data_6609 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6609 _Entry.Title ; Solution structure of the ubiquitin-like domain of human DC-UBP from dendritic cells ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-26 _Entry.Accession_date 2005-04-26 _Entry.Last_release_date 2005-09-22 _Entry.Original_release_date 2005-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Yong-Guang Gao . . . 6609 2 Ai-Xin Song . . . 6609 3 Yan-Hong Shi . . . 6609 4 Yong-Ghang Chang . . . 6609 5 Dong-Hai Lin . . . 6609 6 Hong-Yu Hu . . . 6609 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6609 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 350 6609 '13C chemical shifts' 176 6609 '15N chemical shifts' 84 6609 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 . . 2005-09-22 2005-04-26 original author . 6609 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6609 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15987890 _Citation.Full_citation . _Citation.Title ; Solution structure of the ubiquitin-like domain of human DC-UbP from dendritic cells. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 8 _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 2044 _Citation.Page_last 2050 _Citation.Year 2005 _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 Yong-Guang Gao . . . 6609 1 2 Ai-Xin Song . . . 6609 1 3 Yan-Hong Shi . . . 6609 1 4 Yong-Ghang Chang . . . 6609 1 5 Shu-Xun Liu . . . 6609 1 6 Yi-Zi Yu . . . 6609 1 7 Xue-Tao Cao . . . 6609 1 8 Dong-Hai Lin . . . 6609 1 9 Hong-Yu Hu . . . 6609 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ubiquitin-like Domain' 6609 1 DC-UBP 6609 1 'Solution Structure' 6609 1 NMR 6609 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DC-UbP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DC-UbP _Assembly.Entry_ID 6609 _Assembly.ID 1 _Assembly.Name 'dendritic cell-derived ubiquitin-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6609 1 stop_ 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 'dendritic cell-derived ubiquitin-like protein' 1 $DC-UbP . . . native . . . . . 6609 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1TTN . . . . . . 6609 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'dendritic cell-derived ubiquitin-like protein' system 6609 1 DC-UbP abbreviation 6609 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DC-UbP _Entity.Sf_category entity _Entity.Sf_framecode DC-UbP _Entity.Entry_ID 6609 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'dendritic cell-derived ubiquitin-like protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIEEKSDIETLDIPEPPPNS GYECQLRLRLSTGKDLKLVV RSTDTVFHMKRRLHAAEGVE PGSQRWFFSGRPLTDKMKFE ELKIPKDYVVQVIVSQPVQN PTPVENLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1TTN . "Solution Structure Of The Ubiquitin-Like Domain Of Human Dc- Ubp From Dendritic Cells" . . . . . 92.98 106 100.00 100.00 5.45e-71 . . . . 6609 1 2 no DBJ BAG36083 . "unnamed protein product [Homo sapiens]" . . . . . 92.98 190 100.00 100.00 4.05e-70 . . . . 6609 1 3 no DBJ BAG51130 . "unnamed protein product [Homo sapiens]" . . . . . 92.98 106 100.00 100.00 5.45e-71 . . . . 6609 1 4 no GB AAH19910 . "UBTD2 protein [Homo sapiens]" . . . . . 92.98 190 100.00 100.00 4.05e-70 . . . . 6609 1 5 no GB AAL99389 . "ubiquitin-like protein SB72 [Homo sapiens]" . . . . . 92.98 106 100.00 100.00 5.45e-71 . . . . 6609 1 6 no GB AIC61103 . "UBTD2, partial [synthetic construct]" . . . . . 92.98 190 100.00 100.00 4.05e-70 . . . . 6609 1 7 no GB EAW61436 . "dendritic cell-derived ubiquitin-like protein, isoform CRA_a [Homo sapiens]" . . . . . 92.98 190 100.00 100.00 4.05e-70 . . . . 6609 1 8 no GB EAW61437 . "dendritic cell-derived ubiquitin-like protein, isoform CRA_a [Homo sapiens]" . . . . . 92.98 190 100.00 100.00 4.05e-70 . . . . 6609 1 9 no REF NP_001181019 . "ubiquitin domain-containing protein 2 [Macaca mulatta]" . . . . . 