data_17805 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17805 _Entry.Title ; THE HIGH RESOLUTION STRUCTURE OF UBIQUITIN LIKE DOMAIN OF UBLCP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-25 _Entry.Accession_date 2011-07-25 _Entry.Last_release_date 2012-08-31 _Entry.Original_release_date 2012-08-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Weontae Lee . . . 17805 2 Sunggeon Ko . . . 17805 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 'not applicable' 'not applicable' . 17805 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-TERMINAL DOMAIN PHOSPHATE HYDROLASE' . 17805 'RNA POLYMERASE II' . 17805 'UBIQUITIN LIKE DOMAIN' . 17805 UBLCP1 . 17805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 17805 '15N chemical shifts' 77 17805 '1H chemical shifts' 463 17805 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 . . 2012-08-31 2011-07-25 original author . 17805 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LGD 'BMRB Entry Tracking System' 17805 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17805 _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 High Resolution Structure of Ubiquitin Like Dom Ublcp1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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. Lee . . . 17805 1 2 S. Ko . . . 17805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17805 _Assembly.ID 1 _Assembly.Name 'single polypeptide chain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'UBIQUITIN-LIKE DOMAIN-CONTAINING CTD PHOSPHATASE 1' 1 $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 A . yes native no no . . . 17805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 _Entity.Sf_category entity _Entity.Sf_framecode UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 _Entity.Entry_ID 17805 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MALPIIVKWGGQEYSVTTLS EDDTVLDLKQFLKTLTGVLP ERQKLLGLKVKGKPAENDVK LGALKLKPNTKIMMMGTREE S ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'UNP RESIDUES 1-81' _Entity.Mutation . _Entity.EC_number 3.1.3.16 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8997.747 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 16899 . UBLCP1 . . . . . 100.00 81 98.77 100.00 5.64e-48 . . . . 17805 1 2 no BMRB 16908 . UBLCP1 . . . . . 100.00 81 100.00 100.00 1.58e-48 . . . . 17805 1 3 no BMRB 18844 . entity_1 . . . . . 100.00 82 100.00 100.00 1.62e-48 . . . . 17805 1 4 no PDB 1V5T . "Solution Structure Of The Ubiquitin-Like Domain From Mouse Hypothetical 8430435i17rik Protein" . . . . . 97.53 90 97.47 97.47 9.55e-46 . . . . 17805 1 5 no PDB 2KX3 . "The Solution Structure Of The Mutant Of Ubl Domain Of Ublcp1, I5m" . . . . . 100.00 81 98.77 100.00 5.64e-48 . . . . 17805 1 6 no PDB 2LGD . "The High Resolution Structure Of Ubiquitin Like Domain Of Ublcp1" . . . . . 100.00 83 100.00 100.00 1.62e-48 . . . . 17805 1 7 no PDB 2M17 . "Ubiquitin-like Domain-containing C-terminal Domain Phosphatase (ublcp1)" . . . . . 100.00 82 100.00 100.00 1.62e-48 . . . . 17805 1 8 no DBJ BAB71628 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 318 100.00 100.00 4.54e-46 . . . . 17805 1 9 no DBJ BAC31711 . "unnamed protein product [Mus musculus]" . . . . . 100.00 318 100.00 100.00 3.48e-46 . . . . 17805 1 10 no DBJ BAC34039 . "unnamed protein product [Mus musculus]" . . . . . 100.00 318 100.00 100.00 3.48e-46 . . . . 17805 1 11 no DBJ BAE28110 . "unnamed protein product [Mus musculus]" . . . . . 100.00 318 100.00 100.00 3.48e-46 . . . . 17805 1 12 no DBJ BAI46037 . "ubiquitin-like domain containing CTD phosphatase 1 [synthetic construct]" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 1 13 no EMBL CAH93392 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 318 100.00 100.00 4.64e-46 . . . . 17805 1 14 no GB AAH13425 . "Ubiquitin-like domain containing CTD phosphatase 1 [Homo sapiens]" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 1 15 no GB AAH85111 . "Ubiquitin-like domain containing CTD phosphatase 1 [Mus musculus]" . . . . . 100.00 318 100.00 100.00 3.48e-46 . . . . 17805 1 16 no GB AAH89210 . "Ubiquitin-like domain containing CTD phosphatase 1 [Rattus norvegicus]" . . . . . 100.00 318 98.77 100.00 1.09e-45 . . . . 17805 1 17 no GB AAI05395 . "Ubiquitin-like domain containing CTD phosphatase 1 [Bos taurus]" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 1 18 no GB AAI06094 . "Ubiquitin-like domain containing CTD phosphatase 1 [Mus musculus]" . . . . . 100.00 318 100.00 100.00 3.48e-46 . . . . 17805 1 19 no REF NP_001014139 . "ubiquitin-like domain-containing CTD phosphatase 1 [Rattus norvegicus]" . . . . . 100.00 318 98.77 100.00 1.09e-45 . . . . 17805 1 20 no REF NP_001039459 . "ubiquitin-like domain-containing CTD phosphatase 1 [Bos taurus]" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 1 21 no REF NP_001126990 . "ubiquitin-like domain-containing CTD phosphatase 1 [Pongo abelii]" . . . . . 100.00 318 100.00 100.00 4.64e-46 . . . . 17805 1 22 no REF NP_001253320 . "ubiquitin-like domain-containing CTD phosphatase 1 [Macaca mulatta]" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 1 23 no REF NP_077795 . "ubiquitin-like domain-containing CTD phosphatase 1 [Mus musculus]" . . . . . 100.00 318 100.00 100.00 3.48e-46 . . . . 17805 1 24 no SP Q2KJD7 . "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 1 25 no SP Q5FWT7 . "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" . . . . . 100.00 318 98.77 100.00 1.09e-45 . . . . 17805 1 26 no SP Q5R4C4 . "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" . . . . . 100.00 318 100.00 100.00 4.64e-46 . . . . 17805 1 27 no SP Q8BGR9 . "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" . . . . . 100.00 318 100.00 100.00 3.48e-46 . . . . 17805 1 28 no SP Q8WVY7 . "RecName: Full=Ubiquitin-like domain-containing CTD phosphatase 1; AltName: Full=Nuclear proteasome inhibitor UBLCP1" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 1 29 no TPG DAA27217 . "TPA: ubiquitin-like domain-containing CTD phosphatase 1 [Bos taurus]" . . . . . 100.00 318 100.00 100.00 4.13e-46 . . . . 17805 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 . MET . 17805 1 2 . ALA . 17805 1 3 . LEU . 17805 1 4 . PRO . 17805 1 5 . ILE . 17805 1 6 . ILE . 17805 1 7 . VAL . 17805 1 8 . LYS . 17805 1 9 . TRP . 17805 1 10 . GLY . 17805 1 11 . GLY . 17805 1 12 . GLN . 17805 1 13 . GLU . 17805 1 14 . TYR . 17805 1 15 . SER . 17805 1 16 . VAL . 17805 1 17 . THR . 17805 1 18 . THR . 17805 1 19 . LEU . 17805 1 20 . SER . 17805 1 21 . GLU . 17805 1 22 . ASP . 17805 1 23 . ASP . 17805 1 24 . THR . 17805 1 25 . VAL . 17805 1 26 . LEU . 17805 1 27 . ASP . 17805 1 28 . LEU . 17805 1 29 . LYS . 17805 1 30 . GLN . 17805 1 31 . PHE . 17805 1 32 . LEU . 17805 1 33 . LYS . 17805 1 34 . THR . 17805 1 35 . LEU . 17805 1 36 . THR . 17805 1 37 . GLY . 17805 1 38 . VAL . 17805 1 39 . LEU . 17805 1 40 . PRO . 17805 1 41 . GLU . 17805 1 42 . ARG . 17805 1 43 . GLN . 17805 1 44 . LYS . 17805 1 45 . LEU . 17805 1 46 . LEU . 17805 1 47 . GLY . 17805 1 48 . LEU . 17805 1 49 . LYS . 17805 1 50 . VAL . 17805 1 51 . LYS . 17805 1 52 . GLY . 17805 1 53 . LYS . 17805 1 54 . PRO . 17805 1 55 . ALA . 17805 1 56 . GLU . 17805 1 57 . ASN . 17805 1 58 . ASP . 17805 1 59 . VAL . 17805 1 60 . LYS . 17805 1 61 . LEU . 17805 1 62 . GLY . 17805 1 63 . ALA . 17805 1 64 . LEU . 17805 1 65 . LYS . 17805 1 66 . LEU . 17805 1 67 . LYS . 17805 1 68 . PRO . 17805 1 69 . ASN . 17805 1 70 . THR . 17805 1 71 . LYS . 17805 1 72 . ILE . 17805 1 73 . MET . 17805 1 74 . MET . 17805 1 75 . MET . 17805 1 76 . GLY . 17805 1 77 . THR . 17805 1 78 . ARG . 17805 1 79 . GLU . 17805 1 80 . GLU . 17805 1 81 . SER . 17805 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 . MET 1 1 17805 1 . ALA 2 2 17805 1 . LEU 3 3 17805 1 . PRO 4 4 17805 1 . ILE 5 5 17805 1 . ILE 6 6 17805 1 . VAL 7 7 17805 1 . LYS 8 8 17805 1 . TRP 9 9 17805 1 . GLY 10 10 17805 1 . GLY 11 11 17805 1 . GLN 12 12 17805 1 . GLU 13 13 17805 1 . TYR 14 14 17805 1 . SER 15 15 17805 1 . VAL 16 16 17805 1 . THR 17 17 17805 1 . THR 18 18 17805 1 . LEU 19 19 17805 1 . SER 20 20 17805 1 . GLU 21 21 17805 1 . ASP 22 22 17805 1 . ASP 23 23 17805 1 . THR 24 24 17805 1 . VAL 25 25 17805 1 . LEU 26 26 17805 1 . ASP 27 27 17805 1 . LEU 28 28 17805 1 . LYS 29 29 17805 1 . GLN 30 30 17805 1 . PHE 31 31 17805 1 . LEU 32 32 17805 1 . LYS 33 33 17805 1 . THR 34 34 17805 1 . LEU 35 35 17805 1 . THR 36 36 17805 1 . GLY 37 37 17805 1 . VAL 38 38 17805 1 . LEU 39 39 17805 1 . PRO 40 40 17805 1 . GLU 41 41 17805 1 . ARG 42 42 17805 1 . GLN 43 43 17805 1 . LYS 44 44 17805 1 . LEU 45 45 17805 1 . LEU 46 46 17805 1 . GLY 47 47 17805 1 . LEU 48 48 17805 1 . LYS 49 49 17805 1 . VAL 50 50 17805 1 . LYS 51 51 17805 1 . GLY 52 52 17805 1 . LYS 53 53 17805 1 . PRO 54 54 17805 1 . ALA 55 55 17805 1 . GLU 56 56 17805 1 . ASN 57 57 17805 1 . ASP 58 58 17805 1 . VAL 59 59 17805 1 . LYS 60 60 17805 1 . LEU 61 61 17805 1 . GLY 62 62 17805 1 . ALA 63 63 17805 1 . LEU 64 64 17805 1 . LYS 65 65 17805 1 . LEU 66 66 17805 1 . LYS 67 67 17805 1 . PRO 68 68 17805 1 . ASN 69 69 17805 1 . THR 70 70 17805 1 . LYS 71 71 17805 1 . ILE 72 72 17805 1 . MET 73 73 17805 1 . MET 74 74 17805 1 . MET 75 75 17805 1 . GLY 76 76 17805 1 . THR 77 77 17805 1 . ARG 78 78 17805 1 . GLU 79 79 17805 1 . GLU 80 80 17805 1 . SER 81 81 17805 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 17805 _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 $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . UBLCP1 . . . . 17805 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 17805 _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 $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI . . . . . . . . . . . . . VECTOR . . 'PGEX 4T-1' . . . . . . 17805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17805 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 MM [U-99% 15N] UBLDOMAIN OF UBLCP1-1, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBIQUITIN-LIKE DOMAIN-CONTAINING CTD PHOSPHATASE 1' '[U-99% 15N]' . . 1 $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 . . 1.5 . . mM . . . . 17805 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17805 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17805 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17805 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 [U-95% 13C' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBIQUITIN-LIKE DOMAIN-CONTAINING CTD PHOSPHATASE 1' '[U-95% 13C]' . . 1 $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 . . 1.5 . . mM . . . . 