data_10291 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10291 _Entry.Title ; The solution structure of the homeobox domain of human homeobox protein TGIF2LX ; _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 N. Tochio . . . 10291 2 S. Ohnishi . . . 10291 3 A. Sasagawa . . . 10291 4 K. Saito . . . 10291 5 S. Koshiba . . . 10291 6 M. Inoue . . . 10291 7 T. Kigawa . . . 10291 8 S. Yokoyama . . . 10291 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' 10291 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10291 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 10291 '15N chemical shifts' 68 10291 '1H chemical shifts' 498 10291 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 . 10291 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMN 'BMRB Entry Tracking System' 10291 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10291 _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 'The solution structure of the homeobox domain of human homeobox protein TGIF2LX' _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 N. Tochio . . . 10291 1 2 S. Ohnishi . . . 10291 1 3 A. Sasagawa . . . 10291 1 4 K. Saito . . . 10291 1 5 S. Koshiba . . . 10291 1 6 M. Inoue . . . 10291 1 7 T. Kigawa . . . 10291 1 8 S. Yokoyama . . . 10291 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10291 _Assembly.ID 1 _Assembly.Name 'Homeobox protein TGIF2LX' _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 . . . 10291 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 2DMN . . . . . . 10291 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10291 _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 ; GSSGSSGKKRKGNLPAESVK ILRDWMYKHRFKAYPSEEEK QMLSEKTNLSLLQISNWFIN ARRRILPDMLQQRRNDPSGP SSG ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2DMN . "The Solution Structure Of The Homeobox Domain Of Human Homeobox Protein Tgif2lx" . . . . . 100.00 83 100.00 100.00 4.56e-52 . . . . 10291 1 2 no DBJ BAF85298 . "unnamed protein product [Homo sapiens]" . . . . . 84.34 185 98.57 100.00 1.89e-42 . . . . 10291 1 3 no DBJ BAG74238 . "TGFB-induced factor homeobox 2-like, X-linked [synthetic construct]" . . . . . 84.34 241 100.00 100.00 1.03e-42 . . . . 10291 1 4 no DBJ BAG74239 . "TGFB-induced factor homeobox 2-like, Y-linked [synthetic construct]" . . . . . 84.34 185 98.57 100.00 1.89e-42 . . . . 10291 1 5 no EMBL CAC87895 . "TGIF-like on the X [Pan troglodytes]" . . . . . 84.34 241 97.14 98.57 1.15e-41 . . . . 10291 1 6 no EMBL CAC87896 . "TGIF-like on the X [Gorilla gorilla]" . . . . . 84.34 241 100.00 100.00 1.27e-42 . . . . 10291 1 7 no EMBL CAD20750 . "putative transcription factor [Homo sapiens]" . . . . . 84.34 241 100.00 100.00 1.03e-42 . . . . 10291 1 8 no EMBL CAD20751 . "TG-interacting factor-like [Homo sapiens]" . . . . . 84.34 185 98.57 100.00 1.89e-42 . . . . 10291 1 9 no GB AAI01145 . "TGIF2LX protein, partial [Homo sapiens]" . . . . . 84.34 223 100.00 100.00 1.02e-42 . . . . 10291 1 10 no GB AAI01146 . "TGIF2LX protein, partial [Homo sapiens]" . . . . . 84.34 223 100.00 100.00 1.02e-42 . . . . 10291 1 11 no GB AAI17399 . "TGFB-induced factor homeobox 2-like, X-linked [Homo sapiens]" . . . . . 84.34 241 100.00 100.00 1.03e-42 . . . . 10291 1 12 no GB AAI17401 . "TGFB-induced factor homeobox 2-like, X-linked [Homo sapiens]" . . . . . 84.34 241 100.00 100.00 1.03e-42 . . . . 10291 1 13 no GB AAI28605 . "TGFB-induced factor homeobox 2-like, Y-linked [Homo sapiens]" . . . . . 84.34 185 98.57 100.00 1.89e-42 . . . . 10291 1 14 no REF NP_001009067 . "homeobox protein TGIF2LX [Pan troglodytes]" . . . . . 84.34 241 97.14 98.57 1.15e-41 . . . . 10291 1 15 no REF NP_001266647 . "TGFB-induced factor homeobox 2-like, X-linked [Gorilla gorilla]" . . . . . 84.34 241 100.00 100.00 1.27e-42 . . . . 10291 1 16 no REF NP_620410 . "homeobox protein TGIF2LX [Homo sapiens]" . . . . . 84.34 241 100.00 100.00 1.03e-42 . . . . 10291 1 17 no REF NP_631960 . "homeobox protein TGIF2LY [Homo sapiens]" . . . . . 84.34 185 98.57 100.00 1.89e-42 . . . . 10291 1 18 no REF XP_003810418 . "PREDICTED: homeobox protein TGIF2LX [Pan paniscus]" . . . . . 84.34 241 98.57 98.57 8.49e-42 . . . . 10291 1 19 no SP A1YGI6 . "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" . . . . . 84.34 241 98.57 98.57 8.49e-42 . . . . 10291 1 20 no SP Q8IUE0 . "RecName: Full=Homeobox protein TGIF2LY; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" . . . . . 84.34 185 98.57 100.00 1.89e-42 . . . . 10291 1 21 no SP Q8IUE1 . "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" . . . . . 84.34 241 100.00 100.00 1.03e-42 . . . . 10291 1 22 no SP Q8MIB7 . "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" . . . . . 84.34 241 98.57 98.57 7.07e-42 . . . . 10291 1 23 no SP Q8MIE9 . "RecName: Full=Homeobox protein TGIF2LX; AltName: Full=TGF-beta-induced transcription factor 2-like protein; AltName: Full=TGFB-" . . . . . 84.34 241 100.00 100.00 1.27e-42 . . . . 10291 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10291 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 . 10291 1 2 . SER . 10291 1 3 . SER . 10291 1 4 . GLY . 10291 1 5 . SER . 10291 1 6 . SER . 10291 1 7 . GLY . 10291 1 8 . LYS . 10291 1 9 . LYS . 10291 1 10 . ARG . 10291 1 11 . LYS . 10291 1 12 . GLY . 10291 1 13 . ASN . 10291 1 14 . LEU . 10291 1 15 . PRO . 10291 1 16 . ALA . 10291 1 17 . GLU . 10291 1 18 . SER . 10291 1 19 . VAL . 10291 1 20 . LYS . 10291 1 21 . ILE . 10291 1 22 . LEU . 10291 1 23 . ARG . 10291 1 24 . ASP . 10291 1 25 . TRP . 10291 1 26 . MET . 10291 1 27 . TYR . 10291 1 28 . LYS . 10291 1 29 . HIS . 10291 1 30 . ARG . 10291 1 31 . PHE . 10291 1 32 . LYS . 10291 1 33 . ALA . 10291 1 34 . TYR . 10291 1 35 . PRO . 10291 1 36 . SER . 10291 1 37 . GLU . 10291 1 38 . GLU . 10291 1 39 . GLU . 10291 1 40 . LYS . 10291 1 41 . GLN . 10291 1 42 . MET . 10291 1 43 . LEU . 10291 1 44 . SER . 10291 1 45 . GLU . 10291 1 46 . LYS . 10291 1 47 . THR . 10291 1 48 . ASN . 10291 1 49 . LEU . 10291 1 50 . SER . 10291 1 51 . LEU . 10291 1 52 . LEU . 10291 1 53 . GLN . 10291 1 54 . ILE . 10291 1 55 . SER . 10291 1 56 . ASN . 10291 1 57 . TRP . 10291 1 58 . PHE . 10291 1 59 . ILE . 10291 1 60 . ASN . 10291 1 61 . ALA . 10291 1 62 . ARG . 10291 1 63 . ARG . 10291 1 64 . ARG . 10291 1 65 . ILE . 10291 1 66 . LEU . 10291 1 67 . PRO . 10291 1 68 . ASP . 10291 1 69 . MET . 10291 1 70 . LEU . 10291 1 71 . GLN . 10291 1 72 . GLN . 10291 1 73 . ARG . 10291 1 74 . ARG . 10291 1 75 . ASN . 10291 1 76 . ASP . 10291 1 77 . PRO . 10291 1 78 . SER . 10291 1 79 . GLY . 10291 1 80 . PRO . 10291 1 81 . SER . 10291 1 82 . SER . 10291 1 83 . GLY . 10291 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 10291 1 . SER 2 2 10291 1 . SER 3 3 10291 1 . GLY 4 4 10291 1 . SER 5 5 10291 1 . SER 6 6 10291 1 . GLY 7 7 10291 1 . LYS 8 8 10291 1 . LYS 9 9 10291 1 . ARG 10 10 10291 1 . LYS 11 11 10291 1 . GLY 12 12 10291 1 . ASN 13 13 10291 1 . LEU 14 14 10291 1 . PRO 15 15 10291 1 . ALA 16 16 10291 1 . GLU 17 17 10291 1 . SER 18 18 10291 1 . VAL 19 19 10291 1 . LYS 20 20 10291 1 . ILE 21 21 10291 1 . LEU 22 22 10291 1 . ARG 23 23 10291 1 . ASP 24 24 10291 1 . TRP 25 25 10291 1 . MET 26 26 10291 1 . TYR 27 27 10291 1 . LYS 28 28 10291 1 . HIS 29 29 10291 1 . ARG 30 30 10291 1 . PHE 31 31 10291 1 . LYS 32 32 10291 1 . ALA 33 33 10291 1 . TYR 34 34 10291 1 . PRO 35 35 10291 1 . SER 36 36 10291 1 . GLU 37 37 10291 1 . GLU 38 38 10291 1 . GLU 39 39 10291 1 . LYS 40 40 10291 1 . GLN 41 41 10291 1 . MET 42 42 10291 1 . LEU 43 43 10291 1 . SER 44 44 10291 1 . GLU 45 45 10291 1 . LYS 46 46 10291 1 . THR 47 47 10291 1 . ASN 48 48 10291 1 . LEU 49 49 10291 1 . SER 50 50 10291 1 . LEU 51 51 10291 1 . LEU 52 52 10291 1 . GLN 53 53 10291 1 . ILE 54 54 10291 1 . SER 55 55 10291 1 . ASN 56 56 10291 1 . TRP 57 57 10291 1 . PHE 58 58 10291 1 . ILE 59 59 10291 1 . ASN 60 60 10291 1 . ALA 61 61 10291 1 . ARG 62 62 10291 1 . ARG 63 63 10291 1 . ARG 64 64 10291 1 . ILE 65 65 10291 1 . LEU 66 66 10291 1 . PRO 67 67 10291 1 . ASP 68 68 10291 1 . MET 69 69 10291 1 . LEU 70 70 10291 1 . GLN 71 71 10291 1 . GLN 72 72 10291 1 . ARG 73 73 10291 1 . ARG 74 74 10291 1 . ASN 75 75 10291 1 . ASP 76 76 10291 1 . PRO 77 77 10291 1 . SER 78 78 10291 1 . GLY 79 79 10291 1 . PRO 80 80 10291 1 . SER 81 81 10291 1 . SER 82 82 10291 1 . GLY 83 83 10291 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 10291 _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 . . . . . . . . . . . . . . . . . . . . . 10291 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 10291 _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 . . P050530-26 . . . . . . 10291 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10291 _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 1.1 . . mM . . . . 10291 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10291 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10291 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10291 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10291 1 6 H2O . . . . . . solvent 90 . . % . . . . 10291 1 7 D2O . . . . . . solvent 10 . . % . . . . 10291 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 10291 _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 10291 1 pH 7.0 0.05 pH 10291 1 pressure 1 0.001 atm 10291 1 temperature 298 0.1 K 10291 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10291 _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 . . 