92.98 234 100.00 100.00 1.14e-69 . . . . 6609 1 10 no REF NP_689490 . "ubiquitin domain-containing protein 2 [Homo sapiens]" . . . . . 92.98 234 100.00 100.00 1.14e-69 . . . . 6609 1 11 no REF XP_002744600 . "PREDICTED: ubiquitin domain-containing protein 2 isoform X1 [Callithrix jacchus]" . . . . . 92.98 190 100.00 100.00 4.05e-70 . . . . 6609 1 12 no REF XP_002816238 . "PREDICTED: ubiquitin domain-containing protein 2 isoform X1 [Pongo abelii]" . . . . . 92.98 234 100.00 100.00 1.14e-69 . . . . 6609 1 13 no REF XP_003273289 . "PREDICTED: ubiquitin domain-containing protein 2 [Nomascus leucogenys]" . . . . . 92.98 190 100.00 100.00 4.05e-70 . . . . 6609 1 14 no SP Q8WUN7 . "RecName: Full=Ubiquitin domain-containing protein 2; AltName: Full=Dendritic cell-derived ubiquitin-like protein; Short=DC-UbP;" . . . . . 92.98 234 100.00 100.00 1.14e-69 . . . . 6609 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'dendritic cell-derived ubiquitin-like protein' common 6609 1 DC-UbP abbreviation 6609 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 . 6609 1 2 . ILE . 6609 1 3 . GLU . 6609 1 4 . GLU . 6609 1 5 . LYS . 6609 1 6 . SER . 6609 1 7 . ASP . 6609 1 8 . ILE . 6609 1 9 . GLU . 6609 1 10 . THR . 6609 1 11 . LEU . 6609 1 12 . ASP . 6609 1 13 . ILE . 6609 1 14 . PRO . 6609 1 15 . GLU . 6609 1 16 . PRO . 6609 1 17 . PRO . 6609 1 18 . PRO . 6609 1 19 . ASN . 6609 1 20 . SER . 6609 1 21 . GLY . 6609 1 22 . TYR . 6609 1 23 . GLU . 6609 1 24 . CYS . 6609 1 25 . GLN . 6609 1 26 . LEU . 6609 1 27 . ARG . 6609 1 28 . LEU . 6609 1 29 . ARG . 6609 1 30 . LEU . 6609 1 31 . SER . 6609 1 32 . THR . 6609 1 33 . GLY . 6609 1 34 . LYS . 6609 1 35 . ASP . 6609 1 36 . LEU . 6609 1 37 . LYS . 6609 1 38 . LEU . 6609 1 39 . VAL . 6609 1 40 . VAL . 6609 1 41 . ARG . 6609 1 42 . SER . 6609 1 43 . THR . 6609 1 44 . ASP . 6609 1 45 . THR . 6609 1 46 . VAL . 6609 1 47 . PHE . 6609 1 48 . HIS . 6609 1 49 . MET . 6609 1 50 . LYS . 6609 1 51 . ARG . 6609 1 52 . ARG . 6609 1 53 . LEU . 6609 1 54 . HIS . 6609 1 55 . ALA . 6609 1 56 . ALA . 6609 1 57 . GLU . 6609 1 58 . GLY . 6609 1 59 . VAL . 6609 1 60 . GLU . 6609 1 61 . PRO . 6609 1 62 . GLY . 6609 1 63 . SER . 6609 1 64 . GLN . 6609 1 65 . ARG . 6609 1 66 . TRP . 6609 1 67 . PHE . 6609 1 68 . PHE . 6609 1 69 . SER . 6609 1 70 . GLY . 6609 1 71 . ARG . 6609 1 72 . PRO . 6609 1 73 . LEU . 6609 1 74 . THR . 6609 1 75 . ASP . 6609 1 76 . LYS . 6609 1 77 . MET . 6609 1 78 . LYS . 6609 1 79 . PHE . 6609 1 80 . GLU . 6609 1 81 . GLU . 6609 1 82 . LEU . 6609 1 83 . LYS . 6609 1 84 . ILE . 6609 1 85 . PRO . 6609 1 86 . LYS . 6609 1 87 . ASP . 6609 1 88 . TYR . 6609 1 89 . VAL . 6609 1 90 . VAL . 6609 1 91 . GLN . 6609 1 92 . VAL . 6609 1 93 . ILE . 6609 1 94 . VAL . 6609 1 95 . SER . 6609 1 96 . GLN . 6609 1 97 . PRO . 6609 1 98 . VAL . 6609 1 99 . GLN . 6609 1 100 . ASN . 6609 1 101 . PRO . 6609 1 102 . THR . 6609 1 103 . PRO . 6609 1 104 . VAL . 6609 1 105 . GLU . 6609 1 106 . ASN . 6609 1 107 . LEU . 6609 1 108 . GLU . 6609 1 109 . HIS . 6609 1 110 . HIS . 6609 1 111 . HIS . 6609 1 112 . HIS . 6609 1 113 . HIS . 6609 1 114 . HIS . 6609 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 6609 1 . ILE 2 2 6609 1 . GLU 3 3 6609 1 . GLU 4 4 6609 1 . LYS 5 5 6609 1 . SER 6 6 6609 1 . ASP 7 7 6609 1 . ILE 8 8 6609 1 . GLU 9 9 6609 1 . THR 10 10 6609 1 . LEU 11 11 6609 1 . ASP 12 12 6609 1 . ILE 13 13 6609 1 . PRO 14 14 6609 1 . GLU 15 15 6609 1 . PRO 16 16 6609 1 . PRO 17 17 6609 1 . PRO 18 18 6609 1 . ASN 19 19 6609 1 . SER 20 20 6609 1 . GLY 21 21 6609 1 . TYR 22 22 6609 1 . GLU 23 23 6609 1 . CYS 24 24 6609 1 . GLN 25 25 6609 1 . LEU 26 26 6609 1 . ARG 27 27 6609 1 . LEU 28 28 6609 1 . ARG 29 29 6609 1 . LEU 30 30 6609 1 . SER 31 31 6609 1 . THR 32 32 6609 1 . GLY 33 33 6609 1 . LYS 34 34 6609 1 . ASP 35 