data_10282 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10282 _Entry.Title ; Solution structure of the homeobox domain of the human hypothetical protein FLJ21616 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 S. Ohnishi . . . 10282 2 T. Kigawa . . . 10282 3 T. Tomizawa . . . 10282 4 S. Koshiba . . . 10282 5 M. Inoue . . . 10282 6 S. Yokoyama . . . 10282 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 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10282 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10282 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 10282 '15N chemical shifts' 89 10282 '1H chemical shifts' 581 10282 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 . . 2009-12-17 2008-12-17 original author . 10282 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CUF 'BMRB Entry Tracking System' 10282 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10282 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the homeobox domain of the human hypothetical protein FLJ21616 ; _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 S. Ohnishi . . . 10282 1 2 T. Kigawa . . . 10282 1 3 T. Tomizawa . . . 10282 1 4 S. Koshiba . . . 10282 1 5 M. Inoue . . . 10282 1 6 S. Yokoyama . . . 10282 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10282 _Assembly.ID 1 _Assembly.Name 'FLJ21616 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10282 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 . PDB 2CUF . . . . . . 10282 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10282 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRGSRFTWRKECLA VMESYFNENQYPDEAKREEI ANACNAVIQKPGKKLSDLER VTSLKVYNWFANRRKEIKRR ANIAAILESSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CUF . "Solution Structure Of The Homeobox Domain Of The Human Hypothetical Protein Flj21616" . . . . . 100.00 95 100.00 100.00 2.48e-61 . . . . 10282 1 2 no PDB 4J19 . "Structure Of A Novel Telomere Repeat Binding Protein Bound To Dna" . . . . . 82.11 113 98.72 98.72 4.70e-48 . . . . 10282 1 3 no DBJ BAB15099 . "unnamed protein product [Homo sapiens]" . . . . . 89.47 324 97.65 97.65 8.17e-50 . . . . 10282 1 4 no DBJ BAC35118 . "unnamed protein product [Mus musculus]" . . . . . 88.42 405 98.81 98.81 8.20e-51 . . . . 10282 1 5 no DBJ BAC40961 . "unnamed protein product [Mus musculus]" . . . . . 88.42 419 98.81 98.81 2.93e-51 . . . . 10282 1 6 no DBJ BAF83372 . "unnamed protein product [Homo sapiens]" . . . . . 89.47 420 97.65 97.65 1.64e-49 . . . . 10282 1 7 no DBJ BAG58297 . "unnamed protein product [Homo sapiens]" . . . . . 88.42 443 98.81 98.81 7.03e-51 . . . . 10282 1 8 no GB AAH02212 . "Hmbox1 protein, partial [Mus musculus]" . . . . . 88.42 313 98.81 98.81 2.60e-51 . . . . 10282 1 9 no GB AAH09259 . "HMBOX1 protein, partial [Homo sapiens]" . . . . . 88.42 333 98.81 98.81 2.73e-51 . . . . 10282 1 10 no GB AAH51457 . "Hmbox1 protein [Mus musculus]" . . . . . 89.47 404 97.65 97.65 3.55e-49 . . . . 10282 1 11 no GB AAH69242 . "Homeobox containing 1 [Homo sapiens]" . . . . . 89.47 420 97.65 97.65 1.64e-49 . . . . 10282 1 12 no GB AAH77394 . "MGC81685 protein [Xenopus laevis]" . . . . . 88.42 361 97.62 97.62 5.79e-49 . . . . 10282 1 13 no REF NP_001086952 . "homeobox containing 1 [Xenopus laevis]" . . . . . 88.42 405 97.62 97.62 5.14e-49 . . . . 10282 1 14 no REF NP_001087099 . "homeobox containing 1 [Xenopus laevis]" . . . . . 88.42 361 97.62 97.62 5.79e-49 . . . . 10282 1 15 no REF NP_001129198 . "homeobox-containing protein 1 [Homo sapiens]" . . . . . 89.47 420 97.65 97.65 1.64e-49 . . . . 10282 1 16 no REF NP_001179100 . "homeobox-containing protein 1 [Bos taurus]" . . . . . 89.47 420 97.65 97.65 1.64e-49 . . . . 10282 1 17 no REF NP_001264645 . "homeobox-containing protein 1 [Gallus gallus]" . . . . . 88.42 454 98.81 98.81 1.58e-50 . . . . 10282 1 18 no SP Q6NT76 . "RecName: Full=Homeobox-containing protein 1" . . . . . 89.47 420 97.65 97.65 1.64e-49 . . . . 10282 1 19 no SP Q8BJA3 . "RecName: Full=Homeobox-containing protein 1" . . . . . 88.42 419 98.81 98.81 2.93e-51 . . . . 10282 1 20 no TPG DAA27058 . "TPA: homeobox containing 1 [Bos taurus]" . . . . . 89.47 420 97.65 97.65 1.64e-49 . . . . 10282 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10282 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 . 10282 1 2 . SER . 10282 1 3 . SER . 10282 1 4 . GLY . 10282 1 5 . SER . 10282 1 6 . SER . 10282 1 7 . GLY . 10282 1 8 . ARG . 10282 1 9 . GLY . 10282 1 10 . SER . 10282 1 11 . ARG . 10282 1 12 . PHE . 10282 1 13 . THR . 10282 1 14 . TRP . 10282 1 15 . ARG . 10282 1 16 . LYS . 10282 1 17 . GLU . 10282 1 18 . CYS . 10282 1 19 . LEU . 10282 1 20 . ALA . 10282 1 21 . VAL . 10282 1 22 . MET . 10282 1 23 . GLU . 10282 1 24 . SER . 10282 1 25 . TYR . 10282 1 26 . PHE . 10282 1 27 . ASN . 10282 1 28 . GLU . 10282 1 29 . ASN . 10282 1 30 . GLN . 10282 1 31 . TYR . 10282 1 32 . PRO . 10282 1 33 . ASP . 10282 1 34 . GLU . 10282 1 35 . ALA . 10282 1 36 . LYS . 10282 1 37 . ARG . 10282 1 38 . GLU . 10282 1 39 . GLU . 10282 1 40 . ILE . 10282 1 41 . ALA . 10282 1 42 . ASN . 10282 1 43 . ALA . 10282 1 44 . CYS . 10282 1 45 . ASN . 10282 1 46 . ALA . 10282 1 47 . VAL . 10282 1 48 . ILE . 10282 1 49 . GLN . 10282 1 50 . LYS . 10282 1 51 . PRO . 10282 1 52 . GLY . 10282 1 53 . LYS . 10282 1 54 . LYS . 10282 1 55 . LEU . 10282 1 56 . SER . 10282 1 57 . ASP . 10282 1 58 . LEU . 10282 1 59 . GLU . 10282 1 60 . ARG . 10282 1 61 . VAL . 10282 1 62 . THR . 10282 1 63 . SER . 10282 1 64 . LEU . 10282 1 65 . LYS . 10282 1 66 . VAL . 10282 1 67 . TYR . 10282 1 68 . ASN . 10282 1 69 . TRP . 10282 1 70 . PHE . 10282 1 71 . ALA . 10282 1 72 . ASN . 10282 1 73 . ARG . 10282 1 74 . ARG . 10282 1 75 . LYS . 10282 1 76 . GLU . 10282 1 77 . ILE . 10282 1 78 . LYS . 10282 1 79 . ARG . 10282 1 80 . ARG . 10282 1 81 . ALA . 10282 1 82 . ASN . 10282 1 83 . ILE . 10282 1 84 . ALA . 10282 1 85 . ALA . 10282 1 86 . ILE . 10282 1 87 . LEU . 10282 1 88 . GLU . 10282 1 89 . SER . 10282 1 90 . SER . 10282 1 91 . GLY . 10282 1 92 . PRO . 10282 1 93 . SER . 10282 1 94 . SER . 10282 1 95 . GLY . 10282 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 10282 1 . SER 2 2 10282 1 . SER 3 3 10282 1 . GLY 4 4 10282 1 . SER 5 5 10282 1 . SER 6 6 10282 1 . GLY 7 7 10282 1 . ARG 8 8 10282 1 . GLY 9 9 10282 1 . SER 10 10 10282 1 . ARG 11 11 10282 1 . PHE 12 12 10282 1 . THR 13 13 10282 1 . TRP 14 14 10282 1 . ARG 15 15 10282 1 . LYS 16 16 10282 1 . GLU 17 17 10282 1 . CYS 18 18 10282 1 . LEU 19 19 10282 1 . ALA 20 20 10282 1 . VAL 21 21 10282 1 . MET 22 22 10282 1 . GLU 23 23 10282 1 . SER 24 24 10282 1 . TYR 25 25 10282 1 . PHE 26 26 10282 1 . ASN 27 27 10282 1 . GLU 28 28 10282 1 . ASN 29 29 10282 1 . GLN 30 30 10282 1 . TYR 31 31 10282 1 . PRO 32 32 10282 1 . ASP 33 33 10282 1 . GLU 34 34 10282 1 . ALA 35 35 10282 1 . LYS 36 36 10282 1 . ARG 37 37 10282 1 . GLU 38 38 10282 1 . GLU 39 39 10282 1 . ILE 40 40 10282 1 . ALA 41 41 10282 1 . ASN 42 42 10282 1 . ALA 43 43 10282 1 . CYS 44 44 10282 1 . ASN 45 45 10282 1 . ALA 46 46 10282 1 . VAL 47 47 10282 1 . ILE 48 48 10282 1 . GLN 49 49 10282 1 . LYS 50 50 10282 1 . PRO 51 51 10282 1 . GLY 52 52 10282 1 . LYS 53 53 10282 1 . LYS 54 54 10282 1 . LEU 55 55 10282 1 . SER 56 56 10282 1 . ASP 57 57 10282 1 . LEU 58 58 10282 1 . GLU 59 59 10282 1 . ARG 60 60 10282 1 . VAL 61 61 10282 1 . THR 62 62 10282 1 . SER 63 63 10282 1 . LEU 64 64 10282 1 . LYS 65 65 10282 1 . VAL 66 66 10282 1 . TYR 67 67 10282 1 . ASN 68 68 10282 1 . TRP 69 69 10282 1 . PHE 70 70 10282 1 . ALA 71 71 10282 1 . ASN 72 72 10282 1 . ARG 73 73 10282 1 . ARG 74 74 10282 1 . LYS 75 75 10282 1 . GLU 76 76 10282 1 . ILE 77 77 10282 1 . LYS 78 78 10282 1 . ARG 79 79 10282 1 . ARG 80 80 10282 1 . ALA 81 81 10282 1 . ASN 82 82 10282 1 . ILE 83 83 10282 1 . ALA 84 84 10282 1 . ALA 85 85 10282 1 . ILE 86 86 10282 1 . LEU 87 87 10282 1 . GLU 88 88 10282 1 . SER 89 89 10282 1 . SER 90 90 10282 1 . GLY 91 91 10282 1 . PRO 92 92 10282 1 . SER 93 93 10282 1 . SER 94 94 10282 1 . GLY 95 95 10282 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 10282 _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 . . . . . . . . . . . . . . . . . . . . . 10282 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 10282 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P041004-01 . . . . . . 10282 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10282 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.40 . . mM . . . . 10282 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10282 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10282 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10282 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10282 1 6 H2O . . . . . . solvent 90 . . % . . . . 10282 1 7 D2O . . . . . . solvent 10 . . % . . . . 10282 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 10282 _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 10282 1 pH 7.0 0.05 pH 10282 1 pressure 1 0.001 atm 10282 1 temperature 298 0.1 K 10282 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10282 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10282 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10282 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10282 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10282 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10282 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10282 _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.' . . 10282 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10282 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10282 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10282 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10282 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10282 _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.' . . 10282 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10282 5 'structure solution' 10282 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 10282 _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 10282 _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 . . . 10282 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 10282 _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 . . . . . . . . . . . . . . . . 10282 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10282 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 10282 _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 . . . . . . . . . 10282 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10282 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10282 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 10282 _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 10282 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10282 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 11 11 ARG HA H 1 4.442 0.030 . 1 . . . . 11 ARG HA . 10282 1 2 . 