 11280 1 45 . LYS . 11280 1 46 . THR . 11280 1 47 . HIS . 11280 1 48 . PRO . 11280 1 49 . GLN . 11280 1 50 . TRP . 11280 1 51 . TYR . 11280 1 52 . PRO . 11280 1 53 . ALA . 11280 1 54 . ARG . 11280 1 55 . GLN . 11280 1 56 . SER . 11280 1 57 . LEU . 11280 1 58 . ARG . 11280 1 59 . LEU . 11280 1 60 . ASP . 11280 1 61 . PRO . 11280 1 62 . LYS . 11280 1 63 . GLY . 11280 1 64 . LYS . 11280 1 65 . SER . 11280 1 66 . LEU . 11280 1 67 . LYS . 11280 1 68 . ASP . 11280 1 69 . GLU . 11280 1 70 . ASP . 11280 1 71 . VAL . 11280 1 72 . LEU . 11280 1 73 . GLN . 11280 1 74 . LYS . 11280 1 75 . LEU . 11280 1 76 . PRO . 11280 1 77 . VAL . 11280 1 78 . GLY . 11280 1 79 . THR . 11280 1 80 . THR . 11280 1 81 . ALA . 11280 1 82 . THR . 11280 1 83 . LEU . 11280 1 84 . TYR . 11280 1 85 . PHE . 11280 1 86 . ARG . 11280 1 87 . ASP . 11280 1 88 . LEU . 11280 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 11280 1 . SER 2 2 11280 1 . SER 3 3 11280 1 . GLY 4 4 11280 1 . SER 5 5 11280 1 . SER 6 6 11280 1 . GLY 7 7 11280 1 . MET 8 8 11280 1 . LYS 9 9 11280 1 . HIS 10 10 11280 1 . TYR 11 11 11280 1 . GLU 12 12 11280 1 . VAL 13 13 11280 1 . GLU 14 14 11280 1 . ILE 15 15 11280 1 . LEU 16 16 11280 1 . ASP 17 17 11280 1 . ALA 18 18 11280 1 . LYS 19 19 11280 1 . THR 20 20 11280 1 . ARG 21 21 11280 1 . GLU 22 22 11280 1 . LYS 23 23 11280 1 . LEU 24 24 11280 1 . CYS 25 25 11280 1 . PHE 26 26 11280 1 . LEU 27 27 11280 1 . ASP 28 28 11280 1 . LYS 29 29 11280 1 . VAL 30 30 11280 1 . GLU 31 31 11280 1 . PRO 32 32 11280 1 . HIS 33 33 11280 1 . ALA 34 34 11280 1 . THR 35 35 11280 1 . ILE 36 36 11280 1 . ALA 37 37 11280 1 . GLU 38 38 11280 1 . ILE 39 39 11280 1 . LYS 40 40 11280 1 . ASN 41 41 11280 1 . LEU 42 42 11280 1 . PHE 43 43 11280 1 . THR 44 44 11280 1 . LYS 45 45 11280 1 . THR 46 46 11280 1 . HIS 47 47 11280 1 . PRO 48 48 11280 1 . GLN 49 49 11280 1 . TRP 50 50 11280 1 . TYR 51 51 11280 1 . PRO 52 52 11280 1 . ALA 53 53 11280 1 . ARG 54 54 11280 1 . GLN 55 55 11280 1 . SER 56 56 11280 1 . LEU 57 57 11280 1 . ARG 58 58 11280 1 . LEU 59 59 11280 1 . ASP 60 60 11280 1 . PRO 61 61 11280 1 . LYS 62 62 11280 1 . GLY 63 63 11280 1 . LYS 64 64 11280 1 . SER 65 65 11280 1 . LEU 66 66 11280 1 . LYS 67 67 11280 1 . ASP 68 68 11280 1 . GLU 69 69 11280 1 . ASP 70 70 11280 1 . VAL 71 71 11280 1 . LEU 72 72 11280 1 . GLN 73 73 11280 1 . LYS 74 74 11280 1 . LEU 75 75 11280 1 . PRO 76 76 11280 1 . VAL 77 77 11280 1 . GLY 78 78 11280 1 . THR 79 79 11280 1 . THR 80 80 11280 1 . ALA 81 81 11280 1 . THR 82 82 11280 1 . LEU 83 83 11280 1 . TYR 84 84 11280 1 . PHE 85 85 11280 1 . ARG 86 86 11280 1 . ASP 87 87 11280 1 . LEU 88 88 11280 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 11280 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11280 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 11280 _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 . . P060522-14 . . . . . . 11280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11280 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.10mM ubiquitin-like domain U-15N, {13C;} 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.10 . . mM . . . . 11280 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11280 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11280 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11280 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11280 1 6 H2O . . . . . . solvent 90 . . % . . . . 11280 1 7 D2O . . . . . . solvent 10 . . % . . . . 11280 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 11280 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11280 1 pH 7.0 0.05 pH 11280 1 pressure 1 0.001 atm 11280 1 temperature 296.0 0.1 K 11280 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11280 _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 . . 11280 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11280 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11280 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11280 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11280 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11280 _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.' . . 11280 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11280 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11280 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9748 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11280 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11280 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11280 _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.' . . 11280 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11280 5 'structure solution' 11280 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 11280 _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 11280 _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 . . . 11280 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 11280 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11280 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11280 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 11280 _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 . . . . . . . . . 11280 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11280 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11280 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 11280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11280 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11280 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 . . 11280 1 2 $NMRPipe . . 11280 1 3 $NMRView . . 11280 1 4 $Kujira . . 11280 1 5 $CYANA . . 11280 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.952 0.030 . 1 . . . . 7 GLY HA2 . 11280 1 2 . 1 1 7 7 GLY HA3 H 1 3.952 0.030 . 1 . . . . 7 GLY HA3 . 11280 1 3 . 1 1 7 7 GLY C C 13 174.004 0.300 . 1 . . . . 7 GLY C . 11280 1 4 . 1 1 7 7 GLY CA C 13 45.318 0.300 . 1 . . . . 7 GLY CA . 11280 1 5 . 1 1 8 8 MET H H 1 8.117 0.030 . 1 . . . . 8 MET H . 11280 1 6 . 1 1 8 8 MET HA H 1 4.425 0.030 . 1 . . . . 8 MET HA . 11280 1 7 . 1 1 8 8 MET HB2 H 1 1.933 0.030 . 2 . . . . 8 MET HB2 . 11280 1 8 . 1 1 8 8 MET HB3 H 1 1.994 0.030 . 2 . . . . 8 MET HB3 . 11280 1 9 . 1 1 8 8 MET HE1 H 1 2.038 0.030 . 1 . . . . 8 MET HE . 11280 1 10 . 1 1 8 8 MET HE2 H 1 2.038 0.030 . 1 . . . . 8 MET HE . 11280 1 11 . 1 1 8 8 MET HE3 H 1 2.038 0.030 . 1 . . . . 8 MET HE . 11280 1 12 . 1 1 8 8 MET HG2 H 1 2.438 0.030 . 2 . . . . 8 MET HG2 . 11280 1 13 . 1 1 8 8 MET HG3 H 1 2.511 0.030 . 2 . . . . 8 MET HG3 . 11280 1 14 . 1 1 8 8 MET C C 13 175.851 0.300 . 1 . . . . 8 MET C . 11280 1 15 . 1 1 8 8 MET CA C 13 55.465 0.300 . 1 . . . . 8 MET CA . 11280 1 16 . 1 1 8 8 MET CB C 13 33.048 0.300 . 1 . . . . 8 MET CB . 11280 1 17 . 1 1 8 8 MET CE C 13 17.030 0.300 . 1 . . . . 8 MET CE . 11280 1 18 . 1 1 8 8 MET CG C 13 31.935 0.300 . 1 . . . . 8 MET CG . 11280 1 19 . 1 1 8 8 MET N N 15 119.996 0.300 . 1 . . . . 8 MET N . 11280 1 20 . 1 1 9 9 LYS H H 1 8.338 0.030 . 1 . . . . 9 LYS H . 11280 1 21 . 1 1 9 9 LYS HA H 1 4.317 0.030 . 1 . . . . 9 LYS HA . 11280 1 22 . 1 1 9 9 LYS HB2 H 1 1.684 0.030 . 2 . . . . 9 LYS HB2 . 11280 1 23 . 1 1 9 9 LYS HB3 H 1 1.766 0.030 . 2 . . . . 9 LYS HB3 . 11280 1 24 . 1 1 9 9 LYS HD2 H 1 1.640 0.030 . 2 . . . . 9 LYS HD2 . 11280 1 25 . 1 1 9 9 LYS HE2 H 1 2.927 0.030 . 2 . . . . 9 LYS HE2 . 11280 1 26 . 1 1 9 9 LYS HG2 H 1 1.278 0.030 . 2 . . . . 9 LYS HG2 . 11280 1 27 . 1 1 9 9 LYS C C 13 175.169 0.300 . 1 . . . . 9 LYS C . 11280 1 28 . 1 1 9 9 LYS CA C 13 56.115 0.300 . 1 . . . . 9 LYS CA . 11280 1 29 . 1 1 9 9 LYS CB C 13 33.168 0.300 . 1 . . . . 9 LYS CB . 11280 1 30 . 1 1 9 9 LYS CD C 13 28.976 0.300 . 1 . . . . 9 LYS CD . 11280 1 31 . 1 1 9 9 LYS CE C 13 42.129 0.300 . 1 . . . . 9 LYS CE . 11280 1 32 . 1 1 9 9 LYS CG C 13 24.783 0.300 . 1 . . . . 9 LYS CG . 11280 1 33 . 1 1 9 9 LYS N N 15 123.352 0.300 . 1 . . . . 9 LYS N . 11280 1 34 . 1 1 10 10 HIS H H 1 7.694 0.030 . 1 . . . . 10 HIS H . 11280 1 35 . 1 1 10 10 HIS HA H 1 4.694 0.030 . 1 . . . . 10 HIS HA . 11280 1 36 . 1 1 10 10 HIS HB2 H 1 2.921 0.030 . 2 . . . . 10 HIS HB2 . 11280 1 37 . 1 1 10 10 HIS HB3 H 1 3.084 0.030 . 2 . . . . 10 HIS HB3 . 11280 1 38 . 1 1 10 10 HIS HD2 H 1 6.700 0.030 . 1 . . . . 10 HIS HD2 . 11280 1 39 . 1 1 10 10 HIS HE1 H 1 7.811 0.030 . 1 . . . . 10 HIS HE1 . 11280 1 40 . 1 1 10 10 HIS C C 13 174.172 0.300 . 1 . . . . 10 HIS C . 11280 1 41 . 1 1 10 10 HIS CA C 13 56.600 0.300 . 1 . . . . 10 HIS CA . 11280 1 42 . 1 1 10 10 HIS CB C 13 32.912 0.300 . 1 . . . . 10 HIS CB . 11280 1 43 . 1 1 10 10 HIS CD2 C 13 119.200 0.300 . 1 . . . . 10 HIS CD2 . 11280 1 44 . 1 1 10 10 HIS CE1 C 13 138.063 0.300 . 1 . . . . 10 HIS CE1 . 11280 1 45 . 1 1 10 10 HIS N N 15 117.316 0.300 . 1 . . . . 10 HIS N . 11280 1 46 . 1 1 11 11 TYR H H 1 9.344 0.030 . 1 . . . . 11 TYR H . 11280 1 47 . 1 1 11 11 TYR HA H 1 4.970 0.030 . 1 . . . . 11 TYR HA . 11280 1 48 . 1 1 11 11 TYR HB2 H 1 2.401 0.030 . 2 . . . . 11 TYR HB2 . 11280 1 49 . 1 1 11 11 TYR HB3 H 1 2.632 0.030 . 2 . . . . 11 TYR HB3 . 11280 1 50 . 1 1 11 11 TYR HD1 H 1 6.983 0.030 . 1 . . . . 11 TYR HD1 . 11280 1 51 . 1 1 11 11 TYR HD2 H 1 6.983 0.030 . 1 . . . . 11 TYR HD2 . 11280 1 52 . 1 1 11 11 TYR HE1 H 1 6.590 0.030 . 1 . . . . 11 TYR HE1 . 11280 1 53 . 1 1 11 11 TYR HE2 H 1 6.590 0.030 . 1 . . . . 11 TYR HE2 . 11280 1 54 . 1 1 11 11 TYR C C 13 175.562 0.300 . 1 . . . . 11 TYR C . 11280 1 55 . 1 1 11 11 TYR CA C 13 57.212 0.300 . 1 . . . . 11 TYR CA . 11280 1 56 . 1 1 11 11 TYR CB C 13 41.273 0.300 . 1 . . . . 11 TYR CB . 11280 1 57 . 1 1 11 11 TYR CD1 C 13 132.698 0.300 . 1 . . . . 11 TYR CD1 . 11280 1 58 . 1 1 11 11 TYR CD2 C 13 132.698 0.300 . 1 . . . . 11 TYR CD2 . 11280 1 59 . 1 1 11 11 TYR CE1 C 13 118.011 0.300 . 1 . . . . 11 TYR CE1 . 11280 1 60 . 1 1 11 11 TYR CE2 C 13 118.011 0.300 . 1 . . . . 11 TYR CE2 . 11280 1 61 . 1 1 11 11 TYR N N 15 120.494 0.300 . 1 . . . . 11 TYR N . 11280 1 62 . 1 1 12 12 GLU H H 1 8.662 0.030 . 1 . . . . 12 GLU H . 11280 1 63 . 1 1 12 12 GLU HA H 1 4.876 0.030 . 1 . . . . 12 GLU HA . 11280 1 64 . 1 1 12 12 GLU HB2 H 1 1.996 0.030 . 2 . . . . 12 GLU HB2 . 11280 1 65 . 1 1 12 12 GLU HB3 H 1 2.062 0.030 . 2 . . . . 12 GLU HB3 . 11280 1 66 . 1 1 12 12 GLU HG2 H 1 2.406 0.030 . 2 . . . . 12 GLU HG2 . 11280 1 67 . 1 1 12 12 GLU HG3 H 1 2.467 0.030 . 2 . . . . 12 GLU HG3 . 11280 1 68 . 1 1 12 12 GLU C C 13 175.681 0.300 . 1 . . . . 12 GLU C . 11280 1 69 . 1 1 12 12 GLU CA C 13 54.497 0.300 . 1 . . . . 12 GLU CA . 11280 1 70 . 