35 6609 1 . LEU 36 36 6609 1 . LYS 37 37 6609 1 . LEU 38 38 6609 1 . VAL 39 39 6609 1 . VAL 40 40 6609 1 . ARG 41 41 6609 1 . SER 42 42 6609 1 . THR 43 43 6609 1 . ASP 44 44 6609 1 . THR 45 45 6609 1 . VAL 46 46 6609 1 . PHE 47 47 6609 1 . HIS 48 48 6609 1 . MET 49 49 6609 1 . LYS 50 50 6609 1 . ARG 51 51 6609 1 . ARG 52 52 6609 1 . LEU 53 53 6609 1 . HIS 54 54 6609 1 . ALA 55 55 6609 1 . ALA 56 56 6609 1 . GLU 57 57 6609 1 . GLY 58 58 6609 1 . VAL 59 59 6609 1 . GLU 60 60 6609 1 . PRO 61 61 6609 1 . GLY 62 62 6609 1 . SER 63 63 6609 1 . GLN 64 64 6609 1 . ARG 65 65 6609 1 . TRP 66 66 6609 1 . PHE 67 67 6609 1 . PHE 68 68 6609 1 . SER 69 69 6609 1 . GLY 70 70 6609 1 . ARG 71 71 6609 1 . PRO 72 72 6609 1 . LEU 73 73 6609 1 . THR 74 74 6609 1 . ASP 75 75 6609 1 . LYS 76 76 6609 1 . MET 77 77 6609 1 . LYS 78 78 6609 1 . PHE 79 79 6609 1 . GLU 80 80 6609 1 . GLU 81 81 6609 1 . LEU 82 82 6609 1 . LYS 83 83 6609 1 . ILE 84 84 6609 1 . PRO 85 85 6609 1 . LYS 86 86 6609 1 . ASP 87 87 6609 1 . TYR 88 88 6609 1 . VAL 89 89 6609 1 . VAL 90 90 6609 1 . GLN 91 91 6609 1 . VAL 92 92 6609 1 . ILE 93 93 6609 1 . VAL 94 94 6609 1 . SER 95 95 6609 1 . GLN 96 96 6609 1 . PRO 97 97 6609 1 . VAL 98 98 6609 1 . GLN 99 99 6609 1 . ASN 100 100 6609 1 . PRO 101 101 6609 1 . THR 102 102 6609 1 . PRO 103 103 6609 1 . VAL 104 104 6609 1 . GLU 105 105 6609 1 . ASN 106 106 6609 1 . LEU 107 107 6609 1 . GLU 108 108 6609 1 . HIS 109 109 6609 1 . HIS 110 110 6609 1 . HIS 111 111 6609 1 . HIS 112 112 6609 1 . HIS 113 113 6609 1 . HIS 114 114 6609 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 6609 _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 $DC-UbP . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6609 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 6609 _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 $DC-UbP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6609 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6609 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'dendritic cell-derived ubiquitin-like protein' [U-15N] . . 1 $DC-UbP . . 1.2 . . mM . . . . 6609 1 2 NaAc . . . . . . . 10 . . mM . . . . 6609 1 3 NaCl . . . . . . . 100 . . mM . . . . 6609 1 4 DTT . . . . . . . 5 . . mM . . . . 6609 1 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 6609 1 6 H2O . . . . . . . 92 . . % . . . . 6609 1 7 D2O . . . . . . . 8 . . % . . . . 6609 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6609 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'dendritic cell-derived ubiquitin-like protein' '[U-15N; U-13C]' . . 1 $DC-UbP . . 1.2 . . mM . . . . 6609 2 2 NaAc . . . . . . . 10 . . mM . . . . 6609 2 3 NaCl . . . . . . . 100 . . mM . . . . 6609 2 4 DTT . . . . . . . 5 . . mM . . . . 6609 2 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 6609 2 6 D2O . . . . . . . 100 . . % . . . . 6609 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6609 _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 pH 5.6 0.2 pH 6609 1 temperature 298 1 K 6609 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6609 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6609 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6609 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'Frank Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6609 2 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 6609 _Software.ID 3 _Software.Name nmrview _Software.Version 5.0 _Software.Details 'Bruce Johnson' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6609 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6609 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details 'A.T.Brunger et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6609 4 stop_ save_ save_aria _Software.Sf_category software _Software.Sf_framecode aria _Software.Entry_ID 6609 _Software.ID 5 _Software.Name aria _Software.Version 1.2 _Software.Details 'Jens Linge et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6609 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6609 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6609 _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 NMR_spectrometer Varian INOVA . 