10291 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10291 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10291 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10291 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10291 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10291 _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.' . . 10291 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10291 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10291 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10291 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10291 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10291 _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.' . . 10291 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10291 5 'structure solution' 10291 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 10291 _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 10291 _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 . . . 10291 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 10291 _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 . . . . . . . . . . . . . . . . 10291 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10291 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 10291 _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 . . . . . . . . . 10291 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10291 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10291 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 10291 _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 10291 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10291 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 13 13 ASN HA H 1 4.787 0.030 . 1 . . . . 13 ASN HA . 10291 1 2 . 1 1 13 13 ASN HB2 H 1 2.840 0.030 . 2 . . . . 13 ASN HB2 . 10291 1 3 . 1 1 13 13 ASN HB3 H 1 2.744 0.030 . 2 . . . . 13 ASN HB3 . 10291 1 4 . 1 1 13 13 ASN HD21 H 1 7.591 0.030 . 2 . . . . 13 ASN HD21 . 10291 1 5 . 1 1 13 13 ASN HD22 H 1 6.885 0.030 . 2 . . . . 13 ASN HD22 . 10291 1 6 . 1 1 13 13 ASN CA C 13 53.148 0.300 . 1 . . . . 13 ASN CA . 10291 1 7 . 1 1 13 13 ASN CB C 13 39.378 0.300 . 1 . . . . 13 ASN CB . 10291 1 8 . 1 1 13 13 ASN ND2 N 15 112.863 0.300 . 1 . . . . 13 ASN ND2 . 10291 1 9 . 1 1 14 14 LEU H H 1 8.418 0.030 . 1 . . . . 14 LEU H . 10291 1 10 . 1 1 14 14 LEU HA H 1 4.654 0.030 . 1 . . . . 14 LEU HA . 10291 1 11 . 1 1 14 14 LEU HB2 H 1 1.233 0.030 . 2 . . . . 14 LEU HB2 . 10291 1 12 . 1 1 14 14 LEU HB3 H 1 1.624 0.030 . 2 . . . . 14 LEU HB3 . 10291 1 13 . 1 1 14 14 LEU HD11 H 1 0.912 0.030 . 1 . . . . 14 LEU HD1 . 10291 1 14 . 1 1 14 14 LEU HD12 H 1 0.912 0.030 . 1 . . . . 14 LEU HD1 . 10291 1 15 . 1 1 14 14 LEU HD13 H 1 0.912 0.030 . 1 . . . . 14 LEU HD1 . 10291 1 16 . 1 1 14 14 LEU HD21 H 1 0.899 0.030 . 1 . . . . 14 LEU HD2 . 10291 1 17 . 1 1 14 14 LEU HD22 H 1 0.899 0.030 . 1 . . . . 14 LEU HD2 . 10291 1 18 . 1 1 14 14 LEU HD23 H 1 0.899 0.030 . 1 . . . . 14 LEU HD2 . 10291 1 19 . 1 1 14 14 LEU HG H 1 1.804 0.030 . 1 . . . . 14 LEU HG . 10291 1 20 . 1 1 14 14 LEU CA C 13 52.999 0.300 . 1 . . . . 14 LEU CA . 10291 1 21 . 1 1 14 14 LEU CB C 13 41.919 0.300 . 1 . . . . 14 LEU CB . 10291 1 22 . 1 1 14 14 LEU CD1 C 13 25.546 0.300 . 2 . . . . 14 LEU CD1 . 10291 1 23 . 1 1 14 14 LEU CD2 C 13 23.609 0.300 . 2 . . . . 14 LEU CD2 . 10291 1 24 . 1 1 14 14 LEU CG C 13 27.271 0.300 . 1 . . . . 14 LEU CG . 10291 1 25 . 1 1 14 14 LEU N N 15 122.671 0.300 . 1 . . . . 14 LEU N . 10291 1 26 . 1 1 15 15 PRO HA H 1 4.460 0.030 . 1 . . . . 15 PRO HA . 10291 1 27 . 1 1 15 15 PRO HB2 H 1 1.997 0.030 . 2 . . . . 15 PRO HB2 . 10291 1 28 . 1 1 15 15 PRO HB3 H 1 2.534 0.030 . 2 . . . . 15 PRO HB3 . 10291 1 29 . 1 1 15 15 PRO HD2 H 1 4.006 0.030 . 2 . . . . 15 PRO HD2 . 10291 1 30 . 1 1 15 15 PRO HD3 H 1 3.479 0.030 . 2 . . . . 15 PRO HD3 . 10291 1 31 . 1 1 15 15 PRO HG2 H 1 2.216 0.030 . 2 . . . . 15 PRO HG2 . 10291 1 32 . 1 1 15 15 PRO HG3 H 1 2.079 0.030 . 2 . . . . 15 PRO HG3 . 10291 1 33 . 1 1 15 15 PRO C C 13 178.156 0.300 . 1 . . . . 15 PRO C . 10291 1 34 . 1 1 15 15 PRO CA C 13 63.101 0.300 . 1 . . . . 15 PRO CA . 10291 1 35 . 1 1 15 15 PRO CB C 13 32.304 0.300 . 1 . . . . 15 PRO CB . 10291 1 36 . 1 1 15 15 PRO CD C 13 50.904 0.300 . 1 . . . . 15 PRO CD . 10291 1 37 . 1 1 15 15 PRO CG C 13 27.931 0.300 . 1 . . . . 15 PRO CG . 10291 1 38 . 1 1 16 16 ALA H H 1 8.973 0.030 . 1 . . . . 16 ALA H . 10291 1 39 . 1 1 16 16 ALA HA H 1 4.021 0.030 . 1 . . . . 16 ALA HA . 10291 1 40 . 1 1 16 16 ALA HB1 H 1 1.494 0.030 . 1 . . . . 16 ALA HB . 10291 1 41 . 1 1 16 16 ALA HB2 H 1 1.494 0.030 . 1 . . . . 16 ALA HB . 10291 1 42 . 1 1 16 16 ALA HB3 H 1 1.494 0.030 . 1 . . . . 16 ALA HB . 10291 1 43 . 1 1 16 16 ALA C C 13 180.695 0.300 . 1 . . . . 16 ALA C . 10291 1 44 . 1 1 16 16 ALA CA C 13 55.642 0.300 . 1 . . . . 16 ALA CA . 10291 1 45 . 1 1 16 16 ALA CB C 13 18.552 0.300 . 1 . . . . 16 ALA CB . 10291 1 46 . 1 1 16 16 ALA N N 15 128.311 0.300 . 1 . . . . 16 ALA N . 10291 1 47 . 1 1 17 17 GLU H H 1 9.558 0.030 . 1 . . . . 17 GLU H . 10291 1 48 . 1 1 17 17 GLU HA H 1 4.065 0.030 . 1 . . . . 17 GLU HA . 10291 1 49 . 1 1 17 17 GLU HB2 H 1 2.064 0.030 . 1 . . . . 17 GLU HB2 . 10291 1 50 . 1 1 17 17 GLU HB3 H 1 2.064 0.030 . 1 . . . . 17 GLU HB3 . 10291 1 51 . 1 1 17 17 GLU HG2 H 1 2.387 0.030 . 1 . . . . 17 GLU HG2 . 10291 1 52 . 1 1 17 17 GLU HG3 H 1 2.387 0.030 . 1 . . . . 17 GLU HG3 . 10291 1 53 . 1 1 17 17 GLU C C 13 178.886 0.300 . 1 . . . . 17 GLU C . 10291 1 54 . 1 1 17 17 GLU CA C 13 59.400 0.300 . 1 . . . . 17 GLU CA . 10291 1 55 . 1 1 17 17 GLU CB C 13 28.742 0.300 . 1 . . . . 17 GLU CB . 10291 1 56 . 1 1 17 17 GLU CG C 13 36.227 0.300 . 1 . . . . 17 GLU CG . 10291 1 57 . 1 1 17 17 GLU N N 15 117.113 0.300 . 1 . . . . 17 GLU N . 10291 1 58 . 1 1 18 18 SER H H 1 7.263 0.030 . 1 . . . . 18 SER H . 10291 1 59 . 1 1 18 18 SER HA H 1 4.180 0.030 . 1 . . . . 18 SER HA . 10291 1 60 . 1 1 18 18 SER HB2 H 1 3.919 0.030 . 2 . . . . 18 SER HB2 . 10291 1 61 . 1 1 18 18 SER HB3 H 1 3.761 0.030 . 2 . . . . 18 SER HB3 . 10291 1 62 . 1 1 18 18 SER C C 13 174.951 0.300 . 1 . . . . 18 SER C . 10291 1 63 . 1 1 18 18 SER CA C 13 61.969 0.300 . 1 . . . . 18 SER CA . 10291 1 64 . 1 1 18 18 SER CB C 13 62.554 0.300 . 1 . . . . 18 SER CB . 10291 1 65 . 1 1 18 18 SER N N 15 114.932 0.300 . 1 . . . . 18 SER N . 10291 1 66 . 1 1 19 19 VAL H H 1 7.620 0.030 . 1 . . . . 19 VAL H . 10291 1 67 . 1 1 19 19 VAL HA H 1 3.011 0.030 . 1 . . . . 19 VAL HA . 10291 1 68 . 1 1 19 19 VAL HB H 1 2.001 0.030 . 1 . . . . 19 VAL HB . 10291 1 69 . 1 1 19 19 VAL HG11 H 1 0.899 0.030 . 1 . . . . 19 VAL HG1 . 10291 1 70 . 1 1 19 19 VAL HG12 H 1 0.899 0.030 . 1 . . . . 19 VAL HG1 . 10291 1 71 . 1 1 19 19 VAL HG13 H 1 0.899 0.030 . 1 . . . . 19 VAL HG1 . 10291 1 72 . 1 1 19 19 VAL HG21 H 1 0.992 0.030 . 1 . . . . 19 VAL HG2 . 10291 1 73 . 1 1 19 19 VAL HG22 H 1 0.992 0.030 . 1 . . . . 19 VAL HG2 . 10291 1 74 . 1 1 19 19 VAL HG23 H 1 0.992 0.030 . 1 . . . . 19 VAL HG2 . 10291 1 75 . 1 1 19 19 VAL C C 13 176.953 0.300 . 1 . . . . 19 VAL C . 10291 1 76 . 1 1 19 19 VAL CA C 13 66.479 0.300 . 1 . . . . 19 VAL CA . 10291 1 77 . 1 1 19 19 VAL CB C 13 31.569 0.300 . 1 . . . . 19 VAL CB . 10291 1 78 . 1 1 19 19 VAL CG1 C 13 23.584 0.300 . 2 . . . . 19 VAL CG1 . 10291 1 79 . 1 1 19 19 VAL CG2 C 13 21.834 0.300 . 2 . . . . 19 VAL CG2 . 10291 1 80 . 1 1 19 19 VAL N N 15 121.086 0.300 . 1 . . . . 19 VAL N . 10291 1 81 . 1 1 20 20 LYS H H 1 7.745 0.030 . 1 . . . . 20 LYS H . 10291 1 82 . 1 1 20 20 LYS HA H 1 3.884 0.030 . 1 . . . . 20 LYS HA . 10291 1 83 . 1 1 20 20 LYS HB2 H 1 1.874 0.030 . 1 . . . . 20 LYS HB2 . 10291 1 84 . 1 1 20 20 LYS HB3 H 1 1.874 0.030 . 1 . . . . 20 LYS HB3 . 10291 1 85 . 1 1 20 20 LYS HD2 H 1 1.701 0.030 . 1 . . . . 20 LYS HD2 . 10291 1 86 . 1 1 20 20 LYS HD3 H 1 1.701 0.030 . 1 . . . . 20 LYS HD3 . 10291 1 87 . 1 1 20 20 LYS HE2 H 1 3.012 0.030 . 1 . . . . 20 LYS HE2 . 10291 1 88 . 1 1 20 20 LYS HE3 H 1 3.012 0.030 . 1 . . . . 20 LYS HE3 . 10291 1 89 . 1 1 20 20 LYS HG2 H 1 1.496 0.030 . 2 . . . . 20 LYS HG2 . 10291 1 90 . 1 1 20 20 LYS HG3 H 1 1.387 0.030 . 2 . . . . 20 LYS HG3 . 10291 1 91 . 1 1 20 20 LYS C C 13 178.150 0.300 . 1 . . . . 20 LYS C . 10291 1 92 . 1 1 20 20 LYS CA C 13 59.984 0.300 . 1 . . . . 20 LYS CA . 10291 1 93 . 1 1 20 20 LYS CB C 13 32.351 0.300 . 1 . . . . 20 LYS CB . 10291 1 94 . 1 1 20 20 LYS CD C 13 29.211 0.300 . 1 . . . . 20 LYS CD . 10291 1 95 . 1 1 20 20 LYS CE C 13 42.255 0.300 . 1 . . . . 20 LYS CE . 10291 1 96 . 1 1 20 20 LYS CG C 13 25.138 0.300 . 1 . . . . 20 LYS CG . 10291 1 97 . 1 1 20 20 LYS N N 15 119.366 0.300 . 1 . . . . 20 LYS N . 10291 1 98 . 1 1 21 21 ILE H H 1 6.943 0.030 . 1 . . . . 21 ILE H . 10291 1 99 . 1 1 21 21 ILE HA H 1 3.783 0.030 . 1 . . . . 21 ILE HA . 10291 1 100 . 1 1 21 21 ILE HB H 1 1.851 0.030 . 1 . . . . 21 ILE HB . 10291 1 101 . 1 1 21 21 ILE HD11 H 1 0.845 0.030 . 1 . . . . 21 ILE HD1 . 10291 1 102 . 1 1 21 21 ILE HD12 H 1 0.845 0.030 . 1 . . . . 21 ILE HD1 . 10291 1 103 . 1 1 21 21 ILE HD13 H 1 0.845 0.030 . 1 . . . . 21 ILE HD1 . 10291 1 104 . 1 1 21 21 ILE HG12 H 1 1.196 0.030 . 2 . . . . 21 ILE HG12 . 10291 1 105 . 1 1 21 21 ILE HG13 H 1 1.775 0.030 . 2 . . . . 21 ILE HG13 . 10291 1 106 . 1 1 21 21 ILE HG21 H 1 0.786 0.030 . 1 . . . . 21 ILE HG2 . 10291 1 107 . 1 1 21 21 ILE HG22 H 1 0.786 0.030 . 1 . . . . 21 ILE HG2 . 10291 1 108 . 1 1 21 21 ILE HG23 H 1 0.786 0.030 . 1 . . . . 