17805 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17805 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17805 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U-99% 15N/95% 13C] UBLDOMAI OF UBLCP1-2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBIQUITIN-LIKE DOMAIN-CONTAINING CTD PHOSPHATASE 1' '[U-95% 13C; U-95% 15N]' . . 1 $UBIQUITIN-LIKE_DOMAIN-CONTAINING_CTD_PHOSPHATASE_1 . . 1.5 . . mM . . . . 17805 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17805 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17805 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17805 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17805 1 pH 7.0 . pH 17805 1 pressure 1 . atm 17805 1 temperature 298 . K 17805 1 stop_ save_ ############################ # Computer software used # ############################ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 17805 _Software.ID 1 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17805 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17805 1 stop_ save_ save_MOLMOL_NMRDRAW _Software.Sf_category software _Software.Sf_framecode MOLMOL_NMRDRAW _Software.Entry_ID 17805 _Software.ID 2 _Software.Name MOLMOL_NMRDRAW _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17805 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17805 2 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 17805 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17805 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17805 3 stop_ save_ save_PROCHECKNMR _Software.Sf_category software _Software.Sf_framecode PROCHECKNMR _Software.Entry_ID 17805 _Software.ID 4 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17805 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17805 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17805 _Software.ID 5 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17805 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17805 5 'peak picking' 17805 5 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 17805 _Software.ID 6 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17805 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17805 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17805 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17805 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17805 7 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17805 _Software.ID 8 _Software.Name CYANA _Software.Version 2.2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 17805 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17805 8 'structure solution' 17805 8 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17805 _Software.ID 9 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17805 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17805 9 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 17805 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17805 _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 DRX . 900 . . . 17805 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 17805 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 3 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 5 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 8 '3D 1 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17805 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17805 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 17805 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17805 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17805 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17805 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 17805 1 3 '3D HNCO' . . . 17805 1 5 '3D HNCACB' . . . 17805 1 8 '3D 1 15N NOESY' . . . 17805 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 1 1 MET H H 1 8.962 0.020 . 1 . . . A 1 MET H . 17805 1 2 . 1 1 1 1 MET HA H 1 4.412 0.020 . 1 . . . A 1 MET HA . 17805 1 3 . 1 1 1 1 MET HB2 H 1 1.930 0.020 . 2 . . . A 1 MET HB2 . 17805 1 4 . 1 1 1 1 MET HB3 H 1 1.930 0.020 . 2 . . . A 1 MET HB3 . 17805 1 5 . 1 1 1 1 MET C C 13 177.599 0.400 . 1 . . . A 1 MET C . 17805 1 6 . 1 1 1 1 MET CA C 13 55.355 0.400 . 1 . . . A 1 MET CA . 17805 1 7 . 1 1 1 1 MET CB C 13 33.581 0.400 . 1 . . . A 1 MET CB . 17805 1 8 . 1 1 1 1 MET N N 15 120.525 0.400 . 1 . . . A 1 MET N . 17805 1 9 . 1 1 2 2 ALA H H 1 8.410 0.020 . 1 . . . A 2 ALA H . 17805 1 10 . 1 1 2 2 ALA HA H 1 4.033 0.020 . 1 . . . A 2 ALA HA . 17805 1 11 . 1 1 2 2 ALA HB1 H 1 1.202 0.020 . 1 . . . A 2 ALA HB . 17805 1 12 . 1 1 2 2 ALA HB2 H 1 1.202 0.020 . 1 . . . A 2 ALA HB . 17805 1 13 . 1 1 2 2 ALA HB3 H 1 1.202 0.020 . 1 . . . A 2 ALA HB . 17805 1 14 . 1 1 2 2 ALA C C 13 176.202 0.400 . 1 . . . A 2 ALA C . 17805 1 15 . 1 1 2 2 ALA CA C 13 53.215 0.400 . 1 . . . A 2 ALA CA . 17805 1 16 . 1 1 2 2 ALA CB C 13 19.376 0.400 . 1 . . . A 2 ALA CB . 17805 1 17 . 1 1 2 2 ALA N N 15 126.014 0.400 . 1 . . . A 2 ALA N . 17805 1 18 . 1 1 3 3 LEU H H 1 8.271 0.020 . 1 . . . A 3 LEU H . 17805 1 19 . 1 1 3 3 LEU HA H 1 4.646 0.020 . 1 . . . A 3 LEU HA . 17805 1 20 . 1 1 3 3 LEU HB2 H 1 1.430 0.020 . 2 . . . A 3 LEU HB2 . 17805 1 21 . 1 1 3 3 LEU HB3 H 1 1.048 0.020 . 2 . . . A 3 LEU HB3 . 17805 1 22 . 1 1 3 3 LEU HG H 1 1.395 0.020 . 1 . . . A 3 LEU HG . 17805 1 23 . 1 1 3 3 LEU HD11 H 1 0.622 0.020 . 2 . . . A 3 LEU HD1 . 17805 1 24 . 1 1 3 3 LEU HD12 H 1 0.622 0.020 . 2 . . . A 3 LEU HD1 . 17805 1 25 . 1 1 3 3 LEU HD13 H 1 0.622 0.020 . 2 . . . A 3 LEU HD1 . 17805 1 26 . 1 1 3 3 LEU CA C 13 51.817 0.400 . 1 . . . A 3 LEU CA . 17805 1 27 . 1 1 3 3 LEU CB C 13 43.557 0.400 . 1 . . . A 3 LEU CB . 17805 1 28 . 1 1 3 3 LEU CG C 13 27.410 0.400 . 1 . . . A 3 LEU CG . 17805 1 29 . 1 1 3 3 LEU CD1 C 13 25.969 0.400 . 1 . . . A 3 LEU CD1 . 17805 1 30 . 1 1 3 3 LEU N N 15 123.255 0.400 . 1 . . . A 3 LEU N . 17805 1 31 . 1 1 4 4 PRO HA H 1 4.606 0.020 . 1 . . . A 4 PRO HA . 17805 1 32 . 1 1 4 4 PRO HB2 H 1 2.021 0.020 . 2 . . . A 4 PRO HB2 . 17805 1 33 . 1 1 4 4 PRO HB3 H 1 1.886 0.020 . 2 . . . A 4 PRO HB3 . 17805 1 34 . 1 1 4 4 PRO HG2 H 1 2.000 0.020 . 2 . . . A 4 PRO HG2 . 17805 1 35 . 1 1 4 4 PRO HG3 H 1 1.902 0.020 . 2 . . . A 4 PRO HG3 . 17805 1 36 . 1 1 4 4 PRO HD2 H 1 3.516 0.020 . 2 . . . A 4 PRO HD2 . 17805 1 37 . 1 1 4 4 PRO HD3 H 1 3.516 0.020 . 2 . . . A 4 PRO HD3 . 17805 1 38 . 1 1 4 4 PRO C C 13 179.796 0.400 . 1 . . . A 4 PRO C . 17805 1 39 . 1 1 4 4 PRO CA C 13 63.240 0.400 . 1 . . . A 4 PRO CA . 17805 1 40 . 1 1 4 4 PRO CB C 13 32.070 0.400 . 1 . . . A 4 PRO CB . 17805 1 41 . 1 1 4 4 PRO CG C 13 28.149 0.400 . 1 . . . A 4 PRO CG . 17805 1 42 . 1 1 4 4 PRO CD C 13 50.521 0.400 . 1 . . . A 4 PRO CD . 17805 1 43 . 1 1 5 5 ILE H H 1 8.317 0.020 . 1 . . . A 5 ILE H . 17805 1 44 . 1 1 5 5 ILE HA H 1 4.359 0.020 . 1 . . . A 5 ILE HA . 17805 1 45 . 1 1 5 5 ILE HB H 1 1.555 0.020 . 1 . . . A 5 ILE HB . 17805 1 46 . 1 1 5 5 ILE HG21 H 1 0.729 0.020 . 1 . . . A 5 ILE HG2 . 17805 1 47 . 1 1 5 5 ILE HG22 H 1 0.729 0.020 . 1 . . . A 5 ILE HG2 . 17805 1 48 . 1 1 5 5 ILE HG23 H 1 0.729 0.020 . 1 . . . A 5 ILE HG2 . 17805 1 49 . 1 1 5 5 ILE HG12 H 1 1.507 0.020 . 2 . . . A 5 ILE HG12 . 17805 1 50 . 1 1 5 5 ILE HG13 H 1 0.878 0.020 . 2 . . . A 5 ILE HG13 . 17805 1 51 . 1 1 5 5 ILE HD11 H 1 0.605 0.020 . 1 . . . A 5 ILE HD1 . 17805 1 52 . 1 1 5 5 ILE HD12 H 1 0.605 0.020 . 1 . . . A 5 ILE HD1 . 17805 1 53 . 1 1 5 5 ILE HD13 H 1 0.605 0.020 . 1 . . . A 5 ILE HD1 . 17805 1 54 . 1 1 5 5 ILE C C 13 179.202 0.400 . 1 . . . A 5 ILE C . 17805 1 55 . 1 1 5 5 ILE CA C 13 60.833 0.400 . 1 . . . A 5 ILE CA . 17805 1 56 . 1 1 5 5 ILE CB C 13 43.943 0.400 . 1 . . . A 5 ILE CB . 17805 1 57 . 1 1 5 5 ILE CG1 C 13 27.203 0.400 . 1 . . . A 5 ILE CG1 . 17805 1 58 . 1 1 5 5 ILE CG2 C 13 18.205 0.400 . 1 . . . A 5 ILE CG2 . 17805 1 59 . 1 1 5 5 ILE CD1 C 13 14.599 0.400 . 1 . . . A 5 ILE CD1 . 17805 1 60 . 1 1 5 5 ILE N N 15 122.161 0.400 . 1 . . . A 5 ILE N . 17805 1 61 . 1 1 6 6 ILE H H 1 8.408 0.020 . 1 . . . A 6 ILE H . 17805 1 62 . 1 1 6 6 ILE HA H 1 4.921 0.020 . 1 . . . A 6 ILE HA . 17805 1 63 . 1 1 6 6 ILE HB H 1 1.545 0.020 . 1 . . . A 6 ILE HB . 17805 1 64 . 1 1 6 6 ILE HG21 H 1 0.690 0.020 . 1 . . . A 6 ILE HG2 . 17805 1 65 . 1 1 6 6 ILE HG22 H 1 0.690 0.020 . 1 . . . A 6 ILE HG2 . 17805 1 66 . 1 1 6 6 ILE HG23 H 1 0.690 0.020 . 1 . . . A 6 ILE HG2 . 17805 1 67 . 1 1 6 6 ILE HG12 H 1 1.350 0.020 . 2 . . . A 6 ILE HG12 . 17805 1 68 . 1 1 6 6 ILE HG13 H 1 0.976 0.020 . 2 . . . A 6 ILE HG13 . 17805 1 69 . 1 1 6 6 ILE HD11 H 1 0.689 0.020 . 1 . . . A 6 ILE HD1 . 17805 1 70 . 1 1 6 6 ILE HD12 H 1 0.689 0.020 . 1 . . . A 6 ILE HD1 . 17805 1 71 . 1 1 6 6 ILE HD13 H 1 0.689 0.020 . 1 . . . A 6 ILE HD1 . 17805 1 72 . 1 1 6 6 ILE C C 13 178.393 0.400 . 1 . . . A 6 ILE C . 17805 1 73 . 1 1 6 6 ILE CA C 13 59.865 0.400 . 1 . . . A 6 ILE CA . 17805 1 74 . 1 1 6 6 ILE CB C 13 40.264 0.400 . 1 . . . A 6 ILE CB . 17805 1 75 . 1 1 6 6 ILE CG1 C 13 28.159 0.400 . 1 . . . A 6 ILE CG1 . 17805 1 76 . 1 1 6 6 ILE CG2 C 13 18.042 0.400 . 1 . . . A 6 ILE CG2 . 17805 1 77 . 1 1 6 6 ILE CD1 C 13 13.314 0.400 . 1 . . . A 6 ILE CD1 . 17805 1 78 . 1 1 6 6 ILE N N 15 125.649 0.400 . 1 . . . A 6 ILE N . 17805 1 79 . 1 1 7 7 VAL H H 1 9.155 0.020 . 1 . . . A 7 VAL H . 17805 1 80 . 1 1 7 7 VAL HA H 1 4.930 0.020 . 1 . . . A 7 VAL HA . 17805 1 81 . 1 1 7 7 VAL HB H 1 1.861 0.020 . 1 . . . A 7 VAL HB . 17805 1 82 . 1 1 7 7 VAL HG11 H 1 0.840 0.020 . 2 . . . A 7 VAL HG1 . 17805 1 83 . 1 1 7 7 VAL HG12 H 1 0.840 0.020 . 2 . . . A 7 VAL HG1 . 17805 1 84 . 1 1 7 7 VAL HG13 H 1 0.840 0.020 . 2 . . . A 7 VAL HG1 . 17805 1 85 . 1 1 7 7 VAL C C 13 178.215 0.400 . 1 . . . A 7 VAL C . 17805 1 86 . 1 1 7 7 VAL CA C 13 60.363 0.400 . 1 . . . A 7 VAL CA . 17805 1 87 . 1 1 7 7 VAL CB C 13 34.759 0.400 . 1 . . . A 7 VAL CB . 17805 1 88 . 1 1 7 7 VAL CG1 C 13 21.786 0.400 . 1 . . . A 7 VAL CG1 . 17805 1 89 . 1 1 7 7 VAL N N 15 125.741 0.400 . 1 . . . A 7 VAL N . 17805 1 90 . 1 1 8 8 LYS H H 1 9.174 0.020 . 1 . . . A 8 LYS H . 17805 1 91 . 1 1 8 8 LYS HA H 1 5.232 0.020 . 1 . . . A 8 LYS HA . 17805 1 92 . 1 1 8 8 LYS HB2 H 1 2.006 0.020 . 2 . . . A 8 LYS HB2 . 17805 1 93 . 1 1 8 8 LYS HB3 H 1 1.553 0.020 . 2 . . . A 8 LYS HB3 . 17805 1 94 . 1 1 8 8 LYS HG2 H 1 1.331 0.020 . 2 . . . A 8 LYS HG2 . 17805 1 95 . 1 1 8 8 LYS HG3 H 1 1.286 0.020 . 2 . . . A 8 LYS HG3 . 17805 1 96 . 1 1 8 8 LYS HD2 H 1 1.582 0.020 . 2 . . . A 8 LYS HD2 . 17805 1 97 . 1 1 8 8 LYS HD3 H 1 1.582 0.020 . 2 . . . A 8 LYS HD3 . 17805 1 98 . 1 1 8 8 LYS HE2 H 1 2.856 0.020 . 2 . . . A 8 LYS HE2 . 17805 1 99 . 1 1 8 8 LYS HE3 H 1 2.784 0.020 . 