1 1 12 12 GLU CB C 13 32.182 0.300 . 1 . . . . 12 GLU CB . 11280 1 71 . 1 1 12 12 GLU CG C 13 36.128 0.300 . 1 . . . . 12 GLU CG . 11280 1 72 . 1 1 12 12 GLU N N 15 118.621 0.300 . 1 . . . . 12 GLU N . 11280 1 73 . 1 1 13 13 VAL H H 1 8.792 0.030 . 1 . . . . 13 VAL H . 11280 1 74 . 1 1 13 13 VAL HA H 1 4.916 0.030 . 1 . . . . 13 VAL HA . 11280 1 75 . 1 1 13 13 VAL HB H 1 1.809 0.030 . 1 . . . . 13 VAL HB . 11280 1 76 . 1 1 13 13 VAL HG11 H 1 0.639 0.030 . 1 . . . . 13 VAL HG1 . 11280 1 77 . 1 1 13 13 VAL HG12 H 1 0.639 0.030 . 1 . . . . 13 VAL HG1 . 11280 1 78 . 1 1 13 13 VAL HG13 H 1 0.639 0.030 . 1 . . . . 13 VAL HG1 . 11280 1 79 . 1 1 13 13 VAL HG21 H 1 0.712 0.030 . 1 . . . . 13 VAL HG2 . 11280 1 80 . 1 1 13 13 VAL HG22 H 1 0.712 0.030 . 1 . . . . 13 VAL HG2 . 11280 1 81 . 1 1 13 13 VAL HG23 H 1 0.712 0.030 . 1 . . . . 13 VAL HG2 . 11280 1 82 . 1 1 13 13 VAL C C 13 173.523 0.300 . 1 . . . . 13 VAL C . 11280 1 83 . 1 1 13 13 VAL CA C 13 60.512 0.300 . 1 . . . . 13 VAL CA . 11280 1 84 . 1 1 13 13 VAL CB C 13 35.480 0.300 . 1 . . . . 13 VAL CB . 11280 1 85 . 1 1 13 13 VAL CG1 C 13 21.069 0.300 . 2 . . . . 13 VAL CG1 . 11280 1 86 . 1 1 13 13 VAL CG2 C 13 22.057 0.300 . 2 . . . . 13 VAL CG2 . 11280 1 87 . 1 1 13 13 VAL N N 15 121.688 0.300 . 1 . . . . 13 VAL N . 11280 1 88 . 1 1 14 14 GLU H H 1 9.013 0.030 . 1 . . . . 14 GLU H . 11280 1 89 . 1 1 14 14 GLU HA H 1 5.083 0.030 . 1 . . . . 14 GLU HA . 11280 1 90 . 1 1 14 14 GLU HB2 H 1 1.903 0.030 . 2 . . . . 14 GLU HB2 . 11280 1 91 . 1 1 14 14 GLU HB3 H 1 2.054 0.030 . 2 . . . . 14 GLU HB3 . 11280 1 92 . 1 1 14 14 GLU HG2 H 1 2.255 0.030 . 2 . . . . 14 GLU HG2 . 11280 1 93 . 1 1 14 14 GLU C C 13 173.915 0.300 . 1 . . . . 14 GLU C . 11280 1 94 . 1 1 14 14 GLU CA C 13 53.880 0.300 . 1 . . . . 14 GLU CA . 11280 1 95 . 1 1 14 14 GLU CB C 13 32.401 0.300 . 1 . . . . 14 GLU CB . 11280 1 96 . 1 1 14 14 GLU CG C 13 36.374 0.300 . 1 . . . . 14 GLU CG . 11280 1 97 . 1 1 14 14 GLU N N 15 126.641 0.300 . 1 . . . . 14 GLU N . 11280 1 98 . 1 1 15 15 ILE H H 1 8.460 0.030 . 1 . . . . 15 ILE H . 11280 1 99 . 1 1 15 15 ILE HA H 1 4.682 0.030 . 1 . . . . 15 ILE HA . 11280 1 100 . 1 1 15 15 ILE HB H 1 1.430 0.030 . 1 . . . . 15 ILE HB . 11280 1 101 . 1 1 15 15 ILE HD11 H 1 0.349 0.030 . 1 . . . . 15 ILE HD1 . 11280 1 102 . 1 1 15 15 ILE HD12 H 1 0.349 0.030 . 1 . . . . 15 ILE HD1 . 11280 1 103 . 1 1 15 15 ILE HD13 H 1 0.349 0.030 . 1 . . . . 15 ILE HD1 . 11280 1 104 . 1 1 15 15 ILE HG12 H 1 1.201 0.030 . 2 . . . . 15 ILE HG12 . 11280 1 105 . 1 1 15 15 ILE HG13 H 1 0.565 0.030 . 2 . . . . 15 ILE HG13 . 11280 1 106 . 1 1 15 15 ILE HG21 H 1 0.223 0.030 . 1 . . . . 15 ILE HG2 . 11280 1 107 . 1 1 15 15 ILE HG22 H 1 0.223 0.030 . 1 . . . . 15 ILE HG2 . 11280 1 108 . 1 1 15 15 ILE HG23 H 1 0.223 0.030 . 1 . . . . 15 ILE HG2 . 11280 1 109 . 1 1 15 15 ILE C C 13 174.565 0.300 . 1 . . . . 15 ILE C . 11280 1 110 . 1 1 15 15 ILE CA C 13 59.773 0.300 . 1 . . . . 15 ILE CA . 11280 1 111 . 1 1 15 15 ILE CB C 13 38.404 0.300 . 1 . . . . 15 ILE CB . 11280 1 112 . 1 1 15 15 ILE CD1 C 13 12.699 0.300 . 1 . . . . 15 ILE CD1 . 11280 1 113 . 1 1 15 15 ILE CG1 C 13 27.750 0.300 . 1 . . . . 15 ILE CG1 . 11280 1 114 . 1 1 15 15 ILE CG2 C 13 18.289 0.300 . 1 . . . . 15 ILE CG2 . 11280 1 115 . 1 1 15 15 ILE N N 15 122.229 0.300 . 1 . . . . 15 ILE N . 11280 1 116 . 1 1 16 16 LEU H H 1 8.845 0.030 . 1 . . . . 16 LEU H . 11280 1 117 . 1 1 16 16 LEU HA H 1 5.147 0.030 . 1 . . . . 16 LEU HA . 11280 1 118 . 1 1 16 16 LEU HB2 H 1 1.037 0.030 . 2 . . . . 16 LEU HB2 . 11280 1 119 . 1 1 16 16 LEU HB3 H 1 1.235 0.030 . 2 . . . . 16 LEU HB3 . 11280 1 120 . 1 1 16 16 LEU HD11 H 1 0.692 0.030 . 1 . . . . 16 LEU HD1 . 11280 1 121 . 1 1 16 16 LEU HD12 H 1 0.692 0.030 . 1 . . . . 16 LEU HD1 . 11280 1 122 . 1 1 16 16 LEU HD13 H 1 0.692 0.030 . 1 . . . . 16 LEU HD1 . 11280 1 123 . 1 1 16 16 LEU HD21 H 1 0.702 0.030 . 1 . . . . 16 LEU HD2 . 11280 1 124 . 1 1 16 16 LEU HD22 H 1 0.702 0.030 . 1 . . . . 16 LEU HD2 . 11280 1 125 . 1 1 16 16 LEU HD23 H 1 0.702 0.030 . 1 . . . . 16 LEU HD2 . 11280 1 126 . 1 1 16 16 LEU HG H 1 1.334 0.030 . 1 . . . . 16 LEU HG . 11280 1 127 . 1 1 16 16 LEU C C 13 176.792 0.300 . 1 . . . . 16 LEU C . 11280 1 128 . 1 1 16 16 LEU CA C 13 52.000 0.300 . 1 . . . . 16 LEU CA . 11280 1 129 . 1 1 16 16 LEU CB C 13 44.184 0.300 . 1 . . . . 16 LEU CB . 11280 1 130 . 1 1 16 16 LEU CD1 C 13 25.112 0.300 . 2 . . . . 16 LEU CD1 . 11280 1 131 . 1 1 16 16 LEU CD2 C 13 23.550 0.300 . 2 . . . . 16 LEU CD2 . 11280 1 132 . 1 1 16 16 LEU CG C 13 28.116 0.300 . 1 . . . . 16 LEU CG . 11280 1 133 . 1 1 16 16 LEU N N 15 127.977 0.300 . 1 . . . . 16 LEU N . 11280 1 134 . 1 1 17 17 ASP H H 1 9.104 0.030 . 1 . . . . 17 ASP H . 11280 1 135 . 1 1 17 17 ASP HA H 1 4.633 0.030 . 1 . . . . 17 ASP HA . 11280 1 136 . 1 1 17 17 ASP HB2 H 1 2.603 0.030 . 2 . . . . 17 ASP HB2 . 11280 1 137 . 1 1 17 17 ASP HB3 H 1 3.218 0.030 . 2 . . . . 17 ASP HB3 . 11280 1 138 . 1 1 17 17 ASP C C 13 178.261 0.300 . 1 . . . . 17 ASP C . 11280 1 139 . 1 1 17 17 ASP CA C 13 56.153 0.300 . 1 . . . . 17 ASP CA . 11280 1 140 . 1 1 17 17 ASP CB C 13 44.171 0.300 . 1 . . . . 17 ASP CB . 11280 1 141 . 1 1 17 17 ASP N N 15 123.116 0.300 . 1 . . . . 17 ASP N . 11280 1 142 . 1 1 18 18 ALA H H 1 9.232 0.030 . 1 . . . . 18 ALA H . 11280 1 143 . 1 1 18 18 ALA HA H 1 4.051 0.030 . 1 . . . . 18 ALA HA . 11280 1 144 . 1 1 18 18 ALA HB1 H 1 1.303 0.030 . 1 . . . . 18 ALA HB . 11280 1 145 . 1 1 18 18 ALA HB2 H 1 1.303 0.030 . 1 . . . . 18 ALA HB . 11280 1 146 . 1 1 18 18 ALA HB3 H 1 1.303 0.030 . 1 . . . . 18 ALA HB . 11280 1 147 . 1 1 18 18 ALA C C 13 176.952 0.300 . 1 . . . . 18 ALA C . 11280 1 148 . 1 1 18 18 ALA CA C 13 55.619 0.300 . 1 . . . . 18 ALA CA . 11280 1 149 . 1 1 18 18 ALA CB C 13 19.306 0.300 . 1 . . . . 18 ALA CB . 11280 1 150 . 1 1 18 18 ALA N N 15 128.171 0.300 . 1 . . . . 18 ALA N . 11280 1 151 . 1 1 19 19 LYS H H 1 8.733 0.030 . 1 . . . . 19 LYS H . 11280 1 152 . 1 1 19 19 LYS HA H 1 4.321 0.030 . 1 . . . . 19 LYS HA . 11280 1 153 . 1 1 19 19 LYS HB2 H 1 2.004 0.030 . 1 . . . . 19 LYS HB2 . 11280 1 154 . 1 1 19 19 LYS HB3 H 1 2.004 0.030 . 1 . . . . 19 LYS HB3 . 11280 1 155 . 1 1 19 19 LYS HD2 H 1 1.727 0.030 . 2 . . . . 19 LYS HD2 . 11280 1 156 . 1 1 19 19 LYS HE2 H 1 3.041 0.030 . 2 . . . . 19 LYS HE2 . 11280 1 157 . 1 1 19 19 LYS HE3 H 1 3.041 0.030 . 2 . . . . 19 LYS HE3 . 11280 1 158 . 1 1 19 19 LYS HG2 H 1 1.339 0.030 . 2 . . . . 19 LYS HG2 . 11280 1 159 . 1 1 19 19 LYS C C 13 178.787 0.300 . 1 . . . . 19 LYS C . 11280 1 160 . 1 1 19 19 LYS CA C 13 58.406 0.300 . 1 . . . . 19 LYS CA . 11280 1 161 . 1 1 19 19 LYS CB C 13 33.270 0.300 . 1 . . . . 19 LYS CB . 11280 1 162 . 1 1 19 19 LYS CD C 13 29.305 0.300 . 1 . . . . 19 LYS CD . 11280 1 163 . 1 1 19 19 LYS CE C 13 42.046 0.300 . 1 . . . . 19 LYS CE . 11280 1 164 . 1 1 19 19 LYS CG C 13 25.276 0.300 . 1 . . . . 19 LYS CG . 11280 1 165 . 1 1 19 19 LYS N N 15 115.744 0.300 . 1 . . . . 19 LYS N . 11280 1 166 . 1 1 20 20 THR H H 1 8.798 0.030 . 1 . . . . 20 THR H . 11280 1 167 . 1 1 20 20 THR HA H 1 4.369 0.030 . 1 . . . . 20 THR HA . 11280 1 168 . 1 1 20 20 THR HB H 1 4.489 0.030 . 1 . . . . 20 THR HB . 11280 1 169 . 1 1 20 20 THR HG21 H 1 1.259 0.030 . 1 . . . . 20 THR HG2 . 11280 1 170 . 1 1 20 20 THR HG22 H 1 1.259 0.030 . 1 . . . . 20 THR HG2 . 11280 1 171 . 1 1 20 20 THR HG23 H 1 1.259 0.030 . 1 . . . . 20 THR HG2 . 11280 1 172 . 1 1 20 20 THR C C 13 176.367 0.300 . 1 . . . . 20 THR C . 11280 1 173 . 1 1 20 20 THR CA C 13 62.235 0.300 . 1 . . . . 20 THR CA . 11280 1 174 . 1 1 20 20 THR CB C 13 70.944 0.300 . 1 . . . . 20 THR CB . 11280 1 175 . 1 1 20 20 THR CG2 C 13 21.346 0.300 . 1 . . . . 20 THR CG2 . 11280 1 176 . 1 1 20 20 THR N N 15 108.668 0.300 . 1 . . . . 20 THR N . 11280 1 177 . 1 1 21 21 ARG H H 1 8.354 0.030 . 1 . . . . 21 ARG H . 11280 1 178 . 1 1 21 21 ARG HA H 1 4.099 0.030 . 1 . . . . 21 ARG HA . 11280 1 179 . 1 1 21 21 ARG HB2 H 1 2.204 0.030 . 2 . . . . 21 ARG HB2 . 11280 1 180 . 1 1 21 21 ARG HB3 H 1 2.242 0.030 . 2 . . . . 21 ARG HB3 . 11280 1 181 . 1 1 21 21 ARG HD2 H 1 3.275 0.030 . 2 . . . . 21 ARG HD2 . 11280 1 182 . 1 1 21 21 ARG HG2 H 1 1.497 0.030 . 2 . . . . 21 ARG HG2 . 11280 1 183 . 1 1 21 21 ARG HG3 H 1 1.710 0.030 . 2 . . . . 21 ARG HG3 . 11280 1 184 . 1 1 21 21 ARG C C 13 174.002 0.300 . 1 . . . . 21 ARG C . 11280 1 185 . 1 1 21 21 ARG CA C 13 58.237 0.300 . 1 . . . . 21 ARG CA . 11280 1 186 . 1 1 21 21 ARG CB C 13 27.167 0.300 . 1 . . . . 21 ARG CB . 11280 1 187 . 1 1 21 21 ARG CD C 13 43.115 0.300 . 1 . . . . 21 ARG CD . 11280 1 188 . 1 1 21 21 ARG CG C 13 28.811 0.300 . 1 . . . . 21 ARG CG . 11280 1 189 . 1 1 21 21 ARG N N 15 115.181 0.300 . 1 . . . . 21 ARG N . 11280 1 190 . 1 1 22 22 GLU H H 1 7.845 0.030 . 1 . . . . 22 GLU H . 11280 1 191 . 1 1 22 22 GLU HA H 1 4.147 0.030 . 1 . . . . 22 GLU HA . 11280 1 192 . 1 1 22 22 GLU HB2 H 1 1.876 0.030 . 2 . . . . 22 GLU HB2 . 11280 1 193 . 1 1 22 22 GLU HB3 H 1 1.944 0.030 . 2 . . . . 22 GLU HB3 . 11280 1 194 . 1 1 22 22 GLU HG2 H 1 2.264 0.030 . 2 . . . . 22 GLU HG2 . 11280 1 195 . 1 1 22 22 GLU HG3 H 1 2.172 0.030 . 2 . . . . 22 GLU HG3 . 11280 1 196 . 1 1 22 22 GLU C C 13 176.292 0.300 . 1 . . . . 22 GLU C . 11280 1 197 . 1 1 22 22 GLU CA C 13 56.540 0.300 . 1 . . . . 22 GLU CA . 11280 1 198 . 1 1 22 22 GLU CB C 13 30.807 0.300 . 1 . . . . 22 GLU CB . 11280 1 199 . 1 1 22 22 GLU CG C 13 36.456 0.300 . 1 . . . . 22 GLU CG . 11280 1 200 . 1 1 22 22 GLU N N 15 118.466 0.300 . 1 . . . . 22 GLU N . 11280 1 201 . 1 1 23 23 LYS H H 1 8.852 0.030 . 1 . . . . 23 LYS H . 11280 1 202 . 1 1 23 23 LYS HA H 1 4.215 0.030 . 1 . . . . 23 LYS HA . 11280 1 203 . 1 1 23 23 LYS HB2 H 1 1.720 0.030 . 2 . . . . 23 LYS HB2 . 11280 1 204 . 1 1 23 23 LYS HB3 H 1 1.864 0.030 . 2 . . . . 23 LYS HB3 . 11280 1 205 . 1 1 23 23 LYS HD2 H 1 1.692 0.030 . 1 . . . . 23 LYS HD2 . 11280 1 206 . 1 1 23 23 LYS HD3 H 1 1.692 0.030 . 1 . . . . 23 LYS HD3 . 11280 1 207 . 1 1 23 23 LYS HE2 H 1 2.927 0.030 . 1 . . . . 23 LYS HE2 . 11280 1 208 . 1 1 23 23 LYS HE3 H 1 2.927 0.030 . 1 . . . . 23 LYS HE3 . 11280 1 209 . 1 1 23 23 LYS HG2 H 1 1.413 0.030 . 2 . . . . 23 LYS HG2 . 11280 1 210 . 1 1 23 23 LYS HG3 H 1 1.256 0.030 . 2 . . . . 23 LYS HG3 . 11280 1 211 . 1 1 23 23 LYS C C 13 176.207 0.300 . 1 . . . . 23 LYS C . 11280 1 212 . 1 1 23 23 LYS CA C 13 57.897 0.300 . 1 . . . . 23 LYS CA . 11280 1 213 . 1 1 23 23 LYS CB C 13 31.716 0.300 . 1 . . . . 23 LYS CB . 11280 1 214 . 1 1 23 23 LYS CD C 13 29.716 0.300 . 1 . . . . 