600 . . . 6609 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 6609 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6609 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6609 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6609 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6609 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6609 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6609 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6609 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6609 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6609 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6609 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6609 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6609 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 5 5 LYS H H 1 8.439 0.02 . 1 . . . . . . . . 6609 1 2 . 1 1 5 5 LYS CA C 13 56.255 0.05 . 1 . . . . . . . . 6609 1 3 . 1 1 5 5 LYS CB C 13 33.116 0.05 . 1 . . . . . . . . 6609 1 4 . 1 1 5 5 LYS N N 15 119.478 0.05 . 1 . . . . . . . . 6609 1 5 . 1 1 6 6 SER H H 1 8.439 0.02 . 1 . . . . . . . . 6609 1 6 . 1 1 6 6 SER CA C 13 58.325 0.05 . 1 . . . . . . . . 6609 1 7 . 1 1 6 6 SER CB C 13 64.308 0.05 . 1 . . . . . . . . 6609 1 8 . 1 1 6 6 SER N N 15 119.471 0.05 . 1 . . . . . . . . 6609 1 9 . 1 1 7 7 ASP H H 1 8.456 0.02 . 1 . . . . . . . . 6609 1 10 . 1 1 7 7 ASP CA C 13 54.385 0.05 . 1 . . . . . . . . 6609 1 11 . 1 1 7 7 ASP CB C 13 40.910 0.05 . 1 . . . . . . . . 6609 1 12 . 1 1 7 7 ASP N N 15 124.701 0.05 . 1 . . . . . . . . 6609 1 13 . 1 1 8 8 ILE H H 1 7.989 0.02 . 1 . . . . . . . . 6609 1 14 . 1 1 8 8 ILE CA C 13 61.450 0.05 . 1 . . . . . . . . 6609 1 15 . 1 1 8 8 ILE CB C 13 38.813 0.05 . 1 . . . . . . . . 6609 1 16 . 1 1 8 8 ILE N N 15 121.828 0.05 . 1 . . . . . . . . 6609 1 17 . 1 1 9 9 GLU H H 1 8.413 0.02 . 1 . . . . . . . . 6609 1 18 . 1 1 9 9 GLU CA C 13 56.762 0.05 . 1 . . . . . . . . 6609 1 19 . 1 1 9 9 GLU CB C 13 30.133 0.05 . 1 . . . . . . . . 6609 1 20 . 1 1 9 9 GLU N N 15 126.364 0.05 . 1 . . . . . . . . 6609 1 21 . 1 1 10 10 THR H H 1 8.146 0.02 . 1 . . . . . . . . 6609 1 22 . 1 1 10 10 THR CA C 13 61.833 0.05 . 1 . . . . . . . . 6609 1 23 . 1 1 10 10 THR CB C 13 69.691 0.05 . 1 . . . . . . . . 6609 1 24 . 1 1 10 10 THR N N 15 117.664 0.05 . 1 . . . . . . . . 6609 1 25 . 1 1 11 11 LEU H H 1 8.146 0.02 . 1 . . . . . . . . 6609 1 26 . 1 1 11 11 LEU CA C 13 56.732 0.05 . 1 . . . . . . . . 6609 1 27 . 1 1 11 11 LEU CG C 13 30.122 0.05 . 1 . . . . . . . . 6609 1 28 . 1 1 11 11 LEU N N 15 117.660 0.05 . 1 . . . . . . . . 6609 1 29 . 1 1 18 18 PRO CA C 13 63.499 0.05 . 1 . . . . . . . . 6609 1 30 . 1 1 18 18 PRO CB C 13 31.938 0.05 . 1 . . . . . . . . 6609 1 31 . 1 1 19 19 ASN H H 1 8.504 0.02 . 1 . . . . . . . . 6609 1 32 . 1 1 19 19 ASN CA C 13 53.240 0.05 . 1 . . . . . . . . 6609 1 33 . 1 1 19 19 ASN CB C 13 38.281 0.05 . 1 . . . . . . . . 6609 1 34 . 1 1 19 19 ASN N N 15 119.325 0.05 . 1 . . . . . . . . 6609 1 35 . 1 1 20 20 SER H H 1 7.932 0.02 . 1 . . . . . . . . 6609 1 36 . 1 1 20 20 SER HA H 1 4.462 0.02 . 1 . . . . . . . . 6609 1 37 . 1 1 20 20 SER CA C 13 58.236 0.05 . 1 . . . . . . . . 6609 1 38 . 1 1 20 20 SER CB C 13 64.108 0.05 . 1 . . . . . . . . 6609 1 39 . 1 1 20 20 SER N N 15 116.510 0.05 . 1 . . . . . . . . 6609 1 40 . 1 1 21 21 GLY H H 1 8.458 0.02 . 1 . . . . . . . . 6609 1 41 . 1 1 21 21 GLY HA2 H 1 3.777 0.02 . 2 . . . . . . . . 6609 1 42 . 1 1 21 21 GLY HA3 H 1 3.939 0.02 . 2 . . . . . . . . 6609 1 43 . 