2 . . . A 8 LYS HE3 . 17805 1 100 . 1 1 8 8 LYS C C 13 178.353 0.400 . 1 . . . A 8 LYS C . 17805 1 101 . 1 1 8 8 LYS CA C 13 55.275 0.400 . 1 . . . A 8 LYS CA . 17805 1 102 . 1 1 8 8 LYS CB C 13 34.935 0.400 . 1 . . . A 8 LYS CB . 17805 1 103 . 1 1 8 8 LYS CG C 13 25.461 0.400 . 1 . . . A 8 LYS CG . 17805 1 104 . 1 1 8 8 LYS CD C 13 29.787 0.400 . 1 . . . A 8 LYS CD . 17805 1 105 . 1 1 8 8 LYS N N 15 128.098 0.400 . 1 . . . A 8 LYS N . 17805 1 106 . 1 1 9 9 TRP H H 1 8.844 0.020 . 1 . . . A 9 TRP H . 17805 1 107 . 1 1 9 9 TRP HA H 1 5.185 0.020 . 1 . . . A 9 TRP HA . 17805 1 108 . 1 1 9 9 TRP HB2 H 1 3.237 0.020 . 2 . . . A 9 TRP HB2 . 17805 1 109 . 1 1 9 9 TRP HB3 H 1 3.116 0.020 . 2 . . . A 9 TRP HB3 . 17805 1 110 . 1 1 9 9 TRP HD1 H 1 6.949 0.020 . 1 . . . A 9 TRP HD1 . 17805 1 111 . 1 1 9 9 TRP HE1 H 1 10.238 0.020 . 1 . . . A 9 TRP HE1 . 17805 1 112 . 1 1 9 9 TRP HE3 H 1 7.605 0.020 . 1 . . . A 9 TRP HE3 . 17805 1 113 . 1 1 9 9 TRP HZ2 H 1 7.662 0.020 . 1 . . . A 9 TRP HZ2 . 17805 1 114 . 1 1 9 9 TRP C C 13 176.432 0.400 . 1 . . . A 9 TRP C . 17805 1 115 . 1 1 9 9 TRP CA C 13 57.734 0.400 . 1 . . . A 9 TRP CA . 17805 1 116 . 1 1 9 9 TRP CB C 13 31.561 0.400 . 1 . . . A 9 TRP CB . 17805 1 117 . 1 1 9 9 TRP N N 15 125.952 0.400 . 1 . . . A 9 TRP N . 17805 1 118 . 1 1 9 9 TRP NE1 N 15 128.679 0.400 . 1 . . . A 9 TRP NE1 . 17805 1 119 . 1 1 10 10 GLY H H 1 8.683 0.020 . 1 . . . A 10 GLY H . 17805 1 120 . 1 1 10 10 GLY HA2 H 1 3.309 0.020 . 2 . . . A 10 GLY HA2 . 17805 1 121 . 1 1 10 10 GLY HA3 H 1 3.132 0.020 . 2 . . . A 10 GLY HA3 . 17805 1 122 . 1 1 10 10 GLY CA C 13 47.101 0.400 . 1 . . . A 10 GLY CA . 17805 1 123 . 1 1 10 10 GLY N N 15 117.044 0.400 . 1 . . . A 10 GLY N . 17805 1 124 . 1 1 11 11 GLY H H 1 8.600 0.020 . 1 . . . A 11 GLY H . 17805 1 125 . 1 1 11 11 GLY HA2 H 1 3.863 0.020 . 2 . . . A 11 GLY HA2 . 17805 1 126 . 1 1 11 11 GLY HA3 H 1 3.749 0.020 . 2 . . . A 11 GLY HA3 . 17805 1 127 . 1 1 11 11 GLY C C 13 179.353 0.400 . 1 . . . A 11 GLY C . 17805 1 128 . 1 1 11 11 GLY CA C 13 45.460 0.400 . 1 . . . A 11 GLY CA . 17805 1 129 . 1 1 11 11 GLY N N 15 109.364 0.400 . 1 . . . A 11 GLY N . 17805 1 130 . 1 1 12 12 GLN H H 1 7.865 0.020 . 1 . . . A 12 GLN H . 17805 1 131 . 1 1 12 12 GLN HA H 1 4.483 0.020 . 1 . . . A 12 GLN HA . 17805 1 132 . 1 1 12 12 GLN HB2 H 1 2.124 0.020 . 2 . . . A 12 GLN HB2 . 17805 1 133 . 1 1 12 12 GLN HB3 H 1 1.808 0.020 . 2 . . . A 12 GLN HB3 . 17805 1 134 . 1 1 12 12 GLN HG2 H 1 2.047 0.020 . 2 . . . A 12 GLN HG2 . 17805 1 135 . 1 1 12 12 GLN HG3 H 1 2.047 0.020 . 2 . . . A 12 GLN HG3 . 17805 1 136 . 1 1 12 12 GLN C C 13 179.098 0.400 . 1 . . . A 12 GLN C . 17805 1 137 . 1 1 12 12 GLN CA C 13 54.502 0.400 . 1 . . . A 12 GLN CA . 17805 1 138 . 1 1 12 12 GLN CB C 13 32.178 0.400 . 1 . . . A 12 GLN CB . 17805 1 139 . 1 1 12 12 GLN CG C 13 32.510 0.400 . 1 . . . A 12 GLN CG . 17805 1 140 . 1 1 12 12 GLN N N 15 119.388 0.400 . 1 . . . A 12 GLN N . 17805 1 141 . 1 1 13 13 GLU H H 1 8.172 0.020 . 1 . . . A 13 GLU H . 17805 1 142 . 1 1 13 13 GLU HA H 1 4.880 0.020 . 1 . . . A 13 GLU HA . 17805 1 143 . 1 1 13 13 GLU HB2 H 1 1.648 0.020 . 2 . . . A 13 GLU HB2 . 17805 1 144 . 1 1 13 13 GLU HB3 H 1 1.648 0.020 . 2 . . . A 13 GLU HB3 . 17805 1 145 . 1 1 13 13 GLU HG2 H 1 2.118 0.020 . 2 . . . A 13 GLU HG2 . 17805 1 146 . 1 1 13 13 GLU HG3 H 1 1.801 0.020 . 2 . . . A 13 GLU HG3 . 17805 1 147 . 1 1 13 13 GLU C C 13 177.641 0.400 . 1 . . . A 13 GLU C . 17805 1 148 . 1 1 13 13 GLU CA C 13 55.655 0.400 . 1 . . . A 13 GLU CA . 17805 1 149 . 1 1 13 13 GLU CB C 13 32.306 0.400 . 1 . . . A 13 GLU CB . 17805 1 150 . 1 1 13 13 GLU CG C 13 37.597 0.400 . 1 . . . A 13 GLU CG . 17805 1 151 . 1 1 13 13 GLU N N 15 119.756 0.400 . 1 . . . A 13 GLU N . 17805 1 152 . 1 1 14 14 TYR H H 1 9.381 0.020 . 1 . . . A 14 TYR H . 17805 1 153 . 1 1 14 14 TYR HA H 1 4.601 0.020 . 1 . . . A 14 TYR HA . 17805 1 154 . 1 1 14 14 TYR HB2 H 1 2.791 0.020 . 2 . . . A 14 TYR HB2 . 17805 1 155 . 1 1 14 14 TYR HB3 H 1 2.680 0.020 . 2 . . . A 14 TYR HB3 . 17805 1 156 . 1 1 14 14 TYR HD1 H 1 7.111 0.020 . 1 . . . A 14 TYR HD1 . 17805 1 157 . 1 1 14 14 TYR HE1 H 1 6.955 0.020 . 1 . . . A 14 TYR HE1 . 17805 1 158 . 1 1 14 14 TYR C C 13 177.990 0.400 . 1 . . . A 14 TYR C . 17805 1 159 . 1 1 14 14 TYR CA C 13 57.246 0.400 . 1 . . . A 14 TYR CA . 17805 1 160 . 1 1 14 14 TYR CB C 13 40.544 0.400 . 1 . . . A 14 TYR CB . 17805 1 161 . 1 1 14 14 TYR N N 15 122.812 0.400 . 1 . . . A 14 TYR N . 17805 1 162 . 1 1 15 15 SER H H 1 8.802 0.020 . 1 . . . A 15 SER H . 17805 1 163 . 1 1 15 15 SER HA H 1 4.747 0.020 . 1 . . . A 15 SER HA . 17805 1 164 . 1 1 15 15 SER HB2 H 1 3.714 0.020 . 2 . . . A 15 SER HB2 . 17805 1 165 . 1 1 15 15 SER HB3 H 1 3.714 0.020 . 2 . . . A 15 SER HB3 . 17805 1 166 . 1 1 15 15 SER C C 13 178.924 0.400 . 1 . . . A 15 SER C . 17805 1 167 . 1 1 15 15 SER CA C 13 58.099 0.400 . 1 . . . A 15 SER CA . 17805 1 168 . 1 1 15 15 SER CB C 13 63.394 0.400 . 1 . . . A 15 SER CB . 17805 1 169 . 1 1 15 15 SER N N 15 118.339 0.400 . 1 . . . A 15 SER N . 17805 1 170 . 1 1 16 16 VAL H H 1 9.005 0.020 . 1 . . . A 16 VAL H . 17805 1 171 . 1 1 16 16 VAL HA H 1 4.205 0.020 . 1 . . . A 16 VAL HA . 17805 1 172 . 1 1 16 16 VAL HB H 1 2.022 0.020 . 1 . . . A 16 VAL HB . 17805 1 173 . 1 1 16 16 VAL HG11 H 1 0.737 0.020 . 2 . . . A 16 VAL HG1 . 17805 1 174 . 1 1 16 16 VAL HG12 H 1 0.737 0.020 . 2 . . . A 16 VAL HG1 . 17805 1 175 . 1 1 16 16 VAL HG13 H 1 0.737 0.020 . 2 . . . A 16 VAL HG1 . 17805 1 176 . 1 1 16 16 VAL HG21 H 1 0.465 0.020 . 2 . . . A 16 VAL HG2 . 17805 1 177 . 1 1 16 16 VAL HG22 H 1 0.465 0.020 . 2 . . . A 16 VAL HG2 . 17805 1 178 . 1 1 16 16 VAL HG23 H 1 0.465 0.020 . 2 . . . A 16 VAL HG2 . 17805 1 179 . 1 1 16 16 VAL CA C 13 62.344 0.400 . 1 . . . A 16 VAL CA . 17805 1 180 . 1 1 16 16 VAL CB C 13 32.528 0.400 . 1 . . . A 16 VAL CB . 17805 1 181 . 1 1 16 16 VAL CG1 C 13 20.319 0.400 . 1 . . . A 16 VAL CG1 . 17805 1 182 . 1 1 16 16 VAL CG2 C 13 20.730 0.400 . 1 . . . A 16 VAL CG2 . 17805 1 183 . 1 1 16 16 VAL N N 15 128.611 0.400 . 1 . . . A 16 VAL N . 17805 1 184 . 1 1 17 17 THR H H 1 8.746 0.020 . 1 . . . A 17 THR H . 17805 1 185 . 1 1 17 17 THR HA H 1 4.533 0.020 . 1 . . . A 17 THR HA . 17805 1 186 . 1 1 17 17 THR HB H 1 4.389 0.020 . 1 . . . A 17 THR HB . 17805 1 187 . 1 1 17 17 THR HG21 H 1 1.016 0.020 . 1 . . . A 17 THR HG2 . 17805 1 188 . 1 1 17 17 THR HG22 H 1 1.016 0.020 . 1 . . . A 17 THR HG2 . 17805 1 189 . 1 1 17 17 THR HG23 H 1 1.016 0.020 . 1 . . . A 17 THR HG2 . 17805 1 190 . 1 1 17 17 THR C C 13 177.649 0.400 . 1 . . . A 17 THR C . 17805 1 191 . 1 1 17 17 THR CA C 13 62.331 0.400 . 1 . . . A 17 THR CA . 17805 1 192 . 1 1 17 17 THR CB C 13 70.040 0.400 . 1 . . . A 17 THR CB . 17805 1 193 . 1 1 17 17 THR CG2 C 13 21.863 0.400 . 1 . . . A 17 THR CG2 . 17805 1 194 . 1 1 17 17 THR N N 15 116.170 0.400 . 1 . . . A 17 THR N . 17805 1 195 . 1 1 18 18 THR H H 1 6.812 0.020 . 1 . . . A 18 THR H . 17805 1 196 . 1 1 18 18 THR HA H 1 4.173 0.020 . 1 . . . A 18 THR HA . 17805 1 197 . 1 1 18 18 THR HB H 1 4.270 0.020 . 1 . . . A 18 THR HB . 17805 1 198 . 1 1 18 18 THR HG21 H 1 1.012 0.020 . 1 . . . A 18 THR HG2 . 17805 1 199 . 1 1 18 18 THR HG22 H 1 1.012 0.020 . 1 . . . A 18 THR HG2 . 17805 1 200 . 1 1 18 18 THR HG23 H 1 1.012 0.020 . 1 . . . A 18 THR HG2 . 17805 1 201 . 1 1 18 18 THR C C 13 178.498 0.400 . 1 . . . A 18 THR C . 17805 1 202 . 1 1 18 18 THR CA C 13 61.772 0.400 . 1 . . . A 18 THR CA . 17805 1 203 . 1 1 18 18 THR CB C 13 69.121 0.400 . 1 . . . A 18 THR CB . 17805 1 204 . 1 1 18 18 THR CG2 C 13 22.475 0.400 . 1 . . . A 18 THR CG2 . 17805 1 205 . 1 1 18 18 THR N N 15 107.517 0.400 . 1 . . . A 18 THR N . 17805 1 206 . 1 1 19 19 LEU H H 1 8.388 0.020 . 1 . . . A 19 LEU H . 17805 1 207 . 1 1 19 19 LEU HA H 1 4.583 0.020 . 1 . . . A 19 LEU HA . 17805 1 208 . 1 1 19 19 LEU HB2 H 1 1.579 0.020 . 2 . . . A 19 LEU HB2 . 17805 1 209 . 1 1 19 19 LEU HB3 H 1 1.273 0.020 . 2 . . . A 19 LEU HB3 . 17805 1 210 . 1 1 19 19 LEU HG H 1 1.189 0.020 . 1 . . . A 19 LEU HG . 17805 1 211 . 1 1 19 19 LEU HD11 H 1 0.569 0.020 . 2 . . . A 19 LEU HD1 . 17805 1 212 . 1 1 19 19 LEU HD12 H 1 0.569 0.020 . 2 . . . A 19 LEU HD1 . 17805 1 213 . 1 1 19 19 LEU HD13 H 1 0.569 0.020 . 2 . . . A 19 LEU HD1 . 17805 1 214 . 1 1 19 19 LEU HD21 H 1 0.555 0.020 . 2 . . . A 19 LEU HD2 . 17805 1 215 . 1 1 19 19 LEU HD22 H 1 0.555 0.020 . 2 . . . A 19 LEU HD2 . 17805 1 216 . 1 1 19 19 LEU HD23 H 1 0.555 0.020 . 2 . . . A 19 LEU HD2 . 17805 1 217 . 1 1 19 19 LEU C C 13 177.299 0.400 . 1 . . . A 19 LEU C . 17805 1 218 . 1 1 19 19 LEU CA C 13 54.180 0.400 . 1 . . . A 19 LEU CA . 17805 1 219 . 1 1 19 19 LEU CB C 13 42.711 0.400 . 1 . . . A 19 LEU CB . 17805 1 220 . 1 1 19 19 LEU CG C 13 27.283 0.400 . 1 . . . A 19 LEU CG . 17805 1 221 . 1 1 19 19 LEU CD1 C 13 27.131 0.400 . 1 . . . A 19 LEU CD1 . 17805 1 222 . 1 1 19 19 LEU CD2 C 13 23.389 0.400 . 1 . . . A 19 LEU CD2 . 17805 1 223 . 1 1 19 19 LEU N N 15 123.019 0.400 . 1 . . . A 19 LEU N . 17805 1 224 . 1 1 20 20 SER H H 1 9.714 0.020 . 1 . . . A 20 SER H . 17805 1 225 . 1 1 20 20 SER HA H 1 4.863 0.020 . 1 . . . A 20 SER HA . 17805 1 226 . 1 1 20 20 SER HB2 H 1 3.793 0.020 . 2 . . . A 20 SER HB2 . 17805 1 227 . 1 1 20 20 SER HB3 H 1 3.624 0.020 . 2 . . . A 20 SER HB3 . 17805 1 228 . 1 1 20 20 SER C C 13 177.249 0.400 . 1 . . . A 20 SER C . 17805 1 229 . 1 1 20 20 SER CA C 13 56.832 0.400 . 1 . . . A 20 SER CA . 17805 1 230 . 1 1 20 20 SER CB C 13 67.845 0.400 . 1 . . . A 20 SER CB . 17805 1 231 . 1 1 20 20 SER N N 15 117.870 0.400 . 1 . . . A 20 SER N . 17805 1 232 . 1 1 21 21 GLU H H 1 8.491 0.020 . 1 . . . A 21 GLU H . 17805 1 233 . 1 1 21 21 GLU HA H 1 3.740 0.020 . 1 . . . A 21 GLU HA . 17805 1 234 . 1 1 21 21 GLU HB2 H 1 1.940 0.020 . 2 . . . A 21 GLU HB2 . 17805 1 235 . 1 1 21 21 GLU HB3 H 1 1.940 0.020 . 2 . . . A 21 GLU HB3 . 17805 1 236 . 1 1 21 21 GLU HG2 H 1 2.355 0.020 . 2 . . . A 21 GLU HG2 . 17805 1 237 . 1 1 21 21 GLU HG3 H 1 2.046 0.020 . 2 . . . A 21 GLU HG3 . 17805 1 238 . 1 1 21 21 GLU C C 13 176.555 0.400 . 1 . . . A 21 GLU C . 17805 1 239 . 1 1 21 21 GLU CA C 13 59.134 0.400 . 1 . . . A 21 GLU CA . 17805 1 240 . 1 1 21 21 GLU CB C 13 30.854 0.400 . 1 . . . A 21 GLU CB . 17805 1 241 . 1 1 21 21 GLU CG C 13 37.949 0.400 . 1 . . . A 21 GLU CG . 17805 1 242 . 1 1 21 21 GLU N N 15 116.130 0.400 . 1 . . . A 21 GLU N . 17805 1 243 . 1 1 22 22 ASP H H 1 7.936 0.020 . 1 . . . A 22 ASP H . 17805 1 244 . 1 1 22 22 ASP HA H 1 4.650 0.020 . 1 . . . A 22 ASP HA . 17805 1 245 . 1 1 22 22 ASP HB2 H 1 2.713 0.020 . 2 . . . A 22 ASP HB2 . 