1 1 11 11 ARG HB2 H 1 1.746 0.030 . 2 . . . . 11 ARG HB2 . 10282 1 3 . 1 1 11 11 ARG HB3 H 1 1.867 0.030 . 2 . . . . 11 ARG HB3 . 10282 1 4 . 1 1 11 11 ARG HD2 H 1 3.194 0.030 . 2 . . . . 11 ARG HD2 . 10282 1 5 . 1 1 11 11 ARG HG2 H 1 1.606 0.030 . 2 . . . . 11 ARG HG2 . 10282 1 6 . 1 1 11 11 ARG C C 13 175.365 0.300 . 1 . . . . 11 ARG C . 10282 1 7 . 1 1 11 11 ARG CA C 13 55.738 0.300 . 1 . . . . 11 ARG CA . 10282 1 8 . 1 1 11 11 ARG CB C 13 31.419 0.300 . 1 . . . . 11 ARG CB . 10282 1 9 . 1 1 11 11 ARG CD C 13 43.436 0.300 . 1 . . . . 11 ARG CD . 10282 1 10 . 1 1 11 11 ARG CG C 13 26.895 0.300 . 1 . . . . 11 ARG CG . 10282 1 11 . 1 1 12 12 PHE H H 1 8.430 0.030 . 1 . . . . 12 PHE H . 10282 1 12 . 1 1 12 12 PHE HA H 1 4.481 0.030 . 1 . . . . 12 PHE HA . 10282 1 13 . 1 1 12 12 PHE HB2 H 1 3.075 0.030 . 2 . . . . 12 PHE HB2 . 10282 1 14 . 1 1 12 12 PHE HB3 H 1 2.734 0.030 . 2 . . . . 12 PHE HB3 . 10282 1 15 . 1 1 12 12 PHE HD1 H 1 6.789 0.030 . 1 . . . . 12 PHE HD1 . 10282 1 16 . 1 1 12 12 PHE HD2 H 1 6.789 0.030 . 1 . . . . 12 PHE HD2 . 10282 1 17 . 1 1 12 12 PHE HE1 H 1 6.172 0.030 . 1 . . . . 12 PHE HE1 . 10282 1 18 . 1 1 12 12 PHE HE2 H 1 6.172 0.030 . 1 . . . . 12 PHE HE2 . 10282 1 19 . 1 1 12 12 PHE HZ H 1 6.189 0.030 . 1 . . . . 12 PHE HZ . 10282 1 20 . 1 1 12 12 PHE C C 13 174.869 0.300 . 1 . . . . 12 PHE C . 10282 1 21 . 1 1 12 12 PHE CA C 13 58.525 0.300 . 1 . . . . 12 PHE CA . 10282 1 22 . 1 1 12 12 PHE CB C 13 39.955 0.300 . 1 . . . . 12 PHE CB . 10282 1 23 . 1 1 12 12 PHE CD1 C 13 131.507 0.300 . 1 . . . . 12 PHE CD1 . 10282 1 24 . 1 1 12 12 PHE CD2 C 13 131.507 0.300 . 1 . . . . 12 PHE CD2 . 10282 1 25 . 1 1 12 12 PHE CE1 C 13 131.311 0.300 . 1 . . . . 12 PHE CE1 . 10282 1 26 . 1 1 12 12 PHE CE2 C 13 131.311 0.300 . 1 . . . . 12 PHE CE2 . 10282 1 27 . 1 1 12 12 PHE CZ C 13 129.502 0.300 . 1 . . . . 12 PHE CZ . 10282 1 28 . 1 1 12 12 PHE N N 15 123.637 0.300 . 1 . . . . 12 PHE N . 10282 1 29 . 1 1 13 13 THR H H 1 7.543 0.030 . 1 . . . . 13 THR H . 10282 1 30 . 1 1 13 13 THR HA H 1 4.216 0.030 . 1 . . . . 13 THR HA . 10282 1 31 . 1 1 13 13 THR HB H 1 3.802 0.030 . 1 . . . . 13 THR HB . 10282 1 32 . 1 1 13 13 THR HG21 H 1 1.064 0.030 . 1 . . . . 13 THR HG2 . 10282 1 33 . 1 1 13 13 THR HG22 H 1 1.064 0.030 . 1 . . . . 13 THR HG2 . 10282 1 34 . 1 1 13 13 THR HG23 H 1 1.064 0.030 . 1 . . . . 13 THR HG2 . 10282 1 35 . 1 1 13 13 THR C C 13 172.757 0.300 . 1 . . . . 13 THR C . 10282 1 36 . 1 1 13 13 THR CA C 13 60.703 0.300 . 1 . . . . 13 THR CA . 10282 1 37 . 1 1 13 13 THR CB C 13 70.578 0.300 . 1 . . . . 13 THR CB . 10282 1 38 . 1 1 13 13 THR CG2 C 13 21.341 0.300 . 1 . . . . 13 THR CG2 . 10282 1 39 . 1 1 13 13 THR N N 15 122.237 0.300 . 1 . . . . 13 THR N . 10282 1 40 . 1 1 14 14 TRP H H 1 8.427 0.030 . 1 . . . . 14 TRP H . 10282 1 41 . 1 1 14 14 TRP HA H 1 4.195 0.030 . 1 . . . . 14 TRP HA . 10282 1 42 . 1 1 14 14 TRP HB2 H 1 3.060 0.030 . 2 . . . . 14 TRP HB2 . 10282 1 43 . 1 1 14 14 TRP HB3 H 1 2.924 0.030 . 2 . . . . 14 TRP HB3 . 10282 1 44 . 1 1 14 14 TRP HD1 H 1 7.570 0.030 . 1 . . . . 14 TRP HD1 . 10282 1 45 . 1 1 14 14 TRP HE1 H 1 10.632 0.030 . 1 . . . . 14 TRP HE1 . 10282 1 46 . 1 1 14 14 TRP HE3 H 1 7.300 0.030 . 1 . . . . 14 TRP HE3 . 10282 1 47 . 1 1 14 14 TRP HH2 H 1 6.940 0.030 . 1 . . . . 14 TRP HH2 . 10282 1 48 . 1 1 14 14 TRP HZ2 H 1 7.631 0.030 . 1 . . . . 14 TRP HZ2 . 10282 1 49 . 1 1 14 14 TRP HZ3 H 1 7.115 0.030 . 1 . . . . 14 TRP HZ3 . 10282 1 50 . 1 1 14 14 TRP C C 13 177.225 0.300 . 1 . . . . 14 TRP C . 10282 1 51 . 1 1 14 14 TRP CA C 13 57.137 0.300 . 1 . . . . 14 TRP CA . 10282 1 52 . 1 1 14 14 TRP CB C 13 29.919 0.300 . 1 . . . . 14 TRP CB . 10282 1 53 . 1 1 14 14 TRP CD1 C 13 127.352 0.300 . 1 . . . . 14 TRP CD1 . 10282 1 54 . 1 1 14 14 TRP CE3 C 13 119.300 0.300 . 1 . . . . 14 TRP CE3 . 10282 1 55 . 1 1 14 14 TRP CH2 C 13 124.582 0.300 . 1 . . . . 14 TRP CH2 . 10282 1 56 . 1 1 14 14 TRP CZ2 C 13 114.832 0.300 . 1 . . . . 14 TRP CZ2 . 10282 1 57 . 1 1 14 14 TRP CZ3 C 13 122.329 0.300 . 1 . . . . 14 TRP CZ3 . 10282 1 58 . 1 1 14 14 TRP N N 15 125.363 0.300 . 1 . . . . 14 TRP N . 10282 1 59 . 1 1 14 14 TRP NE1 N 15 129.125 0.300 . 1 . . . . 14 TRP NE1 . 10282 1 60 . 1 1 15 15 ARG H H 1 8.790 0.030 . 1 . . . . 15 ARG H . 10282 1 61 . 1 1 15 15 ARG HA H 1 4.436 0.030 . 1 . . . . 15 ARG HA . 10282 1 62 . 1 1 15 15 ARG HB2 H 1 2.046 0.030 . 2 . . . . 15 ARG HB2 . 10282 1 63 . 1 1 15 15 ARG HB3 H 1 2.346 0.030 . 2 . . . . 15 ARG HB3 . 10282 1 64 . 1 1 15 15 ARG HD2 H 1 3.326 0.030 . 2 . . . . 15 ARG HD2 . 10282 1 65 . 1 1 15 15 ARG HG2 H 1 1.847 0.030 . 2 . . . . 15 ARG HG2 . 10282 1 66 . 1 1 15 15 ARG HG3 H 1 1.739 0.030 . 2 . . . . 15 ARG HG3 . 10282 1 67 . 1 1 15 15 ARG C C 13 176.254 0.300 . 1 . . . . 15 ARG C . 10282 1 68 . 1 1 15 15 ARG CA C 13 54.848 0.300 . 1 . . . . 15 ARG CA . 10282 1 69 . 1 1 15 15 ARG CB C 13 30.217 0.300 . 1 . . . . 15 ARG CB . 10282 1 70 . 1 1 15 15 ARG CD C 13 42.514 0.300 . 1 . . . . 15 ARG CD . 10282 1 71 . 1 1 15 15 ARG CG C 13 27.576 0.300 . 1 . . . . 15 ARG CG . 10282 1 72 . 1 1 15 15 ARG N N 15 124.453 0.300 . 1 . . . . 15 ARG N . 10282 1 73 . 1 1 16 16 LYS H H 1 7.990 0.030 . 1 . . . . 16 LYS H . 10282 1 74 . 1 1 16 16 LYS HA H 1 3.949 0.030 . 1 . . . . 16 LYS HA . 10282 1 75 . 1 1 16 16 LYS HB2 H 1 1.976 0.030 . 2 . . . . 16 LYS HB2 . 10282 1 76 . 1 1 16 16 LYS HB3 H 1 1.869 0.030 . 2 . . . . 16 LYS HB3 . 10282 1 77 . 1 1 16 16 LYS HD2 H 1 1.726 0.030 . 2 . . . . 16 LYS HD2 . 10282 1 78 . 1 1 16 16 LYS HE2 H 1 3.011 0.030 . 2 . . . . 16 LYS HE2 . 10282 1 79 . 1 1 16 16 LYS HG2 H 1 1.535 0.030 . 2 . . . . 16 LYS HG2 . 10282 1 80 . 1 1 16 16 LYS HG3 H 1 1.536 0.030 . 2 . . . . 16 LYS HG3 . 10282 1 81 . 1 1 16 16 LYS C C 13 179.133 0.300 . 1 . . . . 16 LYS C . 10282 1 82 . 1 1 16 16 LYS CA C 13 60.206 0.300 . 1 . . . . 16 LYS CA . 10282 1 83 . 1 1 16 16 LYS CB C 13 32.102 0.300 . 1 . . . . 16 LYS CB . 10282 1 84 . 1 1 16 16 LYS CD C 13 29.369 0.300 . 1 . . . . 16 LYS CD . 10282 1 85 . 1 1 16 16 LYS CE C 13 42.164 0.300 . 1 . . . . 16 LYS CE . 10282 1 86 . 1 1 16 16 LYS CG C 13 24.773 0.300 . 1 . . . . 16 LYS CG . 10282 1 87 . 1 1 16 16 LYS N N 15 120.654 0.300 . 1 . . . . 16 LYS N . 10282 1 88 . 1 1 17 17 GLU H H 1 10.775 0.030 . 1 . . . . 17 GLU H . 10282 1 89 . 1 1 17 17 GLU HA H 1 4.126 0.030 . 1 . . . . 17 GLU HA . 10282 1 90 . 1 1 17 17 GLU HB2 H 1 1.881 0.030 . 2 . . . . 17 GLU HB2 . 10282 1 91 . 1 1 17 17 GLU HB3 H 1 2.037 0.030 . 2 . . . . 17 GLU HB3 . 10282 1 92 . 1 1 17 17 GLU HG2 H 1 2.390 0.030 . 2 . . . . 17 GLU HG2 . 10282 1 93 . 1 1 17 17 GLU HG3 H 1 2.608 0.030 . 2 . . . . 17 GLU HG3 . 10282 1 94 . 1 1 17 17 GLU C C 13 179.581 0.300 . 1 . . . . 17 GLU C . 10282 1 95 . 1 1 17 17 GLU CA C 13 60.262 0.300 . 1 . . . . 17 GLU CA . 10282 1 96 . 1 1 17 17 GLU CB C 13 28.944 0.300 . 1 . . . . 17 GLU CB . 10282 1 97 . 1 1 17 17 GLU CG C 13 36.791 0.300 . 1 . . . . 17 GLU CG . 10282 1 98 . 1 1 17 17 GLU N N 15 119.914 0.300 . 1 . . . . 17 GLU N . 10282 1 99 . 1 1 18 18 CYS H H 1 7.314 0.030 . 1 . . . . 18 CYS H . 10282 1 100 . 1 1 18 18 CYS HA H 1 4.166 0.030 . 1 . . . . 18 CYS HA . 10282 1 101 . 1 1 18 18 CYS HB2 H 1 3.399 0.030 . 2 . . . . 18 CYS HB2 . 10282 1 102 . 1 1 18 18 CYS HB3 H 1 3.400 0.030 . 2 . . . . 18 CYS HB3 . 10282 1 103 . 1 1 18 18 CYS C C 13 176.250 0.300 . 1 . . . . 18 CYS C . 10282 1 104 . 1 1 18 18 CYS CA C 13 61.093 0.300 . 1 . . . . 18 CYS CA . 10282 1 105 . 1 1 18 18 CYS CB C 13 27.636 0.300 . 1 . . . . 18 CYS CB . 10282 1 106 . 1 1 18 18 CYS N N 15 115.339 0.300 . 1 . . . . 18 CYS N . 10282 1 107 . 1 1 19 19 LEU H H 1 7.975 0.030 . 1 . . . . 19 LEU H . 10282 1 108 . 1 1 19 19 LEU HA H 1 3.365 0.030 . 1 . . . . 19 LEU HA . 10282 1 109 . 1 1 19 19 LEU HB2 H 1 1.884 0.030 . 2 . . . . 19 LEU HB2 . 10282 1 110 . 1 1 19 19 LEU HB3 H 1 1.462 0.030 . 2 . . . . 19 LEU HB3 . 10282 1 111 . 1 1 19 19 LEU HD11 H 1 0.900 0.030 . 1 . . . . 19 LEU HD1 . 10282 1 112 . 1 1 19 19 LEU HD12 H 1 0.900 0.030 . 1 . . . . 19 LEU HD1 . 10282 1 113 . 1 1 19 19 LEU HD13 H 1 0.900 0.030 . 1 . . . . 19 LEU HD1 . 10282 1 114 . 1 1 19 19 LEU HD21 H 1 0.397 0.030 . 1 . . . . 19 LEU HD2 . 10282 1 115 . 1 1 19 19 LEU HD22 H 1 0.397 0.030 . 1 . . . . 19 LEU HD2 . 10282 1 116 . 1 1 19 19 LEU HD23 H 1 0.397 0.030 . 1 . . . . 19 LEU HD2 . 10282 1 117 . 1 1 19 19 LEU HG H 1 1.599 0.030 . 1 . . . . 19 LEU HG . 10282 1 118 . 1 1 19 19 LEU C C 13 178.119 0.300 . 1 . . . . 19 LEU C . 10282 1 119 . 1 1 19 19 LEU CA C 13 58.084 0.300 . 1 . . . . 19 LEU CA . 10282 1 120 . 1 1 19 19 LEU CB C 13 40.713 0.300 . 1 . . . . 19 LEU CB . 10282 1 121 . 1 1 19 19 LEU CD1 C 13 25.259 0.300 . 2 . . . . 19 LEU CD1 . 10282 1 122 . 1 1 19 19 LEU CD2 C 13 22.644 0.300 . 2 . . . . 19 LEU CD2 . 10282 1 123 . 1 1 19 19 LEU CG C 13 26.754 0.300 . 1 . . . . 19 LEU CG . 10282 1 124 . 1 1 19 19 LEU N N 15 120.346 0.300 . 1 . . . . 19 LEU N . 10282 1 125 . 1 1 20 20 ALA H H 1 7.481 0.030 . 1 . . . . 20 ALA H . 10282 1 126 . 1 1 20 20 ALA HA H 1 4.079 0.030 . 1 . . . . 20 ALA HA . 10282 1 127 . 1 1 20 20 ALA HB1 H 1 1.459 0.030 . 1 . . . . 20 ALA HB . 10282 1 128 . 1 1 20 20 ALA HB2 H 1 1.459 0.030 . 1 . . . . 20 ALA HB . 10282 1 129 . 1 1 20 20 ALA HB3 H 1 1.459 0.030 . 1 . . . . 20 ALA HB . 10282 1 130 . 1 1 20 20 ALA C C 13 180.800 0.300 . 1 . . . . 20 ALA C . 10282 1 131 . 1 1 20 20 ALA CA C 13 55.172 0.300 . 1 . . . . 20 ALA CA . 10282 1 132 . 1 1 20 20 ALA CB C 13 17.975 0.300 . 1 . . . . 20 ALA CB . 10282 1 133 . 1 1 20 20 ALA N N 15 119.101 0.300 . 1 . . . . 20 ALA N . 10282 1 134 . 1 1 21 21 VAL H H 1 6.932 0.030 . 1 . . . . 21 VAL H . 10282 1 135 . 1 1 21 21 VAL HA H 1 3.752 0.030 . 1 . . . . 21 VAL HA . 10282 1 136 . 1 1 21 21 VAL HB H 1 2.497 0.030 . 1 . . . . 21 VAL HB . 10282 1 137 . 1 1 21 21 VAL HG11 H 1 1.116 0.030 . 1 . . . . 21 VAL HG1 . 10282 1 138 . 1 1 21 21 VAL HG12 H 1 1.116 0.030 . 1 . . . . 21 VAL HG1 . 10282 1 139 . 1 1 21 21 VAL HG13 H 1 1.116 0.030 . 1 . . . . 21 VAL HG1 . 10282 1 140 . 1 1 21 21 VAL HG21 H 1 1.174 0.030 . 1 . . . . 21 VAL HG2 . 10282 1 141 . 1 1 21 21 VAL HG22 H 1 1.174 0.030 . 1 . . . . 21 VAL HG2 . 10282 1 142 . 1 1 21 21 VAL HG23 H 1 1.174 0.030 . 1 . . . . 21 VAL HG2 . 10282 1 143 . 1 1 21 21 VAL C C 13 178.850 0.300 . 1 . . . . 21 VAL C . 10282 1 144 . 1 1 21 21 VAL CA C 13 66.018 0.300 . 1 . . . . 21 VAL CA . 10282 1 145 . 1 1 21 21 VAL CB C 13 32.168 0.300 . 1 . . . . 21 VAL CB . 10282 1 146 . 1 1 21 21 VAL CG1 C 13 22.615 0.300 . 2 . . . . 21 VAL CG1 . 10282 1 147 . 1 1 21 21 VAL CG2 C 13 22.644 0.300 . 2 . . . . 21 VAL CG2 . 10282 1 148 . 1 1 21 21 VAL N N 15 118.965 0.300 . 1 . . . . 21 VAL N . 10282 1 149 . 1 1 22 22 MET H H 1 7.925 0.030 . 1 . . . . 22 MET H . 10282 1 150 . 1 1 22 22 MET HA H 1 3.894 0.030 . 1 . . . . 22 MET HA . 10282 1 151 . 1 1 22 22 MET HB2 H 1 0.945 0.030 . 2 . . . . 22 MET HB2 . 10282 1 152 . 1 1 22 22 MET HB3 H 1 0.550 0.030 . 2 . . . . 22 MET HB3 . 10282 1 153 . 