21 ILE HG2 . 10291 1 109 . 1 1 21 21 ILE C C 13 178.996 0.300 . 1 . . . . 21 ILE C . 10291 1 110 . 1 1 21 21 ILE CA C 13 64.642 0.300 . 1 . . . . 21 ILE CA . 10291 1 111 . 1 1 21 21 ILE CB C 13 38.014 0.300 . 1 . . . . 21 ILE CB . 10291 1 112 . 1 1 21 21 ILE CD1 C 13 13.676 0.300 . 1 . . . . 21 ILE CD1 . 10291 1 113 . 1 1 21 21 ILE CG1 C 13 29.289 0.300 . 1 . . . . 21 ILE CG1 . 10291 1 114 . 1 1 21 21 ILE CG2 C 13 17.137 0.300 . 1 . . . . 21 ILE CG2 . 10291 1 115 . 1 1 21 21 ILE N N 15 118.163 0.300 . 1 . . . . 21 ILE N . 10291 1 116 . 1 1 22 22 LEU H H 1 7.267 0.030 . 1 . . . . 22 LEU H . 10291 1 117 . 1 1 22 22 LEU HA H 1 3.748 0.030 . 1 . . . . 22 LEU HA . 10291 1 118 . 1 1 22 22 LEU HB2 H 1 -0.090 0.030 . 2 . . . . 22 LEU HB2 . 10291 1 119 . 1 1 22 22 LEU HB3 H 1 0.577 0.030 . 2 . . . . 22 LEU HB3 . 10291 1 120 . 1 1 22 22 LEU HD11 H 1 -0.268 0.030 . 1 . . . . 22 LEU HD1 . 10291 1 121 . 1 1 22 22 LEU HD12 H 1 -0.268 0.030 . 1 . . . . 22 LEU HD1 . 10291 1 122 . 1 1 22 22 LEU HD13 H 1 -0.268 0.030 . 1 . . . . 22 LEU HD1 . 10291 1 123 . 1 1 22 22 LEU HD21 H 1 0.485 0.030 . 1 . . . . 22 LEU HD2 . 10291 1 124 . 1 1 22 22 LEU HD22 H 1 0.485 0.030 . 1 . . . . 22 LEU HD2 . 10291 1 125 . 1 1 22 22 LEU HD23 H 1 0.485 0.030 . 1 . . . . 22 LEU HD2 . 10291 1 126 . 1 1 22 22 LEU HG H 1 1.338 0.030 . 1 . . . . 22 LEU HG . 10291 1 127 . 1 1 22 22 LEU C C 13 178.289 0.300 . 1 . . . . 22 LEU C . 10291 1 128 . 1 1 22 22 LEU CA C 13 58.092 0.300 . 1 . . . . 22 LEU CA . 10291 1 129 . 1 1 22 22 LEU CB C 13 38.551 0.300 . 1 . . . . 22 LEU CB . 10291 1 130 . 1 1 22 22 LEU CD1 C 13 23.886 0.300 . 2 . . . . 22 LEU CD1 . 10291 1 131 . 1 1 22 22 LEU CD2 C 13 23.549 0.300 . 2 . . . . 22 LEU CD2 . 10291 1 132 . 1 1 22 22 LEU CG C 13 25.558 0.300 . 1 . . . . 22 LEU CG . 10291 1 133 . 1 1 22 22 LEU N N 15 120.609 0.300 . 1 . . . . 22 LEU N . 10291 1 134 . 1 1 23 23 ARG H H 1 8.676 0.030 . 1 . . . . 23 ARG H . 10291 1 135 . 1 1 23 23 ARG HA H 1 4.030 0.030 . 1 . . . . 23 ARG HA . 10291 1 136 . 1 1 23 23 ARG HB2 H 1 1.959 0.030 . 1 . . . . 23 ARG HB2 . 10291 1 137 . 1 1 23 23 ARG HB3 H 1 1.959 0.030 . 1 . . . . 23 ARG HB3 . 10291 1 138 . 1 1 23 23 ARG HD2 H 1 3.342 0.030 . 2 . . . . 23 ARG HD2 . 10291 1 139 . 1 1 23 23 ARG HD3 H 1 3.266 0.030 . 2 . . . . 23 ARG HD3 . 10291 1 140 . 1 1 23 23 ARG HG2 H 1 1.705 0.030 . 2 . . . . 23 ARG HG2 . 10291 1 141 . 1 1 23 23 ARG HG3 H 1 1.953 0.030 . 2 . . . . 23 ARG HG3 . 10291 1 142 . 1 1 23 23 ARG C C 13 178.861 0.300 . 1 . . . . 23 ARG C . 10291 1 143 . 1 1 23 23 ARG CA C 13 60.404 0.300 . 1 . . . . 23 ARG CA . 10291 1 144 . 1 1 23 23 ARG CB C 13 30.351 0.300 . 1 . . . . 23 ARG CB . 10291 1 145 . 1 1 23 23 ARG CD C 13 43.738 0.300 . 1 . . . . 23 ARG CD . 10291 1 146 . 1 1 23 23 ARG CG C 13 28.946 0.300 . 1 . . . . 23 ARG CG . 10291 1 147 . 1 1 23 23 ARG N N 15 119.148 0.300 . 1 . . . . 23 ARG N . 10291 1 148 . 1 1 24 24 ASP H H 1 8.515 0.030 . 1 . . . . 24 ASP H . 10291 1 149 . 1 1 24 24 ASP HA H 1 4.519 0.030 . 1 . . . . 24 ASP HA . 10291 1 150 . 1 1 24 24 ASP HB2 H 1 2.895 0.030 . 2 . . . . 24 ASP HB2 . 10291 1 151 . 1 1 24 24 ASP HB3 H 1 2.707 0.030 . 2 . . . . 24 ASP HB3 . 10291 1 152 . 1 1 24 24 ASP C C 13 178.759 0.300 . 1 . . . . 24 ASP C . 10291 1 153 . 1 1 24 24 ASP CA C 13 57.556 0.300 . 1 . . . . 24 ASP CA . 10291 1 154 . 1 1 24 24 ASP CB C 13 40.569 0.300 . 1 . . . . 24 ASP CB . 10291 1 155 . 1 1 24 24 ASP N N 15 120.027 0.300 . 1 . . . . 24 ASP N . 10291 1 156 . 1 1 25 25 TRP H H 1 8.158 0.030 . 1 . . . . 25 TRP H . 10291 1 157 . 1 1 25 25 TRP HA H 1 4.181 0.030 . 1 . . . . 25 TRP HA . 10291 1 158 . 1 1 25 25 TRP HB2 H 1 3.756 0.030 . 2 . . . . 25 TRP HB2 . 10291 1 159 . 1 1 25 25 TRP HB3 H 1 3.400 0.030 . 2 . . . . 25 TRP HB3 . 10291 1 160 . 1 1 25 25 TRP HD1 H 1 7.349 0.030 . 1 . . . . 25 TRP HD1 . 10291 1 161 . 1 1 25 25 TRP HE1 H 1 10.047 0.030 . 1 . . . . 25 TRP HE1 . 10291 1 162 . 1 1 25 25 TRP HE3 H 1 7.410 0.030 . 1 . . . . 25 TRP HE3 . 10291 1 163 . 1 1 25 25 TRP HH2 H 1 6.488 0.030 . 1 . . . . 25 TRP HH2 . 10291 1 164 . 1 1 25 25 TRP HZ2 H 1 6.927 0.030 . 1 . . . . 25 TRP HZ2 . 10291 1 165 . 1 1 25 25 TRP HZ3 H 1 6.673 0.030 . 1 . . . . 25 TRP HZ3 . 10291 1 166 . 1 1 25 25 TRP C C 13 179.946 0.300 . 1 . . . . 25 TRP C . 10291 1 167 . 1 1 25 25 TRP CA C 13 63.346 0.300 . 1 . . . . 25 TRP CA . 10291 1 168 . 1 1 25 25 TRP CB C 13 29.433 0.300 . 1 . . . . 25 TRP CB . 10291 1 169 . 1 1 25 25 TRP CD1 C 13 127.307 0.300 . 1 . . . . 25 TRP CD1 . 10291 1 170 . 1 1 25 25 TRP CE3 C 13 120.761 0.300 . 1 . . . . 25 TRP CE3 . 10291 1 171 . 1 1 25 25 TRP CH2 C 13 123.226 0.300 . 1 . . . . 25 TRP CH2 . 10291 1 172 . 1 1 25 25 TRP CZ2 C 13 113.896 0.300 . 1 . . . . 25 TRP CZ2 . 10291 1 173 . 1 1 25 25 TRP CZ3 C 13 120.823 0.300 . 1 . . . . 25 TRP CZ3 . 10291 1 174 . 1 1 25 25 TRP N N 15 121.350 0.300 . 1 . . . . 25 TRP N . 10291 1 175 . 1 1 25 25 TRP NE1 N 15 129.880 0.300 . 1 . . . . 25 TRP NE1 . 10291 1 176 . 1 1 26 26 MET H H 1 8.977 0.030 . 1 . . . . 26 MET H . 10291 1 177 . 1 1 26 26 MET HA H 1 4.076 0.030 . 1 . . . . 26 MET HA . 10291 1 178 . 1 1 26 26 MET HB2 H 1 2.544 0.030 . 1 . . . . 26 MET HB2 . 10291 1 179 . 1 1 26 26 MET HB3 H 1 2.544 0.030 . 1 . . . . 26 MET HB3 . 10291 1 180 . 1 1 26 26 MET HE1 H 1 2.144 0.030 . 1 . . . . 26 MET HE . 10291 1 181 . 1 1 26 26 MET HE2 H 1 2.144 0.030 . 1 . . . . 26 MET HE . 10291 1 182 . 1 1 26 26 MET HE3 H 1 2.144 0.030 . 1 . . . . 26 MET HE . 10291 1 183 . 1 1 26 26 MET HG2 H 1 2.765 0.030 . 1 . . . . 26 MET HG2 . 10291 1 184 . 1 1 26 26 MET HG3 H 1 2.765 0.030 . 1 . . . . 26 MET HG3 . 10291 1 185 . 1 1 26 26 MET C C 13 177.371 0.300 . 1 . . . . 26 MET C . 10291 1 186 . 1 1 26 26 MET CA C 13 60.454 0.300 . 1 . . . . 26 MET CA . 10291 1 187 . 1 1 26 26 MET CB C 13 33.567 0.300 . 1 . . . . 26 MET CB . 10291 1 188 . 1 1 26 26 MET CE C 13 18.688 0.300 . 1 . . . . 26 MET CE . 10291 1 189 . 1 1 26 26 MET CG C 13 33.134 0.300 . 1 . . . . 26 MET CG . 10291 1 190 . 1 1 26 26 MET N N 15 119.977 0.300 . 1 . . . . 26 MET N . 10291 1 191 . 1 1 27 27 TYR H H 1 8.604 0.030 . 1 . . . . 27 TYR H . 10291 1 192 . 1 1 27 27 TYR HA H 1 4.138 0.030 . 1 . . . . 27 TYR HA . 10291 1 193 . 1 1 27 27 TYR HB2 H 1 3.204 0.030 . 2 . . . . 27 TYR HB2 . 10291 1 194 . 1 1 27 27 TYR HB3 H 1 3.096 0.030 . 2 . . . . 27 TYR HB3 . 10291 1 195 . 1 1 27 27 TYR HD1 H 1 7.140 0.030 . 1 . . . . 27 TYR HD1 . 10291 1 196 . 1 1 27 27 TYR HD2 H 1 7.140 0.030 . 1 . . . . 27 TYR HD2 . 10291 1 197 . 1 1 27 27 TYR HE1 H 1 6.812 0.030 . 1 . . . . 27 TYR HE1 . 10291 1 198 . 1 1 27 27 TYR HE2 H 1 6.812 0.030 . 1 . . . . 27 TYR HE2 . 10291 1 199 . 1 1 27 27 TYR C C 13 178.901 0.300 . 1 . . . . 27 TYR C . 10291 1 200 . 1 1 27 27 TYR CA C 13 61.846 0.300 . 1 . . . . 27 TYR CA . 10291 1 201 . 1 1 27 27 TYR CB C 13 38.165 0.300 . 1 . . . . 27 TYR CB . 10291 1 202 . 1 1 27 27 TYR CD1 C 13 132.800 0.300 . 1 . . . . 27 TYR CD1 . 10291 1 203 . 1 1 27 27 TYR CD2 C 13 132.800 0.300 . 1 . . . . 27 TYR CD2 . 10291 1 204 . 1 1 27 27 TYR CE1 C 13 117.976 0.300 . 1 . . . . 27 TYR CE1 . 10291 1 205 . 1 1 27 27 TYR CE2 C 13 117.976 0.300 . 1 . . . . 27 TYR CE2 . 10291 1 206 . 1 1 27 27 TYR N N 15 117.797 0.300 . 1 . . . . 27 TYR N . 10291 1 207 . 1 1 28 28 LYS H H 1 7.867 0.030 . 1 . . . . 28 LYS H . 10291 1 208 . 1 1 28 28 LYS HA H 1 3.797 0.030 . 1 . . . . 28 LYS HA . 10291 1 209 . 1 1 28 28 LYS HB2 H 1 1.666 0.030 . 2 . . . . 28 LYS HB2 . 10291 1 210 . 1 1 28 28 LYS HB3 H 1 1.486 0.030 . 2 . . . . 28 LYS HB3 . 10291 1 211 . 1 1 28 28 LYS HD2 H 1 1.567 0.030 . 1 . . . . 28 LYS HD2 . 10291 1 212 . 1 1 28 28 LYS HD3 H 1 1.567 0.030 . 1 . . . . 28 LYS HD3 . 10291 1 213 . 1 1 28 28 LYS HE2 H 1 2.933 0.030 . 1 . . . . 28 LYS HE2 . 10291 1 214 . 1 1 28 28 LYS HE3 H 1 2.933 0.030 . 1 . . . . 28 LYS HE3 . 10291 1 215 . 1 1 28 28 LYS HG2 H 1 1.076 0.030 . 2 . . . . 28 LYS HG2 . 10291 1 216 . 1 1 28 28 LYS HG3 H 1 1.377 0.030 . 2 . . . . 28 LYS HG3 . 10291 1 217 . 1 1 28 28 LYS C C 13 176.858 0.300 . 1 . . . . 28 LYS C . 10291 1 218 . 1 1 28 28 LYS CA C 13 58.174 0.300 . 1 . . . . 28 LYS CA . 10291 1 219 . 1 1 28 28 LYS CB C 13 32.516 0.300 . 1 . . . . 28 LYS CB . 10291 1 220 . 1 1 28 28 LYS CD C 13 29.070 0.300 . 1 . . . . 28 LYS CD . 10291 1 221 . 1 1 28 28 LYS CE C 13 42.187 0.300 . 1 . . . . 28 LYS CE . 10291 1 222 . 1 1 28 28 LYS CG C 13 25.624 0.300 . 1 . . . . 28 LYS CG . 10291 1 223 . 1 1 28 28 LYS N N 15 118.982 0.300 . 1 . . . . 28 LYS N . 10291 1 224 . 1 1 29 29 HIS H H 1 7.443 0.030 . 1 . . . . 29 HIS H . 10291 1 225 . 1 1 29 29 HIS HA H 1 4.386 0.030 . 1 . . . . 29 HIS HA . 10291 1 226 . 1 1 29 29 HIS HB2 H 1 2.770 0.030 . 2 . . . . 29 HIS HB2 . 10291 1 227 . 1 1 29 29 HIS HB3 H 1 1.609 0.030 . 2 . . . . 29 HIS HB3 . 10291 1 228 . 1 1 29 29 HIS HD2 H 1 6.378 0.030 . 1 . . . . 29 HIS HD2 . 10291 1 229 . 1 1 29 29 HIS HE1 H 1 7.711 0.030 . 1 . . . . 29 HIS HE1 . 10291 1 230 . 1 1 29 29 HIS C C 13 176.085 0.300 . 1 . . . . 29 HIS C . 10291 1 231 . 1 1 29 29 HIS CA C 13 55.213 0.300 . 1 . . . . 29 HIS CA . 10291 1 232 . 1 1 29 29 HIS CB C 13 27.085 0.300 . 1 . . . . 29 HIS CB . 10291 1 233 . 1 1 29 29 HIS CD2 C 13 121.005 0.300 . 1 . . . . 29 HIS CD2 . 10291 1 234 . 1 1 29 29 HIS CE1 C 13 135.672 0.300 . 1 . . . . 29 HIS CE1 . 10291 1 235 . 1 1 29 29 HIS N N 15 117.138 0.300 . 1 . . . . 29 HIS N . 10291 1 236 . 1 1 30 30 ARG H H 1 6.921 0.030 . 1 . . . . 30 ARG H . 10291 1 237 . 1 1 30 30 ARG HA H 1 3.898 0.030 . 1 . . . . 30 ARG HA . 