17805 1 246 . 1 1 22 22 ASP HB3 H 1 2.282 0.020 . 2 . . . A 22 ASP HB3 . 17805 1 247 . 1 1 22 22 ASP C C 13 176.555 0.400 . 1 . . . A 22 ASP C . 17805 1 248 . 1 1 22 22 ASP CA C 13 55.156 0.400 . 1 . . . A 22 ASP CA . 17805 1 249 . 1 1 22 22 ASP CB C 13 42.579 0.400 . 1 . . . A 22 ASP CB . 17805 1 250 . 1 1 22 22 ASP N N 15 115.741 0.400 . 1 . . . A 22 ASP N . 17805 1 251 . 1 1 23 23 ASP H H 1 7.313 0.020 . 1 . . . A 23 ASP H . 17805 1 252 . 1 1 23 23 ASP HA H 1 4.841 0.020 . 1 . . . A 23 ASP HA . 17805 1 253 . 1 1 23 23 ASP HB2 H 1 2.832 0.020 . 2 . . . A 23 ASP HB2 . 17805 1 254 . 1 1 23 23 ASP HB3 H 1 2.832 0.020 . 2 . . . A 23 ASP HB3 . 17805 1 255 . 1 1 23 23 ASP C C 13 178.264 0.400 . 1 . . . A 23 ASP C . 17805 1 256 . 1 1 23 23 ASP CA C 13 55.223 0.400 . 1 . . . A 23 ASP CA . 17805 1 257 . 1 1 23 23 ASP CB C 13 42.782 0.400 . 1 . . . A 23 ASP CB . 17805 1 258 . 1 1 23 23 ASP N N 15 119.945 0.400 . 1 . . . A 23 ASP N . 17805 1 259 . 1 1 24 24 THR H H 1 9.630 0.020 . 1 . . . A 24 THR H . 17805 1 260 . 1 1 24 24 THR HA H 1 5.328 0.020 . 1 . . . A 24 THR HA . 17805 1 261 . 1 1 24 24 THR HB H 1 4.574 0.020 . 1 . . . A 24 THR HB . 17805 1 262 . 1 1 24 24 THR HG21 H 1 1.065 0.020 . 1 . . . A 24 THR HG2 . 17805 1 263 . 1 1 24 24 THR HG22 H 1 1.065 0.020 . 1 . . . A 24 THR HG2 . 17805 1 264 . 1 1 24 24 THR HG23 H 1 1.065 0.020 . 1 . . . A 24 THR HG2 . 17805 1 265 . 1 1 24 24 THR C C 13 176.363 0.400 . 1 . . . A 24 THR C . 17805 1 266 . 1 1 24 24 THR CA C 13 60.989 0.400 . 1 . . . A 24 THR CA . 17805 1 267 . 1 1 24 24 THR CB C 13 74.287 0.400 . 1 . . . A 24 THR CB . 17805 1 268 . 1 1 24 24 THR CG2 C 13 22.168 0.400 . 1 . . . A 24 THR CG2 . 17805 1 269 . 1 1 24 24 THR N N 15 107.918 0.400 . 1 . . . A 24 THR N . 17805 1 270 . 1 1 25 25 VAL H H 1 8.260 0.020 . 1 . . . A 25 VAL H . 17805 1 271 . 1 1 25 25 VAL HA H 1 3.334 0.020 . 1 . . . A 25 VAL HA . 17805 1 272 . 1 1 25 25 VAL HB H 1 2.268 0.020 . 1 . . . A 25 VAL HB . 17805 1 273 . 1 1 25 25 VAL HG11 H 1 0.812 0.020 . 2 . . . A 25 VAL HG1 . 17805 1 274 . 1 1 25 25 VAL HG12 H 1 0.812 0.020 . 2 . . . A 25 VAL HG1 . 17805 1 275 . 1 1 25 25 VAL HG13 H 1 0.812 0.020 . 2 . . . A 25 VAL HG1 . 17805 1 276 . 1 1 25 25 VAL HG21 H 1 0.741 0.020 . 2 . . . A 25 VAL HG2 . 17805 1 277 . 1 1 25 25 VAL HG22 H 1 0.741 0.020 . 2 . . . A 25 VAL HG2 . 17805 1 278 . 1 1 25 25 VAL HG23 H 1 0.741 0.020 . 2 . . . A 25 VAL HG2 . 17805 1 279 . 1 1 25 25 VAL C C 13 175.092 0.400 . 1 . . . A 25 VAL C . 17805 1 280 . 1 1 25 25 VAL CA C 13 67.626 0.400 . 1 . . . A 25 VAL CA . 17805 1 281 . 1 1 25 25 VAL CB C 13 32.149 0.400 . 1 . . . A 25 VAL CB . 17805 1 282 . 1 1 25 25 VAL CG1 C 13 24.442 0.400 . 1 . . . A 25 VAL CG1 . 17805 1 283 . 1 1 25 25 VAL CG2 C 13 21.711 0.400 . 1 . . . A 25 VAL CG2 . 17805 1 284 . 1 1 25 25 VAL N N 15 120.192 0.400 . 1 . . . A 25 VAL N . 17805 1 285 . 1 1 26 26 LEU H H 1 8.523 0.020 . 1 . . . A 26 LEU H . 17805 1 286 . 1 1 26 26 LEU HA H 1 3.872 0.020 . 1 . . . A 26 LEU HA . 17805 1 287 . 1 1 26 26 LEU HB2 H 1 1.727 0.020 . 2 . . . A 26 LEU HB2 . 17805 1 288 . 1 1 26 26 LEU HB3 H 1 1.208 0.020 . 2 . . . A 26 LEU HB3 . 17805 1 289 . 1 1 26 26 LEU HG H 1 1.459 0.020 . 1 . . . A 26 LEU HG . 17805 1 290 . 1 1 26 26 LEU HD11 H 1 0.779 0.020 . 2 . . . A 26 LEU HD1 . 17805 1 291 . 1 1 26 26 LEU HD12 H 1 0.779 0.020 . 2 . . . A 26 LEU HD1 . 17805 1 292 . 1 1 26 26 LEU HD13 H 1 0.779 0.020 . 2 . . . A 26 LEU HD1 . 17805 1 293 . 1 1 26 26 LEU HD21 H 1 0.804 0.020 . 2 . . . A 26 LEU HD2 . 17805 1 294 . 1 1 26 26 LEU HD22 H 1 0.804 0.020 . 2 . . . A 26 LEU HD2 . 17805 1 295 . 1 1 26 26 LEU HD23 H 1 0.804 0.020 . 2 . . . A 26 LEU HD2 . 17805 1 296 . 1 1 26 26 LEU C C 13 174.996 0.400 . 1 . . . A 26 LEU C . 17805 1 297 . 1 1 26 26 LEU CA C 13 58.592 0.400 . 1 . . . A 26 LEU CA . 17805 1 298 . 1 1 26 26 LEU CB C 13 41.716 0.400 . 1 . . . A 26 LEU CB . 17805 1 299 . 1 1 26 26 LEU CG C 13 27.024 0.400 . 1 . . . A 26 LEU CG . 17805 1 300 . 1 1 26 26 LEU CD1 C 13 25.810 0.400 . 1 . . . A 26 LEU CD1 . 17805 1 301 . 1 1 26 26 LEU CD2 C 13 22.569 0.400 . 1 . . . A 26 LEU CD2 . 17805 1 302 . 1 1 26 26 LEU N N 15 119.941 0.400 . 1 . . . A 26 LEU N . 17805 1 303 . 1 1 27 27 ASP H H 1 7.581 0.020 . 1 . . . A 27 ASP H . 17805 1 304 . 1 1 27 27 ASP HA H 1 4.273 0.020 . 1 . . . A 27 ASP HA . 17805 1 305 . 1 1 27 27 ASP HB2 H 1 3.127 0.020 . 2 . . . A 27 ASP HB2 . 17805 1 306 . 1 1 27 27 ASP HB3 H 1 2.514 0.020 . 2 . . . A 27 ASP HB3 . 17805 1 307 . 1 1 27 27 ASP CA C 13 58.663 0.400 . 1 . . . A 27 ASP CA . 17805 1 308 . 1 1 27 27 ASP CB C 13 40.931 0.400 . 1 . . . A 27 ASP CB . 17805 1 309 . 1 1 27 27 ASP N N 15 118.322 0.400 . 1 . . . A 27 ASP N . 17805 1 310 . 1 1 28 28 LEU H H 1 7.837 0.020 . 1 . . . A 28 LEU H . 17805 1 311 . 1 1 28 28 LEU HA H 1 4.083 0.020 . 1 . . . A 28 LEU HA . 17805 1 312 . 1 1 28 28 LEU HB2 H 1 2.377 0.020 . 2 . . . A 28 LEU HB2 . 17805 1 313 . 1 1 28 28 LEU HB3 H 1 1.203 0.020 . 2 . . . A 28 LEU HB3 . 17805 1 314 . 1 1 28 28 LEU HG H 1 1.432 0.020 . 1 . . . A 28 LEU HG . 17805 1 315 . 1 1 28 28 LEU HD11 H 1 0.808 0.020 . 2 . . . A 28 LEU HD1 . 17805 1 316 . 1 1 28 28 LEU HD12 H 1 0.808 0.020 . 2 . . . A 28 LEU HD1 . 17805 1 317 . 1 1 28 28 LEU HD13 H 1 0.808 0.020 . 2 . . . A 28 LEU HD1 . 17805 1 318 . 1 1 28 28 LEU HD21 H 1 0.682 0.020 . 2 . . . A 28 LEU HD2 . 17805 1 319 . 1 1 28 28 LEU HD22 H 1 0.682 0.020 . 2 . . . A 28 LEU HD2 . 17805 1 320 . 1 1 28 28 LEU HD23 H 1 0.682 0.020 . 2 . . . A 28 LEU HD2 . 17805 1 321 . 1 1 28 28 LEU C C 13 175.514 0.400 . 1 . . . A 28 LEU C . 17805 1 322 . 1 1 28 28 LEU CA C 13 58.772 0.400 . 1 . . . A 28 LEU CA . 17805 1 323 . 1 1 28 28 LEU CB C 13 41.225 0.400 . 1 . . . A 28 LEU CB . 17805 1 324 . 1 1 28 28 LEU CG C 13 27.837 0.400 . 1 . . . A 28 LEU CG . 17805 1 325 . 1 1 28 28 LEU CD1 C 13 23.700 0.400 . 1 . . . A 28 LEU CD1 . 17805 1 326 . 1 1 28 28 LEU CD2 C 13 26.705 0.400 . 1 . . . A 28 LEU CD2 . 17805 1 327 . 1 1 28 28 LEU N N 15 122.021 0.400 . 1 . . . A 28 LEU N . 17805 1 328 . 1 1 29 29 LYS H H 1 8.467 0.020 . 1 . . . A 29 LYS H . 17805 1 329 . 1 1 29 29 LYS HA H 1 4.520 0.020 . 1 . . . A 29 LYS HA . 17805 1 330 . 1 1 29 29 LYS HB2 H 1 1.909 0.020 . 2 . . . A 29 LYS HB2 . 17805 1 331 . 1 1 29 29 LYS HB3 H 1 1.358 0.020 . 2 . . . A 29 LYS HB3 . 17805 1 332 . 1 1 29 29 LYS HG2 H 1 1.501 0.020 . 2 . . . A 29 LYS HG2 . 17805 1 333 . 1 1 29 29 LYS HG3 H 1 1.501 0.020 . 2 . . . A 29 LYS HG3 . 17805 1 334 . 1 1 29 29 LYS HD2 H 1 1.578 0.020 . 2 . . . A 29 LYS HD2 . 17805 1 335 . 1 1 29 29 LYS HD3 H 1 1.412 0.020 . 2 . . . A 29 LYS HD3 . 17805 1 336 . 1 1 29 29 LYS HE2 H 1 2.627 0.020 . 2 . . . A 29 LYS HE2 . 17805 1 337 . 1 1 29 29 LYS HE3 H 1 2.565 0.020 . 2 . . . A 29 LYS HE3 . 17805 1 338 . 1 1 29 29 LYS C C 13 172.261 0.400 . 1 . . . A 29 LYS C . 17805 1 339 . 1 1 29 29 LYS CA C 13 59.787 0.400 . 1 . . . A 29 LYS CA . 17805 1 340 . 1 1 29 29 LYS CB C 13 34.297 0.400 . 1 . . . A 29 LYS CB . 17805 1 341 . 1 1 29 29 LYS CG C 13 26.295 0.400 . 1 . . . A 29 LYS CG . 17805 1 342 . 1 1 29 29 LYS CD C 13 30.301 0.400 . 1 . . . A 29 LYS CD . 17805 1 343 . 1 1 29 29 LYS N N 15 119.086 0.400 . 1 . . . A 29 LYS N . 17805 1 344 . 1 1 30 30 GLN H H 1 9.049 0.020 . 1 . . . A 30 GLN H . 17805 1 345 . 1 1 30 30 GLN HA H 1 3.932 0.020 . 1 . . . A 30 GLN HA . 17805 1 346 . 1 1 30 30 GLN HB2 H 1 2.130 0.020 . 2 . . . A 30 GLN HB2 . 17805 1 347 . 1 1 30 30 GLN HB3 H 1 2.049 0.020 . 2 . . . A 30 GLN HB3 . 17805 1 348 . 1 1 30 30 GLN HG2 H 1 2.477 0.020 . 2 . . . A 30 GLN HG2 . 17805 1 349 . 1 1 30 30 GLN HG3 H 1 2.297 0.020 . 2 . . . A 30 GLN HG3 . 17805 1 350 . 1 1 30 30 GLN C C 13 174.240 0.400 . 1 . . . A 30 GLN C . 17805 1 351 . 1 1 30 30 GLN CA C 13 59.663 0.400 . 1 . . . A 30 GLN CA . 17805 1 352 . 1 1 30 30 GLN CB C 13 27.806 0.400 . 1 . . . A 30 GLN CB . 17805 1 353 . 1 1 30 30 GLN CG C 13 33.829 0.400 . 1 . . . A 30 GLN CG . 17805 1 354 . 1 1 30 30 GLN N N 15 119.268 0.400 . 1 . . . A 30 GLN N . 17805 1 355 . 1 1 31 31 PHE H H 1 8.039 0.020 . 1 . . . A 31 PHE H . 17805 1 356 . 1 1 31 31 PHE HA H 1 4.218 0.020 . 1 . . . A 31 PHE HA . 17805 1 357 . 1 1 31 31 PHE HB2 H 1 3.158 0.020 . 2 . . . A 31 PHE HB2 . 17805 1 358 . 1 1 31 31 PHE HB3 H 1 3.158 0.020 . 2 . . . A 31 PHE HB3 . 17805 1 359 . 1 1 31 31 PHE HD1 H 1 7.020 0.020 . 1 . . . A 31 PHE HD1 . 17805 1 360 . 1 1 31 31 PHE C C 13 173.970 0.400 . 1 . . . A 31 PHE C . 17805 1 361 . 1 1 31 31 PHE CA C 13 61.967 0.400 . 1 . . . A 31 PHE CA . 17805 1 362 . 1 1 31 31 PHE CB C 13 39.374 0.400 . 1 . . . A 31 PHE CB . 17805 1 363 . 1 1 31 31 PHE N N 15 121.690 0.400 . 1 . . . A 31 PHE N . 17805 1 364 . 1 1 32 32 LEU H H 1 8.776 0.020 . 1 . . . A 32 LEU H . 17805 1 365 . 1 1 32 32 LEU HA H 1 3.637 0.020 . 1 . . . A 32 LEU HA . 17805 1 366 . 1 1 32 32 LEU HB2 H 1 2.181 0.020 . 2 . . . A 32 LEU HB2 . 17805 1 367 . 1 1 32 32 LEU HB3 H 1 0.745 0.020 . 2 . . . A 32 LEU HB3 . 17805 1 368 . 1 1 32 32 LEU HG H 1 1.826 0.020 . 1 . . . A 32 LEU HG . 17805 1 369 . 1 1 32 32 LEU HD11 H 1 0.754 0.020 . 2 . . . A 32 LEU HD1 . 17805 1 370 . 1 1 32 32 LEU HD12 H 1 0.754 0.020 . 2 . . . A 32 LEU HD1 . 17805 1 371 . 1 1 32 32 LEU HD13 H 1 0.754 0.020 . 2 . . . A 32 LEU HD1 . 17805 1 372 . 1 1 32 32 LEU HD21 H 1 0.545 0.020 . 2 . . . A 32 LEU HD2 . 17805 1 373 . 1 1 32 32 LEU HD22 H 1 0.545 0.020 . 2 . . . A 32 LEU HD2 . 17805 1 374 . 1 1 32 32 LEU HD23 H 1 0.545 0.020 . 2 . . . A 32 LEU HD2 . 17805 1 375 . 1 1 32 32 LEU C C 13 172.367 0.400 . 1 . . . A 32 LEU C . 17805 1 376 . 1 1 32 32 LEU CA C 13 57.708 0.400 . 1 . . . A 32 LEU CA . 17805 1 377 . 1 1 32 32 LEU CB C 13 41.270 0.400 . 1 . . . A 32 LEU CB . 17805 1 378 . 1 1 32 32 LEU CG C 13 27.568 0.400 . 1 . . . A 32 LEU CG . 17805 1 379 . 1 1 32 32 LEU CD1 C 13 26.420 0.400 . 1 . . . A 32 LEU CD1 . 17805 1 380 . 1 1 32 32 LEU CD2 C 13 22.100 0.400 . 1 . . . A 32 LEU CD2 . 17805 1 381 . 1 1 32 32 LEU N N 15 118.232 0.400 . 1 . . . A 32 LEU N . 17805 1 382 . 1 1 33 33 LYS H H 1 8.237 0.020 . 1 . . . A 33 LYS H . 17805 1 383 . 1 1 33 33 LYS HA H 1 3.802 0.020 . 1 . . . A 33 LYS HA . 17805 1 384 . 1 1 33 33 LYS HB2 H 1 2.010 0.020 . 2 . . . A 33 LYS HB2 . 17805 1 385 . 1 1 33 33 LYS HB3 H 1 1.675 0.020 . 2 . . . A 33 LYS HB3 . 17805 1 386 . 1 1 33 33 LYS HG2 H 1 1.203 0.020 . 2 . . . A 33 LYS HG2 . 17805 1 387 . 1 1 33 33 LYS HG3 H 1 0.983 0.020 . 2 . . . A 33 LYS HG3 . 17805 1 388 . 1 1 33 33 LYS HD2 H 1 1.497 0.020 . 2 . . . A 33 LYS HD2 . 17805 1 389 . 1 1 33 33 LYS HD3 H 1 1.373 0.020 . 2 . . . A 33 LYS HD3 . 17805 1 390 . 1 1 33 33 LYS HE2 H 1 2.735 0.020 . 2 . . . A 33 LYS HE2 . 17805 1 391 . 