1 1 22 22 MET HE1 H 1 0.169 0.030 . 1 . . . . 22 MET HE . 10282 1 154 . 1 1 22 22 MET HE2 H 1 0.169 0.030 . 1 . . . . 22 MET HE . 10282 1 155 . 1 1 22 22 MET HE3 H 1 0.169 0.030 . 1 . . . . 22 MET HE . 10282 1 156 . 1 1 22 22 MET HG2 H 1 1.608 0.030 . 2 . . . . 22 MET HG2 . 10282 1 157 . 1 1 22 22 MET HG3 H 1 1.801 0.030 . 2 . . . . 22 MET HG3 . 10282 1 158 . 1 1 22 22 MET C C 13 177.997 0.300 . 1 . . . . 22 MET C . 10282 1 159 . 1 1 22 22 MET CA C 13 60.060 0.300 . 1 . . . . 22 MET CA . 10282 1 160 . 1 1 22 22 MET CB C 13 30.494 0.300 . 1 . . . . 22 MET CB . 10282 1 161 . 1 1 22 22 MET CE C 13 16.233 0.300 . 1 . . . . 22 MET CE . 10282 1 162 . 1 1 22 22 MET CG C 13 32.532 0.300 . 1 . . . . 22 MET CG . 10282 1 163 . 1 1 22 22 MET N N 15 118.668 0.300 . 1 . . . . 22 MET N . 10282 1 164 . 1 1 23 23 GLU H H 1 8.452 0.030 . 1 . . . . 23 GLU H . 10282 1 165 . 1 1 23 23 GLU HA H 1 4.048 0.030 . 1 . . . . 23 GLU HA . 10282 1 166 . 1 1 23 23 GLU HB2 H 1 2.041 0.030 . 2 . . . . 23 GLU HB2 . 10282 1 167 . 1 1 23 23 GLU HB3 H 1 1.998 0.030 . 2 . . . . 23 GLU HB3 . 10282 1 168 . 1 1 23 23 GLU HG2 H 1 2.345 0.030 . 2 . . . . 23 GLU HG2 . 10282 1 169 . 1 1 23 23 GLU HG3 H 1 2.306 0.030 . 2 . . . . 23 GLU HG3 . 10282 1 170 . 1 1 23 23 GLU C C 13 178.809 0.300 . 1 . . . . 23 GLU C . 10282 1 171 . 1 1 23 23 GLU CA C 13 59.676 0.300 . 1 . . . . 23 GLU CA . 10282 1 172 . 1 1 23 23 GLU CB C 13 29.289 0.300 . 1 . . . . 23 GLU CB . 10282 1 173 . 1 1 23 23 GLU CG C 13 35.832 0.300 . 1 . . . . 23 GLU CG . 10282 1 174 . 1 1 23 23 GLU N N 15 118.239 0.300 . 1 . . . . 23 GLU N . 10282 1 175 . 1 1 24 24 SER H H 1 7.431 0.030 . 1 . . . . 24 SER H . 10282 1 176 . 1 1 24 24 SER HA H 1 4.279 0.030 . 1 . . . . 24 SER HA . 10282 1 177 . 1 1 24 24 SER HB2 H 1 3.984 0.030 . 2 . . . . 24 SER HB2 . 10282 1 178 . 1 1 24 24 SER HB3 H 1 3.950 0.030 . 2 . . . . 24 SER HB3 . 10282 1 179 . 1 1 24 24 SER C C 13 177.916 0.300 . 1 . . . . 24 SER C . 10282 1 180 . 1 1 24 24 SER CA C 13 61.785 0.300 . 1 . . . . 24 SER CA . 10282 1 181 . 1 1 24 24 SER CB C 13 62.616 0.300 . 1 . . . . 24 SER CB . 10282 1 182 . 1 1 24 24 SER N N 15 113.792 0.300 . 1 . . . . 24 SER N . 10282 1 183 . 1 1 25 25 TYR H H 1 7.845 0.030 . 1 . . . . 25 TYR H . 10282 1 184 . 1 1 25 25 TYR HA H 1 4.354 0.030 . 1 . . . . 25 TYR HA . 10282 1 185 . 1 1 25 25 TYR HB2 H 1 3.151 0.030 . 2 . . . . 25 TYR HB2 . 10282 1 186 . 1 1 25 25 TYR HB3 H 1 3.436 0.030 . 2 . . . . 25 TYR HB3 . 10282 1 187 . 1 1 25 25 TYR HD1 H 1 7.369 0.030 . 1 . . . . 25 TYR HD1 . 10282 1 188 . 1 1 25 25 TYR HD2 H 1 7.369 0.030 . 1 . . . . 25 TYR HD2 . 10282 1 189 . 1 1 25 25 TYR HE1 H 1 6.700 0.030 . 1 . . . . 25 TYR HE1 . 10282 1 190 . 1 1 25 25 TYR HE2 H 1 6.700 0.030 . 1 . . . . 25 TYR HE2 . 10282 1 191 . 1 1 25 25 TYR C C 13 178.789 0.300 . 1 . . . . 25 TYR C . 10282 1 192 . 1 1 25 25 TYR CA C 13 63.193 0.300 . 1 . . . . 25 TYR CA . 10282 1 193 . 1 1 25 25 TYR CB C 13 38.706 0.300 . 1 . . . . 25 TYR CB . 10282 1 194 . 1 1 25 25 TYR CD1 C 13 133.852 0.300 . 1 . . . . 25 TYR CD1 . 10282 1 195 . 1 1 25 25 TYR CD2 C 13 133.852 0.300 . 1 . . . . 25 TYR CD2 . 10282 1 196 . 1 1 25 25 TYR CE1 C 13 118.155 0.300 . 1 . . . . 25 TYR CE1 . 10282 1 197 . 1 1 25 25 TYR CE2 C 13 118.155 0.300 . 1 . . . . 25 TYR CE2 . 10282 1 198 . 1 1 25 25 TYR N N 15 120.184 0.300 . 1 . . . . 25 TYR N . 10282 1 199 . 1 1 26 26 PHE H H 1 9.279 0.030 . 1 . . . . 26 PHE H . 10282 1 200 . 1 1 26 26 PHE HA H 1 4.237 0.030 . 1 . . . . 26 PHE HA . 10282 1 201 . 1 1 26 26 PHE HB2 H 1 2.906 0.030 . 2 . . . . 26 PHE HB2 . 10282 1 202 . 1 1 26 26 PHE HB3 H 1 3.163 0.030 . 2 . . . . 26 PHE HB3 . 10282 1 203 . 1 1 26 26 PHE HD1 H 1 6.899 0.030 . 1 . . . . 26 PHE HD1 . 10282 1 204 . 1 1 26 26 PHE HD2 H 1 6.899 0.030 . 1 . . . . 26 PHE HD2 . 10282 1 205 . 1 1 26 26 PHE HE1 H 1 7.119 0.030 . 1 . . . . 26 PHE HE1 . 10282 1 206 . 1 1 26 26 PHE HE2 H 1 7.119 0.030 . 1 . . . . 26 PHE HE2 . 10282 1 207 . 1 1 26 26 PHE HZ H 1 6.762 0.030 . 1 . . . . 26 PHE HZ . 10282 1 208 . 1 1 26 26 PHE C C 13 175.885 0.300 . 1 . . . . 26 PHE C . 10282 1 209 . 1 1 26 26 PHE CA C 13 62.008 0.300 . 1 . . . . 26 PHE CA . 10282 1 210 . 1 1 26 26 PHE CB C 13 39.072 0.300 . 1 . . . . 26 PHE CB . 10282 1 211 . 1 1 26 26 PHE CD1 C 13 132.382 0.300 . 1 . . . . 26 PHE CD1 . 10282 1 212 . 1 1 26 26 PHE CD2 C 13 132.382 0.300 . 1 . . . . 26 PHE CD2 . 10282 1 213 . 1 1 26 26 PHE CE1 C 13 130.774 0.300 . 1 . . . . 26 PHE CE1 . 10282 1 214 . 1 1 26 26 PHE CE2 C 13 130.774 0.300 . 1 . . . . 26 PHE CE2 . 10282 1 215 . 1 1 26 26 PHE CZ C 13 129.468 0.300 . 1 . . . . 26 PHE CZ . 10282 1 216 . 1 1 26 26 PHE N N 15 123.634 0.300 . 1 . . . . 26 PHE N . 10282 1 217 . 1 1 27 27 ASN H H 1 7.807 0.030 . 1 . . . . 27 ASN H . 10282 1 218 . 1 1 27 27 ASN HA H 1 4.409 0.030 . 1 . . . . 27 ASN HA . 10282 1 219 . 1 1 27 27 ASN HB2 H 1 2.874 0.030 . 2 . . . . 27 ASN HB2 . 10282 1 220 . 1 1 27 27 ASN HB3 H 1 2.874 0.030 . 2 . . . . 27 ASN HB3 . 10282 1 221 . 1 1 27 27 ASN HD21 H 1 7.661 0.030 . 2 . . . . 27 ASN HD21 . 10282 1 222 . 1 1 27 27 ASN HD22 H 1 7.018 0.030 . 2 . . . . 27 ASN HD22 . 10282 1 223 . 1 1 27 27 ASN C C 13 176.108 0.300 . 1 . . . . 27 ASN C . 10282 1 224 . 1 1 27 27 ASN CA C 13 55.307 0.300 . 1 . . . . 27 ASN CA . 10282 1 225 . 1 1 27 27 ASN CB C 13 38.810 0.300 . 1 . . . . 27 ASN CB . 10282 1 226 . 1 1 27 27 ASN N N 15 112.896 0.300 . 1 . . . . 27 ASN N . 10282 1 227 . 1 1 27 27 ASN ND2 N 15 113.238 0.300 . 1 . . . . 27 ASN ND2 . 10282 1 228 . 1 1 28 28 GLU H H 1 7.431 0.030 . 1 . . . . 28 GLU H . 10282 1 229 . 1 1 28 28 GLU HA H 1 4.274 0.030 . 1 . . . . 28 GLU HA . 10282 1 230 . 1 1 28 28 GLU HB2 H 1 2.211 0.030 . 2 . . . . 28 GLU HB2 . 10282 1 231 . 1 1 28 28 GLU HB3 H 1 2.147 0.030 . 2 . . . . 28 GLU HB3 . 10282 1 232 . 1 1 28 28 GLU HG2 H 1 2.394 0.030 . 2 . . . . 28 GLU HG2 . 10282 1 233 . 1 1 28 28 GLU HG3 H 1 2.220 0.030 . 2 . . . . 28 GLU HG3 . 10282 1 234 . 1 1 28 28 GLU C C 13 176.880 0.300 . 1 . . . . 28 GLU C . 10282 1 235 . 1 1 28 28 GLU CA C 13 57.875 0.300 . 1 . . . . 28 GLU CA . 10282 1 236 . 1 1 28 28 GLU CB C 13 30.965 0.300 . 1 . . . . 28 GLU CB . 10282 1 237 . 1 1 28 28 GLU CG C 13 36.155 0.300 . 1 . . . . 28 GLU CG . 10282 1 238 . 1 1 28 28 GLU N N 15 117.899 0.300 . 1 . . . . 28 GLU N . 10282 1 239 . 1 1 29 29 ASN H H 1 7.950 0.030 . 1 . . . . 29 ASN H . 10282 1 240 . 1 1 29 29 ASN HA H 1 4.562 0.030 . 1 . . . . 29 ASN HA . 10282 1 241 . 1 1 29 29 ASN HB2 H 1 2.843 0.030 . 2 . . . . 29 ASN HB2 . 10282 1 242 . 1 1 29 29 ASN HB3 H 1 2.986 0.030 . 2 . . . . 29 ASN HB3 . 10282 1 243 . 1 1 29 29 ASN HD21 H 1 7.740 0.030 . 2 . . . . 29 ASN HD21 . 10282 1 244 . 1 1 29 29 ASN HD22 H 1 6.731 0.030 . 2 . . . . 29 ASN HD22 . 10282 1 245 . 1 1 29 29 ASN C C 13 174.036 0.300 . 1 . . . . 29 ASN C . 10282 1 246 . 1 1 29 29 ASN CA C 13 53.654 0.300 . 1 . . . . 29 ASN CA . 10282 1 247 . 1 1 29 29 ASN CB C 13 39.361 0.300 . 1 . . . . 29 ASN CB . 10282 1 248 . 1 1 29 29 ASN N N 15 116.656 0.300 . 1 . . . . 29 ASN N . 10282 1 249 . 1 1 29 29 ASN ND2 N 15 111.253 0.300 . 1 . . . . 29 ASN ND2 . 10282 1 250 . 1 1 30 30 GLN H H 1 8.658 0.030 . 1 . . . . 30 GLN H . 10282 1 251 . 1 1 30 30 GLN HA H 1 3.848 0.030 . 1 . . . . 30 GLN HA . 10282 1 252 . 1 1 30 30 GLN HB2 H 1 1.545 0.030 . 2 . . . . 30 GLN HB2 . 10282 1 253 . 1 1 30 30 GLN HB3 H 1 1.482 0.030 . 2 . . . . 30 GLN HB3 . 10282 1 254 . 1 1 30 30 GLN HE21 H 1 7.330 0.030 . 2 . . . . 30 GLN HE21 . 10282 1 255 . 1 1 30 30 GLN HE22 H 1 6.414 0.030 . 2 . . . . 30 GLN HE22 . 10282 1 256 . 1 1 30 30 GLN HG2 H 1 1.748 0.030 . 2 . . . . 30 GLN HG2 . 10282 1 257 . 1 1 30 30 GLN HG3 H 1 0.914 0.030 . 2 . . . . 30 GLN HG3 . 10282 1 258 . 1 1 30 30 GLN C C 13 174.503 0.300 . 1 . . . . 30 GLN C . 10282 1 259 . 1 1 30 30 GLN CA C 13 57.336 0.300 . 1 . . . . 30 GLN CA . 10282 1 260 . 1 1 30 30 GLN CB C 13 27.978 0.300 . 1 . . . . 30 GLN CB . 10282 1 261 . 1 1 30 30 GLN CG C 13 33.631 0.300 . 1 . . . . 30 GLN CG . 10282 1 262 . 1 1 30 30 GLN N N 15 122.486 0.300 . 1 . . . . 30 GLN N . 10282 1 263 . 1 1 30 30 GLN NE2 N 15 109.949 0.300 . 1 . . . . 30 GLN NE2 . 10282 1 264 . 1 1 31 31 TYR H H 1 8.181 0.030 . 1 . . . . 31 TYR H . 10282 1 265 . 1 1 31 31 TYR HA H 1 4.769 0.030 . 1 . . . . 31 TYR HA . 10282 1 266 . 1 1 31 31 TYR HB2 H 1 2.690 0.030 . 2 . . . . 31 TYR HB2 . 10282 1 267 . 1 1 31 31 TYR HB3 H 1 3.045 0.030 . 2 . . . . 31 TYR HB3 . 10282 1 268 . 1 1 31 31 TYR HD1 H 1 7.053 0.030 . 1 . . . . 31 TYR HD1 . 10282 1 269 . 1 1 31 31 TYR HD2 H 1 7.053 0.030 . 1 . . . . 31 TYR HD2 . 10282 1 270 . 1 1 31 31 TYR HE1 H 1 6.773 0.030 . 1 . . . . 31 TYR HE1 . 10282 1 271 . 1 1 31 31 TYR HE2 H 1 6.773 0.030 . 1 . . . . 31 TYR HE2 . 10282 1 272 . 1 1 31 31 TYR C C 13 172.816 0.300 . 1 . . . . 31 TYR C . 10282 1 273 . 1 1 31 31 TYR CA C 13 55.409 0.300 . 1 . . . . 31 TYR CA . 10282 1 274 . 1 1 31 31 TYR CB C 13 38.938 0.300 . 1 . . . . 31 TYR CB . 10282 1 275 . 1 1 31 31 TYR CD1 C 13 133.582 0.300 . 1 . . . . 31 TYR CD1 . 10282 1 276 . 1 1 31 31 TYR CD2 C 13 133.582 0.300 . 1 . . . . 31 TYR CD2 . 10282 1 277 . 1 1 31 31 TYR CE1 C 13 118.121 0.300 . 1 . . . . 31 TYR CE1 . 10282 1 278 . 1 1 31 31 TYR CE2 C 13 118.121 0.300 . 1 . . . . 31 TYR CE2 . 10282 1 279 . 1 1 31 31 TYR N N 15 116.012 0.300 . 1 . . . . 31 TYR N . 10282 1 280 . 1 1 32 32 PRO HA H 1 4.320 0.030 . 1 . . . . 32 PRO HA . 10282 1 281 . 1 1 32 32 PRO HB2 H 1 1.424 0.030 . 2 . . . . 32 PRO HB2 . 10282 1 282 . 1 1 32 32 PRO HB3 H 1 1.801 0.030 . 2 . . . . 32 PRO HB3 . 10282 1 283 . 1 1 32 32 PRO HD2 H 1 3.039 0.030 . 2 . . . . 32 PRO HD2 . 10282 1 284 . 1 1 32 32 PRO HD3 H 1 3.161 0.030 . 2 . . . . 32 PRO HD3 . 10282 1 285 . 1 1 32 32 PRO HG2 H 1 1.174 0.030 . 2 . . . . 32 PRO HG2 . 10282 1 286 . 1 1 32 32 PRO HG3 H 1 0.138 0.030 . 2 . . . . 32 PRO HG3 . 10282 1 287 . 1 1 32 32 PRO C C 13 177.530 0.300 . 1 . . . . 32 PRO C . 10282 1 288 . 1 1 32 32 PRO CA C 13 63.041 0.300 . 1 . . . . 32 PRO CA . 10282 1 289 . 1 1 32 32 PRO CB C 13 31.052 0.300 . 1 . . . . 32 PRO CB . 10282 1 290 . 1 1 32 32 PRO CD C 13 50.996 0.300 . 1 . . . . 32 PRO CD . 10282 1 291 . 1 1 32 32 PRO CG C 13 25.962 0.300 . 1 . . . . 32 PRO CG . 10282 1 292 . 1 1 33 33 ASP H H 1 8.439 0.030 . 1 . . . . 33 ASP H . 10282 1 293 . 1 1 33 33 ASP HA H 1 4.475 0.030 . 1 . . . . 33 ASP HA . 10282 1 294 . 1 1 33 33 ASP HB2 H 1 2.840 0.030 . 2 . . . . 33 ASP HB2 . 10282 1 295 . 1 1 33 33 ASP HB3 H 1 3.228 0.030 . 2 . . . . 33 ASP HB3 . 10282 1 296 . 1 1 33 33 ASP C C 13 175.397 0.300 . 1 . . . . 33 ASP C . 10282 1 297 . 1 1 33 33 ASP CA C 13 52.562 0.300 . 1 . . . . 33 ASP CA . 10282 1 298 . 1 1 33 33 ASP CB C 13 40.363 0.300 . 1 . . . . 33 ASP CB . 10282 1 299 . 1 1 33 33 ASP N N 15 125.278 0.300 . 1 . . . . 33 ASP N . 10282 1 300 . 1 1 34 34 GLU H H 1 8.644 0.030 . 1 . . . . 34 GLU H . 10282 1 301 . 1 1 34 34 GLU HA H 1 3.613 0.030 . 1 . . . . 34 GLU HA . 10282 1 302 . 1 1 34 34 GLU HB2 H 1 1.994 0.030 . 2 . . . . 