23 LYS CD . 11280 1 215 . 1 1 23 23 LYS CE C 13 41.553 0.300 . 1 . . . . 23 LYS CE . 11280 1 216 . 1 1 23 23 LYS CG C 13 25.006 0.300 . 1 . . . . 23 LYS CG . 11280 1 217 . 1 1 23 23 LYS N N 15 124.249 0.300 . 1 . . . . 23 LYS N . 11280 1 218 . 1 1 24 24 LEU H H 1 9.143 0.030 . 1 . . . . 24 LEU H . 11280 1 219 . 1 1 24 24 LEU HA H 1 4.649 0.030 . 1 . . . . 24 LEU HA . 11280 1 220 . 1 1 24 24 LEU HB2 H 1 1.300 0.030 . 2 . . . . 24 LEU HB2 . 11280 1 221 . 1 1 24 24 LEU HB3 H 1 1.540 0.030 . 2 . . . . 24 LEU HB3 . 11280 1 222 . 1 1 24 24 LEU HD11 H 1 0.807 0.030 . 1 . . . . 24 LEU HD1 . 11280 1 223 . 1 1 24 24 LEU HD12 H 1 0.807 0.030 . 1 . . . . 24 LEU HD1 . 11280 1 224 . 1 1 24 24 LEU HD13 H 1 0.807 0.030 . 1 . . . . 24 LEU HD1 . 11280 1 225 . 1 1 24 24 LEU HD21 H 1 0.894 0.030 . 1 . . . . 24 LEU HD2 . 11280 1 226 . 1 1 24 24 LEU HD22 H 1 0.894 0.030 . 1 . . . . 24 LEU HD2 . 11280 1 227 . 1 1 24 24 LEU HD23 H 1 0.894 0.030 . 1 . . . . 24 LEU HD2 . 11280 1 228 . 1 1 24 24 LEU HG H 1 1.801 0.030 . 1 . . . . 24 LEU HG . 11280 1 229 . 1 1 24 24 LEU C C 13 177.648 0.300 . 1 . . . . 24 LEU C . 11280 1 230 . 1 1 24 24 LEU CA C 13 55.396 0.300 . 1 . . . . 24 LEU CA . 11280 1 231 . 1 1 24 24 LEU CB C 13 44.305 0.300 . 1 . . . . 24 LEU CB . 11280 1 232 . 1 1 24 24 LEU CD1 C 13 26.921 0.300 . 2 . . . . 24 LEU CD1 . 11280 1 233 . 1 1 24 24 LEU CD2 C 13 22.070 0.300 . 2 . . . . 24 LEU CD2 . 11280 1 234 . 1 1 24 24 LEU CG C 13 26.921 0.300 . 1 . . . . 24 LEU CG . 11280 1 235 . 1 1 24 24 LEU N N 15 127.339 0.300 . 1 . . . . 24 LEU N . 11280 1 236 . 1 1 25 25 CYS H H 1 7.808 0.030 . 1 . . . . 25 CYS H . 11280 1 237 . 1 1 25 25 CYS HA H 1 4.680 0.030 . 1 . . . . 25 CYS HA . 11280 1 238 . 1 1 25 25 CYS HB2 H 1 2.431 0.030 . 2 . . . . 25 CYS HB2 . 11280 1 239 . 1 1 25 25 CYS HB3 H 1 3.081 0.030 . 2 . . . . 25 CYS HB3 . 11280 1 240 . 1 1 25 25 CYS C C 13 171.113 0.300 . 1 . . . . 25 CYS C . 11280 1 241 . 1 1 25 25 CYS CA C 13 58.432 0.300 . 1 . . . . 25 CYS CA . 11280 1 242 . 1 1 25 25 CYS CB C 13 30.448 0.300 . 1 . . . . 25 CYS CB . 11280 1 243 . 1 1 25 25 CYS N N 15 116.295 0.300 . 1 . . . . 25 CYS N . 11280 1 244 . 1 1 26 26 PHE H H 1 8.790 0.030 . 1 . . . . 26 PHE H . 11280 1 245 . 1 1 26 26 PHE HA H 1 5.289 0.030 . 1 . . . . 26 PHE HA . 11280 1 246 . 1 1 26 26 PHE HB2 H 1 2.911 0.030 . 2 . . . . 26 PHE HB2 . 11280 1 247 . 1 1 26 26 PHE HB3 H 1 3.040 0.030 . 2 . . . . 26 PHE HB3 . 11280 1 248 . 1 1 26 26 PHE HD1 H 1 7.128 0.030 . 1 . . . . 26 PHE HD1 . 11280 1 249 . 1 1 26 26 PHE HD2 H 1 7.128 0.030 . 1 . . . . 26 PHE HD2 . 11280 1 250 . 1 1 26 26 PHE HE1 H 1 7.222 0.030 . 1 . . . . 26 PHE HE1 . 11280 1 251 . 1 1 26 26 PHE HE2 H 1 7.222 0.030 . 1 . . . . 26 PHE HE2 . 11280 1 252 . 1 1 26 26 PHE HZ H 1 7.233 0.030 . 1 . . . . 26 PHE HZ . 11280 1 253 . 1 1 26 26 PHE C C 13 173.329 0.300 . 1 . . . . 26 PHE C . 11280 1 254 . 1 1 26 26 PHE CA C 13 56.999 0.300 . 1 . . . . 26 PHE CA . 11280 1 255 . 1 1 26 26 PHE CB C 13 42.009 0.300 . 1 . . . . 26 PHE CB . 11280 1 256 . 1 1 26 26 PHE CD1 C 13 131.574 0.300 . 1 . . . . 26 PHE CD1 . 11280 1 257 . 1 1 26 26 PHE CD2 C 13 131.574 0.300 . 1 . . . . 26 PHE CD2 . 11280 1 258 . 1 1 26 26 PHE CE1 C 13 131.379 0.300 . 1 . . . . 26 PHE CE1 . 11280 1 259 . 1 1 26 26 PHE CE2 C 13 131.379 0.300 . 1 . . . . 26 PHE CE2 . 11280 1 260 . 1 1 26 26 PHE CZ C 13 130.141 0.300 . 1 . . . . 26 PHE CZ . 11280 1 261 . 1 1 26 26 PHE N N 15 129.403 0.300 . 1 . . . . 26 PHE N . 11280 1 262 . 1 1 27 27 LEU H H 1 9.023 0.030 . 1 . . . . 27 LEU H . 11280 1 263 . 1 1 27 27 LEU HA H 1 4.489 0.030 . 1 . . . . 27 LEU HA . 11280 1 264 . 1 1 27 27 LEU HB2 H 1 1.203 0.030 . 2 . . . . 27 LEU HB2 . 11280 1 265 . 1 1 27 27 LEU HB3 H 1 1.639 0.030 . 2 . . . . 27 LEU HB3 . 11280 1 266 . 1 1 27 27 LEU HD11 H 1 0.764 0.030 . 1 . . . . 27 LEU HD1 . 11280 1 267 . 1 1 27 27 LEU HD12 H 1 0.764 0.030 . 1 . . . . 27 LEU HD1 . 11280 1 268 . 1 1 27 27 LEU HD13 H 1 0.764 0.030 . 1 . . . . 27 LEU HD1 . 11280 1 269 . 1 1 27 27 LEU HD21 H 1 0.793 0.030 . 1 . . . . 27 LEU HD2 . 11280 1 270 . 1 1 27 27 LEU HD22 H 1 0.793 0.030 . 1 . . . . 27 LEU HD2 . 11280 1 271 . 1 1 27 27 LEU HD23 H 1 0.793 0.030 . 1 . . . . 27 LEU HD2 . 11280 1 272 . 1 1 27 27 LEU HG H 1 1.536 0.030 . 1 . . . . 27 LEU HG . 11280 1 273 . 1 1 27 27 LEU C C 13 173.770 0.300 . 1 . . . . 27 LEU C . 11280 1 274 . 1 1 27 27 LEU CA C 13 52.974 0.300 . 1 . . . . 27 LEU CA . 11280 1 275 . 1 1 27 27 LEU CB C 13 42.505 0.300 . 1 . . . . 27 LEU CB . 11280 1 276 . 1 1 27 27 LEU CD1 C 13 26.414 0.300 . 2 . . . . 27 LEU CD1 . 11280 1 277 . 1 1 27 27 LEU CD2 C 13 24.290 0.300 . 2 . . . . 27 LEU CD2 . 11280 1 278 . 1 1 27 27 LEU CG C 13 26.592 0.300 . 1 . . . . 27 LEU CG . 11280 1 279 . 1 1 27 27 LEU N N 15 130.011 0.300 . 1 . . . . 27 LEU N . 11280 1 280 . 1 1 28 28 ASP H H 1 8.085 0.030 . 1 . . . . 28 ASP H . 11280 1 281 . 1 1 28 28 ASP HA H 1 4.322 0.030 . 1 . . . . 28 ASP HA . 11280 1 282 . 1 1 28 28 ASP HB2 H 1 2.562 0.030 . 2 . . . . 28 ASP HB2 . 11280 1 283 . 1 1 28 28 ASP HB3 H 1 2.760 0.030 . 2 . . . . 28 ASP HB3 . 11280 1 284 . 1 1 28 28 ASP C C 13 175.313 0.300 . 1 . . . . 28 ASP C . 11280 1 285 . 1 1 28 28 ASP CA C 13 53.583 0.300 . 1 . . . . 28 ASP CA . 11280 1 286 . 1 1 28 28 ASP CB C 13 41.964 0.300 . 1 . . . . 28 ASP CB . 11280 1 287 . 1 1 28 28 ASP N N 15 120.140 0.300 . 1 . . . . 28 ASP N . 11280 1 288 . 1 1 29 29 LYS H H 1 8.087 0.030 . 1 . . . . 29 LYS H . 11280 1 289 . 1 1 29 29 LYS HA H 1 3.885 0.030 . 1 . . . . 29 LYS HA . 11280 1 290 . 1 1 29 29 LYS HB2 H 1 1.404 0.030 . 2 . . . . 29 LYS HB2 . 11280 1 291 . 1 1 29 29 LYS HB3 H 1 1.545 0.030 . 2 . . . . 29 LYS HB3 . 11280 1 292 . 1 1 29 29 LYS HD2 H 1 1.309 0.030 . 2 . . . . 29 LYS HD2 . 11280 1 293 . 1 1 29 29 LYS HD3 H 1 1.352 0.030 . 2 . . . . 29 LYS HD3 . 11280 1 294 . 1 1 29 29 LYS HE2 H 1 2.707 0.030 . 1 . . . . 29 LYS HE2 . 11280 1 295 . 1 1 29 29 LYS HE3 H 1 2.707 0.030 . 1 . . . . 29 LYS HE3 . 11280 1 296 . 1 1 29 29 LYS HG2 H 1 0.834 0.030 . 2 . . . . 29 LYS HG2 . 11280 1 297 . 1 1 29 29 LYS HG3 H 1 0.977 0.030 . 2 . . . . 29 LYS HG3 . 11280 1 298 . 1 1 29 29 LYS C C 13 174.831 0.300 . 1 . . . . 29 LYS C . 11280 1 299 . 1 1 29 29 LYS CA C 13 56.421 0.300 . 1 . . . . 29 LYS CA . 11280 1 300 . 1 1 29 29 LYS CB C 13 31.782 0.300 . 1 . . . . 29 LYS CB . 11280 1 301 . 1 1 29 29 LYS CD C 13 29.058 0.300 . 1 . . . . 29 LYS CD . 11280 1 302 . 1 1 29 29 LYS CE C 13 42.046 0.300 . 1 . . . . 29 LYS CE . 11280 1 303 . 1 1 29 29 LYS CG C 13 24.701 0.300 . 1 . . . . 29 LYS CG . 11280 1 304 . 1 1 29 29 LYS N N 15 118.016 0.300 . 1 . . . . 29 LYS N . 11280 1 305 . 1 1 30 30 VAL H H 1 8.885 0.030 . 1 . . . . 30 VAL H . 11280 1 306 . 1 1 30 30 VAL HA H 1 3.964 0.030 . 1 . . . . 30 VAL HA . 11280 1 307 . 1 1 30 30 VAL HB H 1 1.562 0.030 . 1 . . . . 30 VAL HB . 11280 1 308 . 1 1 30 30 VAL HG11 H 1 0.768 0.030 . 1 . . . . 30 VAL HG1 . 11280 1 309 . 1 1 30 30 VAL HG12 H 1 0.768 0.030 . 1 . . . . 30 VAL HG1 . 11280 1 310 . 1 1 30 30 VAL HG13 H 1 0.768 0.030 . 1 . . . . 30 VAL HG1 . 11280 1 311 . 1 1 30 30 VAL HG21 H 1 0.592 0.030 . 1 . . . . 30 VAL HG2 . 11280 1 312 . 1 1 30 30 VAL HG22 H 1 0.592 0.030 . 1 . . . . 30 VAL HG2 . 11280 1 313 . 1 1 30 30 VAL HG23 H 1 0.592 0.030 . 1 . . . . 30 VAL HG2 . 11280 1 314 . 1 1 30 30 VAL C C 13 175.878 0.300 . 1 . . . . 30 VAL C . 11280 1 315 . 1 1 30 30 VAL CA C 13 61.991 0.300 . 1 . . . . 30 VAL CA . 11280 1 316 . 1 1 30 30 VAL CB C 13 33.019 0.300 . 1 . . . . 30 VAL CB . 11280 1 317 . 1 1 30 30 VAL CG1 C 13 22.119 0.300 . 2 . . . . 30 VAL CG1 . 11280 1 318 . 1 1 30 30 VAL CG2 C 13 23.094 0.300 . 2 . . . . 30 VAL CG2 . 11280 1 319 . 1 1 30 30 VAL N N 15 124.947 0.300 . 1 . . . . 30 VAL N . 11280 1 320 . 1 1 31 31 GLU H H 1 8.969 0.030 . 1 . . . . 31 GLU H . 11280 1 321 . 1 1 31 31 GLU HA H 1 4.395 0.030 . 1 . . . . 31 GLU HA . 11280 1 322 . 1 1 31 31 GLU HB2 H 1 1.518 0.030 . 2 . . . . 31 GLU HB2 . 11280 1 323 . 1 1 31 31 GLU HB3 H 1 1.579 0.030 . 2 . . . . 31 GLU HB3 . 11280 1 324 . 1 1 31 31 GLU HG2 H 1 2.382 0.030 . 1 . . . . 31 GLU HG2 . 11280 1 325 . 1 1 31 31 GLU HG3 H 1 2.382 0.030 . 1 . . . . 31 GLU HG3 . 11280 1 326 . 1 1 31 31 GLU C C 13 175.527 0.300 . 1 . . . . 31 GLU C . 11280 1 327 . 1 1 31 31 GLU CA C 13 55.387 0.300 . 1 . . . . 31 GLU CA . 11280 1 328 . 1 1 31 31 GLU CB C 13 28.167 0.300 . 1 . . . . 31 GLU CB . 11280 1 329 . 1 1 31 31 GLU CG C 13 36.262 0.300 . 1 . . . . 31 GLU CG . 11280 1 330 . 1 1 31 31 GLU N N 15 127.832 0.300 . 1 . . . . 31 GLU N . 11280 1 331 . 1 1 32 32 PRO HA H 1 3.935 0.030 . 1 . . . . 32 PRO HA . 11280 1 332 . 1 1 32 32 PRO HB2 H 1 1.922 0.030 . 2 . . . . 32 PRO HB2 . 11280 1 333 . 1 1 32 32 PRO HB3 H 1 2.317 0.030 . 2 . . . . 32 PRO HB3 . 11280 1 334 . 1 1 32 32 PRO HD2 H 1 3.906 0.030 . 2 . . . . 32 PRO HD2 . 11280 1 335 . 1 1 32 32 PRO HD3 H 1 3.832 0.030 . 2 . . . . 32 PRO HD3 . 11280 1 336 . 1 1 32 32 PRO HG2 H 1 2.140 0.030 . 2 . . . . 32 PRO HG2 . 11280 1 337 . 1 1 32 32 PRO HG3 H 1 1.945 0.030 . 2 . . . . 32 PRO HG3 . 11280 1 338 . 1 1 32 32 PRO C C 13 175.147 0.300 . 1 . . . . 32 PRO C . 11280 1 339 . 1 1 32 32 PRO CA C 13 64.889 0.300 . 1 . . . . 32 PRO CA . 11280 1 340 . 1 1 32 32 PRO CB C 13 32.271 0.300 . 1 . . . . 32 PRO CB . 11280 1 341 . 1 1 32 32 PRO CD C 13 50.434 0.300 . 1 . . . . 32 PRO CD . 11280 1 342 . 1 1 32 32 PRO CG C 13 28.154 0.300 . 1 . . . . 32 PRO CG . 11280 1 343 . 1 1 33 33 HIS H H 1 6.894 0.030 . 1 . . . . 33 HIS H . 11280 1 344 . 1 1 33 33 HIS HA H 1 4.471 0.030 . 1 . . . . 33 HIS HA . 11280 1 345 . 1 1 33 33 HIS HB2 H 1 2.913 0.030 . 2 . . . . 33 HIS HB2 . 11280 1 346 . 1 1 33 33 HIS HB3 H 1 3.338 0.030 . 2 . . . . 33 HIS HB3 . 11280 1 347 . 1 1 33 33 HIS HD2 H 1 6.999 0.030 . 1 . . . . 33 HIS HD2 . 11280 1 348 . 1 1 33 33 HIS HE1 H 1 7.824 0.030 . 1 . . . . 33 HIS HE1 . 11280 1 349 . 1 1 33 33 HIS C C 13 174.825 0.300 . 1 . . . . 33 HIS C . 11280 1 350 . 1 1 33 33 HIS CA C 13 54.777 0.300 . 1 . . . . 33 HIS CA . 11280 1 351 . 1 1 33 33 HIS CB C 13 29.475 0.300 . 1 . . . . 33 HIS CB . 11280 1 352 . 1 1 33 33 HIS CD2 C 13 118.735 0.300 . 1 . . . . 33 HIS CD2 . 11280 1 353 . 1 1 33 33 HIS CE1 C 13 139.035 0.300 . 1 . . . . 33 HIS CE1 . 11280 1 354 . 1 1 33 33 HIS N N 15 107.897 0.300 . 1 . . . . 33 HIS N . 11280 1 355 . 1 1 34 34 ALA H H 1 7.555 0.030 . 1 . . . . 34 ALA H . 11280 1 356 . 1 1 34 34 ALA HA H 1 4.266 0.030 . 1 . . . . 34 ALA HA . 11280 1 357 . 1 1 34 34 ALA HB1 H 1 1.240 0.030 . 1 . . . . 34 ALA HB . 11280 1 358 . 1 1 34 34 ALA HB2 H 1 1.240 0.030 . 1 . . . . 34 ALA HB . 