1 1 33 33 LYS C C 13 173.820 0.400 . 1 . . . A 33 LYS C . 17805 1 392 . 1 1 33 33 LYS CA C 13 60.116 0.400 . 1 . . . A 33 LYS CA . 17805 1 393 . 1 1 33 33 LYS CB C 13 31.701 0.400 . 1 . . . A 33 LYS CB . 17805 1 394 . 1 1 33 33 LYS CG C 13 24.887 0.400 . 1 . . . A 33 LYS CG . 17805 1 395 . 1 1 33 33 LYS CD C 13 29.513 0.400 . 1 . . . A 33 LYS CD . 17805 1 396 . 1 1 33 33 LYS N N 15 125.920 0.400 . 1 . . . A 33 LYS N . 17805 1 397 . 1 1 34 34 THR H H 1 7.281 0.020 . 1 . . . A 34 THR H . 17805 1 398 . 1 1 34 34 THR HA H 1 3.773 0.020 . 1 . . . A 34 THR HA . 17805 1 399 . 1 1 34 34 THR HB H 1 4.027 0.020 . 1 . . . A 34 THR HB . 17805 1 400 . 1 1 34 34 THR HG21 H 1 1.101 0.020 . 1 . . . A 34 THR HG2 . 17805 1 401 . 1 1 34 34 THR HG22 H 1 1.101 0.020 . 1 . . . A 34 THR HG2 . 17805 1 402 . 1 1 34 34 THR HG23 H 1 1.101 0.020 . 1 . . . A 34 THR HG2 . 17805 1 403 . 1 1 34 34 THR C C 13 177.649 0.400 . 1 . . . A 34 THR C . 17805 1 404 . 1 1 34 34 THR CA C 13 65.749 0.400 . 1 . . . A 34 THR CA . 17805 1 405 . 1 1 34 34 THR CB C 13 68.620 0.400 . 1 . . . A 34 THR CB . 17805 1 406 . 1 1 34 34 THR CG2 C 13 22.068 0.400 . 1 . . . A 34 THR CG2 . 17805 1 407 . 1 1 34 34 THR N N 15 114.544 0.400 . 1 . . . A 34 THR N . 17805 1 408 . 1 1 35 35 LEU H H 1 6.752 0.020 . 1 . . . A 35 LEU H . 17805 1 409 . 1 1 35 35 LEU HA H 1 4.018 0.020 . 1 . . . A 35 LEU HA . 17805 1 410 . 1 1 35 35 LEU HB2 H 1 1.118 0.020 . 2 . . . A 35 LEU HB2 . 17805 1 411 . 1 1 35 35 LEU HB3 H 1 1.045 0.020 . 2 . . . A 35 LEU HB3 . 17805 1 412 . 1 1 35 35 LEU HG H 1 1.172 0.020 . 1 . . . A 35 LEU HG . 17805 1 413 . 1 1 35 35 LEU HD11 H 1 0.614 0.020 . 2 . . . A 35 LEU HD1 . 17805 1 414 . 1 1 35 35 LEU HD12 H 1 0.614 0.020 . 2 . . . A 35 LEU HD1 . 17805 1 415 . 1 1 35 35 LEU HD13 H 1 0.614 0.020 . 2 . . . A 35 LEU HD1 . 17805 1 416 . 1 1 35 35 LEU HD21 H 1 0.620 0.020 . 2 . . . A 35 LEU HD2 . 17805 1 417 . 1 1 35 35 LEU HD22 H 1 0.620 0.020 . 2 . . . A 35 LEU HD2 . 17805 1 418 . 1 1 35 35 LEU HD23 H 1 0.620 0.020 . 2 . . . A 35 LEU HD2 . 17805 1 419 . 1 1 35 35 LEU C C 13 175.105 0.400 . 1 . . . A 35 LEU C . 17805 1 420 . 1 1 35 35 LEU CA C 13 57.015 0.400 . 1 . . . A 35 LEU CA . 17805 1 421 . 1 1 35 35 LEU CB C 13 44.003 0.400 . 1 . . . A 35 LEU CB . 17805 1 422 . 1 1 35 35 LEU CG C 13 26.566 0.400 . 1 . . . A 35 LEU CG . 17805 1 423 . 1 1 35 35 LEU CD1 C 13 25.790 0.400 . 1 . . . A 35 LEU CD1 . 17805 1 424 . 1 1 35 35 LEU CD2 C 13 22.495 0.400 . 1 . . . A 35 LEU CD2 . 17805 1 425 . 1 1 35 35 LEU N N 15 117.590 0.400 . 1 . . . A 35 LEU N . 17805 1 426 . 1 1 36 36 THR H H 1 7.675 0.020 . 1 . . . A 36 THR H . 17805 1 427 . 1 1 36 36 THR HA H 1 3.967 0.020 . 1 . . . A 36 THR HA . 17805 1 428 . 1 1 36 36 THR HB H 1 2.435 0.020 . 1 . . . A 36 THR HB . 17805 1 429 . 1 1 36 36 THR HG21 H 1 0.126 0.020 . 1 . . . A 36 THR HG2 . 17805 1 430 . 1 1 36 36 THR HG22 H 1 0.126 0.020 . 1 . . . A 36 THR HG2 . 17805 1 431 . 1 1 36 36 THR HG23 H 1 0.126 0.020 . 1 . . . A 36 THR HG2 . 17805 1 432 . 1 1 36 36 THR C C 13 178.094 0.400 . 1 . . . A 36 THR C . 17805 1 433 . 1 1 36 36 THR CA C 13 62.756 0.400 . 1 . . . A 36 THR CA . 17805 1 434 . 1 1 36 36 THR CB C 13 72.343 0.400 . 1 . . . A 36 THR CB . 17805 1 435 . 1 1 36 36 THR CG2 C 13 20.417 0.400 . 1 . . . A 36 THR CG2 . 17805 1 436 . 1 1 36 36 THR N N 15 104.865 0.400 . 1 . . . A 36 THR N . 17805 1 437 . 1 1 37 37 GLY H H 1 7.971 0.020 . 1 . . . A 37 GLY H . 17805 1 438 . 1 1 37 37 GLY HA2 H 1 4.039 0.020 . 2 . . . A 37 GLY HA2 . 17805 1 439 . 1 1 37 37 GLY HA3 H 1 3.532 0.020 . 2 . . . A 37 GLY HA3 . 17805 1 440 . 1 1 37 37 GLY C C 13 179.368 0.400 . 1 . . . A 37 GLY C . 17805 1 441 . 1 1 37 37 GLY CA C 13 45.559 0.400 . 1 . . . A 37 GLY CA . 17805 1 442 . 1 1 37 37 GLY N N 15 109.795 0.400 . 1 . . . A 37 GLY N . 17805 1 443 . 1 1 38 38 VAL H H 1 7.533 0.020 . 1 . . . A 38 VAL H . 17805 1 444 . 1 1 38 38 VAL HA H 1 3.638 0.020 . 1 . . . A 38 VAL HA . 17805 1 445 . 1 1 38 38 VAL HB H 1 1.175 0.020 . 1 . . . A 38 VAL HB . 17805 1 446 . 1 1 38 38 VAL HG11 H 1 0.598 0.020 . 2 . . . A 38 VAL HG1 . 17805 1 447 . 1 1 38 38 VAL HG12 H 1 0.598 0.020 . 2 . . . A 38 VAL HG1 . 17805 1 448 . 1 1 38 38 VAL HG13 H 1 0.598 0.020 . 2 . . . A 38 VAL HG1 . 17805 1 449 . 1 1 38 38 VAL HG21 H 1 0.041 0.020 . 2 . . . A 38 VAL HG2 . 17805 1 450 . 1 1 38 38 VAL HG22 H 1 0.041 0.020 . 2 . . . A 38 VAL HG2 . 17805 1 451 . 1 1 38 38 VAL HG23 H 1 0.041 0.020 . 2 . . . A 38 VAL HG2 . 17805 1 452 . 1 1 38 38 VAL C C 13 177.289 0.400 . 1 . . . A 38 VAL C . 17805 1 453 . 1 1 38 38 VAL CA C 13 62.437 0.400 . 1 . . . A 38 VAL CA . 17805 1 454 . 1 1 38 38 VAL CB C 13 31.390 0.400 . 1 . . . A 38 VAL CB . 17805 1 455 . 1 1 38 38 VAL CG1 C 13 22.264 0.400 . 1 . . . A 38 VAL CG1 . 17805 1 456 . 1 1 38 38 VAL CG2 C 13 22.061 0.400 . 1 . . . A 38 VAL CG2 . 17805 1 457 . 1 1 38 38 VAL N N 15 122.557 0.400 . 1 . . . A 38 VAL N . 17805 1 458 . 1 1 39 39 LEU H H 1 8.634 0.020 . 1 . . . A 39 LEU H . 17805 1 459 . 1 1 39 39 LEU HA H 1 3.994 0.020 . 1 . . . A 39 LEU HA . 17805 1 460 . 1 1 39 39 LEU HB2 H 1 1.588 0.020 . 2 . . . A 39 LEU HB2 . 17805 1 461 . 1 1 39 39 LEU HB3 H 1 1.322 0.020 . 2 . . . A 39 LEU HB3 . 17805 1 462 . 1 1 39 39 LEU HG H 1 1.748 0.020 . 1 . . . A 39 LEU HG . 17805 1 463 . 1 1 39 39 LEU HD11 H 1 0.844 0.020 . 2 . . . A 39 LEU HD1 . 17805 1 464 . 1 1 39 39 LEU HD12 H 1 0.844 0.020 . 2 . . . A 39 LEU HD1 . 17805 1 465 . 1 1 39 39 LEU HD13 H 1 0.844 0.020 . 2 . . . A 39 LEU HD1 . 17805 1 466 . 1 1 39 39 LEU HD21 H 1 0.800 0.020 . 2 . . . A 39 LEU HD2 . 17805 1 467 . 1 1 39 39 LEU HD22 H 1 0.800 0.020 . 2 . . . A 39 LEU HD2 . 17805 1 468 . 1 1 39 39 LEU HD23 H 1 0.800 0.020 . 2 . . . A 39 LEU HD2 . 17805 1 469 . 1 1 39 39 LEU CA C 13 54.437 0.400 . 1 . . . A 39 LEU CA . 17805 1 470 . 1 1 39 39 LEU CB C 13 40.557 0.400 . 1 . . . A 39 LEU CB . 17805 1 471 . 1 1 39 39 LEU CG C 13 27.462 0.400 . 1 . . . A 39 LEU CG . 17805 1 472 . 1 1 39 39 LEU CD1 C 13 25.515 0.400 . 1 . . . A 39 LEU CD1 . 17805 1 473 . 1 1 39 39 LEU CD2 C 13 22.806 0.400 . 1 . . . A 39 LEU CD2 . 17805 1 474 . 1 1 39 39 LEU N N 15 127.828 0.400 . 1 . . . A 39 LEU N . 17805 1 475 . 1 1 40 40 PRO HA H 1 3.839 0.020 . 1 . . . A 40 PRO HA . 17805 1 476 . 1 1 40 40 PRO HB2 H 1 1.863 0.020 . 2 . . . A 40 PRO HB2 . 17805 1 477 . 1 1 40 40 PRO HB3 H 1 1.863 0.020 . 2 . . . A 40 PRO HB3 . 17805 1 478 . 1 1 40 40 PRO HG2 H 1 2.155 0.020 . 2 . . . A 40 PRO HG2 . 17805 1 479 . 1 1 40 40 PRO HG3 H 1 1.500 0.020 . 2 . . . A 40 PRO HG3 . 17805 1 480 . 1 1 40 40 PRO HD2 H 1 3.519 0.020 . 2 . . . A 40 PRO HD2 . 17805 1 481 . 1 1 40 40 PRO HD3 H 1 3.519 0.020 . 2 . . . A 40 PRO HD3 . 17805 1 482 . 1 1 40 40 PRO C C 13 174.857 0.400 . 1 . . . A 40 PRO C . 17805 1 483 . 1 1 40 40 PRO CA C 13 66.989 0.400 . 1 . . . A 40 PRO CA . 17805 1 484 . 1 1 40 40 PRO CB C 13 32.322 0.400 . 1 . . . A 40 PRO CB . 17805 1 485 . 1 1 40 40 PRO CG C 13 27.880 0.400 . 1 . . . A 40 PRO CG . 17805 1 486 . 1 1 40 40 PRO CD C 13 50.532 0.400 . 1 . . . A 40 PRO CD . 17805 1 487 . 1 1 41 41 GLU H H 1 9.746 0.020 . 1 . . . A 41 GLU H . 17805 1 488 . 1 1 41 41 GLU HA H 1 4.071 0.020 . 1 . . . A 41 GLU HA . 17805 1 489 . 1 1 41 41 GLU HB2 H 1 1.967 0.020 . 2 . . . A 41 GLU HB2 . 17805 1 490 . 1 1 41 41 GLU HB3 H 1 1.967 0.020 . 2 . . . A 41 GLU HB3 . 17805 1 491 . 1 1 41 41 GLU HG2 H 1 2.205 0.020 . 2 . . . A 41 GLU HG2 . 17805 1 492 . 1 1 41 41 GLU HG3 H 1 2.205 0.020 . 2 . . . A 41 GLU HG3 . 17805 1 493 . 1 1 41 41 GLU C C 13 176.350 0.400 . 1 . . . A 41 GLU C . 17805 1 494 . 1 1 41 41 GLU CA C 13 58.938 0.400 . 1 . . . A 41 GLU CA . 17805 1 495 . 1 1 41 41 GLU CB C 13 28.824 0.400 . 1 . . . A 41 GLU CB . 17805 1 496 . 1 1 41 41 GLU CG C 13 36.788 0.400 . 1 . . . A 41 GLU CG . 17805 1 497 . 1 1 41 41 GLU N N 15 114.752 0.400 . 1 . . . A 41 GLU N . 17805 1 498 . 1 1 42 42 ARG H H 1 7.938 0.020 . 1 . . . A 42 ARG H . 17805 1 499 . 1 1 42 42 ARG HA H 1 4.315 0.020 . 1 . . . A 42 ARG HA . 17805 1 500 . 1 1 42 42 ARG HB2 H 1 2.132 0.020 . 2 . . . A 42 ARG HB2 . 17805 1 501 . 1 1 42 42 ARG HB3 H 1 1.731 0.020 . 2 . . . A 42 ARG HB3 . 17805 1 502 . 1 1 42 42 ARG HG2 H 1 1.620 0.020 . 2 . . . A 42 ARG HG2 . 17805 1 503 . 1 1 42 42 ARG HG3 H 1 1.433 0.020 . 2 . . . A 42 ARG HG3 . 17805 1 504 . 1 1 42 42 ARG HD2 H 1 3.192 0.020 . 2 . . . A 42 ARG HD2 . 17805 1 505 . 1 1 42 42 ARG HD3 H 1 3.192 0.020 . 2 . . . A 42 ARG HD3 . 17805 1 506 . 1 1 42 42 ARG C C 13 177.731 0.400 . 1 . . . A 42 ARG C . 17805 1 507 . 1 1 42 42 ARG CA C 13 55.448 0.400 . 1 . . . A 42 ARG CA . 17805 1 508 . 1 1 42 42 ARG CB C 13 31.105 0.400 . 1 . . . A 42 ARG CB . 17805 1 509 . 1 1 42 42 ARG CG C 13 28.081 0.400 . 1 . . . A 42 ARG CG . 17805 1 510 . 1 1 42 42 ARG N N 15 118.145 0.400 . 1 . . . A 42 ARG N . 17805 1 511 . 1 1 43 43 GLN H H 1 7.034 0.020 . 1 . . . A 43 GLN H . 17805 1 512 . 1 1 43 43 GLN HA H 1 4.251 0.020 . 1 . . . A 43 GLN HA . 17805 1 513 . 1 1 43 43 GLN HB2 H 1 1.642 0.020 . 2 . . . A 43 GLN HB2 . 17805 1 514 . 1 1 43 43 GLN HB3 H 1 1.642 0.020 . 2 . . . A 43 GLN HB3 . 17805 1 515 . 1 1 43 43 GLN HG2 H 1 2.260 0.020 . 2 . . . A 43 GLN HG2 . 17805 1 516 . 1 1 43 43 GLN HG3 H 1 1.846 0.020 . 2 . . . A 43 GLN HG3 . 17805 1 517 . 1 1 43 43 GLN C C 13 176.186 0.400 . 1 . . . A 43 GLN C . 17805 1 518 . 1 1 43 43 GLN CA C 13 56.537 0.400 . 1 . . . A 43 GLN CA . 17805 1 519 . 1 1 43 43 GLN CB C 13 30.992 0.400 . 1 . . . A 43 GLN CB . 17805 1 520 . 1 1 43 43 GLN CG C 13 33.714 0.400 . 1 . . . A 43 GLN CG . 17805 1 521 . 1 1 43 43 GLN N N 15 118.250 0.400 . 1 . . . A 43 GLN N . 17805 1 522 . 1 1 44 44 LYS H H 1 8.806 0.020 . 1 . . . A 44 LYS H . 17805 1 523 . 1 1 44 44 LYS HA H 1 4.464 0.020 . 1 . . . A 44 LYS HA . 17805 1 524 . 1 1 44 44 LYS HB2 H 1 1.672 0.020 . 2 . . . A 44 LYS HB2 . 17805 1 525 . 1 1 44 44 LYS HB3 H 1 1.672 0.020 . 2 . . . A 44 LYS HB3 . 17805 1 526 . 1 1 44 44 LYS HG2 H 1 1.351 0.020 . 2 . . . A 44 LYS HG2 . 17805 1 527 . 1 1 44 44 LYS HG3 H 1 1.205 0.020 . 2 . . . A 44 LYS HG3 . 17805 1 528 . 1 1 44 44 LYS HD2 H 1 1.626 0.020 . 2 . . . A 44 LYS HD2 . 17805 1 529 . 1 1 44 44 LYS HD3 H 1 1.626 0.020 . 2 . . . A 44 LYS HD3 . 17805 1 530 . 1 1 44 44 LYS HE2 H 1 2.868 0.020 . 2 . . . A 44 LYS HE2 . 17805 1 531 . 1 1 44 44 LYS C C 13 178.040 0.400 . 1 . . . A 44 LYS C . 17805 1 532 . 1 1 44 44 LYS CA C 13 55.552 0.400 . 1 . . . A 44 LYS CA . 17805 1 533 . 1 1 44 44 LYS CB C 13 34.325 0.400 . 1 . . . A 44 LYS CB . 17805 1 534 . 1 1 44 44 LYS CG C 13 25.132 0.400 . 1 . . . A 44 LYS CG . 17805 1 535 . 1 1 44 44 LYS CD C 13 29.805 0.400 . 1 . . . A 44 LYS CD . 17805 1 536 . 