10291 1 238 . 1 1 30 30 ARG HB2 H 1 1.672 0.030 . 2 . . . . 30 ARG HB2 . 10291 1 239 . 1 1 30 30 ARG HB3 H 1 1.497 0.030 . 2 . . . . 30 ARG HB3 . 10291 1 240 . 1 1 30 30 ARG HD2 H 1 2.666 0.030 . 1 . . . . 30 ARG HD2 . 10291 1 241 . 1 1 30 30 ARG HD3 H 1 2.666 0.030 . 1 . . . . 30 ARG HD3 . 10291 1 242 . 1 1 30 30 ARG HG2 H 1 1.134 0.030 . 2 . . . . 30 ARG HG2 . 10291 1 243 . 1 1 30 30 ARG HG3 H 1 0.579 0.030 . 2 . . . . 30 ARG HG3 . 10291 1 244 . 1 1 30 30 ARG C C 13 175.808 0.300 . 1 . . . . 30 ARG C . 10291 1 245 . 1 1 30 30 ARG CA C 13 58.609 0.300 . 1 . . . . 30 ARG CA . 10291 1 246 . 1 1 30 30 ARG CB C 13 28.739 0.300 . 1 . . . . 30 ARG CB . 10291 1 247 . 1 1 30 30 ARG CD C 13 43.368 0.300 . 1 . . . . 30 ARG CD . 10291 1 248 . 1 1 30 30 ARG CG C 13 25.218 0.300 . 1 . . . . 30 ARG CG . 10291 1 249 . 1 1 30 30 ARG N N 15 117.911 0.300 . 1 . . . . 30 ARG N . 10291 1 250 . 1 1 31 31 PHE H H 1 7.819 0.030 . 1 . . . . 31 PHE H . 10291 1 251 . 1 1 31 31 PHE HA H 1 4.533 0.030 . 1 . . . . 31 PHE HA . 10291 1 252 . 1 1 31 31 PHE HB2 H 1 2.968 0.030 . 2 . . . . 31 PHE HB2 . 10291 1 253 . 1 1 31 31 PHE HB3 H 1 3.344 0.030 . 2 . . . . 31 PHE HB3 . 10291 1 254 . 1 1 31 31 PHE HD1 H 1 7.232 0.030 . 1 . . . . 31 PHE HD1 . 10291 1 255 . 1 1 31 31 PHE HD2 H 1 7.232 0.030 . 1 . . . . 31 PHE HD2 . 10291 1 256 . 1 1 31 31 PHE HE1 H 1 7.314 0.030 . 1 . . . . 31 PHE HE1 . 10291 1 257 . 1 1 31 31 PHE HE2 H 1 7.314 0.030 . 1 . . . . 31 PHE HE2 . 10291 1 258 . 1 1 31 31 PHE HZ H 1 7.278 0.030 . 1 . . . . 31 PHE HZ . 10291 1 259 . 1 1 31 31 PHE C C 13 175.577 0.300 . 1 . . . . 31 PHE C . 10291 1 260 . 1 1 31 31 PHE CA C 13 58.029 0.300 . 1 . . . . 31 PHE CA . 10291 1 261 . 1 1 31 31 PHE CB C 13 37.792 0.300 . 1 . . . . 31 PHE CB . 10291 1 262 . 1 1 31 31 PHE CD1 C 13 131.579 0.300 . 1 . . . . 31 PHE CD1 . 10291 1 263 . 1 1 31 31 PHE CD2 C 13 131.579 0.300 . 1 . . . . 31 PHE CD2 . 10291 1 264 . 1 1 31 31 PHE CE1 C 13 131.538 0.300 . 1 . . . . 31 PHE CE1 . 10291 1 265 . 1 1 31 31 PHE CE2 C 13 131.538 0.300 . 1 . . . . 31 PHE CE2 . 10291 1 266 . 1 1 31 31 PHE CZ C 13 129.702 0.300 . 1 . . . . 31 PHE CZ . 10291 1 267 . 1 1 31 31 PHE N N 15 115.408 0.300 . 1 . . . . 31 PHE N . 10291 1 268 . 1 1 32 32 LYS H H 1 7.858 0.030 . 1 . . . . 32 LYS H . 10291 1 269 . 1 1 32 32 LYS HA H 1 4.487 0.030 . 1 . . . . 32 LYS HA . 10291 1 270 . 1 1 32 32 LYS HB2 H 1 1.924 0.030 . 2 . . . . 32 LYS HB2 . 10291 1 271 . 1 1 32 32 LYS HB3 H 1 1.823 0.030 . 2 . . . . 32 LYS HB3 . 10291 1 272 . 1 1 32 32 LYS HD2 H 1 1.820 0.030 . 2 . . . . 32 LYS HD2 . 10291 1 273 . 1 1 32 32 LYS HE2 H 1 3.100 0.030 . 1 . . . . 32 LYS HE2 . 10291 1 274 . 1 1 32 32 LYS HE3 H 1 3.100 0.030 . 1 . . . . 32 LYS HE3 . 10291 1 275 . 1 1 32 32 LYS HG2 H 1 1.477 0.030 . 1 . . . . 32 LYS HG2 . 10291 1 276 . 1 1 32 32 LYS HG3 H 1 1.477 0.030 . 1 . . . . 32 LYS HG3 . 10291 1 277 . 1 1 32 32 LYS C C 13 175.557 0.300 . 1 . . . . 32 LYS C . 10291 1 278 . 1 1 32 32 LYS CA C 13 56.329 0.300 . 1 . . . . 32 LYS CA . 10291 1 279 . 1 1 32 32 LYS CB C 13 32.743 0.300 . 1 . . . . 32 LYS CB . 10291 1 280 . 1 1 32 32 LYS CD C 13 29.732 0.300 . 1 . . . . 32 LYS CD . 10291 1 281 . 1 1 32 32 LYS CE C 13 42.104 0.300 . 1 . . . . 32 LYS CE . 10291 1 282 . 1 1 32 32 LYS CG C 13 25.139 0.300 . 1 . . . . 32 LYS CG . 10291 1 283 . 1 1 32 32 LYS N N 15 122.453 0.300 . 1 . . . . 32 LYS N . 10291 1 284 . 1 1 33 33 ALA H H 1 8.643 0.030 . 1 . . . . 33 ALA H . 10291 1 285 . 1 1 33 33 ALA HA H 1 4.403 0.030 . 1 . . . . 33 ALA HA . 10291 1 286 . 1 1 33 33 ALA HB1 H 1 1.349 0.030 . 1 . . . . 33 ALA HB . 10291 1 287 . 1 1 33 33 ALA HB2 H 1 1.349 0.030 . 1 . . . . 33 ALA HB . 10291 1 288 . 1 1 33 33 ALA HB3 H 1 1.349 0.030 . 1 . . . . 33 ALA HB . 10291 1 289 . 1 1 33 33 ALA C C 13 176.273 0.300 . 1 . . . . 33 ALA C . 10291 1 290 . 1 1 33 33 ALA CA C 13 53.579 0.300 . 1 . . . . 33 ALA CA . 10291 1 291 . 1 1 33 33 ALA CB C 13 18.653 0.300 . 1 . . . . 33 ALA CB . 10291 1 292 . 1 1 33 33 ALA N N 15 127.853 0.300 . 1 . . . . 33 ALA N . 10291 1 293 . 1 1 34 34 TYR H H 1 7.878 0.030 . 1 . . . . 34 TYR H . 10291 1 294 . 1 1 34 34 TYR HA H 1 4.686 0.030 . 1 . . . . 34 TYR HA . 10291 1 295 . 1 1 34 34 TYR HB2 H 1 2.698 0.030 . 2 . . . . 34 TYR HB2 . 10291 1 296 . 1 1 34 34 TYR HB3 H 1 2.949 0.030 . 2 . . . . 34 TYR HB3 . 10291 1 297 . 1 1 34 34 TYR HD1 H 1 7.054 0.030 . 1 . . . . 34 TYR HD1 . 10291 1 298 . 1 1 34 34 TYR HD2 H 1 7.054 0.030 . 1 . . . . 34 TYR HD2 . 10291 1 299 . 1 1 34 34 TYR HE1 H 1 6.815 0.030 . 1 . . . . 34 TYR HE1 . 10291 1 300 . 1 1 34 34 TYR HE2 H 1 6.815 0.030 . 1 . . . . 34 TYR HE2 . 10291 1 301 . 1 1 34 34 TYR C C 13 173.133 0.300 . 1 . . . . 34 TYR C . 10291 1 302 . 1 1 34 34 TYR CA C 13 54.778 0.300 . 1 . . . . 34 TYR CA . 10291 1 303 . 1 1 34 34 TYR CB C 13 39.619 0.300 . 1 . . . . 34 TYR CB . 10291 1 304 . 1 1 34 34 TYR CD1 C 13 133.576 0.300 . 1 . . . . 34 TYR CD1 . 10291 1 305 . 1 1 34 34 TYR CD2 C 13 133.576 0.300 . 1 . . . . 34 TYR CD2 . 10291 1 306 . 1 1 34 34 TYR CE1 C 13 117.938 0.300 . 1 . . . . 34 TYR CE1 . 10291 1 307 . 1 1 34 34 TYR CE2 C 13 117.938 0.300 . 1 . . . . 34 TYR CE2 . 10291 1 308 . 1 1 34 34 TYR N N 15 116.539 0.300 . 1 . . . . 34 TYR N . 10291 1 309 . 1 1 35 35 PRO HA H 1 4.526 0.030 . 1 . . . . 35 PRO HA . 10291 1 310 . 1 1 35 35 PRO HB2 H 1 0.816 0.030 . 2 . . . . 35 PRO HB2 . 10291 1 311 . 1 1 35 35 PRO HB3 H 1 1.316 0.030 . 2 . . . . 35 PRO HB3 . 10291 1 312 . 1 1 35 35 PRO HD2 H 1 3.004 0.030 . 2 . . . . 35 PRO HD2 . 10291 1 313 . 1 1 35 35 PRO HD3 H 1 2.271 0.030 . 2 . . . . 35 PRO HD3 . 10291 1 314 . 1 1 35 35 PRO HG2 H 1 -0.051 0.030 . 2 . . . . 35 PRO HG2 . 10291 1 315 . 1 1 35 35 PRO HG3 H 1 0.817 0.030 . 2 . . . . 35 PRO HG3 . 10291 1 316 . 1 1 35 35 PRO C C 13 176.837 0.300 . 1 . . . . 35 PRO C . 10291 1 317 . 1 1 35 35 PRO CA C 13 61.864 0.300 . 1 . . . . 35 PRO CA . 10291 1 318 . 1 1 35 35 PRO CB C 13 30.904 0.300 . 1 . . . . 35 PRO CB . 10291 1 319 . 1 1 35 35 PRO CD C 13 49.909 0.300 . 1 . . . . 35 PRO CD . 10291 1 320 . 1 1 35 35 PRO CG C 13 26.036 0.300 . 1 . . . . 35 PRO CG . 10291 1 321 . 1 1 36 36 SER H H 1 9.634 0.030 . 1 . . . . 36 SER H . 10291 1 322 . 1 1 36 36 SER HA H 1 4.518 0.030 . 1 . . . . 36 SER HA . 10291 1 323 . 1 1 36 36 SER HB2 H 1 4.099 0.030 . 2 . . . . 36 SER HB2 . 10291 1 324 . 1 1 36 36 SER HB3 H 1 4.479 0.030 . 2 . . . . 36 SER HB3 . 10291 1 325 . 1 1 36 36 SER C C 13 175.001 0.300 . 1 . . . . 36 SER C . 10291 1 326 . 1 1 36 36 SER CA C 13 57.129 0.300 . 1 . . . . 36 SER CA . 10291 1 327 . 1 1 36 36 SER CB C 13 65.374 0.300 . 1 . . . . 36 SER CB . 10291 1 328 . 1 1 36 36 SER N N 15 119.984 0.300 . 1 . . . . 36 SER N . 10291 1 329 . 1 1 37 37 GLU H H 1 9.091 0.030 . 1 . . . . 37 GLU H . 10291 1 330 . 1 1 37 37 GLU HA H 1 3.884 0.030 . 1 . . . . 37 GLU HA . 10291 1 331 . 1 1 37 37 GLU HB2 H 1 2.106 0.030 . 2 . . . . 37 GLU HB2 . 10291 1 332 . 1 1 37 37 GLU HB3 H 1 2.023 0.030 . 2 . . . . 37 GLU HB3 . 10291 1 333 . 1 1 37 37 GLU HG2 H 1 2.399 0.030 . 1 . . . . 37 GLU HG2 . 10291 1 334 . 1 1 37 37 GLU HG3 H 1 2.399 0.030 . 1 . . . . 37 GLU HG3 . 10291 1 335 . 1 1 37 37 GLU C C 13 179.347 0.300 . 1 . . . . 37 GLU C . 10291 1 336 . 1 1 37 37 GLU CA C 13 60.454 0.300 . 1 . . . . 37 GLU CA . 10291 1 337 . 1 1 37 37 GLU CB C 13 28.623 0.300 . 1 . . . . 37 GLU CB . 10291 1 338 . 1 1 37 37 GLU CG C 13 36.336 0.300 . 1 . . . . 37 GLU CG . 10291 1 339 . 1 1 37 37 GLU N N 15 120.748 0.300 . 1 . . . . 37 GLU N . 10291 1 340 . 1 1 38 38 GLU H H 1 8.760 0.030 . 1 . . . . 38 GLU H . 10291 1 341 . 1 1 38 38 GLU HA H 1 4.048 0.030 . 1 . . . . 38 GLU HA . 10291 1 342 . 1 1 38 38 GLU HB2 H 1 2.064 0.030 . 2 . . . . 38 GLU HB2 . 10291 1 343 . 1 1 38 38 GLU HB3 H 1 1.952 0.030 . 2 . . . . 38 GLU HB3 . 10291 1 344 . 1 1 38 38 GLU HG2 H 1 2.377 0.030 . 2 . . . . 38 GLU HG2 . 10291 1 345 . 1 1 38 38 GLU HG3 H 1 2.301 0.030 . 2 . . . . 38 GLU HG3 . 10291 1 346 . 1 1 38 38 GLU C C 13 179.975 0.300 . 1 . . . . 38 GLU C . 10291 1 347 . 1 1 38 38 GLU CA C 13 60.243 0.300 . 1 . . . . 38 GLU CA . 10291 1 348 . 1 1 38 38 GLU CB C 13 29.117 0.300 . 1 . . . . 38 GLU CB . 10291 1 349 . 1 1 38 38 GLU CG C 13 36.915 0.300 . 1 . . . . 38 GLU CG . 10291 1 350 . 1 1 38 38 GLU N N 15 119.272 0.300 . 1 . . . . 38 GLU N . 10291 1 351 . 1 1 39 39 GLU H H 1 7.856 0.030 . 1 . . . . 39 GLU H . 10291 1 352 . 1 1 39 39 GLU HA H 1 3.976 0.030 . 1 . . . . 39 GLU HA . 10291 1 353 . 1 1 39 39 GLU HB2 H 1 1.473 0.030 . 2 . . . . 39 GLU HB2 . 10291 1 354 . 1 1 39 39 GLU HB3 H 1 2.204 0.030 . 2 . . . . 39 GLU HB3 . 10291 1 355 . 1 1 39 39 GLU HG2 H 1 2.402 0.030 . 1 . . . . 39 GLU HG2 . 10291 1 356 . 1 1 39 39 GLU HG3 H 1 2.402 0.030 . 1 . . . . 39 GLU HG3 . 10291 1 357 . 1 1 39 39 GLU C C 13 178.912 0.300 . 1 . . . . 39 GLU C . 10291 1 358 . 1 1 39 39 GLU CA C 13 59.131 0.300 . 1 . . . . 39 GLU CA . 10291 1 359 . 1 1 39 39 GLU CB C 13 29.612 0.300 . 1 . . . . 39 GLU CB . 10291 1 360 . 1 1 39 39 GLU CG C 13 37.755 0.300 . 1 . . . . 39 GLU CG . 10291 1 361 . 1 1 39 39 GLU N N 15 121.658 0.300 . 1 . . . . 39 GLU N . 10291 1 362 . 1 1 40 40 LYS H H 1 8.653 0.030 . 1 . . . . 40 LYS H . 10291 1 363 . 1 1 40 40 LYS HA H 1 3.508 0.030 . 1 . . . . 40 LYS HA . 10291 1 364 . 1 1 40 40 LYS HB2 H 1 1.586 0.030 . 2 . . . . 40 LYS HB2 . 10291 1 365 . 1 1 40 40 LYS HB3 H 1 1.907 0.030 . 2 . . . . 40 LYS HB3 . 10291 1 366 . 1 1 40 40 LYS HD2 H 1 1.580 0.030 . 1 . . . . 40 LYS HD2 . 10291 1 367 . 1 1 40 40 LYS HD3 H 1 1.580 0.030 . 1 . . . . 