11280 1 359 . 1 1 34 34 ALA HB3 H 1 1.240 0.030 . 1 . . . . 34 ALA HB . 11280 1 360 . 1 1 34 34 ALA C C 13 176.600 0.300 . 1 . . . . 34 ALA C . 11280 1 361 . 1 1 34 34 ALA CA C 13 53.125 0.300 . 1 . . . . 34 ALA CA . 11280 1 362 . 1 1 34 34 ALA CB C 13 19.111 0.300 . 1 . . . . 34 ALA CB . 11280 1 363 . 1 1 34 34 ALA N N 15 126.139 0.300 . 1 . . . . 34 ALA N . 11280 1 364 . 1 1 35 35 THR H H 1 7.893 0.030 . 1 . . . . 35 THR H . 11280 1 365 . 1 1 35 35 THR HA H 1 5.395 0.030 . 1 . . . . 35 THR HA . 11280 1 366 . 1 1 35 35 THR HB H 1 4.972 0.030 . 1 . . . . 35 THR HB . 11280 1 367 . 1 1 35 35 THR HG21 H 1 1.295 0.030 . 1 . . . . 35 THR HG2 . 11280 1 368 . 1 1 35 35 THR HG22 H 1 1.295 0.030 . 1 . . . . 35 THR HG2 . 11280 1 369 . 1 1 35 35 THR HG23 H 1 1.295 0.030 . 1 . . . . 35 THR HG2 . 11280 1 370 . 1 1 35 35 THR C C 13 177.107 0.300 . 1 . . . . 35 THR C . 11280 1 371 . 1 1 35 35 THR CA C 13 58.788 0.300 . 1 . . . . 35 THR CA . 11280 1 372 . 1 1 35 35 THR CB C 13 72.104 0.300 . 1 . . . . 35 THR CB . 11280 1 373 . 1 1 35 35 THR CG2 C 13 22.235 0.300 . 1 . . . . 35 THR CG2 . 11280 1 374 . 1 1 35 35 THR N N 15 109.314 0.300 . 1 . . . . 35 THR N . 11280 1 375 . 1 1 36 36 ILE H H 1 8.428 0.030 . 1 . . . . 36 ILE H . 11280 1 376 . 1 1 36 36 ILE HA H 1 3.772 0.030 . 1 . . . . 36 ILE HA . 11280 1 377 . 1 1 36 36 ILE HB H 1 2.768 0.030 . 1 . . . . 36 ILE HB . 11280 1 378 . 1 1 36 36 ILE HD11 H 1 0.486 0.030 . 1 . . . . 36 ILE HD1 . 11280 1 379 . 1 1 36 36 ILE HD12 H 1 0.486 0.030 . 1 . . . . 36 ILE HD1 . 11280 1 380 . 1 1 36 36 ILE HD13 H 1 0.486 0.030 . 1 . . . . 36 ILE HD1 . 11280 1 381 . 1 1 36 36 ILE HG12 H 1 1.384 0.030 . 2 . . . . 36 ILE HG12 . 11280 1 382 . 1 1 36 36 ILE HG13 H 1 1.540 0.030 . 2 . . . . 36 ILE HG13 . 11280 1 383 . 1 1 36 36 ILE HG21 H 1 0.715 0.030 . 1 . . . . 36 ILE HG2 . 11280 1 384 . 1 1 36 36 ILE HG22 H 1 0.715 0.030 . 1 . . . . 36 ILE HG2 . 11280 1 385 . 1 1 36 36 ILE HG23 H 1 0.715 0.030 . 1 . . . . 36 ILE HG2 . 11280 1 386 . 1 1 36 36 ILE C C 13 178.524 0.300 . 1 . . . . 36 ILE C . 11280 1 387 . 1 1 36 36 ILE CA C 13 61.291 0.300 . 1 . . . . 36 ILE CA . 11280 1 388 . 1 1 36 36 ILE CB C 13 33.701 0.300 . 1 . . . . 36 ILE CB . 11280 1 389 . 1 1 36 36 ILE CD1 C 13 8.506 0.300 . 1 . . . . 36 ILE CD1 . 11280 1 390 . 1 1 36 36 ILE CG1 C 13 27.578 0.300 . 1 . . . . 36 ILE CG1 . 11280 1 391 . 1 1 36 36 ILE CG2 C 13 17.549 0.300 . 1 . . . . 36 ILE CG2 . 11280 1 392 . 1 1 36 36 ILE N N 15 121.944 0.300 . 1 . . . . 36 ILE N . 11280 1 393 . 1 1 37 37 ALA H H 1 8.877 0.030 . 1 . . . . 37 ALA H . 11280 1 394 . 1 1 37 37 ALA HA H 1 3.905 0.030 . 1 . . . . 37 ALA HA . 11280 1 395 . 1 1 37 37 ALA HB1 H 1 1.428 0.030 . 1 . . . . 37 ALA HB . 11280 1 396 . 1 1 37 37 ALA HB2 H 1 1.428 0.030 . 1 . . . . 37 ALA HB . 11280 1 397 . 1 1 37 37 ALA HB3 H 1 1.428 0.030 . 1 . . . . 37 ALA HB . 11280 1 398 . 1 1 37 37 ALA C C 13 180.412 0.300 . 1 . . . . 37 ALA C . 11280 1 399 . 1 1 37 37 ALA CA C 13 55.972 0.300 . 1 . . . . 37 ALA CA . 11280 1 400 . 1 1 37 37 ALA CB C 13 18.432 0.300 . 1 . . . . 37 ALA CB . 11280 1 401 . 1 1 37 37 ALA N N 15 122.703 0.300 . 1 . . . . 37 ALA N . 11280 1 402 . 1 1 38 38 GLU H H 1 7.755 0.030 . 1 . . . . 38 GLU H . 11280 1 403 . 1 1 38 38 GLU HA H 1 4.050 0.030 . 1 . . . . 38 GLU HA . 11280 1 404 . 1 1 38 38 GLU HB2 H 1 2.073 0.030 . 2 . . . . 38 GLU HB2 . 11280 1 405 . 1 1 38 38 GLU HB3 H 1 2.470 0.030 . 2 . . . . 38 GLU HB3 . 11280 1 406 . 1 1 38 38 GLU HG2 H 1 2.303 0.030 . 2 . . . . 38 GLU HG2 . 11280 1 407 . 1 1 38 38 GLU HG3 H 1 2.364 0.030 . 2 . . . . 38 GLU HG3 . 11280 1 408 . 1 1 38 38 GLU C C 13 179.900 0.300 . 1 . . . . 38 GLU C . 11280 1 409 . 1 1 38 38 GLU CA C 13 59.514 0.300 . 1 . . . . 38 GLU CA . 11280 1 410 . 1 1 38 38 GLU CB C 13 29.208 0.300 . 1 . . . . 38 GLU CB . 11280 1 411 . 1 1 38 38 GLU CG C 13 37.279 0.300 . 1 . . . . 38 GLU CG . 11280 1 412 . 1 1 38 38 GLU N N 15 118.974 0.300 . 1 . . . . 38 GLU N . 11280 1 413 . 1 1 39 39 ILE H H 1 8.200 0.030 . 1 . . . . 39 ILE H . 11280 1 414 . 1 1 39 39 ILE HA H 1 3.555 0.030 . 1 . . . . 39 ILE HA . 11280 1 415 . 1 1 39 39 ILE HB H 1 1.982 0.030 . 1 . . . . 39 ILE HB . 11280 1 416 . 1 1 39 39 ILE HD11 H 1 0.610 0.030 . 1 . . . . 39 ILE HD1 . 11280 1 417 . 1 1 39 39 ILE HD12 H 1 0.610 0.030 . 1 . . . . 39 ILE HD1 . 11280 1 418 . 1 1 39 39 ILE HD13 H 1 0.610 0.030 . 1 . . . . 39 ILE HD1 . 11280 1 419 . 1 1 39 39 ILE HG12 H 1 1.026 0.030 . 2 . . . . 39 ILE HG12 . 11280 1 420 . 1 1 39 39 ILE HG13 H 1 1.555 0.030 . 2 . . . . 39 ILE HG13 . 11280 1 421 . 1 1 39 39 ILE HG21 H 1 0.653 0.030 . 1 . . . . 39 ILE HG2 . 11280 1 422 . 1 1 39 39 ILE HG22 H 1 0.653 0.030 . 1 . . . . 39 ILE HG2 . 11280 1 423 . 1 1 39 39 ILE HG23 H 1 0.653 0.030 . 1 . . . . 39 ILE HG2 . 11280 1 424 . 1 1 39 39 ILE C C 13 177.653 0.300 . 1 . . . . 39 ILE C . 11280 1 425 . 1 1 39 39 ILE CA C 13 65.263 0.300 . 1 . . . . 39 ILE CA . 11280 1 426 . 1 1 39 39 ILE CB C 13 36.791 0.300 . 1 . . . . 39 ILE CB . 11280 1 427 . 1 1 39 39 ILE CD1 C 13 12.863 0.300 . 1 . . . . 39 ILE CD1 . 11280 1 428 . 1 1 39 39 ILE CG1 C 13 29.222 0.300 . 1 . . . . 39 ILE CG1 . 11280 1 429 . 1 1 39 39 ILE CG2 C 13 17.138 0.300 . 1 . . . . 39 ILE CG2 . 11280 1 430 . 1 1 39 39 ILE N N 15 122.525 0.300 . 1 . . . . 39 ILE N . 11280 1 431 . 1 1 40 40 LYS H H 1 8.940 0.030 . 1 . . . . 40 LYS H . 11280 1 432 . 1 1 40 40 LYS HA H 1 4.461 0.030 . 1 . . . . 40 LYS HA . 11280 1 433 . 1 1 40 40 LYS HB2 H 1 2.084 0.030 . 2 . . . . 40 LYS HB2 . 11280 1 434 . 1 1 40 40 LYS HB3 H 1 1.572 0.030 . 2 . . . . 40 LYS HB3 . 11280 1 435 . 1 1 40 40 LYS HD2 H 1 1.666 0.030 . 1 . . . . 40 LYS HD2 . 11280 1 436 . 1 1 40 40 LYS HD3 H 1 1.666 0.030 . 1 . . . . 40 LYS HD3 . 11280 1 437 . 1 1 40 40 LYS HE2 H 1 2.699 0.030 . 2 . . . . 40 LYS HE2 . 11280 1 438 . 1 1 40 40 LYS HE3 H 1 2.773 0.030 . 2 . . . . 40 LYS HE3 . 11280 1 439 . 1 1 40 40 LYS HG2 H 1 1.643 0.030 . 2 . . . . 40 LYS HG2 . 11280 1 440 . 1 1 40 40 LYS HG3 H 1 1.464 0.030 . 2 . . . . 40 LYS HG3 . 11280 1 441 . 1 1 40 40 LYS C C 13 180.256 0.300 . 1 . . . . 40 LYS C . 11280 1 442 . 1 1 40 40 LYS CA C 13 59.919 0.300 . 1 . . . . 40 LYS CA . 11280 1 443 . 1 1 40 40 LYS CB C 13 33.917 0.300 . 1 . . . . 40 LYS CB . 11280 1 444 . 1 1 40 40 LYS CD C 13 30.846 0.300 . 1 . . . . 40 LYS CD . 11280 1 445 . 1 1 40 40 LYS CE C 13 42.321 0.300 . 1 . . . . 40 LYS CE . 11280 1 446 . 1 1 40 40 LYS CG C 13 26.179 0.300 . 1 . . . . 40 LYS CG . 11280 1 447 . 1 1 40 40 LYS N N 15 119.755 0.300 . 1 . . . . 40 LYS N . 11280 1 448 . 1 1 41 41 ASN H H 1 7.712 0.030 . 1 . . . . 41 ASN H . 11280 1 449 . 1 1 41 41 ASN HA H 1 4.491 0.030 . 1 . . . . 41 ASN HA . 11280 1 450 . 1 1 41 41 ASN HB2 H 1 2.837 0.030 . 2 . . . . 41 ASN HB2 . 11280 1 451 . 1 1 41 41 ASN HB3 H 1 2.951 0.030 . 2 . . . . 41 ASN HB3 . 11280 1 452 . 1 1 41 41 ASN HD21 H 1 7.700 0.030 . 2 . . . . 41 ASN HD21 . 11280 1 453 . 1 1 41 41 ASN HD22 H 1 6.938 0.030 . 2 . . . . 41 ASN HD22 . 11280 1 454 . 1 1 41 41 ASN C C 13 178.280 0.300 . 1 . . . . 41 ASN C . 11280 1 455 . 1 1 41 41 ASN CA C 13 56.415 0.300 . 1 . . . . 41 ASN CA . 11280 1 456 . 1 1 41 41 ASN CB C 13 38.396 0.300 . 1 . . . . 41 ASN CB . 11280 1 457 . 1 1 41 41 ASN N N 15 117.316 0.300 . 1 . . . . 41 ASN N . 11280 1 458 . 1 1 41 41 ASN ND2 N 15 112.843 0.300 . 1 . . . . 41 ASN ND2 . 11280 1 459 . 1 1 42 42 LEU H H 1 8.078 0.030 . 1 . . . . 42 LEU H . 11280 1 460 . 1 1 42 42 LEU HA H 1 4.099 0.030 . 1 . . . . 42 LEU HA . 11280 1 461 . 1 1 42 42 LEU HB2 H 1 1.453 0.030 . 2 . . . . 42 LEU HB2 . 11280 1 462 . 1 1 42 42 LEU HB3 H 1 2.110 0.030 . 2 . . . . 42 LEU HB3 . 11280 1 463 . 1 1 42 42 LEU HD11 H 1 0.907 0.030 . 1 . . . . 42 LEU HD1 . 11280 1 464 . 1 1 42 42 LEU HD12 H 1 0.907 0.030 . 1 . . . . 42 LEU HD1 . 11280 1 465 . 1 1 42 42 LEU HD13 H 1 0.907 0.030 . 1 . . . . 42 LEU HD1 . 11280 1 466 . 1 1 42 42 LEU HD21 H 1 0.893 0.030 . 1 . . . . 42 LEU HD2 . 11280 1 467 . 1 1 42 42 LEU HD22 H 1 0.893 0.030 . 1 . . . . 42 LEU HD2 . 11280 1 468 . 1 1 42 42 LEU HD23 H 1 0.893 0.030 . 1 . . . . 42 LEU HD2 . 11280 1 469 . 1 1 42 42 LEU HG H 1 1.911 0.030 . 1 . . . . 42 LEU HG . 11280 1 470 . 1 1 42 42 LEU C C 13 180.118 0.300 . 1 . . . . 42 LEU C . 11280 1 471 . 1 1 42 42 LEU CA C 13 58.068 0.300 . 1 . . . . 42 LEU CA . 11280 1 472 . 1 1 42 42 LEU CB C 13 42.241 0.300 . 1 . . . . 42 LEU CB . 11280 1 473 . 1 1 42 42 LEU CD1 C 13 25.441 0.300 . 2 . . . . 42 LEU CD1 . 11280 1 474 . 1 1 42 42 LEU CD2 C 13 22.427 0.300 . 2 . . . . 42 LEU CD2 . 11280 1 475 . 1 1 42 42 LEU CG C 13 27.016 0.300 . 1 . . . . 42 LEU CG . 11280 1 476 . 1 1 42 42 LEU N N 15 121.743 0.300 . 1 . . . . 42 LEU N . 11280 1 477 . 1 1 43 43 PHE H H 1 8.745 0.030 . 1 . . . . 43 PHE H . 11280 1 478 . 1 1 43 43 PHE HA H 1 4.567 0.030 . 1 . . . . 43 PHE HA . 11280 1 479 . 1 1 43 43 PHE HB2 H 1 2.972 0.030 . 2 . . . . 43 PHE HB2 . 11280 1 480 . 1 1 43 43 PHE HB3 H 1 3.517 0.030 . 2 . . . . 43 PHE HB3 . 11280 1 481 . 1 1 43 43 PHE HD1 H 1 7.146 0.030 . 1 . . . . 43 PHE HD1 . 11280 1 482 . 1 1 43 43 PHE HD2 H 1 7.146 0.030 . 1 . . . . 43 PHE HD2 . 11280 1 483 . 1 1 43 43 PHE HE1 H 1 6.258 0.030 . 1 . . . . 43 PHE HE1 . 11280 1 484 . 1 1 43 43 PHE HE2 H 1 6.258 0.030 . 1 . . . . 43 PHE HE2 . 11280 1 485 . 1 1 43 43 PHE HZ H 1 5.816 0.030 . 1 . . . . 43 PHE HZ . 11280 1 486 . 1 1 43 43 PHE C C 13 178.142 0.300 . 1 . . . . 43 PHE C . 11280 1 487 . 1 1 43 43 PHE CA C 13 60.221 0.300 . 1 . . . . 43 PHE CA . 11280 1 488 . 1 1 43 43 PHE CB C 13 38.861 0.300 . 1 . . . . 43 PHE CB . 11280 1 489 . 1 1 43 43 PHE CD1 C 13 131.077 0.300 . 1 . . . . 43 PHE CD1 . 11280 1 490 . 1 1 43 43 PHE CD2 C 13 131.077 0.300 . 1 . . . . 43 PHE CD2 . 11280 1 491 . 1 1 43 43 PHE CE1 C 13 130.017 0.300 . 1 . . . . 43 PHE CE1 . 11280 1 492 . 1 1 43 43 PHE CE2 C 13 130.017 0.300 . 1 . . . . 43 PHE CE2 . 11280 1 493 . 1 1 43 43 PHE CZ C 13 128.779 0.300 . 1 . . . . 43 PHE CZ . 11280 1 494 . 1 1 43 43 PHE N N 15 122.868 0.300 . 1 . . . . 43 PHE N . 11280 1 495 . 1 1 44 44 THR H H 1 8.395 0.030 . 1 . . . . 44 THR H . 11280 1 496 . 1 1 44 44 THR HA H 1 3.858 0.030 . 1 . . . . 44 THR HA . 11280 1 497 . 1 1 44 44 THR HB H 1 4.173 0.030 . 1 . . . . 44 THR HB . 11280 1 498 . 1 1 44 44 THR HG21 H 1 1.327 0.030 . 1 . . . . 44 THR HG2 . 11280 1 499 . 1 1 44 44 THR HG22 H 1 1.327 0.030 . 1 . . . . 44 THR HG2 . 11280 1 500 . 1 1 44 44 THR HG23 H 1 1.327 0.030 . 1 . . . . 44 THR HG2 . 11280 1 501 . 1 1 44 44 THR C C 13 175.318 0.300 . 1 . . . . 44 THR C . 11280 1 502 . 1 1 44 44 THR CA C 13 65.527 0.300 . 1 . . . . 