1 1 44 44 LYS N N 15 122.693 0.400 . 1 . . . A 44 LYS N . 17805 1 537 . 1 1 45 45 LEU H H 1 8.704 0.020 . 1 . . . A 45 LEU H . 17805 1 538 . 1 1 45 45 LEU HA H 1 4.943 0.020 . 1 . . . A 45 LEU HA . 17805 1 539 . 1 1 45 45 LEU HB2 H 1 1.810 0.020 . 2 . . . A 45 LEU HB2 . 17805 1 540 . 1 1 45 45 LEU HB3 H 1 1.040 0.020 . 2 . . . A 45 LEU HB3 . 17805 1 541 . 1 1 45 45 LEU HG H 1 1.444 0.020 . 1 . . . A 45 LEU HG . 17805 1 542 . 1 1 45 45 LEU HD11 H 1 0.743 0.020 . 2 . . . A 45 LEU HD1 . 17805 1 543 . 1 1 45 45 LEU HD12 H 1 0.743 0.020 . 2 . . . A 45 LEU HD1 . 17805 1 544 . 1 1 45 45 LEU HD13 H 1 0.743 0.020 . 2 . . . A 45 LEU HD1 . 17805 1 545 . 1 1 45 45 LEU HD21 H 1 0.655 0.020 . 2 . . . A 45 LEU HD2 . 17805 1 546 . 1 1 45 45 LEU HD22 H 1 0.655 0.020 . 2 . . . A 45 LEU HD2 . 17805 1 547 . 1 1 45 45 LEU HD23 H 1 0.655 0.020 . 2 . . . A 45 LEU HD2 . 17805 1 548 . 1 1 45 45 LEU C C 13 176.506 0.400 . 1 . . . A 45 LEU C . 17805 1 549 . 1 1 45 45 LEU CA C 13 53.542 0.400 . 1 . . . A 45 LEU CA . 17805 1 550 . 1 1 45 45 LEU CB C 13 41.821 0.400 . 1 . . . A 45 LEU CB . 17805 1 551 . 1 1 45 45 LEU CD1 C 13 26.893 0.400 . 1 . . . A 45 LEU CD1 . 17805 1 552 . 1 1 45 45 LEU CD2 C 13 23.357 0.400 . 1 . . . A 45 LEU CD2 . 17805 1 553 . 1 1 45 45 LEU N N 15 124.806 0.400 . 1 . . . A 45 LEU N . 17805 1 554 . 1 1 46 46 LEU H H 1 8.751 0.020 . 1 . . . A 46 LEU H . 17805 1 555 . 1 1 46 46 LEU HA H 1 4.358 0.020 . 1 . . . A 46 LEU HA . 17805 1 556 . 1 1 46 46 LEU HB2 H 1 1.710 0.020 . 2 . . . A 46 LEU HB2 . 17805 1 557 . 1 1 46 46 LEU HB3 H 1 1.552 0.020 . 2 . . . A 46 LEU HB3 . 17805 1 558 . 1 1 46 46 LEU HG H 1 1.573 0.020 . 1 . . . A 46 LEU HG . 17805 1 559 . 1 1 46 46 LEU HD11 H 1 0.859 0.020 . 2 . . . A 46 LEU HD1 . 17805 1 560 . 1 1 46 46 LEU HD12 H 1 0.859 0.020 . 2 . . . A 46 LEU HD1 . 17805 1 561 . 1 1 46 46 LEU HD13 H 1 0.859 0.020 . 2 . . . A 46 LEU HD1 . 17805 1 562 . 1 1 46 46 LEU HD21 H 1 0.791 0.020 . 2 . . . A 46 LEU HD2 . 17805 1 563 . 1 1 46 46 LEU HD22 H 1 0.791 0.020 . 2 . . . A 46 LEU HD2 . 17805 1 564 . 1 1 46 46 LEU HD23 H 1 0.791 0.020 . 2 . . . A 46 LEU HD2 . 17805 1 565 . 1 1 46 46 LEU C C 13 175.289 0.400 . 1 . . . A 46 LEU C . 17805 1 566 . 1 1 46 46 LEU CA C 13 55.759 0.400 . 1 . . . A 46 LEU CA . 17805 1 567 . 1 1 46 46 LEU CB C 13 42.526 0.400 . 1 . . . A 46 LEU CB . 17805 1 568 . 1 1 46 46 LEU CG C 13 27.850 0.400 . 1 . . . A 46 LEU CG . 17805 1 569 . 1 1 46 46 LEU CD1 C 13 25.437 0.400 . 1 . . . A 46 LEU CD1 . 17805 1 570 . 1 1 46 46 LEU CD2 C 13 23.705 0.400 . 1 . . . A 46 LEU CD2 . 17805 1 571 . 1 1 46 46 LEU N N 15 124.709 0.400 . 1 . . . A 46 LEU N . 17805 1 572 . 1 1 47 47 GLY H H 1 8.300 0.020 . 1 . . . A 47 GLY H . 17805 1 573 . 1 1 47 47 GLY HA2 H 1 4.167 0.020 . 2 . . . A 47 GLY HA2 . 17805 1 574 . 1 1 47 47 GLY HA3 H 1 3.651 0.020 . 2 . . . A 47 GLY HA3 . 17805 1 575 . 1 1 47 47 GLY C C 13 179.057 0.400 . 1 . . . A 47 GLY C . 17805 1 576 . 1 1 47 47 GLY CA C 13 45.560 0.400 . 1 . . . A 47 GLY CA . 17805 1 577 . 1 1 47 47 GLY N N 15 109.276 0.400 . 1 . . . A 47 GLY N . 17805 1 578 . 1 1 48 48 LEU H H 1 7.581 0.020 . 1 . . . A 48 LEU H . 17805 1 579 . 1 1 48 48 LEU HA H 1 4.590 0.020 . 1 . . . A 48 LEU HA . 17805 1 580 . 1 1 48 48 LEU HB2 H 1 1.791 0.020 . 2 . . . A 48 LEU HB2 . 17805 1 581 . 1 1 48 48 LEU HB3 H 1 1.222 0.020 . 2 . . . A 48 LEU HB3 . 17805 1 582 . 1 1 48 48 LEU HG H 1 1.424 0.020 . 1 . . . A 48 LEU HG . 17805 1 583 . 1 1 48 48 LEU HD11 H 1 0.731 0.020 . 2 . . . A 48 LEU HD1 . 17805 1 584 . 1 1 48 48 LEU HD12 H 1 0.731 0.020 . 2 . . . A 48 LEU HD1 . 17805 1 585 . 1 1 48 48 LEU HD13 H 1 0.731 0.020 . 2 . . . A 48 LEU HD1 . 17805 1 586 . 1 1 48 48 LEU HD21 H 1 0.743 0.020 . 2 . . . A 48 LEU HD2 . 17805 1 587 . 1 1 48 48 LEU HD22 H 1 0.743 0.020 . 2 . . . A 48 LEU HD2 . 17805 1 588 . 1 1 48 48 LEU HD23 H 1 0.743 0.020 . 2 . . . A 48 LEU HD2 . 17805 1 589 . 1 1 48 48 LEU C C 13 177.598 0.400 . 1 . . . A 48 LEU C . 17805 1 590 . 1 1 48 48 LEU CA C 13 53.945 0.400 . 1 . . . A 48 LEU CA . 17805 1 591 . 1 1 48 48 LEU CB C 13 41.414 0.400 . 1 . . . A 48 LEU CB . 17805 1 592 . 1 1 48 48 LEU CG C 13 26.780 0.400 . 1 . . . A 48 LEU CG . 17805 1 593 . 1 1 48 48 LEU CD1 C 13 26.385 0.400 . 1 . . . A 48 LEU CD1 . 17805 1 594 . 1 1 48 48 LEU CD2 C 13 24.095 0.400 . 1 . . . A 48 LEU CD2 . 17805 1 595 . 1 1 48 48 LEU N N 15 119.707 0.400 . 1 . . . A 48 LEU N . 17805 1 596 . 1 1 49 49 LYS H H 1 8.606 0.020 . 1 . . . A 49 LYS H . 17805 1 597 . 1 1 49 49 LYS HA H 1 4.852 0.020 . 1 . . . A 49 LYS HA . 17805 1 598 . 1 1 49 49 LYS HB2 H 1 1.543 0.020 . 2 . . . A 49 LYS HB2 . 17805 1 599 . 1 1 49 49 LYS HB3 H 1 1.318 0.020 . 2 . . . A 49 LYS HB3 . 17805 1 600 . 1 1 49 49 LYS HG2 H 1 1.117 0.020 . 2 . . . A 49 LYS HG2 . 17805 1 601 . 1 1 49 49 LYS HG3 H 1 0.929 0.020 . 2 . . . A 49 LYS HG3 . 17805 1 602 . 1 1 49 49 LYS HD2 H 1 1.373 0.020 . 2 . . . A 49 LYS HD2 . 17805 1 603 . 1 1 49 49 LYS HD3 H 1 1.373 0.020 . 2 . . . A 49 LYS HD3 . 17805 1 604 . 1 1 49 49 LYS HE2 H 1 2.761 0.020 . 2 . . . A 49 LYS HE2 . 17805 1 605 . 1 1 49 49 LYS C C 13 178.059 0.400 . 1 . . . A 49 LYS C . 17805 1 606 . 1 1 49 49 LYS CA C 13 55.663 0.400 . 1 . . . A 49 LYS CA . 17805 1 607 . 1 1 49 49 LYS CB C 13 37.581 0.400 . 1 . . . A 49 LYS CB . 17805 1 608 . 1 1 49 49 LYS CG C 13 25.451 0.400 . 1 . . . A 49 LYS CG . 17805 1 609 . 1 1 49 49 LYS CD C 13 29.855 0.400 . 1 . . . A 49 LYS CD . 17805 1 610 . 1 1 49 49 LYS N N 15 124.527 0.400 . 1 . . . A 49 LYS N . 17805 1 611 . 1 1 50 50 VAL H H 1 8.799 0.020 . 1 . . . A 50 VAL H . 17805 1 612 . 1 1 50 50 VAL HA H 1 4.113 0.020 . 1 . . . A 50 VAL HA . 17805 1 613 . 1 1 50 50 VAL HB H 1 1.882 0.020 . 1 . . . A 50 VAL HB . 17805 1 614 . 1 1 50 50 VAL HG21 H 1 0.862 0.020 . 2 . . . A 50 VAL HG2 . 17805 1 615 . 1 1 50 50 VAL HG22 H 1 0.862 0.020 . 2 . . . A 50 VAL HG2 . 17805 1 616 . 1 1 50 50 VAL HG23 H 1 0.862 0.020 . 2 . . . A 50 VAL HG2 . 17805 1 617 . 1 1 50 50 VAL CA C 13 61.865 0.400 . 1 . . . A 50 VAL CA . 17805 1 618 . 1 1 50 50 VAL CB C 13 34.734 0.400 . 1 . . . A 50 VAL CB . 17805 1 619 . 1 1 50 50 VAL CG2 C 13 21.316 0.400 . 1 . . . A 50 VAL CG2 . 17805 1 620 . 1 1 50 50 VAL N N 15 119.184 0.400 . 1 . . . A 50 VAL N . 17805 1 621 . 1 1 51 51 LYS H H 1 9.451 0.020 . 1 . . . A 51 LYS H . 17805 1 622 . 1 1 51 51 LYS HA H 1 3.824 0.020 . 1 . . . A 51 LYS HA . 17805 1 623 . 1 1 51 51 LYS HB2 H 1 1.932 0.020 . 2 . . . A 51 LYS HB2 . 17805 1 624 . 1 1 51 51 LYS HB3 H 1 1.748 0.020 . 2 . . . A 51 LYS HB3 . 17805 1 625 . 1 1 51 51 LYS HG2 H 1 1.373 0.020 . 2 . . . A 51 LYS HG2 . 17805 1 626 . 1 1 51 51 LYS HG3 H 1 1.373 0.020 . 2 . . . A 51 LYS HG3 . 17805 1 627 . 1 1 51 51 LYS HD2 H 1 1.642 0.020 . 2 . . . A 51 LYS HD2 . 17805 1 628 . 1 1 51 51 LYS HD3 H 1 1.642 0.020 . 2 . . . A 51 LYS HD3 . 17805 1 629 . 1 1 51 51 LYS HE2 H 1 2.907 0.020 . 2 . . . A 51 LYS HE2 . 17805 1 630 . 1 1 51 51 LYS C C 13 176.418 0.400 . 1 . . . A 51 LYS C . 17805 1 631 . 1 1 51 51 LYS CA C 13 57.407 0.400 . 1 . . . A 51 LYS CA . 17805 1 632 . 1 1 51 51 LYS CB C 13 30.655 0.400 . 1 . . . A 51 LYS CB . 17805 1 633 . 1 1 51 51 LYS CG C 13 25.703 0.400 . 1 . . . A 51 LYS CG . 17805 1 634 . 1 1 51 51 LYS CD C 13 29.363 0.400 . 1 . . . A 51 LYS CD . 17805 1 635 . 1 1 51 51 LYS N N 15 127.069 0.400 . 1 . . . A 51 LYS N . 17805 1 636 . 1 1 52 52 GLY H H 1 8.512 0.020 . 1 . . . A 52 GLY H . 17805 1 637 . 1 1 52 52 GLY HA2 H 1 4.096 0.020 . 2 . . . A 52 GLY HA2 . 17805 1 638 . 1 1 52 52 GLY HA3 H 1 3.498 0.020 . 2 . . . A 52 GLY HA3 . 17805 1 639 . 1 1 52 52 GLY C C 13 179.392 0.400 . 1 . . . A 52 GLY C . 17805 1 640 . 1 1 52 52 GLY CA C 13 45.810 0.400 . 1 . . . A 52 GLY CA . 17805 1 641 . 1 1 52 52 GLY N N 15 102.671 0.400 . 1 . . . A 52 GLY N . 17805 1 642 . 1 1 53 53 LYS H H 1 7.781 0.020 . 1 . . . A 53 LYS H . 17805 1 643 . 1 1 53 53 LYS HA H 1 4.829 0.020 . 1 . . . A 53 LYS HA . 17805 1 644 . 1 1 53 53 LYS HB2 H 1 1.808 0.020 . 2 . . . A 53 LYS HB2 . 17805 1 645 . 1 1 53 53 LYS HB3 H 1 1.654 0.020 . 2 . . . A 53 LYS HB3 . 17805 1 646 . 1 1 53 53 LYS HG2 H 1 1.415 0.020 . 2 . . . A 53 LYS HG2 . 17805 1 647 . 1 1 53 53 LYS HG3 H 1 1.364 0.020 . 2 . . . A 53 LYS HG3 . 17805 1 648 . 1 1 53 53 LYS HD2 H 1 1.643 0.020 . 2 . . . A 53 LYS HD2 . 17805 1 649 . 1 1 53 53 LYS HD3 H 1 1.643 0.020 . 2 . . . A 53 LYS HD3 . 17805 1 650 . 1 1 53 53 LYS HE2 H 1 2.944 0.020 . 2 . . . A 53 LYS HE2 . 17805 1 651 . 1 1 53 53 LYS CA C 13 53.616 0.400 . 1 . . . A 53 LYS CA . 17805 1 652 . 1 1 53 53 LYS CB C 13 33.940 0.400 . 1 . . . A 53 LYS CB . 17805 1 653 . 1 1 53 53 LYS CG C 13 24.975 0.400 . 1 . . . A 53 LYS CG . 17805 1 654 . 1 1 53 53 LYS CD C 13 29.251 0.400 . 1 . . . A 53 LYS CD . 17805 1 655 . 1 1 53 53 LYS N N 15 121.307 0.400 . 1 . . . A 53 LYS N . 17805 1 656 . 1 1 54 54 PRO HA H 1 4.376 0.020 . 1 . . . A 54 PRO HA . 17805 1 657 . 1 1 54 54 PRO HB2 H 1 2.329 0.020 . 2 . . . A 54 PRO HB2 . 17805 1 658 . 1 1 54 54 PRO HB3 H 1 1.799 0.020 . 2 . . . A 54 PRO HB3 . 17805 1 659 . 1 1 54 54 PRO HG2 H 1 2.111 0.020 . 2 . . . A 54 PRO HG2 . 17805 1 660 . 1 1 54 54 PRO HG3 H 1 1.911 0.020 . 2 . . . A 54 PRO HG3 . 17805 1 661 . 1 1 54 54 PRO HD2 H 1 3.831 0.020 . 2 . . . A 54 PRO HD2 . 17805 1 662 . 1 1 54 54 PRO HD3 H 1 3.540 0.020 . 2 . . . A 54 PRO HD3 . 17805 1 663 . 1 1 54 54 PRO C C 13 175.954 0.400 . 1 . . . A 54 PRO C . 17805 1 664 . 1 1 54 54 PRO CA C 13 63.817 0.400 . 1 . . . A 54 PRO CA . 17805 1 665 . 1 1 54 54 PRO CB C 13 32.151 0.400 . 1 . . . A 54 PRO CB . 17805 1 666 . 1 1 54 54 PRO CG C 13 28.450 0.400 . 1 . . . A 54 PRO CG . 17805 1 667 . 1 1 54 54 PRO CD C 13 50.874 0.400 . 1 . . . A 54 PRO CD . 17805 1 668 . 1 1 55 55 ALA H H 1 8.114 0.020 . 1 . . . A 55 ALA H . 17805 1 669 . 1 1 55 55 ALA HA H 1 4.138 0.020 . 1 . . . A 55 ALA HA . 17805 1 670 . 1 1 55 55 ALA HB1 H 1 1.107 0.020 . 1 . . . A 55 ALA HB . 17805 1 671 . 1 1 55 55 ALA HB2 H 1 1.107 0.020 . 1 . . . A 55 ALA HB . 17805 1 672 . 1 1 55 55 ALA HB3 H 1 1.107 0.020 . 1 . . . A 55 ALA HB . 17805 1 673 . 1 1 55 55 ALA C C 13 175.977 0.400 . 1 . . . A 55 ALA C . 17805 1 674 . 1 1 55 55 ALA CA C 13 52.664 0.400 . 1 . . . A 55 ALA CA . 17805 1 675 . 1 1 55 55 ALA CB C 13 20.044 0.400 . 1 . . . A 55 ALA CB . 17805 1 676 . 1 1 55 55 ALA N N 15 125.654 0.400 . 1 . . . A 55 ALA N . 17805 1 677 . 1 1 56 56 GLU H H 1 8.179 0.020 . 1 . . . A 56 GLU H . 17805 1 678 . 1 1 56 56 GLU HA H 1 4.215 0.020 . 1 . . . A 56 GLU HA . 17805 1 679 . 1 1 56 56 GLU HB2 H 1 2.264 0.020 . 2 . . . A 56 GLU HB2 . 17805 1 680 . 1 1 56 56 GLU HB3 H 1 1.911 0.020 . 2 . . . A 56 GLU HB3 . 17805 1 681 . 1 1 56 56 GLU HG2 H 1 2.372 0.020 . 