1 1 21 21 GLY CA C 13 45.530 0.05 . 1 . . . . . . . . 6609 1 44 . 1 1 21 21 GLY N N 15 112.002 0.05 . 1 . . . . . . . . 6609 1 45 . 1 1 22 22 TYR H H 1 8.182 0.02 . 1 . . . . . . . . 6609 1 46 . 1 1 22 22 TYR HA H 1 4.968 0.02 . 1 . . . . . . . . 6609 1 47 . 1 1 22 22 TYR HB2 H 1 3.017 0.02 . 2 . . . . . . . . 6609 1 48 . 1 1 22 22 TYR CA C 13 55.192 0.05 . 1 . . . . . . . . 6609 1 49 . 1 1 22 22 TYR CB C 13 40.214 0.05 . 1 . . . . . . . . 6609 1 50 . 1 1 22 22 TYR N N 15 119.366 0.05 . 1 . . . . . . . . 6609 1 51 . 1 1 23 23 GLU H H 1 8.822 0.02 . 1 . . . . . . . . 6609 1 52 . 1 1 23 23 GLU HA H 1 4.635 0.02 . 1 . . . . . . . . 6609 1 53 . 1 1 23 23 GLU HB2 H 1 1.970 0.02 . 2 . . . . . . . . 6609 1 54 . 1 1 23 23 GLU HG2 H 1 2.244 0.02 . 2 . . . . . . . . 6609 1 55 . 1 1 23 23 GLU CA C 13 56.911 0.05 . 1 . . . . . . . . 6609 1 56 . 1 1 23 23 GLU CB C 13 31.339 0.05 . 1 . . . . . . . . 6609 1 57 . 1 1 23 23 GLU N N 15 123.058 0.05 . 1 . . . . . . . . 6609 1 58 . 1 1 24 24 CYS H H 1 8.926 0.02 . 1 . . . . . . . . 6609 1 59 . 1 1 24 24 CYS HA H 1 4.775 0.02 . 1 . . . . . . . . 6609 1 60 . 1 1 24 24 CYS HB2 H 1 2.701 0.02 . 2 . . . . . . . . 6609 1 61 . 1 1 24 24 CYS HB3 H 1 2.350 0.02 . 2 . . . . . . . . 6609 1 62 . 1 1 24 24 CYS CA C 13 56.999 0.05 . 1 . . . . . . . . 6609 1 63 . 1 1 24 24 CYS CB C 13 31.088 0.05 . 1 . . . . . . . . 6609 1 64 . 1 1 24 24 CYS N N 15 124.206 0.05 . 1 . . . . . . . . 6609 1 65 . 1 1 25 25 GLN H H 1 8.551 0.02 . 1 . . . . . . . . 6609 1 66 . 1 1 25 25 GLN HA H 1 4.951 0.02 . 1 . . . . . . . . 6609 1 67 . 1 1 25 25 GLN CA C 13 55.613 0.05 . 1 . . . . . . . . 6609 1 68 . 1 1 25 25 GLN CB C 13 31.476 0.05 . 1 . . . . . . . . 6609 1 69 . 1 1 25 25 GLN N N 15 122.325 0.05 . 1 . . . . . . . . 6609 1 70 . 1 1 26 26 LEU H H 1 9.090 0.02 . 1 . . . . . . . . 6609 1 71 . 1 1 26 26 LEU HA H 1 4.273 0.02 . 1 . . . . . . . . 6609 1 72 . 1 1 26 26 LEU CA C 13 53.547 0.05 . 1 . . . . . . . . 6609 1 73 . 1 1 26 26 LEU CB C 13 46.057 0.05 . 1 . . . . . . . . 6609 1 74 . 1 1 26 26 LEU N N 15 129.067 0.05 . 1 . . . . . . . . 6609 1 75 . 1 1 27 27 ARG H H 1 9.074 0.02 . 1 . . . . . . . . 6609 1 76 . 1 1 27 27 ARG HA H 1 4.695 0.02 . 1 . . . . . . . . 6609 1 77 . 1 1 27 27 ARG HB2 H 1 1.864 0.02 . 2 . . . . . . . . 6609 1 78 . 1 1 27 27 ARG CA C 13 56.314 0.05 . 1 . . . . . . . . 6609 1 79 . 1 1 27 27 ARG CB C 13 30.792 0.05 . 1 . . . . . . . . 6609 1 80 . 1 1 27 27 ARG N N 15 127.801 0.05 . 1 . . . . . . . . 6609 1 81 . 1 1 28 28 LEU H H 1 8.798 0.02 . 1 . . . . . . . . 6609 1 82 . 1 1 28 28 LEU HA H 1 5.311 0.02 . 1 . . . . . . . . 6609 1 83 . 1 1 28 28 LEU HB2 H 1 1.361 0.02 . 2 . . . . . . . . 6609 1 84 . 1 1 28 28 LEU HB3 H 1 1.016 0.02 . 2 . . . . . . . . 6609 1 85 . 1 1 28 28 LEU HG H 1 0.605 0.02 . 1 . . . . . . . . 6609 1 86 . 1 1 28 28 LEU HD11 H 1 0.269 0.02 . 2 . . . . . . . . 6609 1 87 . 1 1 28 28 LEU HD12 H 1 0.269 0.02 . 2 . . . . . . . . 6609 1 88 . 1 1 28 28 LEU HD13 H 1 0.269 0.02 . 2 . . . . . . . . 6609 1 89 . 1 1 28 28 LEU CA C 13 53.153 0.05 . 1 . . . . . . . . 6609 1 90 . 1 1 28 28 LEU CB C 13 46.688 0.05 . 1 . . . . . . . . 6609 1 91 . 1 1 28 28 LEU CG C 13 27.674 0.05 . 1 . . . . . . . . 6609 1 92 . 1 1 28 28 LEU CD1 C 13 25.104 0.05 . 2 . . . . . . . . 6609 1 93 . 1 1 28 28 LEU N N 15 123.971 0.05 . 1 . . . . . . . . 6609 1 94 . 1 1 29 29 ARG H H 1 8.496 0.02 . 1 . . . . . . . . 6609 1 95 . 1 1 29 29 ARG HA H 1 5.034 0.02 . 1 . . . . . . . . 6609 1 96 . 1 1 29 29 ARG HB2 H 1 1.539 0.02 . 2 . . . . . . . . 6609 1 97 . 1 1 29 29 ARG CA C 13 54.725 0.05 . 1 . . . . . . . . 6609 1 98 . 1 1 29 29 ARG CB C 13 32.367 0.05 . 1 . . . . . . . . 6609 1 99 . 1 1 29 29 ARG N N 15 123.985 0.05 . 1 . . . . . . . . 6609 1 100 . 1 1 30 30 LEU H H 1 9.023 0.02 . 1 . . . . . . . . 6609 1 101 . 1 1 30 30 LEU HA H 1 5.232 0.02 . 1 . . . . . . . . 6609 1 102 . 