40 LYS HD3 . 10291 1 368 . 1 1 40 40 LYS HE2 H 1 2.745 0.030 . 2 . . . . 40 LYS HE2 . 10291 1 369 . 1 1 40 40 LYS HE3 H 1 2.628 0.030 . 2 . . . . 40 LYS HE3 . 10291 1 370 . 1 1 40 40 LYS HG2 H 1 1.398 0.030 . 2 . . . . 40 LYS HG2 . 10291 1 371 . 1 1 40 40 LYS HG3 H 1 0.837 0.030 . 2 . . . . 40 LYS HG3 . 10291 1 372 . 1 1 40 40 LYS C C 13 177.974 0.300 . 1 . . . . 40 LYS C . 10291 1 373 . 1 1 40 40 LYS CA C 13 60.948 0.300 . 1 . . . . 40 LYS CA . 10291 1 374 . 1 1 40 40 LYS CB C 13 32.714 0.300 . 1 . . . . 40 LYS CB . 10291 1 375 . 1 1 40 40 LYS CD C 13 29.974 0.300 . 1 . . . . 40 LYS CD . 10291 1 376 . 1 1 40 40 LYS CE C 13 41.866 0.300 . 1 . . . . 40 LYS CE . 10291 1 377 . 1 1 40 40 LYS CG C 13 26.778 0.300 . 1 . . . . 40 LYS CG . 10291 1 378 . 1 1 40 40 LYS N N 15 119.152 0.300 . 1 . . . . 40 LYS N . 10291 1 379 . 1 1 41 41 GLN H H 1 7.876 0.030 . 1 . . . . 41 GLN H . 10291 1 380 . 1 1 41 41 GLN HA H 1 3.911 0.030 . 1 . . . . 41 GLN HA . 10291 1 381 . 1 1 41 41 GLN HB2 H 1 2.237 0.030 . 2 . . . . 41 GLN HB2 . 10291 1 382 . 1 1 41 41 GLN HB3 H 1 2.149 0.030 . 2 . . . . 41 GLN HB3 . 10291 1 383 . 1 1 41 41 GLN HE21 H 1 7.800 0.030 . 2 . . . . 41 GLN HE21 . 10291 1 384 . 1 1 41 41 GLN HE22 H 1 6.761 0.030 . 2 . . . . 41 GLN HE22 . 10291 1 385 . 1 1 41 41 GLN HG2 H 1 2.460 0.030 . 2 . . . . 41 GLN HG2 . 10291 1 386 . 1 1 41 41 GLN HG3 H 1 2.422 0.030 . 2 . . . . 41 GLN HG3 . 10291 1 387 . 1 1 41 41 GLN C C 13 178.352 0.300 . 1 . . . . 41 GLN C . 10291 1 388 . 1 1 41 41 GLN CA C 13 58.973 0.300 . 1 . . . . 41 GLN CA . 10291 1 389 . 1 1 41 41 GLN CB C 13 27.552 0.300 . 1 . . . . 41 GLN CB . 10291 1 390 . 1 1 41 41 GLN CG C 13 33.116 0.300 . 1 . . . . 41 GLN CG . 10291 1 391 . 1 1 41 41 GLN N N 15 118.910 0.300 . 1 . . . . 41 GLN N . 10291 1 392 . 1 1 41 41 GLN NE2 N 15 112.434 0.300 . 1 . . . . 41 GLN NE2 . 10291 1 393 . 1 1 42 42 MET H H 1 7.771 0.030 . 1 . . . . 42 MET H . 10291 1 394 . 1 1 42 42 MET HA H 1 4.158 0.030 . 1 . . . . 42 MET HA . 10291 1 395 . 1 1 42 42 MET HB2 H 1 2.274 0.030 . 2 . . . . 42 MET HB2 . 10291 1 396 . 1 1 42 42 MET HB3 H 1 2.234 0.030 . 2 . . . . 42 MET HB3 . 10291 1 397 . 1 1 42 42 MET HE1 H 1 2.144 0.030 . 1 . . . . 42 MET HE . 10291 1 398 . 1 1 42 42 MET HE2 H 1 2.144 0.030 . 1 . . . . 42 MET HE . 10291 1 399 . 1 1 42 42 MET HE3 H 1 2.144 0.030 . 1 . . . . 42 MET HE . 10291 1 400 . 1 1 42 42 MET HG2 H 1 2.825 0.030 . 2 . . . . 42 MET HG2 . 10291 1 401 . 1 1 42 42 MET HG3 H 1 2.554 0.030 . 2 . . . . 42 MET HG3 . 10291 1 402 . 1 1 42 42 MET C C 13 179.310 0.300 . 1 . . . . 42 MET C . 10291 1 403 . 1 1 42 42 MET CA C 13 59.079 0.300 . 1 . . . . 42 MET CA . 10291 1 404 . 1 1 42 42 MET CB C 13 31.023 0.300 . 1 . . . . 42 MET CB . 10291 1 405 . 1 1 42 42 MET CE C 13 16.720 0.300 . 1 . . . . 42 MET CE . 10291 1 406 . 1 1 42 42 MET CG C 13 31.593 0.300 . 1 . . . . 42 MET CG . 10291 1 407 . 1 1 42 42 MET N N 15 121.131 0.300 . 1 . . . . 42 MET N . 10291 1 408 . 1 1 43 43 LEU H H 1 8.400 0.030 . 1 . . . . 43 LEU H . 10291 1 409 . 1 1 43 43 LEU HA H 1 3.888 0.030 . 1 . . . . 43 LEU HA . 10291 1 410 . 1 1 43 43 LEU HB2 H 1 1.812 0.030 . 2 . . . . 43 LEU HB2 . 10291 1 411 . 1 1 43 43 LEU HB3 H 1 0.970 0.030 . 2 . . . . 43 LEU HB3 . 10291 1 412 . 1 1 43 43 LEU HD11 H 1 -0.047 0.030 . 1 . . . . 43 LEU HD1 . 10291 1 413 . 1 1 43 43 LEU HD12 H 1 -0.047 0.030 . 1 . . . . 43 LEU HD1 . 10291 1 414 . 1 1 43 43 LEU HD13 H 1 -0.047 0.030 . 1 . . . . 43 LEU HD1 . 10291 1 415 . 1 1 43 43 LEU HD21 H 1 0.619 0.030 . 1 . . . . 43 LEU HD2 . 10291 1 416 . 1 1 43 43 LEU HD22 H 1 0.619 0.030 . 1 . . . . 43 LEU HD2 . 10291 1 417 . 1 1 43 43 LEU HD23 H 1 0.619 0.030 . 1 . . . . 43 LEU HD2 . 10291 1 418 . 1 1 43 43 LEU HG H 1 1.474 0.030 . 1 . . . . 43 LEU HG . 10291 1 419 . 1 1 43 43 LEU C C 13 180.721 0.300 . 1 . . . . 43 LEU C . 10291 1 420 . 1 1 43 43 LEU CA C 13 57.916 0.300 . 1 . . . . 43 LEU CA . 10291 1 421 . 1 1 43 43 LEU CB C 13 42.080 0.300 . 1 . . . . 43 LEU CB . 10291 1 422 . 1 1 43 43 LEU CD1 C 13 24.059 0.300 . 2 . . . . 43 LEU CD1 . 10291 1 423 . 1 1 43 43 LEU CD2 C 13 21.916 0.300 . 2 . . . . 43 LEU CD2 . 10291 1 424 . 1 1 43 43 LEU CG C 13 26.423 0.300 . 1 . . . . 43 LEU CG . 10291 1 425 . 1 1 43 43 LEU N N 15 120.124 0.300 . 1 . . . . 43 LEU N . 10291 1 426 . 1 1 44 44 SER H H 1 8.658 0.030 . 1 . . . . 44 SER H . 10291 1 427 . 1 1 44 44 SER HA H 1 4.088 0.030 . 1 . . . . 44 SER HA . 10291 1 428 . 1 1 44 44 SER HB2 H 1 4.073 0.030 . 2 . . . . 44 SER HB2 . 10291 1 429 . 1 1 44 44 SER HB3 H 1 3.908 0.030 . 2 . . . . 44 SER HB3 . 10291 1 430 . 1 1 44 44 SER C C 13 176.859 0.300 . 1 . . . . 44 SER C . 10291 1 431 . 1 1 44 44 SER CA C 13 61.371 0.300 . 1 . . . . 44 SER CA . 10291 1 432 . 1 1 44 44 SER CB C 13 63.314 0.300 . 1 . . . . 44 SER CB . 10291 1 433 . 1 1 44 44 SER N N 15 119.795 0.300 . 1 . . . . 44 SER N . 10291 1 434 . 1 1 45 45 GLU H H 1 7.905 0.030 . 1 . . . . 45 GLU H . 10291 1 435 . 1 1 45 45 GLU HA H 1 4.094 0.030 . 1 . . . . 45 GLU HA . 10291 1 436 . 1 1 45 45 GLU HB2 H 1 2.236 0.030 . 2 . . . . 45 GLU HB2 . 10291 1 437 . 1 1 45 45 GLU HB3 H 1 2.157 0.030 . 2 . . . . 45 GLU HB3 . 10291 1 438 . 1 1 45 45 GLU HG2 H 1 2.508 0.030 . 2 . . . . 45 GLU HG2 . 10291 1 439 . 1 1 45 45 GLU HG3 H 1 2.286 0.030 . 2 . . . . 45 GLU HG3 . 10291 1 440 . 1 1 45 45 GLU C C 13 179.095 0.300 . 1 . . . . 45 GLU C . 10291 1 441 . 1 1 45 45 GLU CA C 13 59.255 0.300 . 1 . . . . 45 GLU CA . 10291 1 442 . 1 1 45 45 GLU CB C 13 29.200 0.300 . 1 . . . . 45 GLU CB . 10291 1 443 . 1 1 45 45 GLU CG C 13 36.419 0.300 . 1 . . . . 45 GLU CG . 10291 1 444 . 1 1 45 45 GLU N N 15 120.609 0.300 . 1 . . . . 45 GLU N . 10291 1 445 . 1 1 46 46 LYS H H 1 7.837 0.030 . 1 . . . . 46 LYS H . 10291 1 446 . 1 1 46 46 LYS HA H 1 4.231 0.030 . 1 . . . . 46 LYS HA . 10291 1 447 . 1 1 46 46 LYS HB2 H 1 1.922 0.030 . 1 . . . . 46 LYS HB2 . 10291 1 448 . 1 1 46 46 LYS HB3 H 1 1.922 0.030 . 1 . . . . 46 LYS HB3 . 10291 1 449 . 1 1 46 46 LYS HD2 H 1 1.686 0.030 . 2 . . . . 46 LYS HD2 . 10291 1 450 . 1 1 46 46 LYS HE2 H 1 3.034 0.030 . 2 . . . . 46 LYS HE2 . 10291 1 451 . 1 1 46 46 LYS HG2 H 1 1.686 0.030 . 2 . . . . 46 LYS HG2 . 10291 1 452 . 1 1 46 46 LYS HG3 H 1 1.594 0.030 . 2 . . . . 46 LYS HG3 . 10291 1 453 . 1 1 46 46 LYS C C 13 177.964 0.300 . 1 . . . . 46 LYS C . 10291 1 454 . 1 1 46 46 LYS CA C 13 58.278 0.300 . 1 . . . . 46 LYS CA . 10291 1 455 . 1 1 46 46 LYS CB C 13 34.110 0.300 . 1 . . . . 46 LYS CB . 10291 1 456 . 1 1 46 46 LYS CD C 13 29.140 0.300 . 1 . . . . 46 LYS CD . 10291 1 457 . 1 1 46 46 LYS CE C 13 42.148 0.300 . 1 . . . . 46 LYS CE . 10291 1 458 . 1 1 46 46 LYS CG C 13 25.459 0.300 . 1 . . . . 46 LYS CG . 10291 1 459 . 1 1 46 46 LYS N N 15 115.471 0.300 . 1 . . . . 46 LYS N . 10291 1 460 . 1 1 47 47 THR H H 1 7.763 0.030 . 1 . . . . 47 THR H . 10291 1 461 . 1 1 47 47 THR HA H 1 4.271 0.030 . 1 . . . . 47 THR HA . 10291 1 462 . 1 1 47 47 THR HB H 1 4.097 0.030 . 1 . . . . 47 THR HB . 10291 1 463 . 1 1 47 47 THR HG21 H 1 1.204 0.030 . 1 . . . . 47 THR HG2 . 10291 1 464 . 1 1 47 47 THR HG22 H 1 1.204 0.030 . 1 . . . . 47 THR HG2 . 10291 1 465 . 1 1 47 47 THR HG23 H 1 1.204 0.030 . 1 . . . . 47 THR HG2 . 10291 1 466 . 1 1 47 47 THR C C 13 175.472 0.300 . 1 . . . . 47 THR C . 10291 1 467 . 1 1 47 47 THR CA C 13 62.429 0.300 . 1 . . . . 47 THR CA . 10291 1 468 . 1 1 47 47 THR CB C 13 71.966 0.300 . 1 . . . . 47 THR CB . 10291 1 469 . 1 1 47 47 THR CG2 C 13 21.999 0.300 . 1 . . . . 47 THR CG2 . 10291 1 470 . 1 1 47 47 THR N N 15 104.286 0.300 . 1 . . . . 47 THR N . 10291 1 471 . 1 1 48 48 ASN H H 1 8.169 0.030 . 1 . . . . 48 ASN H . 10291 1 472 . 1 1 48 48 ASN HA H 1 4.437 0.030 . 1 . . . . 48 ASN HA . 10291 1 473 . 1 1 48 48 ASN HB2 H 1 2.901 0.030 . 2 . . . . 48 ASN HB2 . 10291 1 474 . 1 1 48 48 ASN HB3 H 1 3.145 0.030 . 2 . . . . 48 ASN HB3 . 10291 1 475 . 1 1 48 48 ASN HD21 H 1 7.494 0.030 . 2 . . . . 48 ASN HD21 . 10291 1 476 . 1 1 48 48 ASN HD22 H 1 6.818 0.030 . 2 . . . . 48 ASN HD22 . 10291 1 477 . 1 1 48 48 ASN C C 13 173.874 0.300 . 1 . . . . 48 ASN C . 10291 1 478 . 1 1 48 48 ASN CA C 13 55.377 0.300 . 1 . . . . 48 ASN CA . 10291 1 479 . 1 1 48 48 ASN CB C 13 37.770 0.300 . 1 . . . . 48 ASN CB . 10291 1 480 . 1 1 48 48 ASN N N 15 117.458 0.300 . 1 . . . . 48 ASN N . 10291 1 481 . 1 1 48 48 ASN ND2 N 15 112.461 0.300 . 1 . . . . 48 ASN ND2 . 10291 1 482 . 1 1 49 49 LEU H H 1 7.532 0.030 . 1 . . . . 49 LEU H . 10291 1 483 . 1 1 49 49 LEU HA H 1 4.733 0.030 . 1 . . . . 49 LEU HA . 10291 1 484 . 1 1 49 49 LEU HB2 H 1 1.343 0.030 . 2 . . . . 49 LEU HB2 . 10291 1 485 . 1 1 49 49 LEU HB3 H 1 1.675 0.030 . 2 . . . . 49 LEU HB3 . 10291 1 486 . 1 1 49 49 LEU HD11 H 1 0.651 0.030 . 1 . . . . 49 LEU HD1 . 10291 1 487 . 1 1 49 49 LEU HD12 H 1 0.651 0.030 . 1 . . . . 49 LEU HD1 . 10291 1 488 . 1 1 49 49 LEU HD13 H 1 0.651 0.030 . 1 . . . . 49 LEU HD1 . 10291 1 489 . 1 1 49 49 LEU HD21 H 1 0.857 0.030 . 1 . . . . 49 LEU HD2 . 10291 1 490 . 1 1 49 49 LEU HD22 H 1 0.857 0.030 . 1 . . . . 49 LEU HD2 . 10291 1 491 . 1 1 49 49 LEU HD23 H 1 0.857 0.030 . 1 . . . . 49 LEU HD2 . 10291 1 492 . 1 1 49 49 LEU HG H 1 1.540 0.030 . 1 . . . . 49 LEU HG . 10291 1 493 . 1 1 49 49 LEU C C 13 176.625 0.300 . 1 . . . . 49 LEU C . 10291 1 494 . 1 1 49 49 LEU CA C 13 53.226 0.300 . 1 . . . . 49 LEU CA . 10291 1 495 . 1 1 49 49 LEU CB C 13 44.114 0.300 . 1 . . . . 49 LEU CB . 10291 1 496 . 1 1 49 49 LEU CD1 C 13 26.531 0.300 . 2 . . . . 49 LEU CD1 . 10291 1 497 . 