2 . . . A 56 GLU HG2 . 17805 1 682 . 1 1 56 56 GLU HG3 H 1 2.288 0.020 . 2 . . . A 56 GLU HG3 . 17805 1 683 . 1 1 56 56 GLU C C 13 176.924 0.400 . 1 . . . A 56 GLU C . 17805 1 684 . 1 1 56 56 GLU CA C 13 56.089 0.400 . 1 . . . A 56 GLU CA . 17805 1 685 . 1 1 56 56 GLU CB C 13 31.086 0.400 . 1 . . . A 56 GLU CB . 17805 1 686 . 1 1 56 56 GLU CG C 13 36.809 0.400 . 1 . . . A 56 GLU CG . 17805 1 687 . 1 1 56 56 GLU N N 15 122.313 0.400 . 1 . . . A 56 GLU N . 17805 1 688 . 1 1 57 57 ASN H H 1 8.504 0.020 . 1 . . . A 57 ASN H . 17805 1 689 . 1 1 57 57 ASN HA H 1 4.229 0.020 . 1 . . . A 57 ASN HA . 17805 1 690 . 1 1 57 57 ASN HB2 H 1 2.792 0.020 . 2 . . . A 57 ASN HB2 . 17805 1 691 . 1 1 57 57 ASN HB3 H 1 2.631 0.020 . 2 . . . A 57 ASN HB3 . 17805 1 692 . 1 1 57 57 ASN C C 13 177.457 0.400 . 1 . . . A 57 ASN C . 17805 1 693 . 1 1 57 57 ASN CA C 13 55.199 0.400 . 1 . . . A 57 ASN CA . 17805 1 694 . 1 1 57 57 ASN CB C 13 39.227 0.400 . 1 . . . A 57 ASN CB . 17805 1 695 . 1 1 57 57 ASN N N 15 115.140 0.400 . 1 . . . A 57 ASN N . 17805 1 696 . 1 1 58 58 ASP H H 1 8.198 0.020 . 1 . . . A 58 ASP H . 17805 1 697 . 1 1 58 58 ASP HA H 1 4.488 0.020 . 1 . . . A 58 ASP HA . 17805 1 698 . 1 1 58 58 ASP HB2 H 1 2.741 0.020 . 2 . . . A 58 ASP HB2 . 17805 1 699 . 1 1 58 58 ASP HB3 H 1 2.522 0.020 . 2 . . . A 58 ASP HB3 . 17805 1 700 . 1 1 58 58 ASP C C 13 177.255 0.400 . 1 . . . A 58 ASP C . 17805 1 701 . 1 1 58 58 ASP CA C 13 53.608 0.400 . 1 . . . A 58 ASP CA . 17805 1 702 . 1 1 58 58 ASP CB C 13 40.304 0.400 . 1 . . . A 58 ASP CB . 17805 1 703 . 1 1 58 58 ASP N N 15 112.832 0.400 . 1 . . . A 58 ASP N . 17805 1 704 . 1 1 59 59 VAL H H 1 7.353 0.020 . 1 . . . A 59 VAL H . 17805 1 705 . 1 1 59 59 VAL HA H 1 3.593 0.020 . 1 . . . A 59 VAL HA . 17805 1 706 . 1 1 59 59 VAL HB H 1 2.024 0.020 . 1 . . . A 59 VAL HB . 17805 1 707 . 1 1 59 59 VAL HG11 H 1 0.975 0.020 . 2 . . . A 59 VAL HG1 . 17805 1 708 . 1 1 59 59 VAL HG12 H 1 0.975 0.020 . 2 . . . A 59 VAL HG1 . 17805 1 709 . 1 1 59 59 VAL HG13 H 1 0.975 0.020 . 2 . . . A 59 VAL HG1 . 17805 1 710 . 1 1 59 59 VAL HG21 H 1 0.866 0.020 . 2 . . . A 59 VAL HG2 . 17805 1 711 . 1 1 59 59 VAL HG22 H 1 0.866 0.020 . 2 . . . A 59 VAL HG2 . 17805 1 712 . 1 1 59 59 VAL HG23 H 1 0.866 0.020 . 2 . . . A 59 VAL HG2 . 17805 1 713 . 1 1 59 59 VAL C C 13 177.321 0.400 . 1 . . . A 59 VAL C . 17805 1 714 . 1 1 59 59 VAL CA C 13 63.840 0.400 . 1 . . . A 59 VAL CA . 17805 1 715 . 1 1 59 59 VAL CB C 13 32.322 0.400 . 1 . . . A 59 VAL CB . 17805 1 716 . 1 1 59 59 VAL CG1 C 13 24.794 0.400 . 1 . . . A 59 VAL CG1 . 17805 1 717 . 1 1 59 59 VAL CG2 C 13 21.657 0.400 . 1 . . . A 59 VAL CG2 . 17805 1 718 . 1 1 59 59 VAL N N 15 122.073 0.400 . 1 . . . A 59 VAL N . 17805 1 719 . 1 1 60 60 LYS H H 1 8.339 0.020 . 1 . . . A 60 LYS H . 17805 1 720 . 1 1 60 60 LYS HA H 1 4.447 0.020 . 1 . . . A 60 LYS HA . 17805 1 721 . 1 1 60 60 LYS HB2 H 1 2.066 0.020 . 2 . . . A 60 LYS HB2 . 17805 1 722 . 1 1 60 60 LYS HB3 H 1 1.694 0.020 . 2 . . . A 60 LYS HB3 . 17805 1 723 . 1 1 60 60 LYS HG2 H 1 1.540 0.020 . 2 . . . A 60 LYS HG2 . 17805 1 724 . 1 1 60 60 LYS HG3 H 1 1.317 0.020 . 2 . . . A 60 LYS HG3 . 17805 1 725 . 1 1 60 60 LYS HD2 H 1 1.626 0.020 . 2 . . . A 60 LYS HD2 . 17805 1 726 . 1 1 60 60 LYS HD3 H 1 1.626 0.020 . 2 . . . A 60 LYS HD3 . 17805 1 727 . 1 1 60 60 LYS HE2 H 1 2.962 0.020 . 2 . . . A 60 LYS HE2 . 17805 1 728 . 1 1 60 60 LYS C C 13 174.649 0.400 . 1 . . . A 60 LYS C . 17805 1 729 . 1 1 60 60 LYS CA C 13 56.185 0.400 . 1 . . . A 60 LYS CA . 17805 1 730 . 1 1 60 60 LYS CB C 13 33.105 0.400 . 1 . . . A 60 LYS CB . 17805 1 731 . 1 1 60 60 LYS CG C 13 26.283 0.400 . 1 . . . A 60 LYS CG . 17805 1 732 . 1 1 60 60 LYS CD C 13 29.890 0.400 . 1 . . . A 60 LYS CD . 17805 1 733 . 1 1 60 60 LYS N N 15 125.064 0.400 . 1 . . . A 60 LYS N . 17805 1 734 . 1 1 61 61 LEU H H 1 9.423 0.020 . 1 . . . A 61 LEU H . 17805 1 735 . 1 1 61 61 LEU HA H 1 3.776 0.020 . 1 . . . A 61 LEU HA . 17805 1 736 . 1 1 61 61 LEU HB2 H 1 1.754 0.020 . 2 . . . A 61 LEU HB2 . 17805 1 737 . 1 1 61 61 LEU HB3 H 1 1.044 0.020 . 2 . . . A 61 LEU HB3 . 17805 1 738 . 1 1 61 61 LEU HG H 1 1.392 0.020 . 1 . . . A 61 LEU HG . 17805 1 739 . 1 1 61 61 LEU HD11 H 1 0.683 0.020 . 2 . . . A 61 LEU HD1 . 17805 1 740 . 1 1 61 61 LEU HD12 H 1 0.683 0.020 . 2 . . . A 61 LEU HD1 . 17805 1 741 . 1 1 61 61 LEU HD13 H 1 0.683 0.020 . 2 . . . A 61 LEU HD1 . 17805 1 742 . 1 1 61 61 LEU HD21 H 1 0.509 0.020 . 2 . . . A 61 LEU HD2 . 17805 1 743 . 1 1 61 61 LEU HD22 H 1 0.509 0.020 . 2 . . . A 61 LEU HD2 . 17805 1 744 . 1 1 61 61 LEU HD23 H 1 0.509 0.020 . 2 . . . A 61 LEU HD2 . 17805 1 745 . 1 1 61 61 LEU C C 13 171.906 0.400 . 1 . . . A 61 LEU C . 17805 1 746 . 1 1 61 61 LEU CA C 13 57.987 0.400 . 1 . . . A 61 LEU CA . 17805 1 747 . 1 1 61 61 LEU CB C 13 40.832 0.400 . 1 . . . A 61 LEU CB . 17805 1 748 . 1 1 61 61 LEU CG C 13 27.807 0.400 . 1 . . . A 61 LEU CG . 17805 1 749 . 1 1 61 61 LEU CD1 C 13 26.090 0.400 . 1 . . . A 61 LEU CD1 . 17805 1 750 . 1 1 61 61 LEU CD2 C 13 22.557 0.400 . 1 . . . A 61 LEU CD2 . 17805 1 751 . 1 1 61 61 LEU N N 15 121.612 0.400 . 1 . . . A 61 LEU N . 17805 1 752 . 1 1 62 62 GLY H H 1 9.107 0.020 . 1 . . . A 62 GLY H . 17805 1 753 . 1 1 62 62 GLY HA2 H 1 3.994 0.020 . 2 . . . A 62 GLY HA2 . 17805 1 754 . 1 1 62 62 GLY HA3 H 1 3.865 0.020 . 2 . . . A 62 GLY HA3 . 17805 1 755 . 1 1 62 62 GLY C C 13 177.869 0.400 . 1 . . . A 62 GLY C . 17805 1 756 . 1 1 62 62 GLY CA C 13 46.772 0.400 . 1 . . . A 62 GLY CA . 17805 1 757 . 1 1 62 62 GLY N N 15 104.008 0.400 . 1 . . . A 62 GLY N . 17805 1 758 . 1 1 63 63 ALA H H 1 7.755 0.020 . 1 . . . A 63 ALA H . 17805 1 759 . 1 1 63 63 ALA HA H 1 4.273 0.020 . 1 . . . A 63 ALA HA . 17805 1 760 . 1 1 63 63 ALA HB1 H 1 1.471 0.020 . 1 . . . A 63 ALA HB . 17805 1 761 . 1 1 63 63 ALA HB2 H 1 1.471 0.020 . 1 . . . A 63 ALA HB . 17805 1 762 . 1 1 63 63 ALA HB3 H 1 1.471 0.020 . 1 . . . A 63 ALA HB . 17805 1 763 . 1 1 63 63 ALA C C 13 174.499 0.400 . 1 . . . A 63 ALA C . 17805 1 764 . 1 1 63 63 ALA CA C 13 53.421 0.400 . 1 . . . A 63 ALA CA . 17805 1 765 . 1 1 63 63 ALA CB C 13 18.816 0.400 . 1 . . . A 63 ALA CB . 17805 1 766 . 1 1 63 63 ALA N N 15 122.025 0.400 . 1 . . . A 63 ALA N . 17805 1 767 . 1 1 64 64 LEU H H 1 7.214 0.020 . 1 . . . A 64 LEU H . 17805 1 768 . 1 1 64 64 LEU HA H 1 4.068 0.020 . 1 . . . A 64 LEU HA . 17805 1 769 . 1 1 64 64 LEU HB2 H 1 1.492 0.020 . 2 . . . A 64 LEU HB2 . 17805 1 770 . 1 1 64 64 LEU HB3 H 1 1.862 0.020 . 2 . . . A 64 LEU HB3 . 17805 1 771 . 1 1 64 64 LEU HG H 1 1.646 0.020 . 1 . . . A 64 LEU HG . 17805 1 772 . 1 1 64 64 LEU HD11 H 1 0.744 0.020 . 2 . . . A 64 LEU HD1 . 17805 1 773 . 1 1 64 64 LEU HD12 H 1 0.744 0.020 . 2 . . . A 64 LEU HD1 . 17805 1 774 . 1 1 64 64 LEU HD13 H 1 0.744 0.020 . 2 . . . A 64 LEU HD1 . 17805 1 775 . 1 1 64 64 LEU HD21 H 1 0.594 0.020 . 2 . . . A 64 LEU HD2 . 17805 1 776 . 1 1 64 64 LEU HD22 H 1 0.594 0.020 . 2 . . . A 64 LEU HD2 . 17805 1 777 . 1 1 64 64 LEU HD23 H 1 0.594 0.020 . 2 . . . A 64 LEU HD2 . 17805 1 778 . 1 1 64 64 LEU C C 13 177.197 0.400 . 1 . . . A 64 LEU C . 17805 1 779 . 1 1 64 64 LEU CA C 13 55.567 0.400 . 1 . . . A 64 LEU CA . 17805 1 780 . 1 1 64 64 LEU CB C 13 42.136 0.400 . 1 . . . A 64 LEU CB . 17805 1 781 . 1 1 64 64 LEU CG C 13 26.740 0.400 . 1 . . . A 64 LEU CG . 17805 1 782 . 1 1 64 64 LEU CD1 C 13 27.496 0.400 . 1 . . . A 64 LEU CD1 . 17805 1 783 . 1 1 64 64 LEU CD2 C 13 23.924 0.400 . 1 . . . A 64 LEU CD2 . 17805 1 784 . 1 1 64 64 LEU N N 15 115.454 0.400 . 1 . . . A 64 LEU N . 17805 1 785 . 1 1 65 65 LYS H H 1 7.642 0.020 . 1 . . . A 65 LYS H . 17805 1 786 . 1 1 65 65 LYS HA H 1 3.838 0.020 . 1 . . . A 65 LYS HA . 17805 1 787 . 1 1 65 65 LYS HB2 H 1 1.917 0.020 . 2 . . . A 65 LYS HB2 . 17805 1 788 . 1 1 65 65 LYS HB3 H 1 1.745 0.020 . 2 . . . A 65 LYS HB3 . 17805 1 789 . 1 1 65 65 LYS HG2 H 1 1.320 0.020 . 2 . . . A 65 LYS HG2 . 17805 1 790 . 1 1 65 65 LYS HG3 H 1 1.248 0.020 . 2 . . . A 65 LYS HG3 . 17805 1 791 . 1 1 65 65 LYS HD2 H 1 1.637 0.020 . 2 . . . A 65 LYS HD2 . 17805 1 792 . 1 1 65 65 LYS HD3 H 1 1.596 0.020 . 2 . . . A 65 LYS HD3 . 17805 1 793 . 1 1 65 65 LYS HE2 H 1 2.927 0.020 . 2 . . . A 65 LYS HE2 . 17805 1 794 . 1 1 65 65 LYS C C 13 177.061 0.400 . 1 . . . A 65 LYS C . 17805 1 795 . 1 1 65 65 LYS CA C 13 56.737 0.400 . 1 . . . A 65 LYS CA . 17805 1 796 . 1 1 65 65 LYS CB C 13 29.307 0.400 . 1 . . . A 65 LYS CB . 17805 1 797 . 1 1 65 65 LYS CG C 13 25.112 0.400 . 1 . . . A 65 LYS CG . 17805 1 798 . 1 1 65 65 LYS CD C 13 29.560 0.400 . 1 . . . A 65 LYS CD . 17805 1 799 . 1 1 65 65 LYS N N 15 114.830 0.400 . 1 . . . A 65 LYS N . 17805 1 800 . 1 1 66 66 LEU H H 1 8.516 0.020 . 1 . . . A 66 LEU H . 17805 1 801 . 1 1 66 66 LEU HA H 1 4.163 0.020 . 1 . . . A 66 LEU HA . 17805 1 802 . 1 1 66 66 LEU HB2 H 1 1.580 0.020 . 2 . . . A 66 LEU HB2 . 17805 1 803 . 1 1 66 66 LEU HB3 H 1 1.229 0.020 . 2 . . . A 66 LEU HB3 . 17805 1 804 . 1 1 66 66 LEU HG H 1 1.517 0.020 . 1 . . . A 66 LEU HG . 17805 1 805 . 1 1 66 66 LEU HD11 H 1 0.729 0.020 . 2 . . . A 66 LEU HD1 . 17805 1 806 . 1 1 66 66 LEU HD12 H 1 0.729 0.020 . 2 . . . A 66 LEU HD1 . 17805 1 807 . 1 1 66 66 LEU HD13 H 1 0.729 0.020 . 2 . . . A 66 LEU HD1 . 17805 1 808 . 1 1 66 66 LEU HD21 H 1 0.748 0.020 . 2 . . . A 66 LEU HD2 . 17805 1 809 . 1 1 66 66 LEU HD22 H 1 0.748 0.020 . 2 . . . A 66 LEU HD2 . 17805 1 810 . 1 1 66 66 LEU HD23 H 1 0.748 0.020 . 2 . . . A 66 LEU HD2 . 17805 1 811 . 1 1 66 66 LEU C C 13 175.393 0.400 . 1 . . . A 66 LEU C . 17805 1 812 . 1 1 66 66 LEU CA C 13 54.847 0.400 . 1 . . . A 66 LEU CA . 17805 1 813 . 1 1 66 66 LEU CB C 13 42.712 0.400 . 1 . . . A 66 LEU CB . 17805 1 814 . 1 1 66 66 LEU CG C 13 26.925 0.400 . 1 . . . A 66 LEU CG . 17805 1 815 . 1 1 66 66 LEU CD1 C 13 25.611 0.400 . 1 . . . A 66 LEU CD1 . 17805 1 816 . 1 1 66 66 LEU CD2 C 13 23.347 0.400 . 1 . . . A 66 LEU CD2 . 17805 1 817 . 1 1 66 66 LEU N N 15 119.305 0.400 . 1 . . . A 66 LEU N . 17805 1 818 . 1 1 67 67 LYS H H 1 7.955 0.020 . 1 . . . A 67 LYS H . 17805 1 819 . 1 1 67 67 LYS HA H 1 4.497 0.020 . 1 . . . A 67 LYS HA . 17805 1 820 . 1 1 67 67 LYS HB2 H 1 1.720 0.020 . 2 . . . A 67 LYS HB2 . 17805 1 821 . 1 1 67 67 LYS HB3 H 1 1.537 0.020 . 2 . . . A 67 LYS HB3 . 17805 1 822 . 1 1 67 67 LYS HG2 H 1 1.522 0.020 . 2 . . . A 67 LYS HG2 . 17805 1 823 . 1 1 67 67 LYS HG3 H 1 1.426 0.020 . 2 . . . A 67 LYS HG3 . 17805 1 824 . 1 1 67 67 LYS HE2 H 1 2.936 0.020 . 2 . . . A 67 LYS HE2 . 17805 1 825 . 1 1 67 67 LYS CA C 13 54.152 0.400 . 1 . . . A 67 LYS CA . 17805 1 826 . 1 1 67 67 LYS CB C 13 31.999 0.400 . 