34 GLU HB2 . 10282 1 303 . 1 1 34 34 GLU HB3 H 1 2.063 0.030 . 2 . . . . 34 GLU HB3 . 10282 1 304 . 1 1 34 34 GLU HG2 H 1 2.247 0.030 . 2 . . . . 34 GLU HG2 . 10282 1 305 . 1 1 34 34 GLU HG3 H 1 2.335 0.030 . 2 . . . . 34 GLU HG3 . 10282 1 306 . 1 1 34 34 GLU C C 13 178.261 0.300 . 1 . . . . 34 GLU C . 10282 1 307 . 1 1 34 34 GLU CA C 13 61.565 0.300 . 1 . . . . 34 GLU CA . 10282 1 308 . 1 1 34 34 GLU CB C 13 29.289 0.300 . 1 . . . . 34 GLU CB . 10282 1 309 . 1 1 34 34 GLU CG C 13 36.565 0.300 . 1 . . . . 34 GLU CG . 10282 1 310 . 1 1 34 34 GLU N N 15 118.756 0.300 . 1 . . . . 34 GLU N . 10282 1 311 . 1 1 35 35 ALA H H 1 8.121 0.030 . 1 . . . . 35 ALA H . 10282 1 312 . 1 1 35 35 ALA HA H 1 4.155 0.030 . 1 . . . . 35 ALA HA . 10282 1 313 . 1 1 35 35 ALA HB1 H 1 1.451 0.030 . 1 . . . . 35 ALA HB . 10282 1 314 . 1 1 35 35 ALA HB2 H 1 1.451 0.030 . 1 . . . . 35 ALA HB . 10282 1 315 . 1 1 35 35 ALA HB3 H 1 1.451 0.030 . 1 . . . . 35 ALA HB . 10282 1 316 . 1 1 35 35 ALA C C 13 181.307 0.300 . 1 . . . . 35 ALA C . 10282 1 317 . 1 1 35 35 ALA CA C 13 54.953 0.300 . 1 . . . . 35 ALA CA . 10282 1 318 . 1 1 35 35 ALA CB C 13 17.975 0.300 . 1 . . . . 35 ALA CB . 10282 1 319 . 1 1 35 35 ALA N N 15 121.196 0.300 . 1 . . . . 35 ALA N . 10282 1 320 . 1 1 36 36 LYS H H 1 8.448 0.030 . 1 . . . . 36 LYS H . 10282 1 321 . 1 1 36 36 LYS HA H 1 4.157 0.030 . 1 . . . . 36 LYS HA . 10282 1 322 . 1 1 36 36 LYS HB2 H 1 1.872 0.030 . 2 . . . . 36 LYS HB2 . 10282 1 323 . 1 1 36 36 LYS HB3 H 1 1.934 0.030 . 2 . . . . 36 LYS HB3 . 10282 1 324 . 1 1 36 36 LYS HD2 H 1 1.761 0.030 . 2 . . . . 36 LYS HD2 . 10282 1 325 . 1 1 36 36 LYS HD3 H 1 1.815 0.030 . 2 . . . . 36 LYS HD3 . 10282 1 326 . 1 1 36 36 LYS HE2 H 1 2.925 0.030 . 2 . . . . 36 LYS HE2 . 10282 1 327 . 1 1 36 36 LYS HE3 H 1 3.090 0.030 . 2 . . . . 36 LYS HE3 . 10282 1 328 . 1 1 36 36 LYS HG2 H 1 1.295 0.030 . 2 . . . . 36 LYS HG2 . 10282 1 329 . 1 1 36 36 LYS HG3 H 1 1.556 0.030 . 2 . . . . 36 LYS HG3 . 10282 1 330 . 1 1 36 36 LYS C C 13 178.769 0.300 . 1 . . . . 36 LYS C . 10282 1 331 . 1 1 36 36 LYS CA C 13 56.576 0.300 . 1 . . . . 36 LYS CA . 10282 1 332 . 1 1 36 36 LYS CB C 13 29.689 0.300 . 1 . . . . 36 LYS CB . 10282 1 333 . 1 1 36 36 LYS CD C 13 26.929 0.300 . 1 . . . . 36 LYS CD . 10282 1 334 . 1 1 36 36 LYS CE C 13 41.461 0.300 . 1 . . . . 36 LYS CE . 10282 1 335 . 1 1 36 36 LYS CG C 13 23.722 0.300 . 1 . . . . 36 LYS CG . 10282 1 336 . 1 1 36 36 LYS N N 15 121.690 0.300 . 1 . . . . 36 LYS N . 10282 1 337 . 1 1 37 37 ARG H H 1 8.977 0.030 . 1 . . . . 37 ARG H . 10282 1 338 . 1 1 37 37 ARG HA H 1 3.711 0.030 . 1 . . . . 37 ARG HA . 10282 1 339 . 1 1 37 37 ARG HB2 H 1 2.189 0.030 . 2 . . . . 37 ARG HB2 . 10282 1 340 . 1 1 37 37 ARG HB3 H 1 1.623 0.030 . 2 . . . . 37 ARG HB3 . 10282 1 341 . 1 1 37 37 ARG HD2 H 1 3.198 0.030 . 2 . . . . 37 ARG HD2 . 10282 1 342 . 1 1 37 37 ARG HD3 H 1 3.383 0.030 . 2 . . . . 37 ARG HD3 . 10282 1 343 . 1 1 37 37 ARG HG2 H 1 0.752 0.030 . 2 . . . . 37 ARG HG2 . 10282 1 344 . 1 1 37 37 ARG HG3 H 1 2.137 0.030 . 2 . . . . 37 ARG HG3 . 10282 1 345 . 1 1 37 37 ARG C C 13 178.444 0.300 . 1 . . . . 37 ARG C . 10282 1 346 . 1 1 37 37 ARG CA C 13 61.131 0.300 . 1 . . . . 37 ARG CA . 10282 1 347 . 1 1 37 37 ARG CB C 13 30.941 0.300 . 1 . . . . 37 ARG CB . 10282 1 348 . 1 1 37 37 ARG CD C 13 44.403 0.300 . 1 . . . . 37 ARG CD . 10282 1 349 . 1 1 37 37 ARG CG C 13 30.167 0.300 . 1 . . . . 37 ARG CG . 10282 1 350 . 1 1 37 37 ARG N N 15 117.588 0.300 . 1 . . . . 37 ARG N . 10282 1 351 . 1 1 38 38 GLU H H 1 7.750 0.030 . 1 . . . . 38 GLU H . 10282 1 352 . 1 1 38 38 GLU HA H 1 4.083 0.030 . 1 . . . . 38 GLU HA . 10282 1 353 . 1 1 38 38 GLU HB2 H 1 2.173 0.030 . 2 . . . . 38 GLU HB2 . 10282 1 354 . 1 1 38 38 GLU HB3 H 1 2.113 0.030 . 2 . . . . 38 GLU HB3 . 10282 1 355 . 1 1 38 38 GLU HG2 H 1 2.363 0.030 . 2 . . . . 38 GLU HG2 . 10282 1 356 . 1 1 38 38 GLU HG3 H 1 2.419 0.030 . 2 . . . . 38 GLU HG3 . 10282 1 357 . 1 1 38 38 GLU C C 13 178.301 0.300 . 1 . . . . 38 GLU C . 10282 1 358 . 1 1 38 38 GLU CA C 13 59.321 0.300 . 1 . . . . 38 GLU CA . 10282 1 359 . 1 1 38 38 GLU CB C 13 29.013 0.300 . 1 . . . . 38 GLU CB . 10282 1 360 . 1 1 38 38 GLU CG C 13 35.429 0.300 . 1 . . . . 38 GLU CG . 10282 1 361 . 1 1 38 38 GLU N N 15 119.080 0.300 . 1 . . . . 38 GLU N . 10282 1 362 . 1 1 39 39 GLU H H 1 7.540 0.030 . 1 . . . . 39 GLU H . 10282 1 363 . 1 1 39 39 GLU HA H 1 4.048 0.030 . 1 . . . . 39 GLU HA . 10282 1 364 . 1 1 39 39 GLU HB2 H 1 2.318 0.030 . 2 . . . . 39 GLU HB2 . 10282 1 365 . 1 1 39 39 GLU HB3 H 1 2.245 0.030 . 2 . . . . 39 GLU HB3 . 10282 1 366 . 1 1 39 39 GLU HG2 H 1 2.485 0.030 . 2 . . . . 39 GLU HG2 . 10282 1 367 . 1 1 39 39 GLU HG3 H 1 2.061 0.030 . 2 . . . . 39 GLU HG3 . 10282 1 368 . 1 1 39 39 GLU C C 13 179.784 0.300 . 1 . . . . 39 GLU C . 10282 1 369 . 1 1 39 39 GLU CA C 13 59.646 0.300 . 1 . . . . 39 GLU CA . 10282 1 370 . 1 1 39 39 GLU CB C 13 29.409 0.300 . 1 . . . . 39 GLU CB . 10282 1 371 . 1 1 39 39 GLU CG C 13 35.642 0.300 . 1 . . . . 39 GLU CG . 10282 1 372 . 1 1 39 39 GLU N N 15 121.188 0.300 . 1 . . . . 39 GLU N . 10282 1 373 . 1 1 40 40 ILE H H 1 8.634 0.030 . 1 . . . . 40 ILE H . 10282 1 374 . 1 1 40 40 ILE HA H 1 3.133 0.030 . 1 . . . . 40 ILE HA . 10282 1 375 . 1 1 40 40 ILE HB H 1 1.572 0.030 . 1 . . . . 40 ILE HB . 10282 1 376 . 1 1 40 40 ILE HD11 H 1 0.715 0.030 . 1 . . . . 40 ILE HD1 . 10282 1 377 . 1 1 40 40 ILE HD12 H 1 0.715 0.030 . 1 . . . . 40 ILE HD1 . 10282 1 378 . 1 1 40 40 ILE HD13 H 1 0.715 0.030 . 1 . . . . 40 ILE HD1 . 10282 1 379 . 1 1 40 40 ILE HG12 H 1 1.179 0.030 . 2 . . . . 40 ILE HG12 . 10282 1 380 . 1 1 40 40 ILE HG13 H 1 -0.986 0.030 . 2 . . . . 40 ILE HG13 . 10282 1 381 . 1 1 40 40 ILE HG21 H 1 0.341 0.030 . 1 . . . . 40 ILE HG2 . 10282 1 382 . 1 1 40 40 ILE HG22 H 1 0.341 0.030 . 1 . . . . 40 ILE HG2 . 10282 1 383 . 1 1 40 40 ILE HG23 H 1 0.341 0.030 . 1 . . . . 40 ILE HG2 . 10282 1 384 . 1 1 40 40 ILE C C 13 178.119 0.300 . 1 . . . . 40 ILE C . 10282 1 385 . 1 1 40 40 ILE CA C 13 65.462 0.300 . 1 . . . . 40 ILE CA . 10282 1 386 . 1 1 40 40 ILE CB C 13 37.951 0.300 . 1 . . . . 40 ILE CB . 10282 1 387 . 1 1 40 40 ILE CD1 C 13 18.983 0.300 . 1 . . . . 40 ILE CD1 . 10282 1 388 . 1 1 40 40 ILE CG1 C 13 26.349 0.300 . 1 . . . . 40 ILE CG1 . 10282 1 389 . 1 1 40 40 ILE CG2 C 13 14.677 0.300 . 1 . . . . 40 ILE CG2 . 10282 1 390 . 1 1 40 40 ILE N N 15 121.126 0.300 . 1 . . . . 40 ILE N . 10282 1 391 . 1 1 41 41 ALA H H 1 8.462 0.030 . 1 . . . . 41 ALA H . 10282 1 392 . 1 1 41 41 ALA HA H 1 3.713 0.030 . 1 . . . . 41 ALA HA . 10282 1 393 . 1 1 41 41 ALA HB1 H 1 1.236 0.030 . 1 . . . . 41 ALA HB . 10282 1 394 . 1 1 41 41 ALA HB2 H 1 1.236 0.030 . 1 . . . . 41 ALA HB . 10282 1 395 . 1 1 41 41 ALA HB3 H 1 1.236 0.030 . 1 . . . . 41 ALA HB . 10282 1 396 . 1 1 41 41 ALA C C 13 178.850 0.300 . 1 . . . . 41 ALA C . 10282 1 397 . 1 1 41 41 ALA CA C 13 56.014 0.300 . 1 . . . . 41 ALA CA . 10282 1 398 . 1 1 41 41 ALA CB C 13 16.779 0.300 . 1 . . . . 41 ALA CB . 10282 1 399 . 1 1 41 41 ALA N N 15 123.029 0.300 . 1 . . . . 41 ALA N . 10282 1 400 . 1 1 42 42 ASN H H 1 8.264 0.030 . 1 . . . . 42 ASN H . 10282 1 401 . 1 1 42 42 ASN HA H 1 4.521 0.030 . 1 . . . . 42 ASN HA . 10282 1 402 . 1 1 42 42 ASN HB2 H 1 2.977 0.030 . 2 . . . . 42 ASN HB2 . 10282 1 403 . 1 1 42 42 ASN HB3 H 1 2.857 0.030 . 2 . . . . 42 ASN HB3 . 10282 1 404 . 1 1 42 42 ASN HD21 H 1 7.683 0.030 . 2 . . . . 42 ASN HD21 . 10282 1 405 . 1 1 42 42 ASN HD22 H 1 7.104 0.030 . 2 . . . . 42 ASN HD22 . 10282 1 406 . 1 1 42 42 ASN C C 13 178.220 0.300 . 1 . . . . 42 ASN C . 10282 1 407 . 1 1 42 42 ASN CA C 13 56.193 0.300 . 1 . . . . 42 ASN CA . 10282 1 408 . 1 1 42 42 ASN CB C 13 37.775 0.300 . 1 . . . . 42 ASN CB . 10282 1 409 . 1 1 42 42 ASN N N 15 115.462 0.300 . 1 . . . . 42 ASN N . 10282 1 410 . 1 1 42 42 ASN ND2 N 15 113.344 0.300 . 1 . . . . 42 ASN ND2 . 10282 1 411 . 1 1 43 43 ALA H H 1 8.403 0.030 . 1 . . . . 43 ALA H . 10282 1 412 . 1 1 43 43 ALA HA H 1 4.273 0.030 . 1 . . . . 43 ALA HA . 10282 1 413 . 1 1 43 43 ALA HB1 H 1 1.743 0.030 . 1 . . . . 43 ALA HB . 10282 1 414 . 1 1 43 43 ALA HB2 H 1 1.743 0.030 . 1 . . . . 43 ALA HB . 10282 1 415 . 1 1 43 43 ALA HB3 H 1 1.743 0.030 . 1 . . . . 43 ALA HB . 10282 1 416 . 1 1 43 43 ALA C C 13 180.962 0.300 . 1 . . . . 43 ALA C . 10282 1 417 . 1 1 43 43 ALA CA C 13 55.200 0.300 . 1 . . . . 43 ALA CA . 10282 1 418 . 1 1 43 43 ALA CB C 13 18.478 0.300 . 1 . . . . 43 ALA CB . 10282 1 419 . 1 1 43 43 ALA N N 15 125.139 0.300 . 1 . . . . 43 ALA N . 10282 1 420 . 1 1 44 44 CYS H H 1 8.457 0.030 . 1 . . . . 44 CYS H . 10282 1 421 . 1 1 44 44 CYS HA H 1 4.156 0.030 . 1 . . . . 44 CYS HA . 10282 1 422 . 1 1 44 44 CYS HB2 H 1 3.173 0.030 . 2 . . . . 44 CYS HB2 . 10282 1 423 . 1 1 44 44 CYS HB3 H 1 3.397 0.030 . 2 . . . . 44 CYS HB3 . 10282 1 424 . 1 1 44 44 CYS C C 13 176.534 0.300 . 1 . . . . 44 CYS C . 10282 1 425 . 1 1 44 44 CYS CA C 13 64.768 0.300 . 1 . . . . 44 CYS CA . 10282 1 426 . 1 1 44 44 CYS CB C 13 27.644 0.300 . 1 . . . . 44 CYS CB . 10282 1 427 . 1 1 44 44 CYS N N 15 116.609 0.300 . 1 . . . . 44 CYS N . 10282 1 428 . 1 1 45 45 ASN H H 1 8.346 0.030 . 1 . . . . 45 ASN H . 10282 1 429 . 1 1 45 45 ASN HA H 1 4.613 0.030 . 1 . . . . 45 ASN HA . 10282 1 430 . 1 1 45 45 ASN HB2 H 1 2.749 0.030 . 2 . . . . 45 ASN HB2 . 10282 1 431 . 1 1 45 45 ASN HB3 H 1 2.682 0.030 . 2 . . . . 45 ASN HB3 . 10282 1 432 . 1 1 45 45 ASN HD21 H 1 7.460 0.030 . 2 . . . . 45 ASN HD21 . 10282 1 433 . 1 1 45 45 ASN HD22 H 1 7.384 0.030 . 2 . . . . 45 ASN HD22 . 10282 1 434 . 1 1 45 45 ASN C C 13 177.631 0.300 . 1 . . . . 45 ASN C . 10282 1 435 . 1 1 45 45 ASN CA C 13 55.723 0.300 . 1 . . . . 45 ASN CA . 10282 1 436 . 1 1 45 45 ASN CB C 13 37.526 0.300 . 1 . . . . 45 ASN CB . 10282 1 437 . 1 1 45 45 ASN N N 15 117.491 0.300 . 1 . . . . 45 ASN N . 10282 1 438 . 1 1 45 45 ASN ND2 N 15 111.466 0.300 . 1 . . . . 45 ASN ND2 . 10282 1 439 . 1 1 46 46 ALA H H 1 8.014 0.030 . 1 . . . . 46 ALA H . 10282 1 440 . 1 1 46 46 ALA HA H 1 4.200 0.030 . 1 . . . . 46 ALA HA . 10282 1 441 . 1 1 46 46 ALA HB1 H 1 1.548 0.030 . 1 . . . . 46 ALA HB . 10282 1 442 . 1 1 46 46 ALA HB2 H 1 1.548 0.030 . 1 . . . . 46 ALA HB . 10282 1 443 . 1 1 46 46 ALA HB3 H 1 1.548 0.030 . 1 . . . . 46 ALA HB . 10282 1 444 . 1 1 46 46 ALA C C 13 180.292 0.300 . 1 . . . . 46 ALA C . 10282 1 445 . 1 1 46 46 ALA CA C 13 54.805 0.300 . 1 . . . . 46 ALA CA . 10282 1 446 . 1 1 46 46 ALA CB C 13 18.283 0.300 . 1 . . . . 46 ALA CB . 10282 1 447 . 1 1 46 46 ALA N N 15 120.198 0.300 . 1 . . . . 46 ALA N . 10282 1 448 . 1 1 47 47 VAL H H 1 7.240 0.030 . 1 . . . . 47 VAL H . 10282 1 449 . 1 1 47 47 VAL HA H 1 4.306 0.030 . 1 . . . . 47 VAL HA . 10282 1 450 . 1 1 47 47 VAL HB H 1 2.402 0.030 . 1 . . . . 47 VAL HB . 10282 1 451 . 1 1 47 47 VAL HG11 H 1 1.054 0.030 . 1 . . . . 47 VAL HG1 . 10282 1 452 . 1 1 47 47 VAL HG12 H 1 1.054 0.030 . 1 . . . . 47 VAL HG1 . 10282 1 453 . 