1 1 30 30 LEU HB2 H 1 1.905 0.02 . 2 . . . . . . . . 6609 1 103 . 1 1 30 30 LEU HB3 H 1 1.624 0.02 . 2 . . . . . . . . 6609 1 104 . 1 1 30 30 LEU HG H 1 0.769 0.02 . 1 . . . . . . . . 6609 1 105 . 1 1 30 30 LEU HD21 H 1 0.716 0.02 . 2 . . . . . . . . 6609 1 106 . 1 1 30 30 LEU HD22 H 1 0.716 0.02 . 2 . . . . . . . . 6609 1 107 . 1 1 30 30 LEU HD23 H 1 0.716 0.02 . 2 . . . . . . . . 6609 1 108 . 1 1 30 30 LEU CA C 13 54.359 0.05 . 1 . . . . . . . . 6609 1 109 . 1 1 30 30 LEU CB C 13 43.771 0.05 . 1 . . . . . . . . 6609 1 110 . 1 1 30 30 LEU CG C 13 25.310 0.05 . 1 . . . . . . . . 6609 1 111 . 1 1 30 30 LEU CD2 C 13 24.233 0.05 . 2 . . . . . . . . 6609 1 112 . 1 1 30 30 LEU N N 15 129.023 0.05 . 1 . . . . . . . . 6609 1 113 . 1 1 31 31 SER H H 1 9.019 0.02 . 1 . . . . . . . . 6609 1 114 . 1 1 31 31 SER HA H 1 4.208 0.02 . 1 . . . . . . . . 6609 1 115 . 1 1 31 31 SER CA C 13 61.445 0.05 . 1 . . . . . . . . 6609 1 116 . 1 1 31 31 SER CB C 13 62.579 0.05 . 1 . . . . . . . . 6609 1 117 . 1 1 31 31 SER N N 15 120.330 0.05 . 1 . . . . . . . . 6609 1 118 . 1 1 32 32 THR H H 1 6.978 0.02 . 1 . . . . . . . . 6609 1 119 . 1 1 32 32 THR HA H 1 5.622 0.02 . 1 . . . . . . . . 6609 1 120 . 1 1 32 32 THR CA C 13 61.825 0.05 . 1 . . . . . . . . 6609 1 121 . 1 1 32 32 THR CB C 13 68.473 0.05 . 1 . . . . . . . . 6609 1 122 . 1 1 32 32 THR N N 15 111.377 0.05 . 1 . . . . . . . . 6609 1 123 . 1 1 33 33 GLY H H 1 8.168 0.02 . 1 . . . . . . . . 6609 1 124 . 1 1 33 33 GLY HA2 H 1 3.613 0.02 . 2 . . . . . . . . 6609 1 125 . 1 1 33 33 GLY HA3 H 1 4.406 0.02 . 2 . . . . . . . . 6609 1 126 . 1 1 33 33 GLY CA C 13 45.571 0.05 . 1 . . . . . . . . 6609 1 127 . 1 1 33 33 GLY N N 15 111.095 0.05 . 1 . . . . . . . . 6609 1 128 . 1 1 34 34 LYS H H 1 6.864 0.02 . 1 . . . . . . . . 6609 1 129 . 1 1 34 34 LYS HA H 1 4.427 0.02 . 1 . . . . . . . . 6609 1 130 . 1 1 34 34 LYS HB2 H 1 1.598 0.02 . 2 . . . . . . . . 6609 1 131 . 1 1 34 34 LYS HB3 H 1 1.277 0.02 . 2 . . . . . . . . 6609 1 132 . 1 1 34 34 LYS HG2 H 1 1.248 0.02 . 2 . . . . . . . . 6609 1 133 . 1 1 34 34 LYS HD2 H 1 1.409 0.02 . 2 . . . . . . . . 6609 1 134 . 1 1 34 34 LYS HE2 H 1 2.872 0.02 . 2 . . . . . . . . 6609 1 135 . 1 1 34 34 LYS HE3 H 1 2.981 0.02 . 2 . . . . . . . . 6609 1 136 . 1 1 34 34 LYS CA C 13 56.350 0.05 . 1 . . . . . . . . 6609 1 137 . 1 1 34 34 LYS CB C 13 35.064 0.05 . 1 . . . . . . . . 6609 1 138 . 1 1 34 34 LYS CE C 13 42.041 0.05 . 1 . . . . . . . . 6609 1 139 . 1 1 34 34 LYS N N 15 121.803 0.05 . 1 . . . . . . . . 6609 1 140 . 1 1 35 35 ASP H H 1 8.402 0.02 . 1 . . . . . . . . 6609 1 141 . 1 1 35 35 ASP HA H 1 5.421 0.02 . 1 . . . . . . . . 6609 1 142 . 1 1 35 35 ASP HB2 H 1 2.621 0.02 . 2 . . . . . . . . 6609 1 143 . 1 1 35 35 ASP HB3 H 1 2.503 0.02 . 2 . . . . . . . . 6609 1 144 . 1 1 35 35 ASP CA C 13 53.442 0.05 . 1 . . . . . . . . 6609 1 145 . 1 1 35 35 ASP CB C 13 43.108 0.05 . 1 . . . . . . . . 6609 1 146 . 1 1 35 35 ASP N N 15 127.837 0.05 . 1 . . . . . . . . 6609 1 147 . 1 1 36 36 LEU H H 1 8.919 0.02 . 1 . . . . . . . . 6609 1 148 . 1 1 36 36 LEU HA H 1 4.725 0.02 . 1 . . . . . . . . 6609 1 149 . 1 1 36 36 LEU HB2 H 1 1.571 0.02 . 2 . . . . . . . . 6609 1 150 . 1 1 36 36 LEU HG H 1 1.438 0.02 . 1 . . . . . . . . 6609 1 151 . 1 1 36 36 LEU HD21 H 1 0.763 0.02 . 2 . . . . . . . . 6609 1 152 . 1 1 36 36 LEU HD22 H 1 0.763 0.02 . 2 . . . . . . . . 6609 1 153 . 1 1 36 36 LEU HD23 H 1 0.763 0.02 . 2 . . . . . . . . 6609 1 154 . 1 1 36 36 LEU CA C 13 54.955 0.05 . 1 . . . . . . . . 6609 1 155 . 1 1 36 36 LEU CB C 13 45.384 0.05 . 1 . . . . . . . . 6609 1 156 . 1 1 36 36 LEU CG C 13 26.688 0.05 . 1 . . . . . . . . 6609 1 157 . 1 1 36 36 LEU N N 15 122.510 0.05 . 1 . . . . . . . . 6609 1 158 . 1 1 37 37 LYS H H 1 8.378 0.02 . 1 . . . . . . . . 6609 1 159 . 1 1 37 37 LYS HA H 1 5.069 0.02 . 1 . . . . . . . . 6609 1 160 . 