1 1 49 49 LEU CD2 C 13 23.317 0.300 . 2 . . . . 49 LEU CD2 . 10291 1 498 . 1 1 49 49 LEU CG C 13 26.615 0.300 . 1 . . . . 49 LEU CG . 10291 1 499 . 1 1 49 49 LEU N N 15 118.220 0.300 . 1 . . . . 49 LEU N . 10291 1 500 . 1 1 50 50 SER H H 1 9.140 0.030 . 1 . . . . 50 SER H . 10291 1 501 . 1 1 50 50 SER HA H 1 4.475 0.030 . 1 . . . . 50 SER HA . 10291 1 502 . 1 1 50 50 SER HB2 H 1 4.022 0.030 . 2 . . . . 50 SER HB2 . 10291 1 503 . 1 1 50 50 SER HB3 H 1 4.418 0.030 . 2 . . . . 50 SER HB3 . 10291 1 504 . 1 1 50 50 SER C C 13 174.907 0.300 . 1 . . . . 50 SER C . 10291 1 505 . 1 1 50 50 SER CA C 13 56.964 0.300 . 1 . . . . 50 SER CA . 10291 1 506 . 1 1 50 50 SER CB C 13 65.372 0.300 . 1 . . . . 50 SER CB . 10291 1 507 . 1 1 50 50 SER N N 15 117.569 0.300 . 1 . . . . 50 SER N . 10291 1 508 . 1 1 51 51 LEU H H 1 8.756 0.030 . 1 . . . . 51 LEU H . 10291 1 509 . 1 1 51 51 LEU HA H 1 3.874 0.030 . 1 . . . . 51 LEU HA . 10291 1 510 . 1 1 51 51 LEU HB2 H 1 1.594 0.030 . 2 . . . . 51 LEU HB2 . 10291 1 511 . 1 1 51 51 LEU HB3 H 1 1.776 0.030 . 2 . . . . 51 LEU HB3 . 10291 1 512 . 1 1 51 51 LEU HD11 H 1 0.968 0.030 . 1 . . . . 51 LEU HD1 . 10291 1 513 . 1 1 51 51 LEU HD12 H 1 0.968 0.030 . 1 . . . . 51 LEU HD1 . 10291 1 514 . 1 1 51 51 LEU HD13 H 1 0.968 0.030 . 1 . . . . 51 LEU HD1 . 10291 1 515 . 1 1 51 51 LEU HD21 H 1 0.835 0.030 . 1 . . . . 51 LEU HD2 . 10291 1 516 . 1 1 51 51 LEU HD22 H 1 0.835 0.030 . 1 . . . . 51 LEU HD2 . 10291 1 517 . 1 1 51 51 LEU HD23 H 1 0.835 0.030 . 1 . . . . 51 LEU HD2 . 10291 1 518 . 1 1 51 51 LEU HG H 1 1.781 0.030 . 1 . . . . 51 LEU HG . 10291 1 519 . 1 1 51 51 LEU C C 13 179.910 0.300 . 1 . . . . 51 LEU C . 10291 1 520 . 1 1 51 51 LEU CA C 13 58.916 0.300 . 1 . . . . 51 LEU CA . 10291 1 521 . 1 1 51 51 LEU CB C 13 41.148 0.300 . 1 . . . . 51 LEU CB . 10291 1 522 . 1 1 51 51 LEU CD1 C 13 25.077 0.300 . 2 . . . . 51 LEU CD1 . 10291 1 523 . 1 1 51 51 LEU CD2 C 13 23.541 0.300 . 2 . . . . 51 LEU CD2 . 10291 1 524 . 1 1 51 51 LEU CG C 13 27.774 0.300 . 1 . . . . 51 LEU CG . 10291 1 525 . 1 1 51 51 LEU N N 15 120.905 0.300 . 1 . . . . 51 LEU N . 10291 1 526 . 1 1 52 52 LEU H H 1 8.146 0.030 . 1 . . . . 52 LEU H . 10291 1 527 . 1 1 52 52 LEU HA H 1 4.179 0.030 . 1 . . . . 52 LEU HA . 10291 1 528 . 1 1 52 52 LEU HB2 H 1 1.626 0.030 . 1 . . . . 52 LEU HB2 . 10291 1 529 . 1 1 52 52 LEU HB3 H 1 1.626 0.030 . 1 . . . . 52 LEU HB3 . 10291 1 530 . 1 1 52 52 LEU HD11 H 1 0.959 0.030 . 1 . . . . 52 LEU HD1 . 10291 1 531 . 1 1 52 52 LEU HD12 H 1 0.959 0.030 . 1 . . . . 52 LEU HD1 . 10291 1 532 . 1 1 52 52 LEU HD13 H 1 0.959 0.030 . 1 . . . . 52 LEU HD1 . 10291 1 533 . 1 1 52 52 LEU HD21 H 1 0.910 0.030 . 1 . . . . 52 LEU HD2 . 10291 1 534 . 1 1 52 52 LEU HD22 H 1 0.910 0.030 . 1 . . . . 52 LEU HD2 . 10291 1 535 . 1 1 52 52 LEU HD23 H 1 0.910 0.030 . 1 . . . . 52 LEU HD2 . 10291 1 536 . 1 1 52 52 LEU HG H 1 1.615 0.030 . 1 . . . . 52 LEU HG . 10291 1 537 . 1 1 52 52 LEU C C 13 178.936 0.300 . 1 . . . . 52 LEU C . 10291 1 538 . 1 1 52 52 LEU CA C 13 58.162 0.300 . 1 . . . . 52 LEU CA . 10291 1 539 . 1 1 52 52 LEU CB C 13 42.137 0.300 . 1 . . . . 52 LEU CB . 10291 1 540 . 1 1 52 52 LEU CD1 C 13 23.870 0.300 . 2 . . . . 52 LEU CD1 . 10291 1 541 . 1 1 52 52 LEU CD2 C 13 24.883 0.300 . 2 . . . . 52 LEU CD2 . 10291 1 542 . 1 1 52 52 LEU CG C 13 26.941 0.300 . 1 . . . . 52 LEU CG . 10291 1 543 . 1 1 52 52 LEU N N 15 120.685 0.300 . 1 . . . . 52 LEU N . 10291 1 544 . 1 1 53 53 GLN H H 1 7.924 0.030 . 1 . . . . 53 GLN H . 10291 1 545 . 1 1 53 53 GLN HA H 1 4.102 0.030 . 1 . . . . 53 GLN HA . 10291 1 546 . 1 1 53 53 GLN HB2 H 1 1.837 0.030 . 2 . . . . 53 GLN HB2 . 10291 1 547 . 1 1 53 53 GLN HB3 H 1 2.552 0.030 . 2 . . . . 53 GLN HB3 . 10291 1 548 . 1 1 53 53 GLN HE21 H 1 7.663 0.030 . 2 . . . . 53 GLN HE21 . 10291 1 549 . 1 1 53 53 GLN HE22 H 1 7.012 0.030 . 2 . . . . 53 GLN HE22 . 10291 1 550 . 1 1 53 53 GLN HG2 H 1 2.487 0.030 . 1 . . . . 53 GLN HG2 . 10291 1 551 . 1 1 53 53 GLN HG3 H 1 2.487 0.030 . 1 . . . . 53 GLN HG3 . 10291 1 552 . 1 1 53 53 GLN C C 13 180.308 0.300 . 1 . . . . 53 GLN C . 10291 1 553 . 1 1 53 53 GLN CA C 13 59.326 0.300 . 1 . . . . 53 GLN CA . 10291 1 554 . 1 1 53 53 GLN CB C 13 29.900 0.300 . 1 . . . . 53 GLN CB . 10291 1 555 . 1 1 53 53 GLN CG C 13 35.430 0.300 . 1 . . . . 53 GLN CG . 10291 1 556 . 1 1 53 53 GLN N N 15 118.473 0.300 . 1 . . . . 53 GLN N . 10291 1 557 . 1 1 53 53 GLN NE2 N 15 113.238 0.300 . 1 . . . . 53 GLN NE2 . 10291 1 558 . 1 1 54 54 ILE H H 1 8.380 0.030 . 1 . . . . 54 ILE H . 10291 1 559 . 1 1 54 54 ILE HA H 1 3.677 0.030 . 1 . . . . 54 ILE HA . 10291 1 560 . 1 1 54 54 ILE HB H 1 2.075 0.030 . 1 . . . . 54 ILE HB . 10291 1 561 . 1 1 54 54 ILE HD11 H 1 0.630 0.030 . 1 . . . . 54 ILE HD1 . 10291 1 562 . 1 1 54 54 ILE HD12 H 1 0.630 0.030 . 1 . . . . 54 ILE HD1 . 10291 1 563 . 1 1 54 54 ILE HD13 H 1 0.630 0.030 . 1 . . . . 54 ILE HD1 . 10291 1 564 . 1 1 54 54 ILE HG12 H 1 1.544 0.030 . 2 . . . . 54 ILE HG12 . 10291 1 565 . 1 1 54 54 ILE HG13 H 1 1.135 0.030 . 2 . . . . 54 ILE HG13 . 10291 1 566 . 1 1 54 54 ILE HG21 H 1 0.977 0.030 . 1 . . . . 54 ILE HG2 . 10291 1 567 . 1 1 54 54 ILE HG22 H 1 0.977 0.030 . 1 . . . . 54 ILE HG2 . 10291 1 568 . 1 1 54 54 ILE HG23 H 1 0.977 0.030 . 1 . . . . 54 ILE HG2 . 10291 1 569 . 1 1 54 54 ILE C C 13 177.673 0.300 . 1 . . . . 54 ILE C . 10291 1 570 . 1 1 54 54 ILE CA C 13 64.650 0.300 . 1 . . . . 54 ILE CA . 10291 1 571 . 1 1 54 54 ILE CB C 13 37.476 0.300 . 1 . . . . 54 ILE CB . 10291 1 572 . 1 1 54 54 ILE CD1 C 13 12.440 0.300 . 1 . . . . 54 ILE CD1 . 10291 1 573 . 1 1 54 54 ILE CG1 C 13 29.085 0.300 . 1 . . . . 54 ILE CG1 . 10291 1 574 . 1 1 54 54 ILE CG2 C 13 17.714 0.300 . 1 . . . . 54 ILE CG2 . 10291 1 575 . 1 1 54 54 ILE N N 15 120.113 0.300 . 1 . . . . 54 ILE N . 10291 1 576 . 1 1 55 55 SER H H 1 8.854 0.030 . 1 . . . . 55 SER H . 10291 1 577 . 1 1 55 55 SER HA H 1 4.267 0.030 . 1 . . . . 55 SER HA . 10291 1 578 . 1 1 55 55 SER HB2 H 1 4.140 0.030 . 2 . . . . 55 SER HB2 . 10291 1 579 . 1 1 55 55 SER HB3 H 1 4.015 0.030 . 2 . . . . 55 SER HB3 . 10291 1 580 . 1 1 55 55 SER C C 13 177.127 0.300 . 1 . . . . 55 SER C . 10291 1 581 . 1 1 55 55 SER CA C 13 62.852 0.300 . 1 . . . . 55 SER CA . 10291 1 582 . 1 1 55 55 SER CB C 13 62.727 0.300 . 1 . . . . 55 SER CB . 10291 1 583 . 1 1 55 55 SER N N 15 116.646 0.300 . 1 . . . . 55 SER N . 10291 1 584 . 1 1 56 56 ASN H H 1 8.634 0.030 . 1 . . . . 56 ASN H . 10291 1 585 . 1 1 56 56 ASN HA H 1 4.549 0.030 . 1 . . . . 56 ASN HA . 10291 1 586 . 1 1 56 56 ASN HB2 H 1 2.966 0.030 . 2 . . . . 56 ASN HB2 . 10291 1 587 . 1 1 56 56 ASN HB3 H 1 2.804 0.030 . 2 . . . . 56 ASN HB3 . 10291 1 588 . 1 1 56 56 ASN HD21 H 1 7.651 0.030 . 2 . . . . 56 ASN HD21 . 10291 1 589 . 1 1 56 56 ASN HD22 H 1 6.889 0.030 . 2 . . . . 56 ASN HD22 . 10291 1 590 . 1 1 56 56 ASN C C 13 177.481 0.300 . 1 . . . . 56 ASN C . 10291 1 591 . 1 1 56 56 ASN CA C 13 55.951 0.300 . 1 . . . . 56 ASN CA . 10291 1 592 . 1 1 56 56 ASN CB C 13 37.852 0.300 . 1 . . . . 56 ASN CB . 10291 1 593 . 1 1 56 56 ASN N N 15 119.048 0.300 . 1 . . . . 56 ASN N . 10291 1 594 . 1 1 56 56 ASN ND2 N 15 111.948 0.300 . 1 . . . . 56 ASN ND2 . 10291 1 595 . 1 1 57 57 TRP H H 1 8.373 0.030 . 1 . . . . 57 TRP H . 10291 1 596 . 1 1 57 57 TRP HA H 1 4.065 0.030 . 1 . . . . 57 TRP HA . 10291 1 597 . 1 1 57 57 TRP HB2 H 1 3.376 0.030 . 2 . . . . 57 TRP HB2 . 10291 1 598 . 1 1 57 57 TRP HB3 H 1 3.185 0.030 . 2 . . . . 57 TRP HB3 . 10291 1 599 . 1 1 57 57 TRP HD1 H 1 7.054 0.030 . 1 . . . . 57 TRP HD1 . 10291 1 600 . 1 1 57 57 TRP HE1 H 1 9.911 0.030 . 1 . . . . 57 TRP HE1 . 10291 1 601 . 1 1 57 57 TRP HE3 H 1 6.161 0.030 . 1 . . . . 57 TRP HE3 . 10291 1 602 . 1 1 57 57 TRP HH2 H 1 6.654 0.030 . 1 . . . . 57 TRP HH2 . 10291 1 603 . 1 1 57 57 TRP HZ2 H 1 7.137 0.030 . 1 . . . . 57 TRP HZ2 . 10291 1 604 . 1 1 57 57 TRP HZ3 H 1 6.105 0.030 . 1 . . . . 57 TRP HZ3 . 10291 1 605 . 1 1 57 57 TRP C C 13 179.392 0.300 . 1 . . . . 57 TRP C . 10291 1 606 . 1 1 57 57 TRP CA C 13 63.204 0.300 . 1 . . . . 57 TRP CA . 10291 1 607 . 1 1 57 57 TRP CB C 13 28.376 0.300 . 1 . . . . 57 TRP CB . 10291 1 608 . 1 1 57 57 TRP CD1 C 13 126.966 0.300 . 1 . . . . 57 TRP CD1 . 10291 1 609 . 1 1 57 57 TRP CE3 C 13 120.467 0.300 . 1 . . . . 57 TRP CE3 . 10291 1 610 . 1 1 57 57 TRP CH2 C 13 123.360 0.300 . 1 . . . . 57 TRP CH2 . 10291 1 611 . 1 1 57 57 TRP CZ2 C 13 113.739 0.300 . 1 . . . . 57 TRP CZ2 . 10291 1 612 . 1 1 57 57 TRP CZ3 C 13 122.437 0.300 . 1 . . . . 57 TRP CZ3 . 10291 1 613 . 1 1 57 57 TRP N N 15 122.950 0.300 . 1 . . . . 57 TRP N . 10291 1 614 . 1 1 57 57 TRP NE1 N 15 128.696 0.300 . 1 . . . . 57 TRP NE1 . 10291 1 615 . 1 1 58 58 PHE H H 1 8.428 0.030 . 1 . . . . 58 PHE H . 10291 1 616 . 1 1 58 58 PHE HA H 1 3.922 0.030 . 1 . . . . 58 PHE HA . 10291 1 617 . 1 1 58 58 PHE HB2 H 1 3.305 0.030 . 2 . . . . 58 PHE HB2 . 10291 1 618 . 1 1 58 58 PHE HB3 H 1 3.213 0.030 . 2 . . . . 58 PHE HB3 . 10291 1 619 . 1 1 58 58 PHE HD1 H 1 7.635 0.030 . 1 . . . . 58 PHE HD1 . 10291 1 620 . 1 1 58 58 PHE HD2 H 1 7.635 0.030 . 1 . . . . 58 PHE HD2 . 10291 1 621 . 1 1 58 58 PHE HE1 H 1 7.249 0.030 . 1 . . . . 58 PHE HE1 . 10291 1 622 . 1 1 58 58 PHE HE2 H 1 7.249 0.030 . 1 . . . . 58 PHE HE2 . 10291 1 623 . 1 1 58 58 PHE HZ H 1 7.009 0.030 . 1 . . . . 58 PHE HZ . 10291 1 624 . 1 1 58 58 PHE C C 13 178.237 0.300 . 1 . . . . 58 PHE C . 10291 1 625 . 1 1 58 58 PHE CA C 13 64.015 0.300 . 1 . . . . 58 PHE CA . 10291 1 626 . 