1 1 47 47 VAL HG13 H 1 1.054 0.030 . 1 . . . . 47 VAL HG1 . 10282 1 454 . 1 1 47 47 VAL HG21 H 1 1.144 0.030 . 1 . . . . 47 VAL HG2 . 10282 1 455 . 1 1 47 47 VAL HG22 H 1 1.144 0.030 . 1 . . . . 47 VAL HG2 . 10282 1 456 . 1 1 47 47 VAL HG23 H 1 1.144 0.030 . 1 . . . . 47 VAL HG2 . 10282 1 457 . 1 1 47 47 VAL C C 13 177.083 0.300 . 1 . . . . 47 VAL C . 10282 1 458 . 1 1 47 47 VAL CA C 13 63.484 0.300 . 1 . . . . 47 VAL CA . 10282 1 459 . 1 1 47 47 VAL CB C 13 31.935 0.300 . 1 . . . . 47 VAL CB . 10282 1 460 . 1 1 47 47 VAL CG1 C 13 21.858 0.300 . 2 . . . . 47 VAL CG1 . 10282 1 461 . 1 1 47 47 VAL CG2 C 13 21.109 0.300 . 2 . . . . 47 VAL CG2 . 10282 1 462 . 1 1 47 47 VAL N N 15 110.165 0.300 . 1 . . . . 47 VAL N . 10282 1 463 . 1 1 48 48 ILE H H 1 7.146 0.030 . 1 . . . . 48 ILE H . 10282 1 464 . 1 1 48 48 ILE HA H 1 4.473 0.030 . 1 . . . . 48 ILE HA . 10282 1 465 . 1 1 48 48 ILE HB H 1 2.045 0.030 . 1 . . . . 48 ILE HB . 10282 1 466 . 1 1 48 48 ILE HD11 H 1 0.953 0.030 . 1 . . . . 48 ILE HD1 . 10282 1 467 . 1 1 48 48 ILE HD12 H 1 0.953 0.030 . 1 . . . . 48 ILE HD1 . 10282 1 468 . 1 1 48 48 ILE HD13 H 1 0.953 0.030 . 1 . . . . 48 ILE HD1 . 10282 1 469 . 1 1 48 48 ILE HG12 H 1 1.450 0.030 . 2 . . . . 48 ILE HG12 . 10282 1 470 . 1 1 48 48 ILE HG13 H 1 1.497 0.030 . 2 . . . . 48 ILE HG13 . 10282 1 471 . 1 1 48 48 ILE HG21 H 1 0.923 0.030 . 1 . . . . 48 ILE HG2 . 10282 1 472 . 1 1 48 48 ILE HG22 H 1 0.923 0.030 . 1 . . . . 48 ILE HG2 . 10282 1 473 . 1 1 48 48 ILE HG23 H 1 0.923 0.030 . 1 . . . . 48 ILE HG2 . 10282 1 474 . 1 1 48 48 ILE C C 13 175.966 0.300 . 1 . . . . 48 ILE C . 10282 1 475 . 1 1 48 48 ILE CA C 13 62.055 0.300 . 1 . . . . 48 ILE CA . 10282 1 476 . 1 1 48 48 ILE CB C 13 39.444 0.300 . 1 . . . . 48 ILE CB . 10282 1 477 . 1 1 48 48 ILE CD1 C 13 14.568 0.300 . 1 . . . . 48 ILE CD1 . 10282 1 478 . 1 1 48 48 ILE CG1 C 13 26.276 0.300 . 1 . . . . 48 ILE CG1 . 10282 1 479 . 1 1 48 48 ILE CG2 C 13 19.713 0.300 . 1 . . . . 48 ILE CG2 . 10282 1 480 . 1 1 48 48 ILE N N 15 112.085 0.300 . 1 . . . . 48 ILE N . 10282 1 481 . 1 1 49 49 GLN H H 1 7.671 0.030 . 1 . . . . 49 GLN H . 10282 1 482 . 1 1 49 49 GLN HA H 1 4.254 0.030 . 1 . . . . 49 GLN HA . 10282 1 483 . 1 1 49 49 GLN HB2 H 1 2.114 0.030 . 2 . . . . 49 GLN HB2 . 10282 1 484 . 1 1 49 49 GLN HB3 H 1 2.072 0.030 . 2 . . . . 49 GLN HB3 . 10282 1 485 . 1 1 49 49 GLN HE21 H 1 7.535 0.030 . 2 . . . . 49 GLN HE21 . 10282 1 486 . 1 1 49 49 GLN HE22 H 1 6.763 0.030 . 2 . . . . 49 GLN HE22 . 10282 1 487 . 1 1 49 49 GLN HG2 H 1 2.435 0.030 . 2 . . . . 49 GLN HG2 . 10282 1 488 . 1 1 49 49 GLN HG3 H 1 2.255 0.030 . 2 . . . . 49 GLN HG3 . 10282 1 489 . 1 1 49 49 GLN C C 13 175.417 0.300 . 1 . . . . 49 GLN C . 10282 1 490 . 1 1 49 49 GLN CA C 13 56.370 0.300 . 1 . . . . 49 GLN CA . 10282 1 491 . 1 1 49 49 GLN CB C 13 29.289 0.300 . 1 . . . . 49 GLN CB . 10282 1 492 . 1 1 49 49 GLN CG C 13 33.921 0.300 . 1 . . . . 49 GLN CG . 10282 1 493 . 1 1 49 49 GLN N N 15 123.076 0.300 . 1 . . . . 49 GLN N . 10282 1 494 . 1 1 49 49 GLN NE2 N 15 112.362 0.300 . 1 . . . . 49 GLN NE2 . 10282 1 495 . 1 1 50 50 LYS H H 1 8.932 0.030 . 1 . . . . 50 LYS H . 10282 1 496 . 1 1 50 50 LYS HA H 1 4.760 0.030 . 1 . . . . 50 LYS HA . 10282 1 497 . 1 1 50 50 LYS HB2 H 1 1.639 0.030 . 2 . . . . 50 LYS HB2 . 10282 1 498 . 1 1 50 50 LYS HB3 H 1 1.837 0.030 . 2 . . . . 50 LYS HB3 . 10282 1 499 . 1 1 50 50 LYS HD2 H 1 1.527 0.030 . 2 . . . . 50 LYS HD2 . 10282 1 500 . 1 1 50 50 LYS HE2 H 1 3.009 0.030 . 2 . . . . 50 LYS HE2 . 10282 1 501 . 1 1 50 50 LYS HG2 H 1 1.457 0.030 . 2 . . . . 50 LYS HG2 . 10282 1 502 . 1 1 50 50 LYS C C 13 174.497 0.300 . 1 . . . . 50 LYS C . 10282 1 503 . 1 1 50 50 LYS CA C 13 53.341 0.300 . 1 . . . . 50 LYS CA . 10282 1 504 . 1 1 50 50 LYS CB C 13 32.860 0.300 . 1 . . . . 50 LYS CB . 10282 1 505 . 1 1 50 50 LYS CE C 13 42.202 0.300 . 1 . . . . 50 LYS CE . 10282 1 506 . 1 1 50 50 LYS N N 15 127.505 0.300 . 1 . . . . 50 LYS N . 10282 1 507 . 1 1 51 51 PRO HA H 1 4.328 0.030 . 1 . . . . 51 PRO HA . 10282 1 508 . 1 1 51 51 PRO HB2 H 1 1.903 0.030 . 2 . . . . 51 PRO HB2 . 10282 1 509 . 1 1 51 51 PRO HB3 H 1 2.297 0.030 . 2 . . . . 51 PRO HB3 . 10282 1 510 . 1 1 51 51 PRO HD2 H 1 3.632 0.030 . 2 . . . . 51 PRO HD2 . 10282 1 511 . 1 1 51 51 PRO HD3 H 1 3.882 0.030 . 2 . . . . 51 PRO HD3 . 10282 1 512 . 1 1 51 51 PRO HG2 H 1 2.027 0.030 . 2 . . . . 51 PRO HG2 . 10282 1 513 . 1 1 51 51 PRO HG3 H 1 2.143 0.030 . 2 . . . . 51 PRO HG3 . 10282 1 514 . 1 1 51 51 PRO CA C 13 64.015 0.300 . 1 . . . . 51 PRO CA . 10282 1 515 . 1 1 51 51 PRO CB C 13 31.590 0.300 . 1 . . . . 51 PRO CB . 10282 1 516 . 1 1 51 51 PRO CD C 13 50.656 0.300 . 1 . . . . 51 PRO CD . 10282 1 517 . 1 1 51 51 PRO CG C 13 27.827 0.300 . 1 . . . . 51 PRO CG . 10282 1 518 . 1 1 52 52 GLY H H 1 8.752 0.030 . 1 . . . . 52 GLY H . 10282 1 519 . 1 1 52 52 GLY HA2 H 1 4.113 0.030 . 2 . . . . 52 GLY HA2 . 10282 1 520 . 1 1 52 52 GLY HA3 H 1 3.728 0.030 . 2 . . . . 52 GLY HA3 . 10282 1 521 . 1 1 52 52 GLY C C 13 173.732 0.300 . 1 . . . . 52 GLY C . 10282 1 522 . 1 1 52 52 GLY CA C 13 45.646 0.300 . 1 . . . . 52 GLY CA . 10282 1 523 . 1 1 53 53 LYS H H 1 7.734 0.030 . 1 . . . . 53 LYS H . 10282 1 524 . 1 1 53 53 LYS HA H 1 4.621 0.030 . 1 . . . . 53 LYS HA . 10282 1 525 . 1 1 53 53 LYS HB2 H 1 1.707 0.030 . 2 . . . . 53 LYS HB2 . 10282 1 526 . 1 1 53 53 LYS HB3 H 1 1.799 0.030 . 2 . . . . 53 LYS HB3 . 10282 1 527 . 1 1 53 53 LYS HD2 H 1 1.650 0.030 . 2 . . . . 53 LYS HD2 . 10282 1 528 . 1 1 53 53 LYS HE2 H 1 2.985 0.030 . 2 . . . . 53 LYS HE2 . 10282 1 529 . 1 1 53 53 LYS HG2 H 1 1.301 0.030 . 2 . . . . 53 LYS HG2 . 10282 1 530 . 1 1 53 53 LYS HG3 H 1 1.362 0.030 . 2 . . . . 53 LYS HG3 . 10282 1 531 . 1 1 53 53 LYS C C 13 175.681 0.300 . 1 . . . . 53 LYS C . 10282 1 532 . 1 1 53 53 LYS CA C 13 54.451 0.300 . 1 . . . . 53 LYS CA . 10282 1 533 . 1 1 53 53 LYS CB C 13 34.466 0.300 . 1 . . . . 53 LYS CB . 10282 1 534 . 1 1 53 53 LYS CD C 13 28.901 0.300 . 1 . . . . 53 LYS CD . 10282 1 535 . 1 1 53 53 LYS CE C 13 42.256 0.300 . 1 . . . . 53 LYS CE . 10282 1 536 . 1 1 53 53 LYS CG C 13 24.547 0.300 . 1 . . . . 53 LYS CG . 10282 1 537 . 1 1 53 53 LYS N N 15 120.205 0.300 . 1 . . . . 53 LYS N . 10282 1 538 . 1 1 54 54 LYS H H 1 8.536 0.030 . 1 . . . . 54 LYS H . 10282 1 539 . 1 1 54 54 LYS HA H 1 4.412 0.030 . 1 . . . . 54 LYS HA . 10282 1 540 . 1 1 54 54 LYS HB2 H 1 1.732 0.030 . 2 . . . . 54 LYS HB2 . 10282 1 541 . 1 1 54 54 LYS HB3 H 1 1.692 0.030 . 2 . . . . 54 LYS HB3 . 10282 1 542 . 1 1 54 54 LYS HD2 H 1 1.661 0.030 . 2 . . . . 54 LYS HD2 . 10282 1 543 . 1 1 54 54 LYS HD3 H 1 1.661 0.030 . 2 . . . . 54 LYS HD3 . 10282 1 544 . 1 1 54 54 LYS HE2 H 1 2.981 0.030 . 2 . . . . 54 LYS HE2 . 10282 1 545 . 1 1 54 54 LYS HG2 H 1 1.410 0.030 . 2 . . . . 54 LYS HG2 . 10282 1 546 . 1 1 54 54 LYS C C 13 177.022 0.300 . 1 . . . . 54 LYS C . 10282 1 547 . 1 1 54 54 LYS CA C 13 55.691 0.300 . 1 . . . . 54 LYS CA . 10282 1 548 . 1 1 54 54 LYS CB C 13 33.453 0.300 . 1 . . . . 54 LYS CB . 10282 1 549 . 1 1 54 54 LYS CD C 13 29.101 0.300 . 1 . . . . 54 LYS CD . 10282 1 550 . 1 1 54 54 LYS CE C 13 42.177 0.300 . 1 . . . . 54 LYS CE . 10282 1 551 . 1 1 54 54 LYS CG C 13 24.715 0.300 . 1 . . . . 54 LYS CG . 10282 1 552 . 1 1 54 54 LYS N N 15 124.424 0.300 . 1 . . . . 54 LYS N . 10282 1 553 . 1 1 55 55 LEU H H 1 8.656 0.030 . 1 . . . . 55 LEU H . 10282 1 554 . 1 1 55 55 LEU HA H 1 4.407 0.030 . 1 . . . . 55 LEU HA . 10282 1 555 . 1 1 55 55 LEU HB2 H 1 1.589 0.030 . 2 . . . . 55 LEU HB2 . 10282 1 556 . 1 1 55 55 LEU HB3 H 1 1.404 0.030 . 2 . . . . 55 LEU HB3 . 10282 1 557 . 1 1 55 55 LEU HD11 H 1 0.898 0.030 . 1 . . . . 55 LEU HD1 . 10282 1 558 . 1 1 55 55 LEU HD12 H 1 0.898 0.030 . 1 . . . . 55 LEU HD1 . 10282 1 559 . 1 1 55 55 LEU HD13 H 1 0.898 0.030 . 1 . . . . 55 LEU HD1 . 10282 1 560 . 1 1 55 55 LEU HD21 H 1 0.812 0.030 . 1 . . . . 55 LEU HD2 . 10282 1 561 . 1 1 55 55 LEU HD22 H 1 0.812 0.030 . 1 . . . . 55 LEU HD2 . 10282 1 562 . 1 1 55 55 LEU HD23 H 1 0.812 0.030 . 1 . . . . 55 LEU HD2 . 10282 1 563 . 1 1 55 55 LEU HG H 1 1.703 0.030 . 1 . . . . 55 LEU HG . 10282 1 564 . 1 1 55 55 LEU C C 13 177.448 0.300 . 1 . . . . 55 LEU C . 10282 1 565 . 1 1 55 55 LEU CA C 13 54.670 0.300 . 1 . . . . 55 LEU CA . 10282 1 566 . 1 1 55 55 LEU CB C 13 43.243 0.300 . 1 . . . . 55 LEU CB . 10282 1 567 . 1 1 55 55 LEU CD1 C 13 25.710 0.300 . 2 . . . . 55 LEU CD1 . 10282 1 568 . 1 1 55 55 LEU CD2 C 13 23.841 0.300 . 2 . . . . 55 LEU CD2 . 10282 1 569 . 1 1 55 55 LEU CG C 13 26.702 0.300 . 1 . . . . 55 LEU CG . 10282 1 570 . 1 1 55 55 LEU N N 15 126.145 0.300 . 1 . . . . 55 LEU N . 10282 1 571 . 1 1 56 56 SER H H 1 9.313 0.030 . 1 . . . . 56 SER H . 10282 1 572 . 1 1 56 56 SER HA H 1 4.496 0.030 . 1 . . . . 56 SER HA . 10282 1 573 . 1 1 56 56 SER HB2 H 1 4.275 0.030 . 2 . . . . 56 SER HB2 . 10282 1 574 . 1 1 56 56 SER HB3 H 1 3.959 0.030 . 2 . . . . 56 SER HB3 . 10282 1 575 . 1 1 56 56 SER C C 13 175.226 0.300 . 1 . . . . 56 SER C . 10282 1 576 . 1 1 56 56 SER CA C 13 57.507 0.300 . 1 . . . . 56 SER CA . 10282 1 577 . 1 1 56 56 SER CB C 13 64.802 0.300 . 1 . . . . 56 SER CB . 10282 1 578 . 1 1 56 56 SER N N 15 121.790 0.300 . 1 . . . . 56 SER N . 10282 1 579 . 1 1 57 57 ASP H H 1 8.929 0.030 . 1 . . . . 57 ASP H . 10282 1 580 . 1 1 57 57 ASP HA H 1 4.314 0.030 . 1 . . . . 57 ASP HA . 10282 1 581 . 1 1 57 57 ASP HB2 H 1 2.620 0.030 . 2 . . . . 57 ASP HB2 . 10282 1 582 . 1 1 57 57 ASP HB3 H 1 2.698 0.030 . 2 . . . . 57 ASP HB3 . 10282 1 583 . 1 1 57 57 ASP C C 13 177.855 0.300 . 1 . . . . 57 ASP C . 10282 1 584 . 1 1 57 57 ASP CA C 13 57.403 0.300 . 1 . . . . 57 ASP CA . 10282 1 585 . 1 1 57 57 ASP CB C 13 40.353 0.300 . 1 . . . . 57 ASP CB . 10282 1 586 . 1 1 58 58 LEU H H 1 7.824 0.030 . 1 . . . . 58 LEU H . 10282 1 587 . 1 1 58 58 LEU HA H 1 4.194 0.030 . 1 . . . . 58 LEU HA . 10282 1 588 . 1 1 58 58 LEU HB2 H 1 1.566 0.030 . 2 . . . . 58 LEU HB2 . 10282 1 589 . 1 1 58 58 LEU HB3 H 1 1.597 0.030 . 2 . . . . 58 LEU HB3 . 10282 1 590 . 1 1 58 58 LEU HD11 H 1 0.896 0.030 . 1 . . . . 58 LEU HD1 . 10282 1 591 . 1 1 58 58 LEU HD12 H 1 0.896 0.030 . 1 . . . . 58 LEU HD1 . 10282 1 592 . 1 1 58 58 LEU HD13 H 1 0.896 0.030 . 1 . . . . 58 LEU HD1 . 10282 1 593 . 1 1 58 58 LEU HD21 H 1 0.831 0.030 . 1 . . . . 58 LEU HD2 . 10282 1 594 . 1 1 58 58 LEU HD22 H 1 0.831 0.030 . 1 . . . . 58 LEU HD2 . 10282 1 595 . 1 1 58 58 LEU HD23 H 1 0.831 0.030 . 1 . . . . 58 LEU HD2 . 10282 1 596 . 1 1 58 58 LEU HG H 1 1.642 0.030 . 1 . . . . 58 LEU HG . 10282 1 597 . 1 1 58 58 LEU C C 13 177.509 0.300 . 1 . . . . 58 LEU C . 10282 1 598 . 1 1 58 58 LEU CA C 13 56.754 0.300 . 1 . . . . 58 LEU CA . 10282 1 599 . 1 1 58 58 LEU CB C 13 42.259 0.300 . 1 . . . . 58 LEU CB . 10282 1 600 . 1 1 58 58 LEU CD1 C 13 24.747 0.300 . 2 . . . . 58 LEU CD1 . 10282 1 601 . 1 1 58 58 LEU CD2 C 13 23.789 0.300 . 2 . . . . 58 LEU CD2 . 10282 1 602 . 1 1 58 58 LEU CG C 13 27.128 0.300 . 