1 1 37 37 LYS HB2 H 1 1.577 0.02 . 2 . . . . . . . . 6609 1 161 . 1 1 37 37 LYS HB3 H 1 1.459 0.02 . 2 . . . . . . . . 6609 1 162 . 1 1 37 37 LYS HG2 H 1 1.118 0.02 . 2 . . . . . . . . 6609 1 163 . 1 1 37 37 LYS CA C 13 55.027 0.05 . 1 . . . . . . . . 6609 1 164 . 1 1 37 37 LYS CB C 13 34.069 0.05 . 1 . . . . . . . . 6609 1 165 . 1 1 37 37 LYS N N 15 123.084 0.05 . 1 . . . . . . . . 6609 1 166 . 1 1 38 38 LEU H H 1 9.192 0.02 . 1 . . . . . . . . 6609 1 167 . 1 1 38 38 LEU HA H 1 4.583 0.02 . 1 . . . . . . . . 6609 1 168 . 1 1 38 38 LEU HB2 H 1 1.823 0.02 . 2 . . . . . . . . 6609 1 169 . 1 1 38 38 LEU HB3 H 1 1.133 0.02 . 2 . . . . . . . . 6609 1 170 . 1 1 38 38 LEU HG H 1 1.519 0.02 . 1 . . . . . . . . 6609 1 171 . 1 1 38 38 LEU HD21 H 1 0.858 0.02 . 2 . . . . . . . . 6609 1 172 . 1 1 38 38 LEU HD22 H 1 0.858 0.02 . 2 . . . . . . . . 6609 1 173 . 1 1 38 38 LEU HD23 H 1 0.858 0.02 . 2 . . . . . . . . 6609 1 174 . 1 1 38 38 LEU CA C 13 53.200 0.05 . 1 . . . . . . . . 6609 1 175 . 1 1 38 38 LEU CB C 13 46.995 0.05 . 1 . . . . . . . . 6609 1 176 . 1 1 38 38 LEU CD2 C 13 27.140 0.05 . 2 . . . . . . . . 6609 1 177 . 1 1 38 38 LEU N N 15 129.456 0.05 . 1 . . . . . . . . 6609 1 178 . 1 1 39 39 VAL H H 1 8.454 0.02 . 1 . . . . . . . . 6609 1 179 . 1 1 39 39 VAL HA H 1 4.434 0.02 . 1 . . . . . . . . 6609 1 180 . 1 1 39 39 VAL HB H 1 1.927 0.02 . 1 . . . . . . . . 6609 1 181 . 1 1 39 39 VAL HG11 H 1 0.862 0.02 . 2 . . . . . . . . 6609 1 182 . 1 1 39 39 VAL HG12 H 1 0.862 0.02 . 2 . . . . . . . . 6609 1 183 . 1 1 39 39 VAL HG13 H 1 0.862 0.02 . 2 . . . . . . . . 6609 1 184 . 1 1 39 39 VAL CA C 13 63.500 0.05 . 1 . . . . . . . . 6609 1 185 . 1 1 39 39 VAL CB C 13 30.968 0.05 . 1 . . . . . . . . 6609 1 186 . 1 1 39 39 VAL N N 15 129.546 0.05 . 1 . . . . . . . . 6609 1 187 . 1 1 40 40 VAL H H 1 8.646 0.02 . 1 . . . . . . . . 6609 1 188 . 1 1 40 40 VAL HA H 1 4.494 0.02 . 1 . . . . . . . . 6609 1 189 . 1 1 40 40 VAL HB H 1 2.496 0.02 . 1 . . . . . . . . 6609 1 190 . 1 1 40 40 VAL HG11 H 1 0.229 0.02 . 2 . . . . . . . . 6609 1 191 . 1 1 40 40 VAL HG12 H 1 0.229 0.02 . 2 . . . . . . . . 6609 1 192 . 1 1 40 40 VAL HG13 H 1 0.229 0.02 . 2 . . . . . . . . 6609 1 193 . 1 1 40 40 VAL HG21 H 1 0.840 0.02 . 2 . . . . . . . . 6609 1 194 . 1 1 40 40 VAL HG22 H 1 0.840 0.02 . 2 . . . . . . . . 6609 1 195 . 1 1 40 40 VAL HG23 H 1 0.840 0.02 . 2 . . . . . . . . 6609 1 196 . 1 1 40 40 VAL CA C 13 58.348 0.05 . 1 . . . . . . . . 6609 1 197 . 1 1 40 40 VAL CB C 13 33.989 0.05 . 1 . . . . . . . . 6609 1 198 . 1 1 40 40 VAL CG1 C 13 18.114 0.05 . 2 . . . . . . . . 6609 1 199 . 1 1 40 40 VAL CG2 C 13 22.021 0.05 . 2 . . . . . . . . 6609 1 200 . 1 1 40 40 VAL N N 15 123.244 0.05 . 1 . . . . . . . . 6609 1 201 . 1 1 41 41 ARG H H 1 8.063 0.02 . 1 . . . . . . . . 6609 1 202 . 1 1 41 41 ARG HA H 1 4.949 0.02 . 1 . . . . . . . . 6609 1 203 . 1 1 41 41 ARG HB2 H 1 1.580 0.02 . 2 . . . . . . . . 6609 1 204 . 1 1 41 41 ARG HB3 H 1 1.614 0.02 . 2 . . . . . . . . 6609 1 205 . 1 1 41 41 ARG HD2 H 1 2.651 0.02 . 2 . . . . . . . . 6609 1 206 . 1 1 41 41 ARG HD3 H 1 2.791 0.02 . 2 . . . . . . . . 6609 1 207 . 1 1 41 41 ARG CA C 13 53.410 0.05 . 1 . . . . . . . . 6609 1 208 . 1 1 41 41 ARG CB C 13 32.055 0.05 . 1 . . . . . . . . 6609 1 209 . 1 1 41 41 ARG N N 15 119.380 0.05 . 1 . . . . . . . . 6609 1 210 . 1 1 42 42 SER H H 1 8.765 0.02 . 1 . . . . . . . . 6609 1 211 . 1 1 42 42 SER HA H 1 3.608 0.02 . 1 . . . . . . . . 6609 1 212 . 1 1 42 42 SER N N 15 118.251 0.05 . 1 . . . . . . . . 6609 1 213 . 1 1 43 43 THR H H 1 6.751 0.02 . 1 . . . . . . . . 6609 1 214 . 1 1 43 43 THR HA H 1 4.181 0.02 . 1 . . . . . . . . 6609 1 215 . 1 1 43 43 THR CA C 13 60.644 0.05 . 1 . . . . . . . . 6609 1 216 . 1 1 43 43 THR CB C 13 69.095 0.05 . 1 . . . . . . . . 6609 1 217 . 1 1 43 43 THR N N 15 108.747 0.05 . 1 . . . . . . . . 