1 . . . A 67 LYS CB . 17805 1 827 . 1 1 67 67 LYS CG C 13 25.343 0.400 . 1 . . . A 67 LYS CG . 17805 1 828 . 1 1 67 67 LYS N N 15 121.480 0.400 . 1 . . . A 67 LYS N . 17805 1 829 . 1 1 68 68 PRO HA H 1 4.169 0.020 . 1 . . . A 68 PRO HA . 17805 1 830 . 1 1 68 68 PRO HB2 H 1 2.184 0.020 . 2 . . . A 68 PRO HB2 . 17805 1 831 . 1 1 68 68 PRO HB3 H 1 1.796 0.020 . 2 . . . A 68 PRO HB3 . 17805 1 832 . 1 1 68 68 PRO HG2 H 1 2.075 0.020 . 2 . . . A 68 PRO HG2 . 17805 1 833 . 1 1 68 68 PRO HG3 H 1 1.956 0.020 . 2 . . . A 68 PRO HG3 . 17805 1 834 . 1 1 68 68 PRO HD2 H 1 3.774 0.020 . 2 . . . A 68 PRO HD2 . 17805 1 835 . 1 1 68 68 PRO HD3 H 1 3.544 0.020 . 2 . . . A 68 PRO HD3 . 17805 1 836 . 1 1 68 68 PRO C C 13 176.609 0.400 . 1 . . . A 68 PRO C . 17805 1 837 . 1 1 68 68 PRO CA C 13 64.389 0.400 . 1 . . . A 68 PRO CA . 17805 1 838 . 1 1 68 68 PRO CB C 13 32.214 0.400 . 1 . . . A 68 PRO CB . 17805 1 839 . 1 1 68 68 PRO CG C 13 28.240 0.400 . 1 . . . A 68 PRO CG . 17805 1 840 . 1 1 68 68 PRO CD C 13 50.767 0.400 . 1 . . . A 68 PRO CD . 17805 1 841 . 1 1 69 69 ASN H H 1 8.966 0.020 . 1 . . . A 69 ASN H . 17805 1 842 . 1 1 69 69 ASN HA H 1 3.962 0.020 . 1 . . . A 69 ASN HA . 17805 1 843 . 1 1 69 69 ASN HB2 H 1 2.869 0.020 . 2 . . . A 69 ASN HB2 . 17805 1 844 . 1 1 69 69 ASN HB3 H 1 2.791 0.020 . 2 . . . A 69 ASN HB3 . 17805 1 845 . 1 1 69 69 ASN C C 13 178.824 0.400 . 1 . . . A 69 ASN C . 17805 1 846 . 1 1 69 69 ASN CA C 13 55.021 0.400 . 1 . . . A 69 ASN CA . 17805 1 847 . 1 1 69 69 ASN CB C 13 37.047 0.400 . 1 . . . A 69 ASN CB . 17805 1 848 . 1 1 69 69 ASN N N 15 115.414 0.400 . 1 . . . A 69 ASN N . 17805 1 849 . 1 1 70 70 THR H H 1 7.712 0.020 . 1 . . . A 70 THR H . 17805 1 850 . 1 1 70 70 THR HA H 1 3.949 0.020 . 1 . . . A 70 THR HA . 17805 1 851 . 1 1 70 70 THR HB H 1 3.988 0.020 . 1 . . . A 70 THR HB . 17805 1 852 . 1 1 70 70 THR HG21 H 1 1.141 0.020 . 1 . . . A 70 THR HG2 . 17805 1 853 . 1 1 70 70 THR HG22 H 1 1.141 0.020 . 1 . . . A 70 THR HG2 . 17805 1 854 . 1 1 70 70 THR HG23 H 1 1.141 0.020 . 1 . . . A 70 THR HG2 . 17805 1 855 . 1 1 70 70 THR C C 13 180.592 0.400 . 1 . . . A 70 THR C . 17805 1 856 . 1 1 70 70 THR CA C 13 65.247 0.400 . 1 . . . A 70 THR CA . 17805 1 857 . 1 1 70 70 THR CB C 13 70.132 0.400 . 1 . . . A 70 THR CB . 17805 1 858 . 1 1 70 70 THR CG2 C 13 21.760 0.400 . 1 . . . A 70 THR CG2 . 17805 1 859 . 1 1 70 70 THR N N 15 115.426 0.400 . 1 . . . A 70 THR N . 17805 1 860 . 1 1 71 71 LYS H H 1 8.284 0.020 . 1 . . . A 71 LYS H . 17805 1 861 . 1 1 71 71 LYS HA H 1 5.179 0.020 . 1 . . . A 71 LYS HA . 17805 1 862 . 1 1 71 71 LYS HB2 H 1 1.670 0.020 . 2 . . . A 71 LYS HB2 . 17805 1 863 . 1 1 71 71 LYS HB3 H 1 1.398 0.020 . 2 . . . A 71 LYS HB3 . 17805 1 864 . 1 1 71 71 LYS HG2 H 1 1.358 0.020 . 2 . . . A 71 LYS HG2 . 17805 1 865 . 1 1 71 71 LYS HG3 H 1 1.080 0.020 . 2 . . . A 71 LYS HG3 . 17805 1 866 . 1 1 71 71 LYS HD2 H 1 1.514 0.020 . 2 . . . A 71 LYS HD2 . 17805 1 867 . 1 1 71 71 LYS HD3 H 1 1.450 0.020 . 2 . . . A 71 LYS HD3 . 17805 1 868 . 1 1 71 71 LYS HE2 H 1 2.744 0.020 . 2 . . . A 71 LYS HE2 . 17805 1 869 . 1 1 71 71 LYS C C 13 177.157 0.400 . 1 . . . A 71 LYS C . 17805 1 870 . 1 1 71 71 LYS CA C 13 55.340 0.400 . 1 . . . A 71 LYS CA . 17805 1 871 . 1 1 71 71 LYS CB C 13 33.729 0.400 . 1 . . . A 71 LYS CB . 17805 1 872 . 1 1 71 71 LYS CG C 13 25.792 0.400 . 1 . . . A 71 LYS CG . 17805 1 873 . 1 1 71 71 LYS CD C 13 30.205 0.400 . 1 . . . A 71 LYS CD . 17805 1 874 . 1 1 71 71 LYS N N 15 124.603 0.400 . 1 . . . A 71 LYS N . 17805 1 875 . 1 1 72 72 ILE H H 1 9.142 0.020 . 1 . . . A 72 ILE H . 17805 1 876 . 1 1 72 72 ILE HA H 1 4.511 0.020 . 1 . . . A 72 ILE HA . 17805 1 877 . 1 1 72 72 ILE HB H 1 1.957 0.020 . 1 . . . A 72 ILE HB . 17805 1 878 . 1 1 72 72 ILE HG21 H 1 0.780 0.020 . 1 . . . A 72 ILE HG2 . 17805 1 879 . 1 1 72 72 ILE HG22 H 1 0.780 0.020 . 1 . . . A 72 ILE HG2 . 17805 1 880 . 1 1 72 72 ILE HG23 H 1 0.780 0.020 . 1 . . . A 72 ILE HG2 . 17805 1 881 . 1 1 72 72 ILE HG12 H 1 1.325 0.020 . 2 . . . A 72 ILE HG12 . 17805 1 882 . 1 1 72 72 ILE HG13 H 1 1.060 0.020 . 2 . . . A 72 ILE HG13 . 17805 1 883 . 1 1 72 72 ILE HD11 H 1 0.699 0.020 . 1 . . . A 72 ILE HD1 . 17805 1 884 . 1 1 72 72 ILE HD12 H 1 0.699 0.020 . 1 . . . A 72 ILE HD1 . 17805 1 885 . 1 1 72 72 ILE HD13 H 1 0.699 0.020 . 1 . . . A 72 ILE HD1 . 17805 1 886 . 1 1 72 72 ILE C C 13 178.360 0.400 . 1 . . . A 72 ILE C . 17805 1 887 . 1 1 72 72 ILE CA C 13 59.636 0.400 . 1 . . . A 72 ILE CA . 17805 1 888 . 1 1 72 72 ILE CB C 13 40.827 0.400 . 1 . . . A 72 ILE CB . 17805 1 889 . 1 1 72 72 ILE CG1 C 13 27.209 0.400 . 1 . . . A 72 ILE CG1 . 17805 1 890 . 1 1 72 72 ILE CG2 C 13 17.952 0.400 . 1 . . . A 72 ILE CG2 . 17805 1 891 . 1 1 72 72 ILE CD1 C 13 14.373 0.400 . 1 . . . A 72 ILE CD1 . 17805 1 892 . 1 1 72 72 ILE N N 15 123.505 0.400 . 1 . . . A 72 ILE N . 17805 1 893 . 1 1 73 73 MET H H 1 8.556 0.020 . 1 . . . A 73 MET H . 17805 1 894 . 1 1 73 73 MET HA H 1 5.122 0.020 . 1 . . . A 73 MET HA . 17805 1 895 . 1 1 73 73 MET HB2 H 1 2.009 0.020 . 2 . . . A 73 MET HB2 . 17805 1 896 . 1 1 73 73 MET HB3 H 1 2.009 0.020 . 2 . . . A 73 MET HB3 . 17805 1 897 . 1 1 73 73 MET HG2 H 1 2.584 0.020 . 2 . . . A 73 MET HG2 . 17805 1 898 . 1 1 73 73 MET HG3 H 1 2.487 0.020 . 2 . . . A 73 MET HG3 . 17805 1 899 . 1 1 73 73 MET C C 13 179.095 0.400 . 1 . . . A 73 MET C . 17805 1 900 . 1 1 73 73 MET CA C 13 54.949 0.400 . 1 . . . A 73 MET CA . 17805 1 901 . 1 1 73 73 MET CB C 13 35.143 0.400 . 1 . . . A 73 MET CB . 17805 1 902 . 1 1 73 73 MET CG C 13 32.963 0.400 . 1 . . . A 73 MET CG . 17805 1 903 . 1 1 73 73 MET N N 15 123.090 0.400 . 1 . . . A 73 MET N . 17805 1 904 . 1 1 74 74 MET H H 1 8.924 0.020 . 1 . . . A 74 MET H . 17805 1 905 . 1 1 74 74 MET HA H 1 5.288 0.020 . 1 . . . A 74 MET HA . 17805 1 906 . 1 1 74 74 MET HB2 H 1 1.908 0.020 . 2 . . . A 74 MET HB2 . 17805 1 907 . 1 1 74 74 MET HB3 H 1 1.532 0.020 . 2 . . . A 74 MET HB3 . 17805 1 908 . 1 1 74 74 MET HG2 H 1 2.260 0.020 . 2 . . . A 74 MET HG2 . 17805 1 909 . 1 1 74 74 MET HG3 H 1 2.087 0.020 . 2 . . . A 74 MET HG3 . 17805 1 910 . 1 1 74 74 MET C C 13 178.476 0.400 . 1 . . . A 74 MET C . 17805 1 911 . 1 1 74 74 MET CA C 13 54.862 0.400 . 1 . . . A 74 MET CA . 17805 1 912 . 1 1 74 74 MET CB C 13 36.294 0.400 . 1 . . . A 74 MET CB . 17805 1 913 . 1 1 74 74 MET CG C 13 33.265 0.400 . 1 . . . A 74 MET CG . 17805 1 914 . 1 1 74 74 MET N N 15 124.481 0.400 . 1 . . . A 74 MET N . 17805 1 915 . 1 1 75 75 MET H H 1 9.112 0.020 . 1 . . . A 75 MET H . 17805 1 916 . 1 1 75 75 MET HA H 1 5.093 0.020 . 1 . . . A 75 MET HA . 17805 1 917 . 1 1 75 75 MET HB2 H 1 2.180 0.020 . 2 . . . A 75 MET HB2 . 17805 1 918 . 1 1 75 75 MET HB3 H 1 1.934 0.020 . 2 . . . A 75 MET HB3 . 17805 1 919 . 1 1 75 75 MET HG2 H 1 2.583 0.020 . 2 . . . A 75 MET HG2 . 17805 1 920 . 1 1 75 75 MET HG3 H 1 2.512 0.020 . 2 . . . A 75 MET HG3 . 17805 1 921 . 1 1 75 75 MET C C 13 177.842 0.400 . 1 . . . A 75 MET C . 17805 1 922 . 1 1 75 75 MET CA C 13 54.265 0.400 . 1 . . . A 75 MET CA . 17805 1 923 . 1 1 75 75 MET CB C 13 35.566 0.400 . 1 . . . A 75 MET CB . 17805 1 924 . 1 1 75 75 MET CG C 13 32.629 0.400 . 1 . . . A 75 MET CG . 17805 1 925 . 1 1 75 75 MET N N 15 123.963 0.400 . 1 . . . A 75 MET N . 17805 1 926 . 1 1 76 76 GLY H H 1 8.711 0.020 . 1 . . . A 76 GLY H . 17805 1 927 . 1 1 76 76 GLY HA2 H 1 4.233 0.020 . 2 . . . A 76 GLY HA2 . 17805 1 928 . 1 1 76 76 GLY HA3 H 1 4.233 0.020 . 2 . . . A 76 GLY HA3 . 17805 1 929 . 1 1 76 76 GLY C C 13 180.165 0.400 . 1 . . . A 76 GLY C . 17805 1 930 . 1 1 76 76 GLY CA C 13 45.901 0.400 . 1 . . . A 76 GLY CA . 17805 1 931 . 1 1 76 76 GLY N N 15 109.773 0.400 . 1 . . . A 76 GLY N . 17805 1 932 . 1 1 77 77 THR H H 1 8.280 0.020 . 1 . . . A 77 THR H . 17805 1 933 . 1 1 77 77 THR HA H 1 4.787 0.020 . 1 . . . A 77 THR HA . 17805 1 934 . 1 1 77 77 THR HB H 1 4.207 0.020 . 1 . . . A 77 THR HB . 17805 1 935 . 1 1 77 77 THR HG21 H 1 1.207 0.020 . 1 . . . A 77 THR HG2 . 17805 1 936 . 1 1 77 77 THR HG22 H 1 1.207 0.020 . 1 . . . A 77 THR HG2 . 17805 1 937 . 1 1 77 77 THR HG23 H 1 1.207 0.020 . 1 . . . A 77 THR HG2 . 17805 1 938 . 1 1 77 77 THR C C 13 178.955 0.400 . 1 . . . A 77 THR C . 17805 1 939 . 1 1 77 77 THR CA C 13 60.728 0.400 . 1 . . . A 77 THR CA . 17805 1 940 . 1 1 77 77 THR CB C 13 71.481 0.400 . 1 . . . A 77 THR CB . 17805 1 941 . 1 1 77 77 THR CG2 C 13 22.167 0.400 . 1 . . . A 77 THR CG2 . 17805 1 942 . 1 1 77 77 THR N N 15 113.345 0.400 . 1 . . . A 77 THR N . 17805 1 943 . 1 1 78 78 ARG H H 1 8.852 0.020 . 1 . . . A 78 ARG H . 17805 1 944 . 1 1 78 78 ARG HA H 1 4.148 0.020 . 1 . . . A 78 ARG HA . 17805 1 945 . 1 1 78 78 ARG HB2 H 1 1.864 0.020 . 2 . . . A 78 ARG HB2 . 17805 1 946 . 1 1 78 78 ARG HB3 H 1 1.755 0.020 . 2 . . . A 78 ARG HB3 . 17805 1 947 . 1 1 78 78 ARG HG2 H 1 1.629 0.020 . 2 . . . A 78 ARG HG2 . 17805 1 948 . 1 1 78 78 ARG HG3 H 1 1.555 0.020 . 2 . . . A 78 ARG HG3 . 17805 1 949 . 1 1 78 78 ARG HD2 H 1 3.263 0.020 . 2 . . . A 78 ARG HD2 . 17805 1 950 . 1 1 78 78 ARG HD3 H 1 3.263 0.020 . 2 . . . A 78 ARG HD3 . 17805 1 951 . 1 1 78 78 ARG C C 13 177.011 0.400 . 1 . . . A 78 ARG C . 17805 1 952 . 1 1 78 78 ARG CA C 13 56.881 0.400 . 1 . . . A 78 ARG CA . 17805 1 953 . 1 1 78 78 ARG CB C 13 31.607 0.400 . 1 . . . A 78 ARG CB . 17805 1 954 . 1 1 78 78 ARG CG C 13 27.820 0.400 . 1 . . . A 78 ARG CG . 17805 1 955 . 1 1 78 78 ARG N N 15 122.844 0.400 . 1 . . . A 78 ARG N . 17805 1 956 . 1 1 79 79 GLU H H 1 8.300 0.020 . 1 . . . A 79 GLU H . 17805 1 957 . 1 1 79 79 GLU HA H 1 4.206 0.020 . 1 . . . A 79 GLU HA . 17805 1 958 . 1 1 79 79 GLU HB2 H 1 2.027 0.020 . 2 . . . A 79 GLU HB2 . 17805 1 959 . 1 1 79 79 GLU HB3 H 1 1.869 0.020 . 2 . . . A 79 GLU HB3 . 17805 1 960 . 1 1 79 79 GLU HG2 H 1 2.209 0.020 . 2 . . . A 79 GLU HG2 . 17805 1 961 . 1 1 79 79 GLU HG3 H 1 2.209 0.020 . 2 . . . A 79 GLU HG3 . 17805 1 962 . 1 1 79 79 GLU C C 13 176.784 0.400 . 1 . . . A 79 GLU C . 17805 1 963 . 1 1 79 79 GLU CA C 13 57.007 0.400 . 1 . . . A 79 GLU CA . 17805 1 964 . 1 1 79 79 GLU CB C 13 30.764 0.400 . 1 . . . A 79 GLU CB . 17805 1 965 . 1 1 79 79 GLU CG C 13 30.878 0.400 . 1 . . . A 79 GLU CG . 17805 1 966 . 1 1 79 79 GLU N N 15 122.181 0.400 . 1 . . . A 79 GLU N . 17805 1 967 . 1 1 80 80 GLU H H 1 8.015 0.020 . 1 . . . A 80 GLU H . 17805 1 968 . 1 1 80 80 GLU HA H 1 4.049 0.020 . 1 . . . A 80 GLU HA . 17805 1 969 . 1 1 80 80 GLU CA C 13 58.328 0.400 . 1 . . . A 80 GLU CA . 17805 1 970 . 1 1 80 80 GLU CB C 13 31.287 0.400 . 1 . . . A 80 GLU CB . 17805 1 971 . 1 1 80 80 GLU N N 15 126.965 0.400 . 1 . . . A 80 GLU N . 17805 1 stop_ save_