1 . . . . 58 LEU CG . 10282 1 603 . 1 1 58 58 LEU N N 15 117.552 0.300 . 1 . . . . 58 LEU N . 10282 1 604 . 1 1 59 59 GLU H H 1 7.325 0.030 . 1 . . . . 59 GLU H . 10282 1 605 . 1 1 59 59 GLU HA H 1 4.286 0.030 . 1 . . . . 59 GLU HA . 10282 1 606 . 1 1 59 59 GLU HB2 H 1 2.079 0.030 . 2 . . . . 59 GLU HB2 . 10282 1 607 . 1 1 59 59 GLU HB3 H 1 1.957 0.030 . 2 . . . . 59 GLU HB3 . 10282 1 608 . 1 1 59 59 GLU HG2 H 1 2.127 0.030 . 2 . . . . 59 GLU HG2 . 10282 1 609 . 1 1 59 59 GLU HG3 H 1 2.287 0.030 . 2 . . . . 59 GLU HG3 . 10282 1 610 . 1 1 59 59 GLU C C 13 175.661 0.300 . 1 . . . . 59 GLU C . 10282 1 611 . 1 1 59 59 GLU CA C 13 56.370 0.300 . 1 . . . . 59 GLU CA . 10282 1 612 . 1 1 59 59 GLU CB C 13 32.314 0.300 . 1 . . . . 59 GLU CB . 10282 1 613 . 1 1 59 59 GLU CG C 13 36.707 0.300 . 1 . . . . 59 GLU CG . 10282 1 614 . 1 1 59 59 GLU N N 15 115.631 0.300 . 1 . . . . 59 GLU N . 10282 1 615 . 1 1 60 60 ARG H H 1 7.408 0.030 . 1 . . . . 60 ARG H . 10282 1 616 . 1 1 60 60 ARG HA H 1 3.948 0.030 . 1 . . . . 60 ARG HA . 10282 1 617 . 1 1 60 60 ARG HB2 H 1 1.694 0.030 . 2 . . . . 60 ARG HB2 . 10282 1 618 . 1 1 60 60 ARG HB3 H 1 1.694 0.030 . 2 . . . . 60 ARG HB3 . 10282 1 619 . 1 1 60 60 ARG HD2 H 1 3.194 0.030 . 2 . . . . 60 ARG HD2 . 10282 1 620 . 1 1 60 60 ARG HD3 H 1 3.174 0.030 . 2 . . . . 60 ARG HD3 . 10282 1 621 . 1 1 60 60 ARG HG2 H 1 1.429 0.030 . 2 . . . . 60 ARG HG2 . 10282 1 622 . 1 1 60 60 ARG HG3 H 1 1.519 0.030 . 2 . . . . 60 ARG HG3 . 10282 1 623 . 1 1 60 60 ARG C C 13 175.194 0.300 . 1 . . . . 60 ARG C . 10282 1 624 . 1 1 60 60 ARG CA C 13 57.167 0.300 . 1 . . . . 60 ARG CA . 10282 1 625 . 1 1 60 60 ARG CB C 13 31.083 0.300 . 1 . . . . 60 ARG CB . 10282 1 626 . 1 1 60 60 ARG CD C 13 43.306 0.300 . 1 . . . . 60 ARG CD . 10282 1 627 . 1 1 60 60 ARG CG C 13 27.827 0.300 . 1 . . . . 60 ARG CG . 10282 1 628 . 1 1 60 60 ARG N N 15 118.018 0.300 . 1 . . . . 60 ARG N . 10282 1 629 . 1 1 61 61 VAL H H 1 10.175 0.030 . 1 . . . . 61 VAL H . 10282 1 630 . 1 1 61 61 VAL HA H 1 3.462 0.030 . 1 . . . . 61 VAL HA . 10282 1 631 . 1 1 61 61 VAL HB H 1 2.149 0.030 . 1 . . . . 61 VAL HB . 10282 1 632 . 1 1 61 61 VAL HG11 H 1 1.247 0.030 . 1 . . . . 61 VAL HG1 . 10282 1 633 . 1 1 61 61 VAL HG12 H 1 1.247 0.030 . 1 . . . . 61 VAL HG1 . 10282 1 634 . 1 1 61 61 VAL HG13 H 1 1.247 0.030 . 1 . . . . 61 VAL HG1 . 10282 1 635 . 1 1 61 61 VAL HG21 H 1 1.181 0.030 . 1 . . . . 61 VAL HG2 . 10282 1 636 . 1 1 61 61 VAL HG22 H 1 1.181 0.030 . 1 . . . . 61 VAL HG2 . 10282 1 637 . 1 1 61 61 VAL HG23 H 1 1.181 0.030 . 1 . . . . 61 VAL HG2 . 10282 1 638 . 1 1 61 61 VAL C C 13 175.681 0.300 . 1 . . . . 61 VAL C . 10282 1 639 . 1 1 61 61 VAL CA C 13 65.077 0.300 . 1 . . . . 61 VAL CA . 10282 1 640 . 1 1 61 61 VAL CB C 13 31.702 0.300 . 1 . . . . 61 VAL CB . 10282 1 641 . 1 1 61 61 VAL CG1 C 13 24.276 0.300 . 2 . . . . 61 VAL CG1 . 10282 1 642 . 1 1 61 61 VAL CG2 C 13 23.203 0.300 . 2 . . . . 61 VAL CG2 . 10282 1 643 . 1 1 61 61 VAL N N 15 128.658 0.300 . 1 . . . . 61 VAL N . 10282 1 644 . 1 1 62 62 THR H H 1 6.270 0.030 . 1 . . . . 62 THR H . 10282 1 645 . 1 1 62 62 THR HA H 1 4.780 0.030 . 1 . . . . 62 THR HA . 10282 1 646 . 1 1 62 62 THR HB H 1 4.684 0.030 . 1 . . . . 62 THR HB . 10282 1 647 . 1 1 62 62 THR HG21 H 1 1.107 0.030 . 1 . . . . 62 THR HG2 . 10282 1 648 . 1 1 62 62 THR HG22 H 1 1.107 0.030 . 1 . . . . 62 THR HG2 . 10282 1 649 . 1 1 62 62 THR HG23 H 1 1.107 0.030 . 1 . . . . 62 THR HG2 . 10282 1 650 . 1 1 62 62 THR C C 13 175.064 0.300 . 1 . . . . 62 THR C . 10282 1 651 . 1 1 62 62 THR CA C 13 58.600 0.300 . 1 . . . . 62 THR CA . 10282 1 652 . 1 1 62 62 THR CB C 13 72.355 0.300 . 1 . . . . 62 THR CB . 10282 1 653 . 1 1 62 62 THR CG2 C 13 21.555 0.300 . 1 . . . . 62 THR CG2 . 10282 1 654 . 1 1 62 62 THR N N 15 114.178 0.300 . 1 . . . . 62 THR N . 10282 1 655 . 1 1 63 63 SER HA H 1 3.869 0.030 . 1 . . . . 63 SER HA . 10282 1 656 . 1 1 63 63 SER HB2 H 1 3.794 0.030 . 2 . . . . 63 SER HB2 . 10282 1 657 . 1 1 63 63 SER HB3 H 1 3.903 0.030 . 2 . . . . 63 SER HB3 . 10282 1 658 . 1 1 63 63 SER C C 13 176.656 0.300 . 1 . . . . 63 SER C . 10282 1 659 . 1 1 63 63 SER CA C 13 61.433 0.300 . 1 . . . . 63 SER CA . 10282 1 660 . 1 1 63 63 SER CB C 13 62.197 0.300 . 1 . . . . 63 SER CB . 10282 1 661 . 1 1 64 64 LEU H H 1 8.062 0.030 . 1 . . . . 64 LEU H . 10282 1 662 . 1 1 64 64 LEU HA H 1 4.367 0.030 . 1 . . . . 64 LEU HA . 10282 1 663 . 1 1 64 64 LEU HB2 H 1 1.661 0.030 . 2 . . . . 64 LEU HB2 . 10282 1 664 . 1 1 64 64 LEU HB3 H 1 1.622 0.030 . 2 . . . . 64 LEU HB3 . 10282 1 665 . 1 1 64 64 LEU HD11 H 1 0.938 0.030 . 1 . . . . 64 LEU HD1 . 10282 1 666 . 1 1 64 64 LEU HD12 H 1 0.938 0.030 . 1 . . . . 64 LEU HD1 . 10282 1 667 . 1 1 64 64 LEU HD13 H 1 0.938 0.030 . 1 . . . . 64 LEU HD1 . 10282 1 668 . 1 1 64 64 LEU HD21 H 1 0.900 0.030 . 1 . . . . 64 LEU HD2 . 10282 1 669 . 1 1 64 64 LEU HD22 H 1 0.900 0.030 . 1 . . . . 64 LEU HD2 . 10282 1 670 . 1 1 64 64 LEU HD23 H 1 0.900 0.030 . 1 . . . . 64 LEU HD2 . 10282 1 671 . 1 1 64 64 LEU HG H 1 1.621 0.030 . 1 . . . . 64 LEU HG . 10282 1 672 . 1 1 64 64 LEU C C 13 178.789 0.300 . 1 . . . . 64 LEU C . 10282 1 673 . 1 1 64 64 LEU CA C 13 57.964 0.300 . 1 . . . . 64 LEU CA . 10282 1 674 . 1 1 64 64 LEU CB C 13 42.052 0.300 . 1 . . . . 64 LEU CB . 10282 1 675 . 1 1 64 64 LEU CD1 C 13 23.486 0.300 . 2 . . . . 64 LEU CD1 . 10282 1 676 . 1 1 64 64 LEU CD2 C 13 25.212 0.300 . 2 . . . . 64 LEU CD2 . 10282 1 677 . 1 1 64 64 LEU CG C 13 27.057 0.300 . 1 . . . . 64 LEU CG . 10282 1 678 . 1 1 64 64 LEU N N 15 123.294 0.300 . 1 . . . . 64 LEU N . 10282 1 679 . 1 1 65 65 LYS H H 1 7.524 0.030 . 1 . . . . 65 LYS H . 10282 1 680 . 1 1 65 65 LYS HA H 1 4.292 0.030 . 1 . . . . 65 LYS HA . 10282 1 681 . 1 1 65 65 LYS HB2 H 1 1.682 0.030 . 2 . . . . 65 LYS HB2 . 10282 1 682 . 1 1 65 65 LYS HB3 H 1 2.004 0.030 . 2 . . . . 65 LYS HB3 . 10282 1 683 . 1 1 65 65 LYS HD2 H 1 1.057 0.030 . 2 . . . . 65 LYS HD2 . 10282 1 684 . 1 1 65 65 LYS HD3 H 1 0.306 0.030 . 2 . . . . 65 LYS HD3 . 10282 1 685 . 1 1 65 65 LYS HE2 H 1 2.285 0.030 . 2 . . . . 65 LYS HE2 . 10282 1 686 . 1 1 65 65 LYS HE3 H 1 2.458 0.030 . 2 . . . . 65 LYS HE3 . 10282 1 687 . 1 1 65 65 LYS HG2 H 1 1.144 0.030 . 2 . . . . 65 LYS HG2 . 10282 1 688 . 1 1 65 65 LYS HG3 H 1 1.266 0.030 . 2 . . . . 65 LYS HG3 . 10282 1 689 . 1 1 65 65 LYS C C 13 180.779 0.300 . 1 . . . . 65 LYS C . 10282 1 690 . 1 1 65 65 LYS CA C 13 60.266 0.300 . 1 . . . . 65 LYS CA . 10282 1 691 . 1 1 65 65 LYS CB C 13 32.808 0.300 . 1 . . . . 65 LYS CB . 10282 1 692 . 1 1 65 65 LYS CD C 13 29.332 0.300 . 1 . . . . 65 LYS CD . 10282 1 693 . 1 1 65 65 LYS CE C 13 42.292 0.300 . 1 . . . . 65 LYS CE . 10282 1 694 . 1 1 65 65 LYS CG C 13 26.086 0.300 . 1 . . . . 65 LYS CG . 10282 1 695 . 1 1 65 65 LYS N N 15 119.262 0.300 . 1 . . . . 65 LYS N . 10282 1 696 . 1 1 66 66 VAL H H 1 8.290 0.030 . 1 . . . . 66 VAL H . 10282 1 697 . 1 1 66 66 VAL HA H 1 4.075 0.030 . 1 . . . . 66 VAL HA . 10282 1 698 . 1 1 66 66 VAL HB H 1 2.438 0.030 . 1 . . . . 66 VAL HB . 10282 1 699 . 1 1 66 66 VAL HG11 H 1 0.938 0.030 . 1 . . . . 66 VAL HG1 . 10282 1 700 . 1 1 66 66 VAL HG12 H 1 0.938 0.030 . 1 . . . . 66 VAL HG1 . 10282 1 701 . 1 1 66 66 VAL HG13 H 1 0.938 0.030 . 1 . . . . 66 VAL HG1 . 10282 1 702 . 1 1 66 66 VAL HG21 H 1 1.182 0.030 . 1 . . . . 66 VAL HG2 . 10282 1 703 . 1 1 66 66 VAL HG22 H 1 1.182 0.030 . 1 . . . . 66 VAL HG2 . 10282 1 704 . 1 1 66 66 VAL HG23 H 1 1.182 0.030 . 1 . . . . 66 VAL HG2 . 10282 1 705 . 1 1 66 66 VAL C C 13 177.509 0.300 . 1 . . . . 66 VAL C . 10282 1 706 . 1 1 66 66 VAL CA C 13 66.963 0.300 . 1 . . . . 66 VAL CA . 10282 1 707 . 1 1 66 66 VAL CB C 13 32.419 0.300 . 1 . . . . 66 VAL CB . 10282 1 708 . 1 1 66 66 VAL CG1 C 13 22.558 0.300 . 2 . . . . 66 VAL CG1 . 10282 1 709 . 1 1 66 66 VAL CG2 C 13 22.701 0.300 . 2 . . . . 66 VAL CG2 . 10282 1 710 . 1 1 66 66 VAL N N 15 119.900 0.300 . 1 . . . . 66 VAL N . 10282 1 711 . 1 1 67 67 TYR H H 1 8.893 0.030 . 1 . . . . 67 TYR H . 10282 1 712 . 1 1 67 67 TYR HA H 1 3.857 0.030 . 1 . . . . 67 TYR HA . 10282 1 713 . 1 1 67 67 TYR HB2 H 1 3.056 0.030 . 2 . . . . 67 TYR HB2 . 10282 1 714 . 1 1 67 67 TYR HB3 H 1 3.631 0.030 . 2 . . . . 67 TYR HB3 . 10282 1 715 . 1 1 67 67 TYR HD1 H 1 7.039 0.030 . 1 . . . . 67 TYR HD1 . 10282 1 716 . 1 1 67 67 TYR HD2 H 1 7.039 0.030 . 1 . . . . 67 TYR HD2 . 10282 1 717 . 1 1 67 67 TYR HE1 H 1 6.902 0.030 . 1 . . . . 67 TYR HE1 . 10282 1 718 . 1 1 67 67 TYR HE2 H 1 6.902 0.030 . 1 . . . . 67 TYR HE2 . 10282 1 719 . 1 1 67 67 TYR C C 13 177.956 0.300 . 1 . . . . 67 TYR C . 10282 1 720 . 1 1 67 67 TYR CA C 13 62.897 0.300 . 1 . . . . 67 TYR CA . 10282 1 721 . 1 1 67 67 TYR CB C 13 38.326 0.300 . 1 . . . . 67 TYR CB . 10282 1 722 . 1 1 67 67 TYR CD1 C 13 133.127 0.300 . 1 . . . . 67 TYR CD1 . 10282 1 723 . 1 1 67 67 TYR CD2 C 13 133.127 0.300 . 1 . . . . 67 TYR CD2 . 10282 1 724 . 1 1 67 67 TYR CE1 C 13 118.604 0.300 . 1 . . . . 67 TYR CE1 . 10282 1 725 . 1 1 67 67 TYR CE2 C 13 118.604 0.300 . 1 . . . . 67 TYR CE2 . 10282 1 726 . 1 1 67 67 TYR N N 15 120.861 0.300 . 1 . . . . 67 TYR N . 10282 1 727 . 1 1 68 68 ASN H H 1 8.561 0.030 . 1 . . . . 68 ASN H . 10282 1 728 . 1 1 68 68 ASN HA H 1 4.545 0.030 . 1 . . . . 68 ASN HA . 10282 1 729 . 1 1 68 68 ASN HB2 H 1 3.045 0.030 . 2 . . . . 68 ASN HB2 . 10282 1 730 . 1 1 68 68 ASN HB3 H 1 3.175 0.030 . 2 . . . . 68 ASN HB3 . 10282 1 731 . 1 1 68 68 ASN HD21 H 1 7.819 0.030 . 2 . . . . 68 ASN HD21 . 10282 1 732 . 1 1 68 68 ASN HD22 H 1 6.989 0.030 . 2 . . . . 68 ASN HD22 . 10282 1 733 . 1 1 68 68 ASN C C 13 177.570 0.300 . 1 . . . . 68 ASN C . 10282 1 734 . 1 1 68 68 ASN CA C 13 56.222 0.300 . 1 . . . . 68 ASN CA . 10282 1 735 . 1 1 68 68 ASN CB C 13 38.465 0.300 . 1 . . . . 68 ASN CB . 10282 1 736 . 1 1 68 68 ASN N N 15 117.386 0.300 . 1 . . . . 68 ASN N . 10282 1 737 . 1 1 68 68 ASN ND2 N 15 112.278 0.300 . 1 . . . . 68 ASN ND2 . 10282 1 738 . 1 1 69 69 TRP H H 1 8.655 0.030 . 1 . . . . 69 TRP H . 10282 1 739 . 1 1 69 69 TRP HA H 1 4.151 0.030 . 1 . . . . 69 TRP HA . 10282 1 740 . 1 1 69 69 TRP HB2 H 1 3.337 0.030 . 2 . . . . 69 TRP HB2 . 10282 1 741 . 1 1 69 69 TRP HB3 H 1 3.430 0.030 . 2 . . . . 69 TRP HB3 . 10282 1 742 . 1 1 69 69 TRP HD1 H 1 6.287 0.030 . 1 . . . . 69 TRP HD1 . 10282 1 743 . 1 1 69 69 TRP HE1 H 1 9.118 0.030 . 1 . . . . 69 TRP HE1 . 10282 1 744 . 1 1 69 69 TRP HE3 H 1 6.912 0.030 . 1 . . . . 69 TRP HE3 . 10282 1 745 . 1 1 69 69 TRP HH2 H 1 6.320 0.030 . 1 . . . . 69 TRP HH2 . 10282 1 746 . 1 1 69 69 TRP HZ2 H 1 7.002 0.030 . 1 . . . . 69 TRP HZ2 . 10282 1 747 . 1 1 69 69 TRP HZ3 H 1 5.596 0.030 . 1 . . . . 69 TRP HZ3 . 10282 1 748 . 1 1 69 69 TRP C C 13 179.764 0.300 . 1 . . . . 69 TRP C . 10282 1 749 . 1 1 69 69 TRP CA C 13 63.194 0.300 . 1 . . . . 69 TRP CA . 10282 1 750 . 1 1 69 69 TRP CB C 13 29.720 0.300 . 1 . . . . 69 TRP CB . 10282 1 751 . 1 1 69 69 TRP CD1 C 13 126.672 0.300 . 1 . . . . 69 TRP CD1 . 10282 1 752 . 