44 THR CA . 11280 1 503 . 1 1 44 44 THR CB C 13 69.340 0.300 . 1 . . . . 44 THR CB . 11280 1 504 . 1 1 44 44 THR CG2 C 13 22.481 0.300 . 1 . . . . 44 THR CG2 . 11280 1 505 . 1 1 44 44 THR N N 15 115.761 0.300 . 1 . . . . 44 THR N . 11280 1 506 . 1 1 45 45 LYS H H 1 7.420 0.030 . 1 . . . . 45 LYS H . 11280 1 507 . 1 1 45 45 LYS HA H 1 3.988 0.030 . 1 . . . . 45 LYS HA . 11280 1 508 . 1 1 45 45 LYS HB2 H 1 1.920 0.030 . 2 . . . . 45 LYS HB2 . 11280 1 509 . 1 1 45 45 LYS HB3 H 1 2.009 0.030 . 2 . . . . 45 LYS HB3 . 11280 1 510 . 1 1 45 45 LYS HD2 H 1 1.714 0.030 . 1 . . . . 45 LYS HD2 . 11280 1 511 . 1 1 45 45 LYS HD3 H 1 1.714 0.030 . 1 . . . . 45 LYS HD3 . 11280 1 512 . 1 1 45 45 LYS HE2 H 1 2.952 0.030 . 1 . . . . 45 LYS HE2 . 11280 1 513 . 1 1 45 45 LYS HE3 H 1 2.952 0.030 . 1 . . . . 45 LYS HE3 . 11280 1 514 . 1 1 45 45 LYS HG2 H 1 1.495 0.030 . 2 . . . . 45 LYS HG2 . 11280 1 515 . 1 1 45 45 LYS HG3 H 1 1.697 0.030 . 2 . . . . 45 LYS HG3 . 11280 1 516 . 1 1 45 45 LYS C C 13 178.488 0.300 . 1 . . . . 45 LYS C . 11280 1 517 . 1 1 45 45 LYS CA C 13 59.175 0.300 . 1 . . . . 45 LYS CA . 11280 1 518 . 1 1 45 45 LYS CB C 13 31.935 0.300 . 1 . . . . 45 LYS CB . 11280 1 519 . 1 1 45 45 LYS CD C 13 29.140 0.300 . 1 . . . . 45 LYS CD . 11280 1 520 . 1 1 45 45 LYS CE C 13 42.211 0.300 . 1 . . . . 45 LYS CE . 11280 1 521 . 1 1 45 45 LYS CG C 13 25.194 0.300 . 1 . . . . 45 LYS CG . 11280 1 522 . 1 1 45 45 LYS N N 15 118.907 0.300 . 1 . . . . 45 LYS N . 11280 1 523 . 1 1 46 46 THR H H 1 7.140 0.030 . 1 . . . . 46 THR H . 11280 1 524 . 1 1 46 46 THR HA H 1 4.137 0.030 . 1 . . . . 46 THR HA . 11280 1 525 . 1 1 46 46 THR HB H 1 4.104 0.030 . 1 . . . . 46 THR HB . 11280 1 526 . 1 1 46 46 THR HG21 H 1 1.030 0.030 . 1 . . . . 46 THR HG2 . 11280 1 527 . 1 1 46 46 THR HG22 H 1 1.030 0.030 . 1 . . . . 46 THR HG2 . 11280 1 528 . 1 1 46 46 THR HG23 H 1 1.030 0.030 . 1 . . . . 46 THR HG2 . 11280 1 529 . 1 1 46 46 THR C C 13 173.740 0.300 . 1 . . . . 46 THR C . 11280 1 530 . 1 1 46 46 THR CA C 13 63.255 0.300 . 1 . . . . 46 THR CA . 11280 1 531 . 1 1 46 46 THR CB C 13 69.761 0.300 . 1 . . . . 46 THR CB . 11280 1 532 . 1 1 46 46 THR CG2 C 13 21.988 0.300 . 1 . . . . 46 THR CG2 . 11280 1 533 . 1 1 46 46 THR N N 15 108.631 0.300 . 1 . . . . 46 THR N . 11280 1 534 . 1 1 47 47 HIS H H 1 7.609 0.030 . 1 . . . . 47 HIS H . 11280 1 535 . 1 1 47 47 HIS HA H 1 4.722 0.030 . 1 . . . . 47 HIS HA . 11280 1 536 . 1 1 47 47 HIS HB2 H 1 2.330 0.030 . 2 . . . . 47 HIS HB2 . 11280 1 537 . 1 1 47 47 HIS HB3 H 1 2.518 0.030 . 2 . . . . 47 HIS HB3 . 11280 1 538 . 1 1 47 47 HIS HD2 H 1 6.419 0.030 . 1 . . . . 47 HIS HD2 . 11280 1 539 . 1 1 47 47 HIS HE1 H 1 8.001 0.030 . 1 . . . . 47 HIS HE1 . 11280 1 540 . 1 1 47 47 HIS C C 13 172.166 0.300 . 1 . . . . 47 HIS C . 11280 1 541 . 1 1 47 47 HIS CA C 13 54.005 0.300 . 1 . . . . 47 HIS CA . 11280 1 542 . 1 1 47 47 HIS CB C 13 30.635 0.300 . 1 . . . . 47 HIS CB . 11280 1 543 . 1 1 47 47 HIS CE1 C 13 137.627 0.300 . 1 . . . . 47 HIS CE1 . 11280 1 544 . 1 1 47 47 HIS N N 15 120.552 0.300 . 1 . . . . 47 HIS N . 11280 1 545 . 1 1 48 48 PRO HA H 1 4.469 0.030 . 1 . . . . 48 PRO HA . 11280 1 546 . 1 1 48 48 PRO HB2 H 1 1.872 0.030 . 2 . . . . 48 PRO HB2 . 11280 1 547 . 1 1 48 48 PRO HB3 H 1 2.302 0.030 . 2 . . . . 48 PRO HB3 . 11280 1 548 . 1 1 48 48 PRO HD2 H 1 3.209 0.030 . 2 . . . . 48 PRO HD2 . 11280 1 549 . 1 1 48 48 PRO HD3 H 1 3.522 0.030 . 2 . . . . 48 PRO HD3 . 11280 1 550 . 1 1 48 48 PRO HG2 H 1 1.856 0.030 . 2 . . . . 48 PRO HG2 . 11280 1 551 . 1 1 48 48 PRO HG3 H 1 1.900 0.030 . 2 . . . . 48 PRO HG3 . 11280 1 552 . 1 1 48 48 PRO C C 13 177.620 0.300 . 1 . . . . 48 PRO C . 11280 1 553 . 1 1 48 48 PRO CA C 13 64.522 0.300 . 1 . . . . 48 PRO CA . 11280 1 554 . 1 1 48 48 PRO CB C 13 31.689 0.300 . 1 . . . . 48 PRO CB . 11280 1 555 . 1 1 48 48 PRO CD C 13 50.349 0.300 . 1 . . . . 48 PRO CD . 11280 1 556 . 1 1 48 48 PRO CG C 13 27.003 0.300 . 1 . . . . 48 PRO CG . 11280 1 557 . 1 1 49 49 GLN H H 1 9.057 0.030 . 1 . . . . 49 GLN H . 11280 1 558 . 1 1 49 49 GLN HA H 1 4.150 0.030 . 1 . . . . 49 GLN HA . 11280 1 559 . 1 1 49 49 GLN HB2 H 1 1.707 0.030 . 1 . . . . 49 GLN HB2 . 11280 1 560 . 1 1 49 49 GLN HB3 H 1 1.707 0.030 . 1 . . . . 49 GLN HB3 . 11280 1 561 . 1 1 49 49 GLN HE21 H 1 6.772 0.030 . 2 . . . . 49 GLN HE21 . 11280 1 562 . 1 1 49 49 GLN HE22 H 1 6.395 0.030 . 2 . . . . 49 GLN HE22 . 11280 1 563 . 1 1 49 49 GLN HG2 H 1 1.218 0.030 . 2 . . . . 49 GLN HG2 . 11280 1 564 . 1 1 49 49 GLN HG3 H 1 1.744 0.030 . 2 . . . . 49 GLN HG3 . 11280 1 565 . 1 1 49 49 GLN C C 13 176.130 0.300 . 1 . . . . 49 GLN C . 11280 1 566 . 1 1 49 49 GLN CA C 13 56.713 0.300 . 1 . . . . 49 GLN CA . 11280 1 567 . 1 1 49 49 GLN CB C 13 26.921 0.300 . 1 . . . . 49 GLN CB . 11280 1 568 . 1 1 49 49 GLN CG C 13 31.807 0.300 . 1 . . . . 49 GLN CG . 11280 1 569 . 1 1 49 49 GLN N N 15 117.234 0.300 . 1 . . . . 49 GLN N . 11280 1 570 . 1 1 49 49 GLN NE2 N 15 111.235 0.300 . 1 . . . . 49 GLN NE2 . 11280 1 571 . 1 1 50 50 TRP H H 1 7.842 0.030 . 1 . . . . 50 TRP H . 11280 1 572 . 1 1 50 50 TRP HA H 1 5.091 0.030 . 1 . . . . 50 TRP HA . 11280 1 573 . 1 1 50 50 TRP HB2 H 1 2.959 0.030 . 2 . . . . 50 TRP HB2 . 11280 1 574 . 1 1 50 50 TRP HB3 H 1 3.127 0.030 . 2 . . . . 50 TRP HB3 . 11280 1 575 . 1 1 50 50 TRP HD1 H 1 6.927 0.030 . 1 . . . . 50 TRP HD1 . 11280 1 576 . 1 1 50 50 TRP HE1 H 1 10.270 0.030 . 1 . . . . 50 TRP HE1 . 11280 1 577 . 1 1 50 50 TRP HE3 H 1 7.135 0.030 . 1 . . . . 50 TRP HE3 . 11280 1 578 . 1 1 50 50 TRP HH2 H 1 7.177 0.030 . 1 . . . . 50 TRP HH2 . 11280 1 579 . 1 1 50 50 TRP HZ2 H 1 7.531 0.030 . 1 . . . . 50 TRP HZ2 . 11280 1 580 . 1 1 50 50 TRP HZ3 H 1 6.589 0.030 . 1 . . . . 50 TRP HZ3 . 11280 1 581 . 1 1 50 50 TRP C C 13 175.073 0.300 . 1 . . . . 50 TRP C . 11280 1 582 . 1 1 50 50 TRP CA C 13 54.186 0.300 . 1 . . . . 50 TRP CA . 11280 1 583 . 1 1 50 50 TRP CB C 13 28.304 0.300 . 1 . . . . 50 TRP CB . 11280 1 584 . 1 1 50 50 TRP CD1 C 13 125.588 0.300 . 1 . . . . 50 TRP CD1 . 11280 1 585 . 1 1 50 50 TRP CE3 C 13 121.480 0.300 . 1 . . . . 50 TRP CE3 . 11280 1 586 . 1 1 50 50 TRP CH2 C 13 124.595 0.300 . 1 . . . . 50 TRP CH2 . 11280 1 587 . 1 1 50 50 TRP CZ2 C 13 114.511 0.300 . 1 . . . . 50 TRP CZ2 . 11280 1 588 . 1 1 50 50 TRP CZ3 C 13 121.545 0.300 . 1 . . . . 50 TRP CZ3 . 11280 1 589 . 1 1 50 50 TRP N N 15 123.440 0.300 . 1 . . . . 50 TRP N . 11280 1 590 . 1 1 50 50 TRP NE1 N 15 128.887 0.300 . 1 . . . . 50 TRP NE1 . 11280 1 591 . 1 1 51 51 TYR H H 1 7.440 0.030 . 1 . . . . 51 TYR H . 11280 1 592 . 1 1 51 51 TYR HA H 1 4.825 0.030 . 1 . . . . 51 TYR HA . 11280 1 593 . 1 1 51 51 TYR HB2 H 1 3.151 0.030 . 2 . . . . 51 TYR HB2 . 11280 1 594 . 1 1 51 51 TYR HB3 H 1 3.207 0.030 . 2 . . . . 51 TYR HB3 . 11280 1 595 . 1 1 51 51 TYR HD1 H 1 7.226 0.030 . 1 . . . . 51 TYR HD1 . 11280 1 596 . 1 1 51 51 TYR HD2 H 1 7.226 0.030 . 1 . . . . 51 TYR HD2 . 11280 1 597 . 1 1 51 51 TYR HE1 H 1 6.928 0.030 . 1 . . . . 51 TYR HE1 . 11280 1 598 . 1 1 51 51 TYR HE2 H 1 6.928 0.030 . 1 . . . . 51 TYR HE2 . 11280 1 599 . 1 1 51 51 TYR C C 13 175.073 0.300 . 1 . . . . 51 TYR C . 11280 1 600 . 1 1 51 51 TYR CA C 13 55.915 0.300 . 1 . . . . 51 TYR CA . 11280 1 601 . 1 1 51 51 TYR CB C 13 36.178 0.300 . 1 . . . . 51 TYR CB . 11280 1 602 . 1 1 51 51 TYR CD1 C 13 133.404 0.300 . 1 . . . . 51 TYR CD1 . 11280 1 603 . 1 1 51 51 TYR CD2 C 13 133.404 0.300 . 1 . . . . 51 TYR CD2 . 11280 1 604 . 1 1 51 51 TYR CE1 C 13 118.766 0.300 . 1 . . . . 51 TYR CE1 . 11280 1 605 . 1 1 51 51 TYR CE2 C 13 118.766 0.300 . 1 . . . . 51 TYR CE2 . 11280 1 606 . 1 1 51 51 TYR N N 15 122.025 0.300 . 1 . . . . 51 TYR N . 11280 1 607 . 1 1 52 52 PRO HA H 1 4.230 0.030 . 1 . . . . 52 PRO HA . 11280 1 608 . 1 1 52 52 PRO HB2 H 1 2.063 0.030 . 2 . . . . 52 PRO HB2 . 11280 1 609 . 1 1 52 52 PRO HB3 H 1 2.327 0.030 . 2 . . . . 52 PRO HB3 . 11280 1 610 . 1 1 52 52 PRO HD2 H 1 3.853 0.030 . 2 . . . . 52 PRO HD2 . 11280 1 611 . 1 1 52 52 PRO HD3 H 1 4.116 0.030 . 2 . . . . 52 PRO HD3 . 11280 1 612 . 1 1 52 52 PRO HG2 H 1 1.752 0.030 . 2 . . . . 52 PRO HG2 . 11280 1 613 . 1 1 52 52 PRO HG3 H 1 2.259 0.030 . 2 . . . . 52 PRO HG3 . 11280 1 614 . 1 1 52 52 PRO C C 13 178.113 0.300 . 1 . . . . 52 PRO C . 11280 1 615 . 1 1 52 52 PRO CA C 13 67.302 0.300 . 1 . . . . 52 PRO CA . 11280 1 616 . 1 1 52 52 PRO CB C 13 32.262 0.300 . 1 . . . . 52 PRO CB . 11280 1 617 . 1 1 52 52 PRO CD C 13 50.514 0.300 . 1 . . . . 52 PRO CD . 11280 1 618 . 1 1 52 52 PRO CG C 13 27.825 0.300 . 1 . . . . 52 PRO CG . 11280 1 619 . 1 1 53 53 ALA H H 1 8.453 0.030 . 1 . . . . 53 ALA H . 11280 1 620 . 1 1 53 53 ALA HA H 1 4.293 0.030 . 1 . . . . 53 ALA HA . 11280 1 621 . 1 1 53 53 ALA HB1 H 1 1.561 0.030 . 1 . . . . 53 ALA HB . 11280 1 622 . 1 1 53 53 ALA HB2 H 1 1.561 0.030 . 1 . . . . 53 ALA HB . 11280 1 623 . 1 1 53 53 ALA HB3 H 1 1.561 0.030 . 1 . . . . 53 ALA HB . 11280 1 624 . 1 1 53 53 ALA C C 13 178.553 0.300 . 1 . . . . 53 ALA C . 11280 1 625 . 1 1 53 53 ALA CA C 13 54.250 0.300 . 1 . . . . 53 ALA CA . 11280 1 626 . 1 1 53 53 ALA CB C 13 18.984 0.300 . 1 . . . . 53 ALA CB . 11280 1 627 . 1 1 53 53 ALA N N 15 117.413 0.300 . 1 . . . . 53 ALA N . 11280 1 628 . 1 1 54 54 ARG H H 1 8.194 0.030 . 1 . . . . 54 ARG H . 11280 1 629 . 1 1 54 54 ARG HA H 1 4.523 0.030 . 1 . . . . 54 ARG HA . 11280 1 630 . 1 1 54 54 ARG HB2 H 1 1.862 0.030 . 2 . . . . 54 ARG HB2 . 11280 1 631 . 1 1 54 54 ARG HB3 H 1 2.278 0.030 . 2 . . . . 54 ARG HB3 . 11280 1 632 . 1 1 54 54 ARG HD2 H 1 3.193 0.030 . 2 . . . . 54 ARG HD2 . 11280 1 633 . 1 1 54 54 ARG HD3 H 1 3.243 0.030 . 2 . . . . 54 ARG HD3 . 11280 1 634 . 1 1 54 54 ARG HG2 H 1 1.620 0.030 . 2 . . . . 54 ARG HG2 . 11280 1 635 . 1 1 54 54 ARG HG3 H 1 1.535 0.030 . 2 . . . . 54 ARG HG3 . 11280 1 636 . 1 1 54 54 ARG C C 13 174.814 0.300 . 1 . . . . 54 ARG C . 11280 1 637 . 1 1 54 54 ARG CA C 13 55.509 0.300 . 1 . . . . 54 ARG CA . 11280 1 638 . 1 1 54 54 ARG CB C 13 31.045 0.300 . 1 . . . . 54 ARG CB . 11280 1 639 . 1 1 54 54 ARG CD C 13 43.526 0.300 . 1 . . . . 54 ARG CD . 11280 1 640 . 1 1 54 54 ARG CG C 13 26.921 0.300 . 1 . . . . 54 ARG CG . 11280 1 641 . 1 1 54 54 ARG N N 15 115.324 0.300 . 1 . . . . 54 ARG N . 11280 1 642 . 1 1 55 55 GLN H H 1 7.590 0.030 . 1 . . . . 55 GLN H . 11280 1 643 . 1 1 55 55 GLN HA H 1 4.417 0.030 . 1 . . . . 55 GLN HA . 11280 1 644 . 1 1 55 55 GLN HB2 H 1 1.991 0.030 . 1 . . . . 55 GLN HB2 . 11280 1 645 . 1 1 55 55 GLN HB3 H 1 1.991 0.030 . 1 . . . . 55 GLN HB3 . 11280 1 646 . 1 1 55 55 GLN HE21 H 1 6.735 0.030 . 1 . . . . 