1 1 58 58 PHE CB C 13 39.602 0.300 . 1 . . . . 58 PHE CB . 10291 1 627 . 1 1 58 58 PHE CD1 C 13 131.940 0.300 . 1 . . . . 58 PHE CD1 . 10291 1 628 . 1 1 58 58 PHE CD2 C 13 131.940 0.300 . 1 . . . . 58 PHE CD2 . 10291 1 629 . 1 1 58 58 PHE CE1 C 13 131.312 0.300 . 1 . . . . 58 PHE CE1 . 10291 1 630 . 1 1 58 58 PHE CE2 C 13 131.312 0.300 . 1 . . . . 58 PHE CE2 . 10291 1 631 . 1 1 58 58 PHE CZ C 13 129.890 0.300 . 1 . . . . 58 PHE CZ . 10291 1 632 . 1 1 58 58 PHE N N 15 116.774 0.300 . 1 . . . . 58 PHE N . 10291 1 633 . 1 1 59 59 ILE H H 1 7.925 0.030 . 1 . . . . 59 ILE H . 10291 1 634 . 1 1 59 59 ILE HA H 1 3.773 0.030 . 1 . . . . 59 ILE HA . 10291 1 635 . 1 1 59 59 ILE HB H 1 1.903 0.030 . 1 . . . . 59 ILE HB . 10291 1 636 . 1 1 59 59 ILE HD11 H 1 0.910 0.030 . 1 . . . . 59 ILE HD1 . 10291 1 637 . 1 1 59 59 ILE HD12 H 1 0.910 0.030 . 1 . . . . 59 ILE HD1 . 10291 1 638 . 1 1 59 59 ILE HD13 H 1 0.910 0.030 . 1 . . . . 59 ILE HD1 . 10291 1 639 . 1 1 59 59 ILE HG12 H 1 1.161 0.030 . 2 . . . . 59 ILE HG12 . 10291 1 640 . 1 1 59 59 ILE HG13 H 1 1.858 0.030 . 2 . . . . 59 ILE HG13 . 10291 1 641 . 1 1 59 59 ILE HG21 H 1 0.923 0.030 . 1 . . . . 59 ILE HG2 . 10291 1 642 . 1 1 59 59 ILE HG22 H 1 0.923 0.030 . 1 . . . . 59 ILE HG2 . 10291 1 643 . 1 1 59 59 ILE HG23 H 1 0.923 0.030 . 1 . . . . 59 ILE HG2 . 10291 1 644 . 1 1 59 59 ILE C C 13 178.745 0.300 . 1 . . . . 59 ILE C . 10291 1 645 . 1 1 59 59 ILE CA C 13 65.531 0.300 . 1 . . . . 59 ILE CA . 10291 1 646 . 1 1 59 59 ILE CB C 13 38.480 0.300 . 1 . . . . 59 ILE CB . 10291 1 647 . 1 1 59 59 ILE CD1 C 13 13.346 0.300 . 1 . . . . 59 ILE CD1 . 10291 1 648 . 1 1 59 59 ILE CG1 C 13 29.457 0.300 . 1 . . . . 59 ILE CG1 . 10291 1 649 . 1 1 59 59 ILE CG2 C 13 16.894 0.300 . 1 . . . . 59 ILE CG2 . 10291 1 650 . 1 1 59 59 ILE N N 15 119.560 0.300 . 1 . . . . 59 ILE N . 10291 1 651 . 1 1 60 60 ASN H H 1 7.506 0.030 . 1 . . . . 60 ASN H . 10291 1 652 . 1 1 60 60 ASN HA H 1 4.407 0.030 . 1 . . . . 60 ASN HA . 10291 1 653 . 1 1 60 60 ASN HB2 H 1 2.653 0.030 . 2 . . . . 60 ASN HB2 . 10291 1 654 . 1 1 60 60 ASN HB3 H 1 2.582 0.030 . 2 . . . . 60 ASN HB3 . 10291 1 655 . 1 1 60 60 ASN HD21 H 1 7.502 0.030 . 2 . . . . 60 ASN HD21 . 10291 1 656 . 1 1 60 60 ASN HD22 H 1 6.931 0.030 . 2 . . . . 60 ASN HD22 . 10291 1 657 . 1 1 60 60 ASN C C 13 177.163 0.300 . 1 . . . . 60 ASN C . 10291 1 658 . 1 1 60 60 ASN CA C 13 55.871 0.300 . 1 . . . . 60 ASN CA . 10291 1 659 . 1 1 60 60 ASN CB C 13 38.878 0.300 . 1 . . . . 60 ASN CB . 10291 1 660 . 1 1 60 60 ASN N N 15 116.868 0.300 . 1 . . . . 60 ASN N . 10291 1 661 . 1 1 60 60 ASN ND2 N 15 114.239 0.300 . 1 . . . . 60 ASN ND2 . 10291 1 662 . 1 1 61 61 ALA H H 1 8.410 0.030 . 1 . . . . 61 ALA H . 10291 1 663 . 1 1 61 61 ALA HA H 1 3.667 0.030 . 1 . . . . 61 ALA HA . 10291 1 664 . 1 1 61 61 ALA HB1 H 1 0.396 0.030 . 1 . . . . 61 ALA HB . 10291 1 665 . 1 1 61 61 ALA HB2 H 1 0.396 0.030 . 1 . . . . 61 ALA HB . 10291 1 666 . 1 1 61 61 ALA HB3 H 1 0.396 0.030 . 1 . . . . 61 ALA HB . 10291 1 667 . 1 1 61 61 ALA C C 13 180.061 0.300 . 1 . . . . 61 ALA C . 10291 1 668 . 1 1 61 61 ALA CA C 13 54.601 0.300 . 1 . . . . 61 ALA CA . 10291 1 669 . 1 1 61 61 ALA CB C 13 18.241 0.300 . 1 . . . . 61 ALA CB . 10291 1 670 . 1 1 61 61 ALA N N 15 123.022 0.300 . 1 . . . . 61 ALA N . 10291 1 671 . 1 1 62 62 ARG H H 1 8.036 0.030 . 1 . . . . 62 ARG H . 10291 1 672 . 1 1 62 62 ARG HA H 1 4.092 0.030 . 1 . . . . 62 ARG HA . 10291 1 673 . 1 1 62 62 ARG HB2 H 1 1.995 0.030 . 2 . . . . 62 ARG HB2 . 10291 1 674 . 1 1 62 62 ARG HB3 H 1 1.902 0.030 . 2 . . . . 62 ARG HB3 . 10291 1 675 . 1 1 62 62 ARG HD2 H 1 3.055 0.030 . 1 . . . . 62 ARG HD2 . 10291 1 676 . 1 1 62 62 ARG HD3 H 1 3.055 0.030 . 1 . . . . 62 ARG HD3 . 10291 1 677 . 1 1 62 62 ARG HG2 H 1 1.564 0.030 . 2 . . . . 62 ARG HG2 . 10291 1 678 . 1 1 62 62 ARG HG3 H 1 1.943 0.030 . 2 . . . . 62 ARG HG3 . 10291 1 679 . 1 1 62 62 ARG C C 13 176.756 0.300 . 1 . . . . 62 ARG C . 10291 1 680 . 1 1 62 62 ARG CA C 13 58.762 0.300 . 1 . . . . 62 ARG CA . 10291 1 681 . 1 1 62 62 ARG CB C 13 30.601 0.300 . 1 . . . . 62 ARG CB . 10291 1 682 . 1 1 62 62 ARG CD C 13 43.333 0.300 . 1 . . . . 62 ARG CD . 10291 1 683 . 1 1 62 62 ARG CG C 13 29.003 0.300 . 1 . . . . 62 ARG CG . 10291 1 684 . 1 1 62 62 ARG N N 15 117.168 0.300 . 1 . . . . 62 ARG N . 10291 1 685 . 1 1 63 63 ARG H H 1 7.214 0.030 . 1 . . . . 63 ARG H . 10291 1 686 . 1 1 63 63 ARG HA H 1 4.249 0.030 . 1 . . . . 63 ARG HA . 10291 1 687 . 1 1 63 63 ARG HB2 H 1 1.909 0.030 . 1 . . . . 63 ARG HB2 . 10291 1 688 . 1 1 63 63 ARG HB3 H 1 1.909 0.030 . 1 . . . . 63 ARG HB3 . 10291 1 689 . 1 1 63 63 ARG HD2 H 1 3.218 0.030 . 1 . . . . 63 ARG HD2 . 10291 1 690 . 1 1 63 63 ARG HD3 H 1 3.218 0.030 . 1 . . . . 63 ARG HD3 . 10291 1 691 . 1 1 63 63 ARG HG2 H 1 1.780 0.030 . 2 . . . . 63 ARG HG2 . 10291 1 692 . 1 1 63 63 ARG HG3 H 1 1.635 0.030 . 2 . . . . 63 ARG HG3 . 10291 1 693 . 1 1 63 63 ARG C C 13 176.945 0.300 . 1 . . . . 63 ARG C . 10291 1 694 . 1 1 63 63 ARG CA C 13 57.669 0.300 . 1 . . . . 63 ARG CA . 10291 1 695 . 1 1 63 63 ARG CB C 13 30.765 0.300 . 1 . . . . 63 ARG CB . 10291 1 696 . 1 1 63 63 ARG CD C 13 43.487 0.300 . 1 . . . . 63 ARG CD . 10291 1 697 . 1 1 63 63 ARG CG C 13 27.519 0.300 . 1 . . . . 63 ARG CG . 10291 1 698 . 1 1 63 63 ARG N N 15 116.514 0.300 . 1 . . . . 63 ARG N . 10291 1 699 . 1 1 64 64 ARG H H 1 7.913 0.030 . 1 . . . . 64 ARG H . 10291 1 700 . 1 1 64 64 ARG HA H 1 4.351 0.030 . 1 . . . . 64 ARG HA . 10291 1 701 . 1 1 64 64 ARG HB2 H 1 1.840 0.030 . 2 . . . . 64 ARG HB2 . 10291 1 702 . 1 1 64 64 ARG HB3 H 1 1.727 0.030 . 2 . . . . 64 ARG HB3 . 10291 1 703 . 1 1 64 64 ARG HD2 H 1 3.168 0.030 . 1 . . . . 64 ARG HD2 . 10291 1 704 . 1 1 64 64 ARG HD3 H 1 3.168 0.030 . 1 . . . . 64 ARG HD3 . 10291 1 705 . 1 1 64 64 ARG HG2 H 1 1.641 0.030 . 2 . . . . 64 ARG HG2 . 10291 1 706 . 1 1 64 64 ARG HG3 H 1 1.560 0.030 . 2 . . . . 64 ARG HG3 . 10291 1 707 . 1 1 64 64 ARG C C 13 176.413 0.300 . 1 . . . . 64 ARG C . 10291 1 708 . 1 1 64 64 ARG CA C 13 57.105 0.300 . 1 . . . . 64 ARG CA . 10291 1 709 . 1 1 64 64 ARG CB C 13 31.672 0.300 . 1 . . . . 64 ARG CB . 10291 1 710 . 1 1 64 64 ARG CD C 13 43.258 0.300 . 1 . . . . 64 ARG CD . 10291 1 711 . 1 1 64 64 ARG CG C 13 27.355 0.300 . 1 . . . . 64 ARG CG . 10291 1 712 . 1 1 64 64 ARG N N 15 116.818 0.300 . 1 . . . . 64 ARG N . 10291 1 713 . 1 1 65 65 ILE H H 1 8.169 0.030 . 1 . . . . 65 ILE H . 10291 1 714 . 1 1 65 65 ILE HA H 1 4.285 0.030 . 1 . . . . 65 ILE HA . 10291 1 715 . 1 1 65 65 ILE HB H 1 1.884 0.030 . 1 . . . . 65 ILE HB . 10291 1 716 . 1 1 65 65 ILE HD11 H 1 0.850 0.030 . 1 . . . . 65 ILE HD1 . 10291 1 717 . 1 1 65 65 ILE HD12 H 1 0.850 0.030 . 1 . . . . 65 ILE HD1 . 10291 1 718 . 1 1 65 65 ILE HD13 H 1 0.850 0.030 . 1 . . . . 65 ILE HD1 . 10291 1 719 . 1 1 65 65 ILE HG12 H 1 1.455 0.030 . 2 . . . . 65 ILE HG12 . 10291 1 720 . 1 1 65 65 ILE HG13 H 1 1.135 0.030 . 2 . . . . 65 ILE HG13 . 10291 1 721 . 1 1 65 65 ILE HG21 H 1 0.923 0.030 . 1 . . . . 65 ILE HG2 . 10291 1 722 . 1 1 65 65 ILE HG22 H 1 0.923 0.030 . 1 . . . . 65 ILE HG2 . 10291 1 723 . 1 1 65 65 ILE HG23 H 1 0.923 0.030 . 1 . . . . 65 ILE HG2 . 10291 1 724 . 1 1 65 65 ILE C C 13 176.208 0.300 . 1 . . . . 65 ILE C . 10291 1 725 . 1 1 65 65 ILE CA C 13 62.005 0.300 . 1 . . . . 65 ILE CA . 10291 1 726 . 1 1 65 65 ILE CB C 13 39.088 0.300 . 1 . . . . 65 ILE CB . 10291 1 727 . 1 1 65 65 ILE CD1 C 13 13.429 0.300 . 1 . . . . 65 ILE CD1 . 10291 1 728 . 1 1 65 65 ILE CG1 C 13 27.602 0.300 . 1 . . . . 65 ILE CG1 . 10291 1 729 . 1 1 65 65 ILE CG2 C 13 17.549 0.300 . 1 . . . . 65 ILE CG2 . 10291 1 730 . 1 1 65 65 ILE N N 15 119.185 0.300 . 1 . . . . 65 ILE N . 10291 1 731 . 1 1 66 66 LEU H H 1 7.962 0.030 . 1 . . . . 66 LEU H . 10291 1 732 . 1 1 66 66 LEU HA H 1 4.485 0.030 . 1 . . . . 66 LEU HA . 10291 1 733 . 1 1 66 66 LEU HB2 H 1 1.649 0.030 . 2 . . . . 66 LEU HB2 . 10291 1 734 . 1 1 66 66 LEU HB3 H 1 1.952 0.030 . 2 . . . . 66 LEU HB3 . 10291 1 735 . 1 1 66 66 LEU HD11 H 1 1.010 0.030 . 1 . . . . 66 LEU HD1 . 10291 1 736 . 1 1 66 66 LEU HD12 H 1 1.010 0.030 . 1 . . . . 66 LEU HD1 . 10291 1 737 . 1 1 66 66 LEU HD13 H 1 1.010 0.030 . 1 . . . . 66 LEU HD1 . 10291 1 738 . 1 1 66 66 LEU HD21 H 1 0.972 0.030 . 1 . . . . 66 LEU HD2 . 10291 1 739 . 1 1 66 66 LEU HD22 H 1 0.972 0.030 . 1 . . . . 66 LEU HD2 . 10291 1 740 . 1 1 66 66 LEU HD23 H 1 0.972 0.030 . 1 . . . . 66 LEU HD2 . 10291 1 741 . 1 1 66 66 LEU HG H 1 1.677 0.030 . 1 . . . . 66 LEU HG . 10291 1 742 . 1 1 66 66 LEU C C 13 176.216 0.300 . 1 . . . . 66 LEU C . 10291 1 743 . 1 1 66 66 LEU CA C 13 56.153 0.300 . 1 . . . . 66 LEU CA . 10291 1 744 . 1 1 66 66 LEU CB C 13 40.792 0.300 . 1 . . . . 66 LEU CB . 10291 1 745 . 1 1 66 66 LEU CD1 C 13 24.370 0.300 . 2 . . . . 66 LEU CD1 . 10291 1 746 . 1 1 66 66 LEU CD2 C 13 25.034 0.300 . 2 . . . . 66 LEU CD2 . 10291 1 747 . 1 1 66 66 LEU CG C 13 27.194 0.300 . 1 . . . . 66 LEU CG . 10291 1 748 . 1 1 66 66 LEU N N 15 124.389 0.300 . 1 . . . . 66 LEU N . 10291 1 749 . 1 1 67 67 PRO HA H 1 4.283 0.030 . 1 . . . . 67 PRO HA . 10291 1 750 . 1 1 67 67 PRO HB2 H 1 1.861 0.030 . 2 . . . . 67 PRO HB2 . 10291 1 751 . 1 1 67 67 PRO HB3 H 1 2.302 0.030 . 2 . . . . 67 PRO HB3 . 10291 1 752 . 1 1 67 67 PRO HD2 H 1 3.767 0.030 . 2 . . . . 67 PRO HD2 . 10291 1 753 . 1 1 67 67 PRO HD3 H 1 3.395 0.030 . 2 . . . . 67 PRO HD3 . 10291 1 754 . 1 1 67 67 PRO HG2 H 1 1.963 0.030 . 2 . . . . 67 PRO HG2 . 10291 1 755 . 1 1 67 67 PRO HG3 H 1 2.066 0.030 . 