1 1 69 69 TRP CE3 C 13 121.923 0.300 . 1 . . . . 69 TRP CE3 . 10282 1 753 . 1 1 69 69 TRP CH2 C 13 122.920 0.300 . 1 . . . . 69 TRP CH2 . 10282 1 754 . 1 1 69 69 TRP CZ2 C 13 113.613 0.300 . 1 . . . . 69 TRP CZ2 . 10282 1 755 . 1 1 69 69 TRP CZ3 C 13 120.039 0.300 . 1 . . . . 69 TRP CZ3 . 10282 1 756 . 1 1 69 69 TRP N N 15 123.454 0.300 . 1 . . . . 69 TRP N . 10282 1 757 . 1 1 69 69 TRP NE1 N 15 128.961 0.300 . 1 . . . . 69 TRP NE1 . 10282 1 758 . 1 1 70 70 PHE H H 1 9.166 0.030 . 1 . . . . 70 PHE H . 10282 1 759 . 1 1 70 70 PHE HA H 1 3.745 0.030 . 1 . . . . 70 PHE HA . 10282 1 760 . 1 1 70 70 PHE HB2 H 1 2.888 0.030 . 2 . . . . 70 PHE HB2 . 10282 1 761 . 1 1 70 70 PHE HB3 H 1 3.409 0.030 . 2 . . . . 70 PHE HB3 . 10282 1 762 . 1 1 70 70 PHE HD1 H 1 7.831 0.030 . 1 . . . . 70 PHE HD1 . 10282 1 763 . 1 1 70 70 PHE HD2 H 1 7.831 0.030 . 1 . . . . 70 PHE HD2 . 10282 1 764 . 1 1 70 70 PHE HE1 H 1 7.580 0.030 . 1 . . . . 70 PHE HE1 . 10282 1 765 . 1 1 70 70 PHE HE2 H 1 7.580 0.030 . 1 . . . . 70 PHE HE2 . 10282 1 766 . 1 1 70 70 PHE HZ H 1 7.400 0.030 . 1 . . . . 70 PHE HZ . 10282 1 767 . 1 1 70 70 PHE C C 13 177.469 0.300 . 1 . . . . 70 PHE C . 10282 1 768 . 1 1 70 70 PHE CA C 13 62.862 0.300 . 1 . . . . 70 PHE CA . 10282 1 769 . 1 1 70 70 PHE CB C 13 39.115 0.300 . 1 . . . . 70 PHE CB . 10282 1 770 . 1 1 70 70 PHE CD1 C 13 132.675 0.300 . 1 . . . . 70 PHE CD1 . 10282 1 771 . 1 1 70 70 PHE CD2 C 13 132.675 0.300 . 1 . . . . 70 PHE CD2 . 10282 1 772 . 1 1 70 70 PHE CE1 C 13 131.748 0.300 . 1 . . . . 70 PHE CE1 . 10282 1 773 . 1 1 70 70 PHE CE2 C 13 131.748 0.300 . 1 . . . . 70 PHE CE2 . 10282 1 774 . 1 1 70 70 PHE CZ C 13 130.055 0.300 . 1 . . . . 70 PHE CZ . 10282 1 775 . 1 1 70 70 PHE N N 15 120.259 0.300 . 1 . . . . 70 PHE N . 10282 1 776 . 1 1 71 71 ALA H H 1 8.169 0.030 . 1 . . . . 71 ALA H . 10282 1 777 . 1 1 71 71 ALA HA H 1 3.868 0.030 . 1 . . . . 71 ALA HA . 10282 1 778 . 1 1 71 71 ALA HB1 H 1 1.287 0.030 . 1 . . . . 71 ALA HB . 10282 1 779 . 1 1 71 71 ALA HB2 H 1 1.287 0.030 . 1 . . . . 71 ALA HB . 10282 1 780 . 1 1 71 71 ALA HB3 H 1 1.287 0.030 . 1 . . . . 71 ALA HB . 10282 1 781 . 1 1 71 71 ALA C C 13 180.698 0.300 . 1 . . . . 71 ALA C . 10282 1 782 . 1 1 71 71 ALA CA C 13 55.307 0.300 . 1 . . . . 71 ALA CA . 10282 1 783 . 1 1 71 71 ALA CB C 13 17.697 0.300 . 1 . . . . 71 ALA CB . 10282 1 784 . 1 1 71 71 ALA N N 15 120.051 0.300 . 1 . . . . 71 ALA N . 10282 1 785 . 1 1 72 72 ASN H H 1 7.789 0.030 . 1 . . . . 72 ASN H . 10282 1 786 . 1 1 72 72 ASN HA H 1 4.280 0.030 . 1 . . . . 72 ASN HA . 10282 1 787 . 1 1 72 72 ASN HB2 H 1 2.558 0.030 . 2 . . . . 72 ASN HB2 . 10282 1 788 . 1 1 72 72 ASN HB3 H 1 2.634 0.030 . 2 . . . . 72 ASN HB3 . 10282 1 789 . 1 1 72 72 ASN HD21 H 1 7.517 0.030 . 2 . . . . 72 ASN HD21 . 10282 1 790 . 1 1 72 72 ASN HD22 H 1 6.867 0.030 . 2 . . . . 72 ASN HD22 . 10282 1 791 . 1 1 72 72 ASN C C 13 177.022 0.300 . 1 . . . . 72 ASN C . 10282 1 792 . 1 1 72 72 ASN CA C 13 56.222 0.300 . 1 . . . . 72 ASN CA . 10282 1 793 . 1 1 72 72 ASN CB C 13 38.363 0.300 . 1 . . . . 72 ASN CB . 10282 1 794 . 1 1 72 72 ASN N N 15 116.515 0.300 . 1 . . . . 72 ASN N . 10282 1 795 . 1 1 72 72 ASN ND2 N 15 114.221 0.300 . 1 . . . . 72 ASN ND2 . 10282 1 796 . 1 1 73 73 ARG H H 1 7.999 0.030 . 1 . . . . 73 ARG H . 10282 1 797 . 1 1 73 73 ARG HA H 1 3.416 0.030 . 1 . . . . 73 ARG HA . 10282 1 798 . 1 1 73 73 ARG HB2 H 1 -0.162 0.030 . 2 . . . . 73 ARG HB2 . 10282 1 799 . 1 1 73 73 ARG HB3 H 1 0.776 0.030 . 2 . . . . 73 ARG HB3 . 10282 1 800 . 1 1 73 73 ARG HD2 H 1 2.295 0.030 . 2 . . . . 73 ARG HD2 . 10282 1 801 . 1 1 73 73 ARG HD3 H 1 1.622 0.030 . 2 . . . . 73 ARG HD3 . 10282 1 802 . 1 1 73 73 ARG HE H 1 7.329 0.030 . 1 . . . . 73 ARG HE . 10282 1 803 . 1 1 73 73 ARG HG2 H 1 -0.345 0.030 . 2 . . . . 73 ARG HG2 . 10282 1 804 . 1 1 73 73 ARG HG3 H 1 0.012 0.030 . 2 . . . . 73 ARG HG3 . 10282 1 805 . 1 1 73 73 ARG C C 13 178.708 0.300 . 1 . . . . 73 ARG C . 10282 1 806 . 1 1 73 73 ARG CA C 13 57.403 0.300 . 1 . . . . 73 ARG CA . 10282 1 807 . 1 1 73 73 ARG CB C 13 28.264 0.300 . 1 . . . . 73 ARG CB . 10282 1 808 . 1 1 73 73 ARG CD C 13 41.326 0.300 . 1 . . . . 73 ARG CD . 10282 1 809 . 1 1 73 73 ARG CG C 13 25.179 0.300 . 1 . . . . 73 ARG CG . 10282 1 810 . 1 1 73 73 ARG N N 15 123.203 0.300 . 1 . . . . 73 ARG N . 10282 1 811 . 1 1 73 73 ARG NE N 15 85.200 0.300 . 1 . . . . 73 ARG NE . 10282 1 812 . 1 1 74 74 ARG H H 1 8.033 0.030 . 1 . . . . 74 ARG H . 10282 1 813 . 1 1 74 74 ARG HA H 1 4.017 0.030 . 1 . . . . 74 ARG HA . 10282 1 814 . 1 1 74 74 ARG HB2 H 1 1.746 0.030 . 2 . . . . 74 ARG HB2 . 10282 1 815 . 1 1 74 74 ARG HB3 H 1 2.047 0.030 . 2 . . . . 74 ARG HB3 . 10282 1 816 . 1 1 74 74 ARG HD2 H 1 2.648 0.030 . 2 . . . . 74 ARG HD2 . 10282 1 817 . 1 1 74 74 ARG HD3 H 1 2.795 0.030 . 2 . . . . 74 ARG HD3 . 10282 1 818 . 1 1 74 74 ARG HG2 H 1 2.298 0.030 . 2 . . . . 74 ARG HG2 . 10282 1 819 . 1 1 74 74 ARG HG3 H 1 1.532 0.030 . 2 . . . . 74 ARG HG3 . 10282 1 820 . 1 1 74 74 ARG C C 13 178.850 0.300 . 1 . . . . 74 ARG C . 10282 1 821 . 1 1 74 74 ARG CA C 13 60.414 0.300 . 1 . . . . 74 ARG CA . 10282 1 822 . 1 1 74 74 ARG CB C 13 31.221 0.300 . 1 . . . . 74 ARG CB . 10282 1 823 . 1 1 74 74 ARG CD C 13 43.660 0.300 . 1 . . . . 74 ARG CD . 10282 1 824 . 1 1 74 74 ARG CG C 13 28.640 0.300 . 1 . . . . 74 ARG CG . 10282 1 825 . 1 1 74 74 ARG N N 15 116.187 0.300 . 1 . . . . 74 ARG N . 10282 1 826 . 1 1 75 75 LYS H H 1 7.359 0.030 . 1 . . . . 75 LYS H . 10282 1 827 . 1 1 75 75 LYS HA H 1 4.054 0.030 . 1 . . . . 75 LYS HA . 10282 1 828 . 1 1 75 75 LYS HB2 H 1 1.910 0.030 . 2 . . . . 75 LYS HB2 . 10282 1 829 . 1 1 75 75 LYS HD2 H 1 1.690 0.030 . 2 . . . . 75 LYS HD2 . 10282 1 830 . 1 1 75 75 LYS HD3 H 1 1.690 0.030 . 2 . . . . 75 LYS HD3 . 10282 1 831 . 1 1 75 75 LYS HE2 H 1 2.984 0.030 . 2 . . . . 75 LYS HE2 . 10282 1 832 . 1 1 75 75 LYS HG2 H 1 1.415 0.030 . 2 . . . . 75 LYS HG2 . 10282 1 833 . 1 1 75 75 LYS HG3 H 1 1.621 0.030 . 2 . . . . 75 LYS HG3 . 10282 1 834 . 1 1 75 75 LYS C C 13 178.301 0.300 . 1 . . . . 75 LYS C . 10282 1 835 . 1 1 75 75 LYS CA C 13 58.908 0.300 . 1 . . . . 75 LYS CA . 10282 1 836 . 1 1 75 75 LYS CB C 13 32.463 0.300 . 1 . . . . 75 LYS CB . 10282 1 837 . 1 1 75 75 LYS CD C 13 29.540 0.300 . 1 . . . . 75 LYS CD . 10282 1 838 . 1 1 75 75 LYS CE C 13 42.170 0.300 . 1 . . . . 75 LYS CE . 10282 1 839 . 1 1 75 75 LYS CG C 13 25.182 0.300 . 1 . . . . 75 LYS CG . 10282 1 840 . 1 1 75 75 LYS N N 15 118.329 0.300 . 1 . . . . 75 LYS N . 10282 1 841 . 1 1 76 76 GLU H H 1 7.769 0.030 . 1 . . . . 76 GLU H . 10282 1 842 . 1 1 76 76 GLU HA H 1 4.051 0.030 . 1 . . . . 76 GLU HA . 10282 1 843 . 1 1 76 76 GLU HB2 H 1 1.953 0.030 . 2 . . . . 76 GLU HB2 . 10282 1 844 . 1 1 76 76 GLU HB3 H 1 1.915 0.030 . 2 . . . . 76 GLU HB3 . 10282 1 845 . 1 1 76 76 GLU HG2 H 1 2.106 0.030 . 2 . . . . 76 GLU HG2 . 10282 1 846 . 1 1 76 76 GLU HG3 H 1 2.232 0.030 . 2 . . . . 76 GLU HG3 . 10282 1 847 . 1 1 76 76 GLU C C 13 178.261 0.300 . 1 . . . . 76 GLU C . 10282 1 848 . 1 1 76 76 GLU CA C 13 58.200 0.300 . 1 . . . . 76 GLU CA . 10282 1 849 . 1 1 76 76 GLU CB C 13 29.841 0.300 . 1 . . . . 76 GLU CB . 10282 1 850 . 1 1 76 76 GLU CG C 13 35.926 0.300 . 1 . . . . 76 GLU CG . 10282 1 851 . 1 1 76 76 GLU N N 15 119.947 0.300 . 1 . . . . 76 GLU N . 10282 1 852 . 1 1 77 77 ILE H H 1 7.826 0.030 . 1 . . . . 77 ILE H . 10282 1 853 . 1 1 77 77 ILE HA H 1 3.856 0.030 . 1 . . . . 77 ILE HA . 10282 1 854 . 1 1 77 77 ILE HB H 1 1.941 0.030 . 1 . . . . 77 ILE HB . 10282 1 855 . 1 1 77 77 ILE HD11 H 1 0.919 0.030 . 1 . . . . 77 ILE HD1 . 10282 1 856 . 1 1 77 77 ILE HD12 H 1 0.919 0.030 . 1 . . . . 77 ILE HD1 . 10282 1 857 . 1 1 77 77 ILE HD13 H 1 0.919 0.030 . 1 . . . . 77 ILE HD1 . 10282 1 858 . 1 1 77 77 ILE HG12 H 1 1.274 0.030 . 2 . . . . 77 ILE HG12 . 10282 1 859 . 1 1 77 77 ILE HG13 H 1 1.570 0.030 . 2 . . . . 77 ILE HG13 . 10282 1 860 . 1 1 77 77 ILE HG21 H 1 0.949 0.030 . 1 . . . . 77 ILE HG2 . 10282 1 861 . 1 1 77 77 ILE HG22 H 1 0.949 0.030 . 1 . . . . 77 ILE HG2 . 10282 1 862 . 1 1 77 77 ILE HG23 H 1 0.949 0.030 . 1 . . . . 77 ILE HG2 . 10282 1 863 . 1 1 77 77 ILE C C 13 177.794 0.300 . 1 . . . . 77 ILE C . 10282 1 864 . 1 1 77 77 ILE CA C 13 63.454 0.300 . 1 . . . . 77 ILE CA . 10282 1 865 . 1 1 77 77 ILE CB C 13 38.016 0.300 . 1 . . . . 77 ILE CB . 10282 1 866 . 1 1 77 77 ILE CD1 C 13 13.447 0.300 . 1 . . . . 77 ILE CD1 . 10282 1 867 . 1 1 77 77 ILE CG1 C 13 28.289 0.300 . 1 . . . . 77 ILE CG1 . 10282 1 868 . 1 1 77 77 ILE CG2 C 13 17.454 0.300 . 1 . . . . 77 ILE CG2 . 10282 1 869 . 1 1 77 77 ILE N N 15 119.278 0.300 . 1 . . . . 77 ILE N . 10282 1 870 . 1 1 78 78 LYS H H 1 7.802 0.030 . 1 . . . . 78 LYS H . 10282 1 871 . 1 1 78 78 LYS HA H 1 4.196 0.030 . 1 . . . . 78 LYS HA . 10282 1 872 . 1 1 78 78 LYS HB2 H 1 1.892 0.030 . 2 . . . . 78 LYS HB2 . 10282 1 873 . 1 1 78 78 LYS HB3 H 1 1.860 0.030 . 2 . . . . 78 LYS HB3 . 10282 1 874 . 1 1 78 78 LYS HD2 H 1 1.702 0.030 . 2 . . . . 78 LYS HD2 . 10282 1 875 . 1 1 78 78 LYS HE2 H 1 2.990 0.030 . 2 . . . . 78 LYS HE2 . 10282 1 876 . 1 1 78 78 LYS HG2 H 1 1.535 0.030 . 2 . . . . 78 LYS HG2 . 10282 1 877 . 1 1 78 78 LYS HG3 H 1 1.449 0.030 . 2 . . . . 78 LYS HG3 . 10282 1 878 . 1 1 78 78 LYS C C 13 177.591 0.300 . 1 . . . . 78 LYS C . 10282 1 879 . 1 1 78 78 LYS CA C 13 57.728 0.300 . 1 . . . . 78 LYS CA . 10282 1 880 . 1 1 78 78 LYS CB C 13 32.601 0.300 . 1 . . . . 78 LYS CB . 10282 1 881 . 1 1 78 78 LYS CD C 13 29.043 0.300 . 1 . . . . 78 LYS CD . 10282 1 882 . 1 1 78 78 LYS CE C 13 42.241 0.300 . 1 . . . . 78 LYS CE . 10282 1 883 . 1 1 78 78 LYS CG C 13 24.928 0.300 . 1 . . . . 78 LYS CG . 10282 1 884 . 1 1 78 78 LYS N N 15 122.041 0.300 . 1 . . . . 78 LYS N . 10282 1 885 . 1 1 79 79 ARG H H 1 8.053 0.030 . 1 . . . . 79 ARG H . 10282 1 886 . 1 1 79 79 ARG HA H 1 4.196 0.030 . 1 . . . . 79 ARG HA . 10282 1 887 . 1 1 79 79 ARG HB2 H 1 1.887 0.030 . 2 . . . . 79 ARG HB2 . 10282 1 888 . 1 1 79 79 ARG HB3 H 1 1.821 0.030 . 2 . . . . 79 ARG HB3 . 10282 1 889 . 1 1 79 79 ARG HD2 H 1 3.181 0.030 . 2 . . . . 79 ARG HD2 . 10282 1 890 . 1 1 79 79 ARG HG2 H 1 1.634 0.030 . 2 . . . . 79 ARG HG2 . 10282 1 891 . 1 1 79 79 ARG C C 13 177.448 0.300 . 1 . . . . 79 ARG C . 10282 1 892 . 1 1 79 79 ARG CA C 13 57.639 0.300 . 1 . . . . 79 ARG CA . 10282 1 893 . 1 1 79 79 ARG CB C 13 30.531 0.300 . 1 . . . . 79 ARG CB . 10282 1 894 . 1 1 79 79 ARG CD C 13 43.447 0.300 . 1 . . . . 79 ARG CD . 10282 1 895 . 1 1 79 79 ARG CG C 13 27.269 0.300 . 1 . . . . 79 ARG CG . 10282 1 896 . 1 1 79 79 ARG N N 15 120.496 0.300 . 1 . . . . 79 ARG N . 10282 1 897 . 1 1 80 80 ARG H H 1 8.083 0.030 . 1 . . . . 80 ARG H . 10282 1 898 . 1 1 80 80 ARG HA H 1 4.193 0.030 . 1 . . . . 80 ARG HA . 10282 1 899 . 1 1 80 80 ARG HB2 H 1 1.886 0.030 . 2 . . . . 80 ARG HB2 . 10282 1 900 . 1 1 80 80 ARG HB3 H 1 1.827 0.030 . 2 . . . . 80 ARG HB3 . 10282 1 901 . 1 1 80 80 ARG HD2 H 1 3.169 0.030 . 2 . . . . 