55 GLN HE21 . 11280 1 647 . 1 1 55 55 GLN HE22 H 1 6.735 0.030 . 1 . . . . 55 GLN HE22 . 11280 1 648 . 1 1 55 55 GLN HG2 H 1 2.534 0.030 . 2 . . . . 55 GLN HG2 . 11280 1 649 . 1 1 55 55 GLN HG3 H 1 2.069 0.030 . 2 . . . . 55 GLN HG3 . 11280 1 650 . 1 1 55 55 GLN C C 13 175.775 0.300 . 1 . . . . 55 GLN C . 11280 1 651 . 1 1 55 55 GLN CA C 13 55.728 0.300 . 1 . . . . 55 GLN CA . 11280 1 652 . 1 1 55 55 GLN CB C 13 31.442 0.300 . 1 . . . . 55 GLN CB . 11280 1 653 . 1 1 55 55 GLN CG C 13 32.922 0.300 . 1 . . . . 55 GLN CG . 11280 1 654 . 1 1 55 55 GLN N N 15 117.125 0.300 . 1 . . . . 55 GLN N . 11280 1 655 . 1 1 55 55 GLN NE2 N 15 107.035 0.300 . 1 . . . . 55 GLN NE2 . 11280 1 656 . 1 1 56 56 SER H H 1 7.853 0.030 . 1 . . . . 56 SER H . 11280 1 657 . 1 1 56 56 SER HA H 1 4.626 0.030 . 1 . . . . 56 SER HA . 11280 1 658 . 1 1 56 56 SER HB2 H 1 3.622 0.030 . 2 . . . . 56 SER HB2 . 11280 1 659 . 1 1 56 56 SER HB3 H 1 3.794 0.030 . 2 . . . . 56 SER HB3 . 11280 1 660 . 1 1 56 56 SER C C 13 173.349 0.300 . 1 . . . . 56 SER C . 11280 1 661 . 1 1 56 56 SER CA C 13 56.819 0.300 . 1 . . . . 56 SER CA . 11280 1 662 . 1 1 56 56 SER CB C 13 64.160 0.300 . 1 . . . . 56 SER CB . 11280 1 663 . 1 1 56 56 SER N N 15 116.621 0.300 . 1 . . . . 56 SER N . 11280 1 664 . 1 1 57 57 LEU H H 1 8.736 0.030 . 1 . . . . 57 LEU H . 11280 1 665 . 1 1 57 57 LEU HA H 1 5.439 0.030 . 1 . . . . 57 LEU HA . 11280 1 666 . 1 1 57 57 LEU HB2 H 1 1.100 0.030 . 2 . . . . 57 LEU HB2 . 11280 1 667 . 1 1 57 57 LEU HB3 H 1 1.602 0.030 . 2 . . . . 57 LEU HB3 . 11280 1 668 . 1 1 57 57 LEU HD11 H 1 0.755 0.030 . 1 . . . . 57 LEU HD1 . 11280 1 669 . 1 1 57 57 LEU HD12 H 1 0.755 0.030 . 1 . . . . 57 LEU HD1 . 11280 1 670 . 1 1 57 57 LEU HD13 H 1 0.755 0.030 . 1 . . . . 57 LEU HD1 . 11280 1 671 . 1 1 57 57 LEU HD21 H 1 0.755 0.030 . 1 . . . . 57 LEU HD2 . 11280 1 672 . 1 1 57 57 LEU HD22 H 1 0.755 0.030 . 1 . . . . 57 LEU HD2 . 11280 1 673 . 1 1 57 57 LEU HD23 H 1 0.755 0.030 . 1 . . . . 57 LEU HD2 . 11280 1 674 . 1 1 57 57 LEU HG H 1 1.382 0.030 . 1 . . . . 57 LEU HG . 11280 1 675 . 1 1 57 57 LEU C C 13 175.883 0.300 . 1 . . . . 57 LEU C . 11280 1 676 . 1 1 57 57 LEU CA C 13 53.100 0.300 . 1 . . . . 57 LEU CA . 11280 1 677 . 1 1 57 57 LEU CB C 13 44.939 0.300 . 1 . . . . 57 LEU CB . 11280 1 678 . 1 1 57 57 LEU CD1 C 13 26.674 0.300 . 2 . . . . 57 LEU CD1 . 11280 1 679 . 1 1 57 57 LEU CD2 C 13 23.632 0.300 . 2 . . . . 57 LEU CD2 . 11280 1 680 . 1 1 57 57 LEU CG C 13 27.351 0.300 . 1 . . . . 57 LEU CG . 11280 1 681 . 1 1 57 57 LEU N N 15 124.665 0.300 . 1 . . . . 57 LEU N . 11280 1 682 . 1 1 58 58 ARG H H 1 8.885 0.030 . 1 . . . . 58 ARG H . 11280 1 683 . 1 1 58 58 ARG HA H 1 4.789 0.030 . 1 . . . . 58 ARG HA . 11280 1 684 . 1 1 58 58 ARG HB2 H 1 1.308 0.030 . 2 . . . . 58 ARG HB2 . 11280 1 685 . 1 1 58 58 ARG HB3 H 1 2.037 0.030 . 2 . . . . 58 ARG HB3 . 11280 1 686 . 1 1 58 58 ARG HD2 H 1 3.043 0.030 . 2 . . . . 58 ARG HD2 . 11280 1 687 . 1 1 58 58 ARG HD3 H 1 2.546 0.030 . 2 . . . . 58 ARG HD3 . 11280 1 688 . 1 1 58 58 ARG HE H 1 6.916 0.030 . 1 . . . . 58 ARG HE . 11280 1 689 . 1 1 58 58 ARG HG2 H 1 1.394 0.030 . 2 . . . . 58 ARG HG2 . 11280 1 690 . 1 1 58 58 ARG HG3 H 1 1.345 0.030 . 2 . . . . 58 ARG HG3 . 11280 1 691 . 1 1 58 58 ARG C C 13 176.380 0.300 . 1 . . . . 58 ARG C . 11280 1 692 . 1 1 58 58 ARG CA C 13 54.385 0.300 . 1 . . . . 58 ARG CA . 11280 1 693 . 1 1 58 58 ARG CB C 13 36.082 0.300 . 1 . . . . 58 ARG CB . 11280 1 694 . 1 1 58 58 ARG CD C 13 43.855 0.300 . 1 . . . . 58 ARG CD . 11280 1 695 . 1 1 58 58 ARG CG C 13 27.351 0.300 . 1 . . . . 58 ARG CG . 11280 1 696 . 1 1 58 58 ARG N N 15 118.421 0.300 . 1 . . . . 58 ARG N . 11280 1 697 . 1 1 58 58 ARG NE N 15 85.665 0.300 . 1 . . . . 58 ARG NE . 11280 1 698 . 1 1 59 59 LEU H H 1 9.561 0.030 . 1 . . . . 59 LEU H . 11280 1 699 . 1 1 59 59 LEU HA H 1 4.588 0.030 . 1 . . . . 59 LEU HA . 11280 1 700 . 1 1 59 59 LEU HB2 H 1 1.794 0.030 . 2 . . . . 59 LEU HB2 . 11280 1 701 . 1 1 59 59 LEU HB3 H 1 1.749 0.030 . 2 . . . . 59 LEU HB3 . 11280 1 702 . 1 1 59 59 LEU HD11 H 1 1.016 0.030 . 1 . . . . 59 LEU HD1 . 11280 1 703 . 1 1 59 59 LEU HD12 H 1 1.016 0.030 . 1 . . . . 59 LEU HD1 . 11280 1 704 . 1 1 59 59 LEU HD13 H 1 1.016 0.030 . 1 . . . . 59 LEU HD1 . 11280 1 705 . 1 1 59 59 LEU HD21 H 1 0.888 0.030 . 1 . . . . 59 LEU HD2 . 11280 1 706 . 1 1 59 59 LEU HD22 H 1 0.888 0.030 . 1 . . . . 59 LEU HD2 . 11280 1 707 . 1 1 59 59 LEU HD23 H 1 0.888 0.030 . 1 . . . . 59 LEU HD2 . 11280 1 708 . 1 1 59 59 LEU HG H 1 1.792 0.030 . 1 . . . . 59 LEU HG . 11280 1 709 . 1 1 59 59 LEU C C 13 176.180 0.300 . 1 . . . . 59 LEU C . 11280 1 710 . 1 1 59 59 LEU CA C 13 56.010 0.300 . 1 . . . . 59 LEU CA . 11280 1 711 . 1 1 59 59 LEU CB C 13 42.293 0.300 . 1 . . . . 59 LEU CB . 11280 1 712 . 1 1 59 59 LEU CD1 C 13 25.731 0.300 . 2 . . . . 59 LEU CD1 . 11280 1 713 . 1 1 59 59 LEU CD2 C 13 23.386 0.300 . 2 . . . . 59 LEU CD2 . 11280 1 714 . 1 1 59 59 LEU CG C 13 27.117 0.300 . 1 . . . . 59 LEU CG . 11280 1 715 . 1 1 59 59 LEU N N 15 120.105 0.300 . 1 . . . . 59 LEU N . 11280 1 716 . 1 1 60 60 ASP H H 1 7.441 0.030 . 1 . . . . 60 ASP H . 11280 1 717 . 1 1 60 60 ASP HA H 1 4.760 0.030 . 1 . . . . 60 ASP HA . 11280 1 718 . 1 1 60 60 ASP HB2 H 1 2.390 0.030 . 2 . . . . 60 ASP HB2 . 11280 1 719 . 1 1 60 60 ASP HB3 H 1 2.549 0.030 . 2 . . . . 60 ASP HB3 . 11280 1 720 . 1 1 60 60 ASP C C 13 174.384 0.300 . 1 . . . . 60 ASP C . 11280 1 721 . 1 1 60 60 ASP CA C 13 50.980 0.300 . 1 . . . . 60 ASP CA . 11280 1 722 . 1 1 60 60 ASP CB C 13 44.513 0.300 . 1 . . . . 60 ASP CB . 11280 1 723 . 1 1 60 60 ASP N N 15 117.420 0.300 . 1 . . . . 60 ASP N . 11280 1 724 . 1 1 61 61 PRO HA H 1 3.568 0.030 . 1 . . . . 61 PRO HA . 11280 1 725 . 1 1 61 61 PRO HB2 H 1 1.735 0.030 . 2 . . . . 61 PRO HB2 . 11280 1 726 . 1 1 61 61 PRO HB3 H 1 2.173 0.030 . 2 . . . . 61 PRO HB3 . 11280 1 727 . 1 1 61 61 PRO HD2 H 1 3.351 0.030 . 2 . . . . 61 PRO HD2 . 11280 1 728 . 1 1 61 61 PRO HD3 H 1 2.241 0.030 . 2 . . . . 61 PRO HD3 . 11280 1 729 . 1 1 61 61 PRO HG2 H 1 0.974 0.030 . 2 . . . . 61 PRO HG2 . 11280 1 730 . 1 1 61 61 PRO HG3 H 1 1.681 0.030 . 2 . . . . 61 PRO HG3 . 11280 1 731 . 1 1 61 61 PRO C C 13 176.654 0.300 . 1 . . . . 61 PRO C . 11280 1 732 . 1 1 61 61 PRO CA C 13 66.090 0.300 . 1 . . . . 61 PRO CA . 11280 1 733 . 1 1 61 61 PRO CB C 13 32.510 0.300 . 1 . . . . 61 PRO CB . 11280 1 734 . 1 1 61 61 PRO CD C 13 50.185 0.300 . 1 . . . . 61 PRO CD . 11280 1 735 . 1 1 61 61 PRO CG C 13 27.203 0.300 . 1 . . . . 61 PRO CG . 11280 1 736 . 1 1 62 62 LYS H H 1 8.294 0.030 . 1 . . . . 62 LYS H . 11280 1 737 . 1 1 62 62 LYS HA H 1 4.377 0.030 . 1 . . . . 62 LYS HA . 11280 1 738 . 1 1 62 62 LYS HB2 H 1 1.555 0.030 . 2 . . . . 62 LYS HB2 . 11280 1 739 . 1 1 62 62 LYS HB3 H 1 1.967 0.030 . 2 . . . . 62 LYS HB3 . 11280 1 740 . 1 1 62 62 LYS HD2 H 1 1.594 0.030 . 2 . . . . 62 LYS HD2 . 11280 1 741 . 1 1 62 62 LYS HE2 H 1 2.935 0.030 . 2 . . . . 62 LYS HE2 . 11280 1 742 . 1 1 62 62 LYS HG2 H 1 1.270 0.030 . 2 . . . . 62 LYS HG2 . 11280 1 743 . 1 1 62 62 LYS C C 13 176.827 0.300 . 1 . . . . 62 LYS C . 11280 1 744 . 1 1 62 62 LYS CA C 13 55.096 0.300 . 1 . . . . 62 LYS CA . 11280 1 745 . 1 1 62 62 LYS CB C 13 32.183 0.300 . 1 . . . . 62 LYS CB . 11280 1 746 . 1 1 62 62 LYS CD C 13 29.140 0.300 . 1 . . . . 62 LYS CD . 11280 1 747 . 1 1 62 62 LYS CE C 13 42.125 0.300 . 1 . . . . 62 LYS CE . 11280 1 748 . 1 1 62 62 LYS CG C 13 24.948 0.300 . 1 . . . . 62 LYS CG . 11280 1 749 . 1 1 62 62 LYS N N 15 114.970 0.300 . 1 . . . . 62 LYS N . 11280 1 750 . 1 1 63 63 GLY H H 1 7.788 0.030 . 1 . . . . 63 GLY H . 11280 1 751 . 1 1 63 63 GLY HA2 H 1 3.777 0.030 . 2 . . . . 63 GLY HA2 . 11280 1 752 . 1 1 63 63 GLY HA3 H 1 4.259 0.030 . 2 . . . . 63 GLY HA3 . 11280 1 753 . 1 1 63 63 GLY C C 13 172.801 0.300 . 1 . . . . 63 GLY C . 11280 1 754 . 1 1 63 63 GLY CA C 13 44.309 0.300 . 1 . . . . 63 GLY CA . 11280 1 755 . 1 1 63 63 GLY N N 15 108.857 0.300 . 1 . . . . 63 GLY N . 11280 1 756 . 1 1 64 64 LYS H H 1 8.169 0.030 . 1 . . . . 64 LYS H . 11280 1 757 . 1 1 64 64 LYS HA H 1 4.251 0.030 . 1 . . . . 64 LYS HA . 11280 1 758 . 1 1 64 64 LYS HB2 H 1 1.730 0.030 . 2 . . . . 64 LYS HB2 . 11280 1 759 . 1 1 64 64 LYS HB3 H 1 1.824 0.030 . 2 . . . . 64 LYS HB3 . 11280 1 760 . 1 1 64 64 LYS HE2 H 1 3.004 0.030 . 2 . . . . 64 LYS HE2 . 11280 1 761 . 1 1 64 64 LYS HG2 H 1 1.493 0.030 . 1 . . . . 64 LYS HG2 . 11280 1 762 . 1 1 64 64 LYS HG3 H 1 1.493 0.030 . 1 . . . . 64 LYS HG3 . 11280 1 763 . 1 1 64 64 LYS C C 13 177.181 0.300 . 1 . . . . 64 LYS C . 11280 1 764 . 1 1 64 64 LYS CA C 13 55.791 0.300 . 1 . . . . 64 LYS CA . 11280 1 765 . 1 1 64 64 LYS CB C 13 33.446 0.300 . 1 . . . . 64 LYS CB . 11280 1 766 . 1 1 64 64 LYS CD C 13 29.140 0.300 . 1 . . . . 64 LYS CD . 11280 1 767 . 1 1 64 64 LYS CE C 13 42.211 0.300 . 1 . . . . 64 LYS CE . 11280 1 768 . 1 1 64 64 LYS CG C 13 24.865 0.300 . 1 . . . . 64 LYS CG . 11280 1 769 . 1 1 64 64 LYS N N 15 117.574 0.300 . 1 . . . . 64 LYS N . 11280 1 770 . 1 1 65 65 SER H H 1 8.482 0.030 . 1 . . . . 65 SER H . 11280 1 771 . 1 1 65 65 SER HA H 1 4.249 0.030 . 1 . . . . 65 SER HA . 11280 1 772 . 1 1 65 65 SER HB2 H 1 3.802 0.030 . 2 . . . . 65 SER HB2 . 11280 1 773 . 1 1 65 65 SER HB3 H 1 3.990 0.030 . 2 . . . . 65 SER HB3 . 11280 1 774 . 1 1 65 65 SER C C 13 175.351 0.300 . 1 . . . . 65 SER C . 11280 1 775 . 1 1 65 65 SER CA C 13 59.281 0.300 . 1 . . . . 65 SER CA . 11280 1 776 . 1 1 65 65 SER CB C 13 63.502 0.300 . 1 . . . . 65 SER CB . 11280 1 777 . 1 1 65 65 SER N N 15 116.476 0.300 . 1 . . . . 65 SER N . 11280 1 778 . 1 1 66 66 LEU H H 1 8.974 0.030 . 1 . . . . 66 LEU H . 11280 1 779 . 1 1 66 66 LEU HA H 1 4.340 0.030 . 1 . . . . 66 LEU HA . 11280 1 780 . 1 1 66 66 LEU HB2 H 1 1.525 0.030 . 2 . . . . 66 LEU HB2 . 11280 1 781 . 1 1 66 66 LEU HB3 H 1 1.707 0.030 . 2 . . . . 66 LEU HB3 . 11280 1 782 . 1 1 66 66 LEU HD11 H 1 0.712 0.030 . 1 . . . . 66 LEU HD1 . 11280 1 783 . 1 1 66 66 LEU HD12 H 1 0.712 0.030 . 1 . . . . 66 LEU HD1 . 11280 1 784 . 1 1 66 66 LEU HD13 H 1 0.712 0.030 . 1 . . . . 66 LEU HD1 . 11280 1 785 . 1 1 66 66 LEU HD21 H 1 0.994 0.030 . 1 . . . . 66 LEU HD2 . 11280 1 786 . 1 1 66 66 LEU HD22 H 1 0.994 0.030 . 1 . . . . 66 LEU HD2 . 11280 1 787 . 1 1 66 66 LEU HD23 H 1 0.994 0.030 . 1 . . . . 66 LEU HD2 . 11280 1 788 . 1 1 66 66 LEU HG H 1 1.894 0.030 . 1 . . . . 66 LEU HG . 11280 1 789 . 1 1 66 66 LEU C C 13 177.259 0.300 . 1 . . . . 66 LEU C . 11280 1 790 . 1 1 66 66 LEU CA C 13 54.967 0.300 . 1 . . . . 66 LEU CA . 11280 1 791 . 