2 . . . . 67 PRO HG3 . 10291 1 756 . 1 1 67 67 PRO C C 13 178.294 0.300 . 1 . . . . 67 PRO C . 10291 1 757 . 1 1 67 67 PRO CA C 13 65.390 0.300 . 1 . . . . 67 PRO CA . 10291 1 758 . 1 1 67 67 PRO CB C 13 31.095 0.300 . 1 . . . . 67 PRO CB . 10291 1 759 . 1 1 67 67 PRO CD C 13 50.262 0.300 . 1 . . . . 67 PRO CD . 10291 1 760 . 1 1 67 67 PRO CG C 13 28.096 0.300 . 1 . . . . 67 PRO CG . 10291 1 761 . 1 1 68 68 ASP H H 1 7.913 0.030 . 1 . . . . 68 ASP H . 10291 1 762 . 1 1 68 68 ASP HA H 1 4.507 0.030 . 1 . . . . 68 ASP HA . 10291 1 763 . 1 1 68 68 ASP HB2 H 1 2.708 0.030 . 1 . . . . 68 ASP HB2 . 10291 1 764 . 1 1 68 68 ASP HB3 H 1 2.708 0.030 . 1 . . . . 68 ASP HB3 . 10291 1 765 . 1 1 68 68 ASP C C 13 177.927 0.300 . 1 . . . . 68 ASP C . 10291 1 766 . 1 1 68 68 ASP CA C 13 55.906 0.300 . 1 . . . . 68 ASP CA . 10291 1 767 . 1 1 68 68 ASP CB C 13 40.736 0.300 . 1 . . . . 68 ASP CB . 10291 1 768 . 1 1 68 68 ASP N N 15 117.231 0.300 . 1 . . . . 68 ASP N . 10291 1 769 . 1 1 69 69 MET H H 1 8.083 0.030 . 1 . . . . 69 MET H . 10291 1 770 . 1 1 69 69 MET HA H 1 4.362 0.030 . 1 . . . . 69 MET HA . 10291 1 771 . 1 1 69 69 MET HB2 H 1 2.815 0.030 . 2 . . . . 69 MET HB2 . 10291 1 772 . 1 1 69 69 MET HB3 H 1 2.563 0.030 . 2 . . . . 69 MET HB3 . 10291 1 773 . 1 1 69 69 MET HE1 H 1 2.142 0.030 . 1 . . . . 69 MET HE . 10291 1 774 . 1 1 69 69 MET HE2 H 1 2.142 0.030 . 1 . . . . 69 MET HE . 10291 1 775 . 1 1 69 69 MET HE3 H 1 2.142 0.030 . 1 . . . . 69 MET HE . 10291 1 776 . 1 1 69 69 MET HG2 H 1 2.217 0.030 . 2 . . . . 69 MET HG2 . 10291 1 777 . 1 1 69 69 MET HG3 H 1 2.069 0.030 . 2 . . . . 69 MET HG3 . 10291 1 778 . 1 1 69 69 MET C C 13 177.374 0.300 . 1 . . . . 69 MET C . 10291 1 779 . 1 1 69 69 MET CA C 13 57.634 0.300 . 1 . . . . 69 MET CA . 10291 1 780 . 1 1 69 69 MET CB C 13 32.816 0.300 . 1 . . . . 69 MET CB . 10291 1 781 . 1 1 69 69 MET CE C 13 17.890 0.300 . 1 . . . . 69 MET CE . 10291 1 782 . 1 1 69 69 MET CG C 13 32.879 0.300 . 1 . . . . 69 MET CG . 10291 1 783 . 1 1 69 69 MET N N 15 119.391 0.300 . 1 . . . . 69 MET N . 10291 1 784 . 1 1 70 70 LEU H H 1 7.907 0.030 . 1 . . . . 70 LEU H . 10291 1 785 . 1 1 70 70 LEU HA H 1 4.232 0.030 . 1 . . . . 70 LEU HA . 10291 1 786 . 1 1 70 70 LEU HB2 H 1 1.615 0.030 . 2 . . . . 70 LEU HB2 . 10291 1 787 . 1 1 70 70 LEU HB3 H 1 1.765 0.030 . 2 . . . . 70 LEU HB3 . 10291 1 788 . 1 1 70 70 LEU HD11 H 1 0.904 0.030 . 1 . . . . 70 LEU HD1 . 10291 1 789 . 1 1 70 70 LEU HD12 H 1 0.904 0.030 . 1 . . . . 70 LEU HD1 . 10291 1 790 . 1 1 70 70 LEU HD13 H 1 0.904 0.030 . 1 . . . . 70 LEU HD1 . 10291 1 791 . 1 1 70 70 LEU HD21 H 1 0.727 0.030 . 1 . . . . 70 LEU HD2 . 10291 1 792 . 1 1 70 70 LEU HD22 H 1 0.727 0.030 . 1 . . . . 70 LEU HD2 . 10291 1 793 . 1 1 70 70 LEU HD23 H 1 0.727 0.030 . 1 . . . . 70 LEU HD2 . 10291 1 794 . 1 1 70 70 LEU HG H 1 1.621 0.030 . 1 . . . . 70 LEU HG . 10291 1 795 . 1 1 70 70 LEU C C 13 177.745 0.300 . 1 . . . . 70 LEU C . 10291 1 796 . 1 1 70 70 LEU CA C 13 55.835 0.300 . 1 . . . . 70 LEU CA . 10291 1 797 . 1 1 70 70 LEU CB C 13 42.174 0.300 . 1 . . . . 70 LEU CB . 10291 1 798 . 1 1 70 70 LEU CD1 C 13 25.200 0.300 . 2 . . . . 70 LEU CD1 . 10291 1 799 . 1 1 70 70 LEU CD2 C 13 22.972 0.300 . 2 . . . . 70 LEU CD2 . 10291 1 800 . 1 1 70 70 LEU CG C 13 26.982 0.300 . 1 . . . . 70 LEU CG . 10291 1 801 . 1 1 70 70 LEU N N 15 119.266 0.300 . 1 . . . . 70 LEU N . 10291 1 802 . 1 1 71 71 GLN H H 1 7.865 0.030 . 1 . . . . 71 GLN H . 10291 1 803 . 1 1 71 71 GLN HA H 1 4.287 0.030 . 1 . . . . 71 GLN HA . 10291 1 804 . 1 1 71 71 GLN HB2 H 1 2.074 0.030 . 2 . . . . 71 GLN HB2 . 10291 1 805 . 1 1 71 71 GLN HB3 H 1 2.146 0.030 . 2 . . . . 71 GLN HB3 . 10291 1 806 . 1 1 71 71 GLN HE21 H 1 7.546 0.030 . 2 . . . . 71 GLN HE21 . 10291 1 807 . 1 1 71 71 GLN HE22 H 1 6.857 0.030 . 2 . . . . 71 GLN HE22 . 10291 1 808 . 1 1 71 71 GLN HG2 H 1 2.414 0.030 . 2 . . . . 71 GLN HG2 . 10291 1 809 . 1 1 71 71 GLN C C 13 178.855 0.300 . 1 . . . . 71 GLN C . 10291 1 810 . 1 1 71 71 GLN CA C 13 56.383 0.300 . 1 . . . . 71 GLN CA . 10291 1 811 . 1 1 71 71 GLN CB C 13 29.092 0.300 . 1 . . . . 71 GLN CB . 10291 1 812 . 1 1 71 71 GLN CG C 13 33.903 0.300 . 1 . . . . 71 GLN CG . 10291 1 813 . 1 1 71 71 GLN N N 15 118.603 0.300 . 1 . . . . 71 GLN N . 10291 1 814 . 1 1 71 71 GLN NE2 N 15 112.310 0.300 . 1 . . . . 71 GLN NE2 . 10291 1 815 . 1 1 72 72 GLN H H 1 8.189 0.030 . 1 . . . . 72 GLN H . 10291 1 816 . 1 1 72 72 GLN HA H 1 4.302 0.030 . 1 . . . . 72 GLN HA . 10291 1 817 . 1 1 72 72 GLN HB2 H 1 2.153 0.030 . 2 . . . . 72 GLN HB2 . 10291 1 818 . 1 1 72 72 GLN HB3 H 1 2.069 0.030 . 2 . . . . 72 GLN HB3 . 10291 1 819 . 1 1 72 72 GLN HG2 H 1 2.421 0.030 . 1 . . . . 72 GLN HG2 . 10291 1 820 . 1 1 72 72 GLN HG3 H 1 2.421 0.030 . 1 . . . . 72 GLN HG3 . 10291 1 821 . 1 1 72 72 GLN CA C 13 56.206 0.300 . 1 . . . . 72 GLN CA . 10291 1 822 . 1 1 72 72 GLN CB C 13 29.298 0.300 . 1 . . . . 72 GLN CB . 10291 1 823 . 1 1 72 72 GLN CG C 13 33.893 0.300 . 1 . . . . 72 GLN CG . 10291 1 824 . 1 1 72 72 GLN N N 15 120.267 0.300 . 1 . . . . 72 GLN N . 10291 1 825 . 1 1 73 73 ARG C C 13 176.105 0.300 . 1 . . . . 73 ARG C . 10291 1 826 . 1 1 74 74 ARG HA H 1 4.334 0.030 . 1 . . . . 74 ARG HA . 10291 1 827 . 1 1 74 74 ARG HB2 H 1 1.877 0.030 . 2 . . . . 74 ARG HB2 . 10291 1 828 . 1 1 74 74 ARG HB3 H 1 1.782 0.030 . 2 . . . . 74 ARG HB3 . 10291 1 829 . 1 1 74 74 ARG HD2 H 1 3.195 0.030 . 1 . . . . 74 ARG HD2 . 10291 1 830 . 1 1 74 74 ARG HD3 H 1 3.195 0.030 . 1 . . . . 74 ARG HD3 . 10291 1 831 . 1 1 74 74 ARG HG2 H 1 1.628 0.030 . 1 . . . . 74 ARG HG2 . 10291 1 832 . 1 1 74 74 ARG HG3 H 1 1.628 0.030 . 1 . . . . 74 ARG HG3 . 10291 1 833 . 1 1 74 74 ARG C C 13 176.188 0.300 . 1 . . . . 74 ARG C . 10291 1 834 . 1 1 74 74 ARG CA C 13 56.300 0.300 . 1 . . . . 74 ARG CA . 10291 1 835 . 1 1 74 74 ARG CB C 13 30.668 0.300 . 1 . . . . 74 ARG CB . 10291 1 836 . 1 1 74 74 ARG CD C 13 43.443 0.300 . 1 . . . . 74 ARG CD . 10291 1 837 . 1 1 74 74 ARG CG C 13 27.101 0.300 . 1 . . . . 74 ARG CG . 10291 1 838 . 1 1 75 75 ASN C C 13 174.462 0.300 . 1 . . . . 75 ASN C . 10291 1 839 . 1 1 75 75 ASN CA C 13 53.148 0.300 . 1 . . . . 75 ASN CA . 10291 1 840 . 1 1 75 75 ASN CB C 13 39.046 0.300 . 1 . . . . 75 ASN CB . 10291 1 841 . 1 1 76 76 ASP H H 1 8.257 0.030 . 1 . . . . 76 ASP H . 10291 1 842 . 1 1 76 76 ASP HA H 1 4.877 0.030 . 1 . . . . 76 ASP HA . 10291 1 843 . 1 1 76 76 ASP HB2 H 1 2.757 0.030 . 2 . . . . 76 ASP HB2 . 10291 1 844 . 1 1 76 76 ASP HB3 H 1 2.527 0.030 . 2 . . . . 76 ASP HB3 . 10291 1 845 . 1 1 76 76 ASP C C 13 174.759 0.300 . 1 . . . . 76 ASP C . 10291 1 846 . 1 1 76 76 ASP CA C 13 52.380 0.300 . 1 . . . . 76 ASP CA . 10291 1 847 . 1 1 76 76 ASP CB C 13 41.267 0.300 . 1 . . . . 76 ASP CB . 10291 1 848 . 1 1 76 76 ASP N N 15 122.030 0.300 . 1 . . . . 76 ASP N . 10291 1 849 . 1 1 77 77 PRO HA H 1 4.466 0.030 . 1 . . . . 77 PRO HA . 10291 1 850 . 1 1 77 77 PRO HB2 H 1 1.996 0.030 . 2 . . . . 77 PRO HB2 . 10291 1 851 . 1 1 77 77 PRO HB3 H 1 2.296 0.030 . 2 . . . . 77 PRO HB3 . 10291 1 852 . 1 1 77 77 PRO HD2 H 1 3.834 0.030 . 2 . . . . 77 PRO HD2 . 10291 1 853 . 1 1 77 77 PRO HD3 H 1 3.779 0.030 . 2 . . . . 77 PRO HD3 . 10291 1 854 . 1 1 77 77 PRO HG2 H 1 2.022 0.030 . 1 . . . . 77 PRO HG2 . 10291 1 855 . 1 1 77 77 PRO HG3 H 1 2.022 0.030 . 1 . . . . 77 PRO HG3 . 10291 1 856 . 1 1 77 77 PRO C C 13 177.133 0.300 . 1 . . . . 77 PRO C . 10291 1 857 . 1 1 77 77 PRO CA C 13 63.733 0.300 . 1 . . . . 77 PRO CA . 10291 1 858 . 1 1 77 77 PRO CB C 13 31.919 0.300 . 1 . . . . 77 PRO CB . 10291 1 859 . 1 1 77 77 PRO CD C 13 50.839 0.300 . 1 . . . . 77 PRO CD . 10291 1 860 . 1 1 77 77 PRO CG C 13 27.190 0.300 . 1 . . . . 77 PRO CG . 10291 1 861 . 1 1 78 78 SER H H 1 8.457 0.030 . 1 . . . . 78 SER H . 10291 1 862 . 1 1 78 78 SER HA H 1 4.479 0.030 . 1 . . . . 78 SER HA . 10291 1 863 . 1 1 78 78 SER HB2 H 1 3.914 0.030 . 1 . . . . 78 SER HB2 . 10291 1 864 . 1 1 78 78 SER HB3 H 1 3.914 0.030 . 1 . . . . 78 SER HB3 . 10291 1 865 . 1 1 78 78 SER C C 13 174.731 0.300 . 1 . . . . 78 SER C . 10291 1 866 . 1 1 78 78 SER CA C 13 58.691 0.300 . 1 . . . . 78 SER CA . 10291 1 867 . 1 1 78 78 SER CB C 13 63.973 0.300 . 1 . . . . 78 SER CB . 10291 1 868 . 1 1 78 78 SER N N 15 115.711 0.300 . 1 . . . . 78 SER N . 10291 1 869 . 1 1 79 79 GLY H H 1 8.090 0.030 . 1 . . . . 79 GLY H . 10291 1 870 . 1 1 79 79 GLY HA2 H 1 4.179 0.030 . 2 . . . . 79 GLY HA2 . 10291 1 871 . 1 1 79 79 GLY HA3 H 1 4.065 0.030 . 2 . . . . 79 GLY HA3 . 10291 1 872 . 1 1 79 79 GLY CA C 13 44.746 0.300 . 1 . . . . 79 GLY CA . 10291 1 873 . 1 1 79 79 GLY N N 15 110.429 0.300 . 1 . . . . 79 GLY N . 10291 1 874 . 1 1 80 80 PRO HA H 1 4.464 0.030 . 1 . . . . 80 PRO HA . 10291 1 875 . 1 1 80 80 PRO HB2 H 1 1.986 0.030 . 2 . . . . 80 PRO HB2 . 10291 1 876 . 1 1 80 80 PRO HB3 H 1 2.293 0.030 . 2 . . . . 80 PRO HB3 . 10291 1 877 . 1 1 80 80 PRO HD2 H 1 3.630 0.030 . 1 . . . . 80 PRO HD2 . 10291 1 878 . 1 1 80 80 PRO HD3 H 1 3.630 0.030 . 1 . . . . 80 PRO HD3 . 10291 1 879 . 1 1 80 80 PRO HG2 H 1 2.025 0.030 . 2 . . . . 80 PRO HG2 . 10291 1 880 . 1 1 80 80 PRO C C 13 177.499 0.300 . 1 . . . . 80 PRO C . 10291 1 881 . 1 1 80 80 PRO CA C 13 63.275 0.300 . 1 . . . . 80 PRO CA . 10291 1 882 . 1 1 80 80 PRO CB C 13 32.249 0.300 . 1 . . . . 80 PRO CB . 10291 1 883 . 1 1 80 80 PRO CD C 13 49.846 0.300 . 1 . . . . 80 PRO CD . 10291 1 884 . 1 1 80 80 PRO CG C 13 27.190 0.300 . 1 . . . . 80 PRO CG . 10291 1 stop_ save_