80 ARG HD2 . 10282 1 902 . 1 1 80 80 ARG HG2 H 1 1.698 0.030 . 2 . . . . 80 ARG HG2 . 10282 1 903 . 1 1 80 80 ARG HG3 H 1 1.608 0.030 . 2 . . . . 80 ARG HG3 . 10282 1 904 . 1 1 80 80 ARG C C 13 176.786 0.300 . 1 . . . . 80 ARG C . 10282 1 905 . 1 1 80 80 ARG CA C 13 57.196 0.300 . 1 . . . . 80 ARG CA . 10282 1 906 . 1 1 80 80 ARG CB C 13 30.531 0.300 . 1 . . . . 80 ARG CB . 10282 1 907 . 1 1 80 80 ARG CD C 13 43.518 0.300 . 1 . . . . 80 ARG CD . 10282 1 908 . 1 1 80 80 ARG CG C 13 27.269 0.300 . 1 . . . . 80 ARG CG . 10282 1 909 . 1 1 80 80 ARG N N 15 120.092 0.300 . 1 . . . . 80 ARG N . 10282 1 910 . 1 1 81 81 ALA H H 1 8.062 0.030 . 1 . . . . 81 ALA H . 10282 1 911 . 1 1 81 81 ALA HA H 1 4.256 0.030 . 1 . . . . 81 ALA HA . 10282 1 912 . 1 1 81 81 ALA HB1 H 1 1.428 0.030 . 1 . . . . 81 ALA HB . 10282 1 913 . 1 1 81 81 ALA HB2 H 1 1.428 0.030 . 1 . . . . 81 ALA HB . 10282 1 914 . 1 1 81 81 ALA HB3 H 1 1.428 0.030 . 1 . . . . 81 ALA HB . 10282 1 915 . 1 1 81 81 ALA C C 13 178.013 0.300 . 1 . . . . 81 ALA C . 10282 1 916 . 1 1 81 81 ALA CA C 13 53.141 0.300 . 1 . . . . 81 ALA CA . 10282 1 917 . 1 1 81 81 ALA CB C 13 19.003 0.300 . 1 . . . . 81 ALA CB . 10282 1 918 . 1 1 81 81 ALA N N 15 123.434 0.300 . 1 . . . . 81 ALA N . 10282 1 919 . 1 1 82 82 ASN H H 1 8.219 0.030 . 1 . . . . 82 ASN H . 10282 1 920 . 1 1 82 82 ASN HA H 1 4.661 0.030 . 1 . . . . 82 ASN HA . 10282 1 921 . 1 1 82 82 ASN HB2 H 1 2.868 0.030 . 2 . . . . 82 ASN HB2 . 10282 1 922 . 1 1 82 82 ASN HB3 H 1 2.792 0.030 . 2 . . . . 82 ASN HB3 . 10282 1 923 . 1 1 82 82 ASN HD21 H 1 7.607 0.030 . 2 . . . . 82 ASN HD21 . 10282 1 924 . 1 1 82 82 ASN HD22 H 1 6.910 0.030 . 2 . . . . 82 ASN HD22 . 10282 1 925 . 1 1 82 82 ASN C C 13 175.620 0.300 . 1 . . . . 82 ASN C . 10282 1 926 . 1 1 82 82 ASN CA C 13 53.686 0.300 . 1 . . . . 82 ASN CA . 10282 1 927 . 1 1 82 82 ASN CB C 13 38.672 0.300 . 1 . . . . 82 ASN CB . 10282 1 928 . 1 1 82 82 ASN N N 15 117.551 0.300 . 1 . . . . 82 ASN N . 10282 1 929 . 1 1 82 82 ASN ND2 N 15 112.599 0.300 . 1 . . . . 82 ASN ND2 . 10282 1 930 . 1 1 83 83 ILE H H 1 7.949 0.030 . 1 . . . . 83 ILE H . 10282 1 931 . 1 1 83 83 ILE HA H 1 4.077 0.030 . 1 . . . . 83 ILE HA . 10282 1 932 . 1 1 83 83 ILE HB H 1 1.890 0.030 . 1 . . . . 83 ILE HB . 10282 1 933 . 1 1 83 83 ILE HD11 H 1 0.854 0.030 . 1 . . . . 83 ILE HD1 . 10282 1 934 . 1 1 83 83 ILE HD12 H 1 0.854 0.030 . 1 . . . . 83 ILE HD1 . 10282 1 935 . 1 1 83 83 ILE HD13 H 1 0.854 0.030 . 1 . . . . 83 ILE HD1 . 10282 1 936 . 1 1 83 83 ILE HG12 H 1 1.192 0.030 . 2 . . . . 83 ILE HG12 . 10282 1 937 . 1 1 83 83 ILE HG13 H 1 1.505 0.030 . 2 . . . . 83 ILE HG13 . 10282 1 938 . 1 1 83 83 ILE HG21 H 1 0.906 0.030 . 1 . . . . 83 ILE HG2 . 10282 1 939 . 1 1 83 83 ILE HG22 H 1 0.906 0.030 . 1 . . . . 83 ILE HG2 . 10282 1 940 . 1 1 83 83 ILE HG23 H 1 0.906 0.030 . 1 . . . . 83 ILE HG2 . 10282 1 941 . 1 1 83 83 ILE C C 13 176.291 0.300 . 1 . . . . 83 ILE C . 10282 1 942 . 1 1 83 83 ILE CA C 13 61.695 0.300 . 1 . . . . 83 ILE CA . 10282 1 943 . 1 1 83 83 ILE CB C 13 38.672 0.300 . 1 . . . . 83 ILE CB . 10282 1 944 . 1 1 83 83 ILE CD1 C 13 12.999 0.300 . 1 . . . . 83 ILE CD1 . 10282 1 945 . 1 1 83 83 ILE CG1 C 13 27.532 0.300 . 1 . . . . 83 ILE CG1 . 10282 1 946 . 1 1 83 83 ILE CG2 C 13 17.541 0.300 . 1 . . . . 83 ILE CG2 . 10282 1 947 . 1 1 83 83 ILE N N 15 120.666 0.300 . 1 . . . . 83 ILE N . 10282 1 948 . 1 1 84 84 ALA H H 1 8.184 0.030 . 1 . . . . 84 ALA H . 10282 1 949 . 1 1 84 84 ALA HA H 1 4.262 0.030 . 1 . . . . 84 ALA HA . 10282 1 950 . 1 1 84 84 ALA HB1 H 1 1.398 0.030 . 1 . . . . 84 ALA HB . 10282 1 951 . 1 1 84 84 ALA HB2 H 1 1.398 0.030 . 1 . . . . 84 ALA HB . 10282 1 952 . 1 1 84 84 ALA HB3 H 1 1.398 0.030 . 1 . . . . 84 ALA HB . 10282 1 953 . 1 1 84 84 ALA C C 13 177.794 0.300 . 1 . . . . 84 ALA C . 10282 1 954 . 1 1 84 84 ALA CA C 13 53.005 0.300 . 1 . . . . 84 ALA CA . 10282 1 955 . 1 1 84 84 ALA CB C 13 18.941 0.300 . 1 . . . . 84 ALA CB . 10282 1 956 . 1 1 84 84 ALA N N 15 126.306 0.300 . 1 . . . . 84 ALA N . 10282 1 957 . 1 1 85 85 ALA H H 1 8.019 0.030 . 1 . . . . 85 ALA H . 10282 1 958 . 1 1 85 85 ALA HA H 1 4.263 0.030 . 1 . . . . 85 ALA HA . 10282 1 959 . 1 1 85 85 ALA HB1 H 1 1.376 0.030 . 1 . . . . 85 ALA HB . 10282 1 960 . 1 1 85 85 ALA HB2 H 1 1.376 0.030 . 1 . . . . 85 ALA HB . 10282 1 961 . 1 1 85 85 ALA HB3 H 1 1.376 0.030 . 1 . . . . 85 ALA HB . 10282 1 962 . 1 1 85 85 ALA C C 13 178.143 0.300 . 1 . . . . 85 ALA C . 10282 1 963 . 1 1 85 85 ALA CA C 13 52.857 0.300 . 1 . . . . 85 ALA CA . 10282 1 964 . 1 1 85 85 ALA CB C 13 19.170 0.300 . 1 . . . . 85 ALA CB . 10282 1 965 . 1 1 85 85 ALA N N 15 122.320 0.300 . 1 . . . . 85 ALA N . 10282 1 966 . 1 1 86 86 ILE H H 1 7.959 0.030 . 1 . . . . 86 ILE H . 10282 1 967 . 1 1 86 86 ILE HA H 1 4.077 0.030 . 1 . . . . 86 ILE HA . 10282 1 968 . 1 1 86 86 ILE HB H 1 1.890 0.030 . 1 . . . . 86 ILE HB . 10282 1 969 . 1 1 86 86 ILE HD11 H 1 0.855 0.030 . 1 . . . . 86 ILE HD1 . 10282 1 970 . 1 1 86 86 ILE HD12 H 1 0.855 0.030 . 1 . . . . 86 ILE HD1 . 10282 1 971 . 1 1 86 86 ILE HD13 H 1 0.855 0.030 . 1 . . . . 86 ILE HD1 . 10282 1 972 . 1 1 86 86 ILE HG12 H 1 1.189 0.030 . 2 . . . . 86 ILE HG12 . 10282 1 973 . 1 1 86 86 ILE HG13 H 1 1.504 0.030 . 2 . . . . 86 ILE HG13 . 10282 1 974 . 1 1 86 86 ILE HG21 H 1 0.907 0.030 . 1 . . . . 86 ILE HG2 . 10282 1 975 . 1 1 86 86 ILE HG22 H 1 0.907 0.030 . 1 . . . . 86 ILE HG2 . 10282 1 976 . 1 1 86 86 ILE HG23 H 1 0.907 0.030 . 1 . . . . 86 ILE HG2 . 10282 1 977 . 1 1 86 86 ILE C C 13 176.697 0.300 . 1 . . . . 86 ILE C . 10282 1 978 . 1 1 86 86 ILE CA C 13 61.654 0.300 . 1 . . . . 86 ILE CA . 10282 1 979 . 1 1 86 86 ILE CB C 13 38.603 0.300 . 1 . . . . 86 ILE CB . 10282 1 980 . 1 1 86 86 ILE CD1 C 13 12.936 0.300 . 1 . . . . 86 ILE CD1 . 10282 1 981 . 1 1 86 86 ILE CG1 C 13 27.553 0.300 . 1 . . . . 86 ILE CG1 . 10282 1 982 . 1 1 86 86 ILE CG2 C 13 17.478 0.300 . 1 . . . . 86 ILE CG2 . 10282 1 983 . 1 1 86 86 ILE N N 15 119.762 0.300 . 1 . . . . 86 ILE N . 10282 1 984 . 1 1 87 87 LEU H H 1 8.219 0.030 . 1 . . . . 87 LEU H . 10282 1 985 . 1 1 87 87 LEU HA H 1 4.340 0.030 . 1 . . . . 87 LEU HA . 10282 1 986 . 1 1 87 87 LEU HB2 H 1 1.669 0.030 . 2 . . . . 87 LEU HB2 . 10282 1 987 . 1 1 87 87 LEU HB3 H 1 1.584 0.030 . 2 . . . . 87 LEU HB3 . 10282 1 988 . 1 1 87 87 LEU HD11 H 1 0.899 0.030 . 1 . . . . 87 LEU HD1 . 10282 1 989 . 1 1 87 87 LEU HD12 H 1 0.899 0.030 . 1 . . . . 87 LEU HD1 . 10282 1 990 . 1 1 87 87 LEU HD13 H 1 0.899 0.030 . 1 . . . . 87 LEU HD1 . 10282 1 991 . 1 1 87 87 LEU HD21 H 1 0.859 0.030 . 1 . . . . 87 LEU HD2 . 10282 1 992 . 1 1 87 87 LEU HD22 H 1 0.859 0.030 . 1 . . . . 87 LEU HD2 . 10282 1 993 . 1 1 87 87 LEU HD23 H 1 0.859 0.030 . 1 . . . . 87 LEU HD2 . 10282 1 994 . 1 1 87 87 LEU HG H 1 1.624 0.030 . 1 . . . . 87 LEU HG . 10282 1 995 . 1 1 87 87 LEU C C 13 177.616 0.300 . 1 . . . . 87 LEU C . 10282 1 996 . 1 1 87 87 LEU CA C 13 55.425 0.300 . 1 . . . . 87 LEU CA . 10282 1 997 . 1 1 87 87 LEU CB C 13 42.328 0.300 . 1 . . . . 87 LEU CB . 10282 1 998 . 1 1 87 87 LEU CD1 C 13 24.935 0.300 . 2 . . . . 87 LEU CD1 . 10282 1 999 . 1 1 87 87 LEU CD2 C 13 23.502 0.300 . 2 . . . . 87 LEU CD2 . 10282 1 1000 . 1 1 87 87 LEU CG C 13 27.057 0.300 . 1 . . . . 87 LEU CG . 10282 1 1001 . 1 1 87 87 LEU N N 15 125.404 0.300 . 1 . . . . 87 LEU N . 10282 1 1002 . 1 1 88 88 GLU H H 1 8.321 0.030 . 1 . . . . 88 GLU H . 10282 1 1003 . 1 1 88 88 GLU HA H 1 4.287 0.030 . 1 . . . . 88 GLU HA . 10282 1 1004 . 1 1 88 88 GLU HB2 H 1 2.070 0.030 . 2 . . . . 88 GLU HB2 . 10282 1 1005 . 1 1 88 88 GLU HB3 H 1 1.968 0.030 . 2 . . . . 88 GLU HB3 . 10282 1 1006 . 1 1 88 88 GLU HG2 H 1 2.284 0.030 . 2 . . . . 88 GLU HG2 . 10282 1 1007 . 1 1 88 88 GLU HG3 H 1 2.121 0.030 . 2 . . . . 88 GLU HG3 . 10282 1 1008 . 1 1 88 88 GLU C C 13 176.636 0.300 . 1 . . . . 88 GLU C . 10282 1 1009 . 1 1 88 88 GLU CA C 13 56.872 0.300 . 1 . . . . 88 GLU CA . 10282 1 1010 . 1 1 88 88 GLU CB C 13 30.186 0.300 . 1 . . . . 88 GLU CB . 10282 1 1011 . 1 1 88 88 GLU CG C 13 36.281 0.300 . 1 . . . . 88 GLU CG . 10282 1 1012 . 1 1 88 88 GLU N N 15 121.673 0.300 . 1 . . . . 88 GLU N . 10282 1 1013 . 1 1 89 89 SER H H 1 8.254 0.030 . 1 . . . . 89 SER H . 10282 1 1014 . 1 1 89 89 SER HA H 1 4.483 0.030 . 1 . . . . 89 SER HA . 10282 1 1015 . 1 1 89 89 SER HB2 H 1 3.919 0.030 . 2 . . . . 89 SER HB2 . 10282 1 1016 . 1 1 89 89 SER HB3 H 1 3.864 0.030 . 2 . . . . 89 SER HB3 . 10282 1 1017 . 1 1 89 89 SER C C 13 174.693 0.300 . 1 . . . . 89 SER C . 10282 1 1018 . 1 1 89 89 SER CA C 13 58.395 0.300 . 1 . . . . 89 SER CA . 10282 1 1019 . 1 1 89 89 SER CB C 13 64.017 0.300 . 1 . . . . 89 SER CB . 10282 1 1020 . 1 1 89 89 SER N N 15 116.276 0.300 . 1 . . . . 89 SER N . 10282 1 1021 . 1 1 90 90 SER H H 1 8.346 0.030 . 1 . . . . 90 SER H . 10282 1 1022 . 1 1 90 90 SER HA H 1 4.478 0.030 . 1 . . . . 90 SER HA . 10282 1 1023 . 1 1 90 90 SER HB2 H 1 3.919 0.030 . 2 . . . . 90 SER HB2 . 10282 1 1024 . 1 1 90 90 SER C C 13 174.564 0.300 . 1 . . . . 90 SER C . 10282 1 1025 . 1 1 90 90 SER CA C 13 58.525 0.300 . 1 . . . . 90 SER CA . 10282 1 1026 . 1 1 90 90 SER CB C 13 64.129 0.300 . 1 . . . . 90 SER CB . 10282 1 1027 . 1 1 90 90 SER N N 15 117.689 0.300 . 1 . . . . 90 SER N . 10282 1 1028 . 1 1 91 91 GLY H H 1 8.213 0.030 . 1 . . . . 91 GLY H . 10282 1 1029 . 1 1 91 91 GLY HA2 H 1 4.112 0.030 . 2 . . . . 91 GLY HA2 . 10282 1 1030 . 1 1 91 91 GLY HA3 H 1 4.112 0.030 . 2 . . . . 91 GLY HA3 . 10282 1 1031 . 1 1 91 91 GLY C C 13 171.803 0.300 . 1 . . . . 91 GLY C . 10282 1 1032 . 1 1 91 91 GLY CA C 13 44.743 0.300 . 1 . . . . 91 GLY CA . 10282 1 1033 . 1 1 91 91 GLY N N 15 110.570 0.300 . 1 . . . . 91 GLY N . 10282 1 1034 . 1 1 92 92 PRO HA H 1 4.530 0.030 . 1 . . . . 92 PRO HA . 10282 1 1035 . 1 1 93 93 SER HA H 1 4.498 0.030 . 1 . . . . 93 SER HA . 10282 1 1036 . 1 1 93 93 SER HB2 H 1 3.881 0.030 . 2 . . . . 93 SER HB2 . 10282 1 1037 . 1 1 93 93 SER C C 13 173.981 0.300 . 1 . . . . 93 SER C . 10282 1 1038 . 1 1 93 93 SER CA C 13 57.378 0.300 . 1 . . . . 93 SER CA . 10282 1 1039 . 1 1 93 93 SER CB C 13 58.505 0.300 . 1 . . . . 93 SER CB . 10282 1 1040 . 1 1 94 94 SER H H 1 8.032 0.030 . 1 . . . . 94 SER H . 10282 1 1041 . 1 1 94 94 SER HA H 1 4.498 0.030 . 1 . . . . 94 SER HA . 10282 1 1042 . 1 1 94 94 SER HB2 H 1 3.873 0.030 . 2 . . . . 94 SER HB2 . 10282 1 1043 . 1 1 94 94 SER C C 13 173.955 0.300 . 1 . . . . 94 SER C . 10282 1 1044 . 1 1 94 94 SER CA C 13 58.436 0.300 . 1 . . . . 94 SER CA . 10282 1 1045 . 1 1 94 94 SER CB C 13 64.017 0.300 . 1 . . . . 94 SER CB . 10282 1 1046 . 1 1 94 94 SER N N 15 116.327 0.300 . 1 . . . . 94 SER N . 10282 1 1047 . 1 1 95 95 GLY H H 1 8.046 0.030 . 1 . . . . 95 GLY H . 10282 1 1048 . 1 1 95 95 GLY C C 13 179.013 0.300 . 1 . . . . 95 GLY C . 10282 1 1049 . 1 1 95 95 GLY CA C 13 46.250 0.300 . 1 . . . . 95 GLY CA . 10282 1 1050 . 1 1 95 95 GLY N N 15 116.859 0.300 . 1 . . . . 95 GLY N . 10282 1 stop_ save_