1 1 66 66 LEU CB C 13 42.994 0.300 . 1 . . . . 66 LEU CB . 11280 1 792 . 1 1 66 66 LEU CD1 C 13 26.345 0.300 . 2 . . . . 66 LEU CD1 . 11280 1 793 . 1 1 66 66 LEU CD2 C 13 22.896 0.300 . 2 . . . . 66 LEU CD2 . 11280 1 794 . 1 1 66 66 LEU CG C 13 27.821 0.300 . 1 . . . . 66 LEU CG . 11280 1 795 . 1 1 66 66 LEU N N 15 126.168 0.300 . 1 . . . . 66 LEU N . 11280 1 796 . 1 1 67 67 LYS H H 1 8.912 0.030 . 1 . . . . 67 LYS H . 11280 1 797 . 1 1 67 67 LYS HA H 1 4.351 0.030 . 1 . . . . 67 LYS HA . 11280 1 798 . 1 1 67 67 LYS HB2 H 1 1.672 0.030 . 2 . . . . 67 LYS HB2 . 11280 1 799 . 1 1 67 67 LYS HB3 H 1 2.003 0.030 . 2 . . . . 67 LYS HB3 . 11280 1 800 . 1 1 67 67 LYS HD2 H 1 1.555 0.030 . 2 . . . . 67 LYS HD2 . 11280 1 801 . 1 1 67 67 LYS HE2 H 1 3.030 0.030 . 2 . . . . 67 LYS HE2 . 11280 1 802 . 1 1 67 67 LYS HG2 H 1 1.583 0.030 . 2 . . . . 67 LYS HG2 . 11280 1 803 . 1 1 67 67 LYS HG3 H 1 1.493 0.030 . 2 . . . . 67 LYS HG3 . 11280 1 804 . 1 1 67 67 LYS C C 13 177.633 0.300 . 1 . . . . 67 LYS C . 11280 1 805 . 1 1 67 67 LYS CA C 13 55.383 0.300 . 1 . . . . 67 LYS CA . 11280 1 806 . 1 1 67 67 LYS CB C 13 32.809 0.300 . 1 . . . . 67 LYS CB . 11280 1 807 . 1 1 67 67 LYS CD C 13 28.976 0.300 . 1 . . . . 67 LYS CD . 11280 1 808 . 1 1 67 67 LYS CE C 13 42.293 0.300 . 1 . . . . 67 LYS CE . 11280 1 809 . 1 1 67 67 LYS CG C 13 25.006 0.300 . 1 . . . . 67 LYS CG . 11280 1 810 . 1 1 67 67 LYS N N 15 122.382 0.300 . 1 . . . . 67 LYS N . 11280 1 811 . 1 1 68 68 ASP H H 1 8.722 0.030 . 1 . . . . 68 ASP H . 11280 1 812 . 1 1 68 68 ASP HA H 1 4.234 0.030 . 1 . . . . 68 ASP HA . 11280 1 813 . 1 1 68 68 ASP HB2 H 1 2.608 0.030 . 1 . . . . 68 ASP HB2 . 11280 1 814 . 1 1 68 68 ASP HB3 H 1 2.608 0.030 . 1 . . . . 68 ASP HB3 . 11280 1 815 . 1 1 68 68 ASP C C 13 177.475 0.300 . 1 . . . . 68 ASP C . 11280 1 816 . 1 1 68 68 ASP CA C 13 57.487 0.300 . 1 . . . . 68 ASP CA . 11280 1 817 . 1 1 68 68 ASP CB C 13 40.567 0.300 . 1 . . . . 68 ASP CB . 11280 1 818 . 1 1 68 68 ASP N N 15 122.629 0.300 . 1 . . . . 68 ASP N . 11280 1 819 . 1 1 69 69 GLU H H 1 8.600 0.030 . 1 . . . . 69 GLU H . 11280 1 820 . 1 1 69 69 GLU HA H 1 4.294 0.030 . 1 . . . . 69 GLU HA . 11280 1 821 . 1 1 69 69 GLU HB2 H 1 2.098 0.030 . 2 . . . . 69 GLU HB2 . 11280 1 822 . 1 1 69 69 GLU HB3 H 1 2.053 0.030 . 2 . . . . 69 GLU HB3 . 11280 1 823 . 1 1 69 69 GLU HG2 H 1 2.251 0.030 . 2 . . . . 69 GLU HG2 . 11280 1 824 . 1 1 69 69 GLU HG3 H 1 2.298 0.030 . 2 . . . . 69 GLU HG3 . 11280 1 825 . 1 1 69 69 GLU C C 13 177.285 0.300 . 1 . . . . 69 GLU C . 11280 1 826 . 1 1 69 69 GLU CA C 13 56.657 0.300 . 1 . . . . 69 GLU CA . 11280 1 827 . 1 1 69 69 GLU CB C 13 28.890 0.300 . 1 . . . . 69 GLU CB . 11280 1 828 . 1 1 69 69 GLU CG C 13 35.881 0.300 . 1 . . . . 69 GLU CG . 11280 1 829 . 1 1 69 69 GLU N N 15 112.895 0.300 . 1 . . . . 69 GLU N . 11280 1 830 . 1 1 70 70 ASP H H 1 7.800 0.030 . 1 . . . . 70 ASP H . 11280 1 831 . 1 1 70 70 ASP HA H 1 4.530 0.030 . 1 . . . . 70 ASP HA . 11280 1 832 . 1 1 70 70 ASP HB2 H 1 2.312 0.030 . 2 . . . . 70 ASP HB2 . 11280 1 833 . 1 1 70 70 ASP HB3 H 1 3.055 0.030 . 2 . . . . 70 ASP HB3 . 11280 1 834 . 1 1 70 70 ASP C C 13 174.649 0.300 . 1 . . . . 70 ASP C . 11280 1 835 . 1 1 70 70 ASP CA C 13 56.395 0.300 . 1 . . . . 70 ASP CA . 11280 1 836 . 1 1 70 70 ASP CB C 13 41.140 0.300 . 1 . . . . 70 ASP CB . 11280 1 837 . 1 1 70 70 ASP N N 15 122.993 0.300 . 1 . . . . 70 ASP N . 11280 1 838 . 1 1 71 71 VAL H H 1 7.879 0.030 . 1 . . . . 71 VAL H . 11280 1 839 . 1 1 71 71 VAL HA H 1 4.397 0.030 . 1 . . . . 71 VAL HA . 11280 1 840 . 1 1 71 71 VAL HB H 1 1.748 0.030 . 1 . . . . 71 VAL HB . 11280 1 841 . 1 1 71 71 VAL HG21 H 1 1.020 0.030 . 1 . . . . 71 VAL HG2 . 11280 1 842 . 1 1 71 71 VAL HG22 H 1 1.020 0.030 . 1 . . . . 71 VAL HG2 . 11280 1 843 . 1 1 71 71 VAL HG23 H 1 1.020 0.030 . 1 . . . . 71 VAL HG2 . 11280 1 844 . 1 1 71 71 VAL C C 13 177.387 0.300 . 1 . . . . 71 VAL C . 11280 1 845 . 1 1 71 71 VAL CA C 13 60.763 0.300 . 1 . . . . 71 VAL CA . 11280 1 846 . 1 1 71 71 VAL CB C 13 34.481 0.300 . 1 . . . . 71 VAL CB . 11280 1 847 . 1 1 71 71 VAL CG2 C 13 21.723 0.300 . 2 . . . . 71 VAL CG2 . 11280 1 848 . 1 1 71 71 VAL N N 15 119.319 0.300 . 1 . . . . 71 VAL N . 11280 1 849 . 1 1 72 72 LEU H H 1 8.513 0.030 . 1 . . . . 72 LEU H . 11280 1 850 . 1 1 72 72 LEU HA H 1 3.652 0.030 . 1 . . . . 72 LEU HA . 11280 1 851 . 1 1 72 72 LEU HB2 H 1 1.147 0.030 . 2 . . . . 72 LEU HB2 . 11280 1 852 . 1 1 72 72 LEU HB3 H 1 1.281 0.030 . 2 . . . . 72 LEU HB3 . 11280 1 853 . 1 1 72 72 LEU HD11 H 1 0.335 0.030 . 1 . . . . 72 LEU HD1 . 11280 1 854 . 1 1 72 72 LEU HD12 H 1 0.335 0.030 . 1 . . . . 72 LEU HD1 . 11280 1 855 . 1 1 72 72 LEU HD13 H 1 0.335 0.030 . 1 . . . . 72 LEU HD1 . 11280 1 856 . 1 1 72 72 LEU HD21 H 1 0.450 0.030 . 1 . . . . 72 LEU HD2 . 11280 1 857 . 1 1 72 72 LEU HD22 H 1 0.450 0.030 . 1 . . . . 72 LEU HD2 . 11280 1 858 . 1 1 72 72 LEU HD23 H 1 0.450 0.030 . 1 . . . . 72 LEU HD2 . 11280 1 859 . 1 1 72 72 LEU HG H 1 0.873 0.030 . 1 . . . . 72 LEU HG . 11280 1 860 . 1 1 72 72 LEU C C 13 178.481 0.300 . 1 . . . . 72 LEU C . 11280 1 861 . 1 1 72 72 LEU CA C 13 59.306 0.300 . 1 . . . . 72 LEU CA . 11280 1 862 . 1 1 72 72 LEU CB C 13 41.058 0.300 . 1 . . . . 72 LEU CB . 11280 1 863 . 1 1 72 72 LEU CD1 C 13 25.475 0.300 . 2 . . . . 72 LEU CD1 . 11280 1 864 . 1 1 72 72 LEU CD2 C 13 23.797 0.300 . 2 . . . . 72 LEU CD2 . 11280 1 865 . 1 1 72 72 LEU CG C 13 26.179 0.300 . 1 . . . . 72 LEU CG . 11280 1 866 . 1 1 72 72 LEU N N 15 127.424 0.300 . 1 . . . . 72 LEU N . 11280 1 867 . 1 1 73 73 GLN H H 1 7.806 0.030 . 1 . . . . 73 GLN H . 11280 1 868 . 1 1 73 73 GLN HA H 1 4.378 0.030 . 1 . . . . 73 GLN HA . 11280 1 869 . 1 1 73 73 GLN HB2 H 1 1.930 0.030 . 2 . . . . 73 GLN HB2 . 11280 1 870 . 1 1 73 73 GLN HB3 H 1 2.253 0.030 . 2 . . . . 73 GLN HB3 . 11280 1 871 . 1 1 73 73 GLN HE21 H 1 6.848 0.030 . 2 . . . . 73 GLN HE21 . 11280 1 872 . 1 1 73 73 GLN HE22 H 1 7.164 0.030 . 2 . . . . 73 GLN HE22 . 11280 1 873 . 1 1 73 73 GLN HG2 H 1 2.140 0.030 . 2 . . . . 73 GLN HG2 . 11280 1 874 . 1 1 73 73 GLN HG3 H 1 2.239 0.030 . 2 . . . . 73 GLN HG3 . 11280 1 875 . 1 1 73 73 GLN C C 13 176.429 0.300 . 1 . . . . 73 GLN C . 11280 1 876 . 1 1 73 73 GLN CA C 13 57.170 0.300 . 1 . . . . 73 GLN CA . 11280 1 877 . 1 1 73 73 GLN CB C 13 27.825 0.300 . 1 . . . . 73 GLN CB . 11280 1 878 . 1 1 73 73 GLN CG C 13 32.839 0.300 . 1 . . . . 73 GLN CG . 11280 1 879 . 1 1 73 73 GLN N N 15 110.087 0.300 . 1 . . . . 73 GLN N . 11280 1 880 . 1 1 73 73 GLN NE2 N 15 109.967 0.300 . 1 . . . . 73 GLN NE2 . 11280 1 881 . 1 1 74 74 LYS H H 1 7.687 0.030 . 1 . . . . 74 LYS H . 11280 1 882 . 1 1 74 74 LYS HA H 1 4.422 0.030 . 1 . . . . 74 LYS HA . 11280 1 883 . 1 1 74 74 LYS HB2 H 1 1.936 0.030 . 2 . . . . 74 LYS HB2 . 11280 1 884 . 1 1 74 74 LYS HB3 H 1 2.062 0.030 . 2 . . . . 74 LYS HB3 . 11280 1 885 . 1 1 74 74 LYS HD2 H 1 1.697 0.030 . 2 . . . . 74 LYS HD2 . 11280 1 886 . 1 1 74 74 LYS HE2 H 1 3.004 0.030 . 2 . . . . 74 LYS HE2 . 11280 1 887 . 1 1 74 74 LYS HG2 H 1 1.428 0.030 . 2 . . . . 74 LYS HG2 . 11280 1 888 . 1 1 74 74 LYS HG3 H 1 1.341 0.030 . 2 . . . . 74 LYS HG3 . 11280 1 889 . 1 1 74 74 LYS C C 13 176.937 0.300 . 1 . . . . 74 LYS C . 11280 1 890 . 1 1 74 74 LYS CA C 13 55.763 0.300 . 1 . . . . 74 LYS CA . 11280 1 891 . 1 1 74 74 LYS CB C 13 32.428 0.300 . 1 . . . . 74 LYS CB . 11280 1 892 . 1 1 74 74 LYS CD C 13 28.811 0.300 . 1 . . . . 74 LYS CD . 11280 1 893 . 1 1 74 74 LYS CE C 13 42.211 0.300 . 1 . . . . 74 LYS CE . 11280 1 894 . 1 1 74 74 LYS CG C 13 25.596 0.300 . 1 . . . . 74 LYS CG . 11280 1 895 . 1 1 74 74 LYS N N 15 117.316 0.300 . 1 . . . . 74 LYS N . 11280 1 896 . 1 1 75 75 LEU H H 1 7.786 0.030 . 1 . . . . 75 LEU H . 11280 1 897 . 1 1 75 75 LEU HA H 1 4.674 0.030 . 1 . . . . 75 LEU HA . 11280 1 898 . 1 1 75 75 LEU HB2 H 1 1.198 0.030 . 2 . . . . 75 LEU HB2 . 11280 1 899 . 1 1 75 75 LEU HB3 H 1 2.158 0.030 . 2 . . . . 75 LEU HB3 . 11280 1 900 . 1 1 75 75 LEU HD11 H 1 0.774 0.030 . 1 . . . . 75 LEU HD1 . 11280 1 901 . 1 1 75 75 LEU HD12 H 1 0.774 0.030 . 1 . . . . 75 LEU HD1 . 11280 1 902 . 1 1 75 75 LEU HD13 H 1 0.774 0.030 . 1 . . . . 75 LEU HD1 . 11280 1 903 . 1 1 75 75 LEU HD21 H 1 0.862 0.030 . 1 . . . . 75 LEU HD2 . 11280 1 904 . 1 1 75 75 LEU HD22 H 1 0.862 0.030 . 1 . . . . 75 LEU HD2 . 11280 1 905 . 1 1 75 75 LEU HD23 H 1 0.862 0.030 . 1 . . . . 75 LEU HD2 . 11280 1 906 . 1 1 75 75 LEU HG H 1 2.030 0.030 . 1 . . . . 75 LEU HG . 11280 1 907 . 1 1 75 75 LEU C C 13 176.526 0.300 . 1 . . . . 75 LEU C . 11280 1 908 . 1 1 75 75 LEU CA C 13 52.668 0.300 . 1 . . . . 75 LEU CA . 11280 1 909 . 1 1 75 75 LEU CB C 13 42.540 0.300 . 1 . . . . 75 LEU CB . 11280 1 910 . 1 1 75 75 LEU CD1 C 13 25.944 0.300 . 2 . . . . 75 LEU CD1 . 11280 1 911 . 1 1 75 75 LEU CD2 C 13 18.909 0.300 . 2 . . . . 75 LEU CD2 . 11280 1 912 . 1 1 75 75 LEU CG C 13 26.179 0.300 . 1 . . . . 75 LEU CG . 11280 1 913 . 1 1 75 75 LEU N N 15 122.393 0.300 . 1 . . . . 75 LEU N . 11280 1 914 . 1 1 76 76 PRO HA H 1 4.897 0.030 . 1 . . . . 76 PRO HA . 11280 1 915 . 1 1 76 76 PRO HB2 H 1 1.923 0.030 . 2 . . . . 76 PRO HB2 . 11280 1 916 . 1 1 76 76 PRO HB3 H 1 2.391 0.030 . 2 . . . . 76 PRO HB3 . 11280 1 917 . 1 1 76 76 PRO HD2 H 1 3.489 0.030 . 2 . . . . 76 PRO HD2 . 11280 1 918 . 1 1 76 76 PRO HD3 H 1 3.740 0.030 . 2 . . . . 76 PRO HD3 . 11280 1 919 . 1 1 76 76 PRO HG2 H 1 1.998 0.030 . 2 . . . . 76 PRO HG2 . 11280 1 920 . 1 1 76 76 PRO HG3 H 1 2.148 0.030 . 2 . . . . 76 PRO HG3 . 11280 1 921 . 1 1 76 76 PRO C C 13 175.165 0.300 . 1 . . . . 76 PRO C . 11280 1 922 . 1 1 76 76 PRO CA C 13 62.552 0.300 . 1 . . . . 76 PRO CA . 11280 1 923 . 1 1 76 76 PRO CB C 13 27.821 0.300 . 1 . . . . 76 PRO CB . 11280 1 924 . 1 1 76 76 PRO CD C 13 49.938 0.300 . 1 . . . . 76 PRO CD . 11280 1 925 . 1 1 76 76 PRO CG C 13 27.821 0.300 . 1 . . . . 76 PRO CG . 11280 1 926 . 1 1 77 77 VAL H H 1 8.317 0.030 . 1 . . . . 77 VAL H . 11280 1 927 . 1 1 77 77 VAL HA H 1 4.718 0.030 . 1 . . . . 77 VAL HA . 11280 1 928 . 1 1 77 77 VAL HB H 1 2.326 0.030 . 1 . . . . 77 VAL HB . 11280 1 929 . 1 1 77 77 VAL HG11 H 1 0.893 0.030 . 1 . . . . 77 VAL HG1 . 11280 1 930 . 1 1 77 77 VAL HG12 H 1 0.893 0.030 . 1 . . . . 77 VAL HG1 . 11280 1 931 . 1 1 77 77 VAL HG13 H 1 0.893 0.030 . 1 . . . . 77 VAL HG1 . 11280 1 932 . 1 1 77 77 VAL HG21 H 1 0.850 0.030 . 1 . . . . 77 VAL HG2 . 11280 1 933 . 1 1 77 77 VAL HG22 H 1 0.850 0.030 . 1 . . . . 77 VAL HG2 . 11280 1 934 . 1 1 77 77 VAL HG23 H 1 0.850 0.030 . 1 . . . . 77 VAL HG2 . 11280 1 935 . 1 1 77 77 VAL C C 13 176.466 0.300 . 1 . . . . 77 VAL C . 11280 1 936 . 1 1 77 77 VAL CA C 13 59.175 0.300 . 1 . . . . 77 VAL CA . 11280 1 937 . 1 1 77 77 VAL CB C 13 35.141 0.300 . 1 . . . . 77 VAL CB . 11280 1 938 . 1 1 77 77 VAL CG1 C 13 22.427 0.300 . 2 . . . . 77 VAL CG1 . 11280 1 939 . 1 1 77 77 VAL CG2 C 13 22.399 0.300 . 2 . . . . 77 VAL CG2 . 11280 1 940 . 1 1 77 77 VAL N N 15 116.178 0.300 . 1 . . . . 77 VAL N . 11280 1 941 . 1 1 78 78 GLY H H 1 8.502 0.030 . 1 . . . . 78 GLY H . 11280 1 942 . 1 1 78 78 GLY HA2 H 1 3.833 0.030 . 2 . . . . 78 GLY HA2 . 11280 1 943 . 1 1 78 78 GLY HA3 H 1 4.360 0.030 . 2 . . . . 78 GLY HA3 . 11280 1 944 . 1 1 78 78 GLY C C 13 171.533 0.300 . 1 . . . . 78 GLY C . 11280 1 945 . 1 1 78 78 GLY CA C 13 43.931 0.300 . 1 . . . . 78 GLY CA . 11280 1 946 . 1 1 78 78 GLY N N 15 111.345 0.300 . 1 . . . . 78 GLY N . 11280 1 947 . 1 1 79 79 THR H H 1 7.652 0.030 . 1 . . . . 79 THR H . 11280 1 948 . 1 1 79 79 THR HA H 1 3.533 0.030 . 1 . . . . 79 THR HA . 11280 1 949 . 1 1 79 79 THR HB H 1 4.093 0.030 . 1 . . . . 79 THR HB . 11280 1 950 . 1 1 79 79 THR HG21 H 1 0.909 0.030 . 1 . . . . 79 THR HG2 . 11280 1 951 . 1 1 79 79 THR HG22 H 1 0.909 0.030 . 1 . . . . 79 THR HG2 . 11280 1 952 . 1 1 79 79 THR HG23 H 1 0.909 0.030 . 1 . . . . 79 THR HG2 . 11280 1 953 . 1 1 79 79 THR C C 13 176.200 0.300 . 1 . . . . 79 THR C . 11280 1 954 . 1 1 79 79 THR CA C 13 64.627 0.300 . 1 . . . . 79 THR CA . 11280 1 955 . 1 1 79 79 THR CB C 13 68.456 0.300 . 1 . . . . 79 THR CB . 11280 1 956 . 1 1 79 79 THR CG2 C 13 22.070 0.300 . 1 . . . . 79 THR CG2 . 11280 1 957 . 1 1 79 79 THR N N 15 106.642 0.300 . 1 . . . . 79 THR N . 11280 1 958 . 1 1 80 80 THR H H 1 7.466 0.030 . 1 . . . . 80 THR H . 11280 1 959 . 1 1 80 80 THR HA H 1 4.810 0.030 . 1 . . . . 80 THR HA . 11280 1 960 . 1 1 80 80 THR HB H 1 3.988 0.030 . 1 . . . . 80 THR HB . 11280 1 961 . 1 1 80 80 THR HG21 H 1 1.170 0.030 . 1 . . . . 80 THR HG2 . 11280 1 962 . 1 1 80 80 THR HG22 H 1 1.170 0.030 . 1 . . . . 80 THR HG2 . 11280 1 963 . 1 1 80 80 THR HG23 H 1 1.170 0.030 . 1 . . . . 80 THR HG2 . 11280 1 964 . 1 1 80 80 THR C C 13 173.617 0.300 . 1 . . . . 80 THR C . 11280 1 965 . 1 1 80 80 THR CA C 13 62.055 0.300 . 1 . . . . 80 THR CA . 11280 1 966 . 1 1 80 80 THR CB C 13 69.154 0.300 . 1 . . . . 80 THR CB . 11280 1 967 . 1 1 80 80 THR CG2 C 13 21.070 0.300 . 1 . . . . 80 THR CG2 . 11280 1 968 . 1 1 80 80 THR N N 15 115.609 0.300 . 1 . . . . 80 THR N . 11280 1 969 . 1 1 81 81 ALA H H 1 9.121 0.030 . 1 . . . . 81 ALA H . 11280 1 970 . 1 1 81 81 ALA HA H 1 4.594 0.030 . 1 . . . . 81 ALA HA . 11280 1 971 . 1 1 81 81 ALA HB1 H 1 1.385 0.030 . 1 . . . . 81 ALA HB . 11280 1 972 . 1 1 81 81 ALA HB2 H 1 1.385 0.030 . 1 . . . . 81 ALA HB . 11280 1 973 . 1 1 81 81 ALA HB3 H 1 1.385 0.030 . 1 . . . . 81 ALA HB . 11280 1 974 . 1 1 81 81 ALA C C 13 175.436 0.300 . 1 . . . . 81 ALA C . 11280 1 975 . 1 1 81 81 ALA CA C 13 51.185 0.300 . 1 . . . . 81 ALA CA . 11280 1 976 . 1 1 81 81 ALA CB C 13 20.674 0.300 . 1 . . . . 81 ALA CB . 11280 1 977 . 1 1 81 81 ALA N N 15 131.305 0.300 . 1 . . . . 81 ALA N . 11280 1 978 . 1 1 82 82 THR H H 1 8.400 0.030 . 1 . . . . 82 THR H . 11280 1 979 . 1 1 82 82 THR HA H 1 4.911 0.030 . 1 . . . . 82 THR HA . 11280 1 980 . 1 1 82 82 THR HB H 1 3.790 0.030 . 1 . . . . 82 THR HB . 11280 1 981 . 1 1 82 82 THR HG21 H 1 0.781 0.030 . 1 . . . . 82 THR HG2 . 11280 1 982 . 1 1 82 82 THR HG22 H 1 0.781 0.030 . 1 . . . . 82 THR HG2 . 11280 1 983 . 1 1 82 82 THR HG23 H 1 0.781 0.030 . 1 . . . . 82 THR HG2 . 11280 1 984 . 1 1 82 82 THR C C 13 172.966 0.300 . 1 . . . . 82 THR C . 11280 1 985 . 1 1 82 82 THR CA C 13 62.417 0.300 . 1 . . . . 82 THR CA . 11280 1 986 . 1 1 82 82 THR CB C 13 69.976 0.300 . 1 . . . . 82 THR CB . 11280 1 987 . 1 1 82 82 THR CG2 C 13 21.415 0.300 . 1 . . . . 82 THR CG2 . 11280 1 988 . 1 1 82 82 THR N N 15 120.722 0.300 . 1 . . . . 82 THR N . 11280 1 989 . 1 1 83 83 LEU H H 1 8.696 0.030 . 1 . . . . 83 LEU H . 11280 1 990 . 1 1 83 83 LEU HA H 1 4.916 0.030 . 1 . . . . 83 LEU HA . 11280 1 991 . 1 1 83 83 LEU HB2 H 1 1.181 0.030 . 2 . . . . 83 LEU HB2 . 11280 1 992 . 1 1 83 83 LEU HB3 H 1 1.396 0.030 . 2 . . . . 83 LEU HB3 . 11280 1 993 . 1 1 83 83 LEU HD11 H 1 0.560 0.030 . 1 . . . . 83 LEU HD1 . 11280 1 994 . 1 1 83 83 LEU HD12 H 1 0.560 0.030 . 1 . . . . 83 LEU HD1 . 11280 1 995 . 1 1 83 83 LEU HD13 H 1 0.560 0.030 . 1 . . . . 83 LEU HD1 . 11280 1 996 . 1 1 83 83 LEU HD21 H 1 0.652 0.030 . 1 . . . . 83 LEU HD2 . 11280 1 997 . 1 1 83 83 LEU HD22 H 1 0.652 0.030 . 1 . . . . 83 LEU HD2 . 11280 1 998 . 1 1 83 83 LEU HD23 H 1 0.652 0.030 . 1 . . . . 83 LEU HD2 . 11280 1 999 . 1 1 83 83 LEU C C 13 174.529 0.300 . 1 . . . . 83 LEU C . 11280 1 1000 . 1 1 83 83 LEU CA C 13 51.971 0.300 . 1 . . . . 83 LEU CA . 11280 1 1001 . 1 1 83 83 LEU CB C 13 45.842 0.300 . 1 . . . . 83 LEU CB . 11280 1 1002 . 1 1 83 83 LEU CD1 C 13 26.263 0.300 . 2 . . . . 83 LEU CD1 . 11280 1 1003 . 1 1 83 83 LEU CD2 C 13 23.386 0.300 . 2 . . . . 83 LEU CD2 . 11280 1 1004 . 1 1 83 83 LEU N N 15 124.051 0.300 . 1 . . . . 83 LEU N . 11280 1 1005 . 1 1 84 84 TYR H H 1 9.175 0.030 . 1 . . . . 84 TYR H . 11280 1 1006 . 1 1 84 84 TYR HA H 1 5.283 0.030 . 1 . . . . 84 TYR HA . 11280 1 1007 . 1 1 84 84 TYR HB2 H 1 2.308 0.030 . 2 . . . . 84 TYR HB2 . 11280 1 1008 . 1 1 84 84 TYR HB3 H 1 2.406 0.030 . 2 . . . . 84 TYR HB3 . 11280 1 1009 . 1 1 84 84 TYR HD1 H 1 6.671 0.030 . 1 . . . . 84 TYR HD1 . 11280 1 1010 . 1 1 84 84 TYR HD2 H 1 6.671 0.030 . 1 . . . . 84 TYR HD2 . 11280 1 1011 . 1 1 84 84 TYR HE1 H 1 6.696 0.030 . 1 . . . . 84 TYR HE1 . 11280 1 1012 . 1 1 84 84 TYR HE2 H 1 6.696 0.030 . 1 . . . . 84 TYR HE2 . 11280 1 1013 . 1 1 84 84 TYR C C 13 175.459 0.300 . 1 . . . . 84 TYR C . 11280 1 1014 . 1 1 84 84 TYR CA C 13 56.608 0.300 . 1 . . . . 84 TYR CA . 11280 1 1015 . 1 1 84 84 TYR CB C 13 40.813 0.300 . 1 . . . . 84 TYR CB . 11280 1 1016 . 1 1 84 84 TYR CD1 C 13 132.633 0.300 . 1 . . . . 84 TYR CD1 . 11280 1 1017 . 1 1 84 84 TYR CD2 C 13 132.633 0.300 . 1 . . . . 84 TYR CD2 . 11280 1 1018 . 1 1 84 84 TYR CE1 C 13 118.525 0.300 . 1 . . . . 84 TYR CE1 . 11280 1 1019 . 1 1 84 84 TYR CE2 C 13 118.525 0.300 . 1 . . . . 84 TYR CE2 . 11280 1 1020 . 1 1 84 84 TYR N N 15 116.907 0.300 . 1 . . . . 84 TYR N . 11280 1 1021 . 1 1 85 85 PHE H H 1 9.117 0.030 . 1 . . . . 85 PHE H . 11280 1 1022 . 1 1 85 85 PHE HA H 1 5.393 0.030 . 1 . . . . 85 PHE HA . 11280 1 1023 . 1 1 85 85 PHE HB2 H 1 2.466 0.030 . 2 . . . . 85 PHE HB2 . 11280 1 1024 . 1 1 85 85 PHE HB3 H 1 2.323 0.030 . 2 . . . . 85 PHE HB3 . 11280 1 1025 . 1 1 85 85 PHE HD1 H 1 6.635 0.030 . 1 . . . . 85 PHE HD1 . 11280 1 1026 . 1 1 85 85 PHE HD2 H 1 6.635 0.030 . 1 . . . . 85 PHE HD2 . 11280 1 1027 . 1 1 85 85 PHE HE1 H 1 6.386 0.030 . 1 . . . . 85 PHE HE1 . 11280 1 1028 . 1 1 85 85 PHE HE2 H 1 6.386 0.030 . 1 . . . . 85 PHE HE2 . 11280 1 1029 . 1 1 85 85 PHE HZ H 1 5.810 0.030 . 1 . . . . 85 PHE HZ . 11280 1 1030 . 1 1 85 85 PHE C C 13 174.059 0.300 . 1 . . . . 85 PHE C . 11280 1 1031 . 1 1 85 85 PHE CA C 13 56.185 0.300 . 1 . . . . 85 PHE CA . 11280 1 1032 . 1 1 85 85 PHE CB C 13 42.622 0.300 . 1 . . . . 85 PHE CB . 11280 1 1033 . 1 1 85 85 PHE CD1 C 13 131.271 0.300 . 1 . . . . 85 PHE CD1 . 11280 1 1034 . 1 1 85 85 PHE CD2 C 13 131.271 0.300 . 1 . . . . 85 PHE CD2 . 11280 1 1035 . 1 1 85 85 PHE CE1 C 13 130.413 0.300 . 1 . . . . 85 PHE CE1 . 11280 1 1036 . 1 1 85 85 PHE CE2 C 13 130.413 0.300 . 1 . . . . 85 PHE CE2 . 11280 1 1037 . 1 1 85 85 PHE CZ C 13 128.779 0.300 . 1 . . . . 85 PHE CZ . 11280 1 1038 . 1 1 85 85 PHE N N 15 122.833 0.300 . 1 . . . . 85 PHE N . 11280 1 1039 . 1 1 86 86 ARG H H 1 7.960 0.030 . 1 . . . . 86 ARG H . 11280 1 1040 . 1 1 86 86 ARG HA H 1 3.745 0.030 . 1 . . . . 86 ARG HA . 11280 1 1041 . 1 1 86 86 ARG HB2 H 1 1.279 0.030 . 2 . . . . 86 ARG HB2 . 11280 1 1042 . 1 1 86 86 ARG HB3 H 1 1.492 0.030 . 2 . . . . 86 ARG HB3 . 11280 1 1043 . 1 1 86 86 ARG HD2 H 1 3.088 0.030 . 2 . . . . 86 ARG HD2 . 11280 1 1044 . 1 1 86 86 ARG HD3 H 1 3.032 0.030 . 2 . . . . 86 ARG HD3 . 11280 1 1045 . 1 1 86 86 ARG HG2 H 1 1.385 0.030 . 2 . . . . 86 ARG HG2 . 11280 1 1046 . 1 1 86 86 ARG HG3 H 1 1.429 0.030 . 2 . . . . 86 ARG HG3 . 11280 1 1047 . 1 1 86 86 ARG C C 13 172.092 0.300 . 1 . . . . 86 ARG C . 11280 1 1048 . 1 1 86 86 ARG CA C 13 54.745 0.300 . 1 . . . . 86 ARG CA . 11280 1 1049 . 1 1 86 86 ARG CB C 13 33.678 0.300 . 1 . . . . 86 ARG CB . 11280 1 1050 . 1 1 86 86 ARG CD C 13 43.444 0.300 . 1 . . . . 86 ARG CD . 11280 1 1051 . 1 1 86 86 ARG CG C 13 26.838 0.300 . 1 . . . . 86 ARG CG . 11280 1 1052 . 1 1 86 86 ARG N N 15 128.225 0.300 . 1 . . . . 86 ARG N . 11280 1 1053 . 1 1 87 87 ASP H H 1 8.135 0.030 . 1 . . . . 87 ASP H . 11280 1 1054 . 1 1 87 87 ASP HA H 1 4.360 0.030 . 1 . . . . 87 ASP HA . 11280 1 1055 . 1 1 87 87 ASP HB2 H 1 2.160 0.030 . 2 . . . . 87 ASP HB2 . 11280 1 1056 . 1 1 87 87 ASP HB3 H 1 2.378 0.030 . 2 . . . . 87 ASP HB3 . 11280 1 1057 . 1 1 87 87 ASP C C 13 174.809 0.300 . 1 . . . . 87 ASP C . 11280 1 1058 . 1 1 87 87 ASP CA C 13 53.116 0.300 . 1 . . . . 87 ASP CA . 11280 1 1059 . 1 1 87 87 ASP CB C 13 40.695 0.300 . 1 . . . . 87 ASP CB . 11280 1 1060 . 1 1 87 87 ASP N N 15 122.568 0.300 . 1 . . . . 87 ASP N . 11280 1 1061 . 1 1 88 88 LEU H H 1 8.090 0.030 . 1 . . . . 88 LEU H . 11280 1 1062 . 1 1 88 88 LEU HA H 1 4.068 0.030 . 1 . . . . 88 LEU HA . 11280 1 1063 . 1 1 88 88 LEU HB2 H 1 1.399 0.030 . 2 . . . . 88 LEU HB2 . 11280 1 1064 . 1 1 88 88 LEU HB3 H 1 1.504 0.030 . 2 . . . . 88 LEU HB3 . 11280 1 1065 . 1 1 88 88 LEU HD11 H 1 0.775 0.030 . 1 . . . . 88 LEU HD1 . 11280 1 1066 . 1 1 88 88 LEU HD12 H 1 0.775 0.030 . 1 . . . . 88 LEU HD1 . 11280 1 1067 . 1 1 88 88 LEU HD13 H 1 0.775 0.030 . 1 . . . . 88 LEU HD1 . 11280 1 1068 . 1 1 88 88 LEU HD21 H 1 0.742 0.030 . 1 . . . . 88 LEU HD2 . 11280 1 1069 . 1 1 88 88 LEU HD22 H 1 0.742 0.030 . 1 . . . . 88 LEU HD2 . 11280 1 1070 . 1 1 88 88 LEU HD23 H 1 0.742 0.030 . 1 . . . . 88 LEU HD2 . 11280 1 1071 . 1 1 88 88 LEU HG H 1 1.862 0.030 . 1 . . . . 88 LEU HG . 11280 1 1072 . 1 1 88 88 LEU C C 13 182.415 0.300 . 1 . . . . 88 LEU C . 11280 1 1073 . 1 1 88 88 LEU CA C 13 56.436 0.300 . 1 . . . . 88 LEU CA . 11280 1 1074 . 1 1 88 88 LEU CB C 13 43.970 0.300 . 1 . . . . 88 LEU CB . 11280 1 1075 . 1 1 88 88 LEU CD1 C 13 25.475 0.300 . 2 . . . . 88 LEU CD1 . 11280 1 1076 . 1 1 88 88 LEU CD2 C 13 23.599 0.300 . 2 . . . . 88 LEU CD2 . 11280 1 1077 . 1 1 88 88 LEU N N 15 128.535 0.300 . 1 . . . . 88 LEU N . 11280 1 stop_ save_