6609 1 218 . 1 1 44 44 ASP H H 1 7.959 0.02 . 1 . . . . . . . . 6609 1 219 . 1 1 44 44 ASP HA H 1 4.473 0.02 . 1 . . . . . . . . 6609 1 220 . 1 1 44 44 ASP HB2 H 1 2.989 0.02 . 2 . . . . . . . . 6609 1 221 . 1 1 44 44 ASP CA C 13 55.947 0.05 . 1 . . . . . . . . 6609 1 222 . 1 1 44 44 ASP CB C 13 41.404 0.05 . 1 . . . . . . . . 6609 1 223 . 1 1 44 44 ASP N N 15 125.627 0.05 . 1 . . . . . . . . 6609 1 224 . 1 1 45 45 THR H H 1 8.148 0.02 . 1 . . . . . . . . 6609 1 225 . 1 1 45 45 THR HA H 1 5.389 0.02 . 1 . . . . . . . . 6609 1 226 . 1 1 45 45 THR HB H 1 4.843 0.02 . 1 . . . . . . . . 6609 1 227 . 1 1 45 45 THR HG21 H 1 1.372 0.02 . 1 . . . . . . . . 6609 1 228 . 1 1 45 45 THR HG22 H 1 1.372 0.02 . 1 . . . . . . . . 6609 1 229 . 1 1 45 45 THR HG23 H 1 1.372 0.02 . 1 . . . . . . . . 6609 1 230 . 1 1 45 45 THR CA C 13 60.328 0.05 . 1 . . . . . . . . 6609 1 231 . 1 1 45 45 THR CB C 13 63.063 0.05 . 1 . . . . . . . . 6609 1 232 . 1 1 45 45 THR CG2 C 13 22.391 0.05 . 1 . . . . . . . . 6609 1 233 . 1 1 45 45 THR N N 15 112.473 0.05 . 1 . . . . . . . . 6609 1 234 . 1 1 46 46 VAL H H 1 8.823 0.02 . 1 . . . . . . . . 6609 1 235 . 1 1 46 46 VAL HA H 1 3.259 0.02 . 1 . . . . . . . . 6609 1 236 . 1 1 46 46 VAL HB H 1 2.332 0.02 . 1 . . . . . . . . 6609 1 237 . 1 1 46 46 VAL HG11 H 1 0.152 0.02 . 2 . . . . . . . . 6609 1 238 . 1 1 46 46 VAL HG12 H 1 0.152 0.02 . 2 . . . . . . . . 6609 1 239 . 1 1 46 46 VAL HG13 H 1 0.152 0.02 . 2 . . . . . . . . 6609 1 240 . 1 1 46 46 VAL HG21 H 1 0.801 0.02 . 2 . . . . . . . . 6609 1 241 . 1 1 46 46 VAL HG22 H 1 0.801 0.02 . 2 . . . . . . . . 6609 1 242 . 1 1 46 46 VAL HG23 H 1 0.801 0.02 . 2 . . . . . . . . 6609 1 243 . 1 1 46 46 VAL CA C 13 67.016 0.05 . 1 . . . . . . . . 6609 1 244 . 1 1 46 46 VAL CB C 13 30.838 0.05 . 1 . . . . . . . . 6609 1 245 . 1 1 46 46 VAL CG1 C 13 19.933 0.05 . 2 . . . . . . . . 6609 1 246 . 1 1 46 46 VAL CG2 C 13 24.302 0.05 . 2 . . . . . . . . 6609 1 247 . 1 1 46 46 VAL N N 15 126.356 0.05 . 1 . . . . . . . . 6609 1 248 . 1 1 47 47 PHE H H 1 8.727 0.02 . 1 . . . . . . . . 6609 1 249 . 1 1 47 47 PHE HA H 1 3.712 0.02 . 1 . . . . . . . . 6609 1 250 . 1 1 47 47 PHE HB2 H 1 2.955 0.02 . 2 . . . . . . . . 6609 1 251 . 1 1 47 47 PHE HB3 H 1 2.810 0.02 . 2 . . . . . . . . 6609 1 252 . 1 1 47 47 PHE CA C 13 62.507 0.05 . 1 . . . . . . . . 6609 1 253 . 1 1 47 47 PHE CB C 13 39.423 0.05 . 1 . . . . . . . . 6609 1 254 . 1 1 47 47 PHE N N 15 121.974 0.05 . 1 . . . . . . . . 6609 1 255 . 1 1 48 48 HIS H H 1 7.715 0.02 . 1 . . . . . . . . 6609 1 256 . 1 1 48 48 HIS HA H 1 4.079 0.02 . 1 . . . . . . . . 6609 1 257 . 1 1 48 48 HIS HB2 H 1 3.367 0.02 . 2 . . . . . . . . 6609 1 258 . 1 1 48 48 HIS HB3 H 1 3.258 0.02 . 2 . . . . . . . . 6609 1 259 . 1 1 48 48 HIS CA C 13 60.207 0.05 . 1 . . . . . . . . 6609 1 260 . 1 1 48 48 HIS CB C 13 31.250 0.05 . 1 . . . . . . . . 6609 1 261 . 1 1 48 48 HIS N N 15 119.803 0.05 . 1 . . . . . . . . 6609 1 262 . 1 1 49 49 MET H H 1 8.497 0.02 . 1 . . . . . . . . 6609 1 263 . 1 1 49 49 MET HA H 1 4.258 0.02 . 1 . . . . . . . . 6609 1 264 . 1 1 49 49 MET HB2 H 1 2.832 0.02 . 2 . . . . . . . . 6609 1 265 . 1 1 49 49 MET HB3 H 1 1.904 0.02 . 2 . . . . . . . . 6609 1 266 . 1 1 49 49 MET CA C 13 55.674 0.05 . 1 . . . . . . . . 6609 1 267 . 1 1 49 49 MET CB C 13 33.647 0.05 . 1 . . . . . . . . 6609 1 268 . 1 1 49 49 MET N N 15 122.746 0.05 . 1 . . . . . . . . 6609 1 269 . 1 1 50 50 LYS H H 1 8.441 0.02 . 1 . . . . . . . . 6609 1 270 . 1 1 50 50 LYS HA H 1 4.556 0.02 . 1 . . . . . . . . 6609 1 271 . 1 1 50 50 LYS CA C 13 59.519 0.05 . 1 . . . . . . . . 6609 1 272 . 1 1 50 50 LYS CB C 13 33.867 0.05 . 1 . . . . . . . . 6609 1 273 . 1 1 50 50 LYS N N 15 121.296 0.05 . 1 . . . . . . . . 6609 1 274 . 1 1 51 51 ARG H H 1 7.433 0.02 . 1 . . . . . . . . 6609 1 275 . 1 1 51 51 ARG HA H 1 4.028 0.02 . 1 . . . . . . . . 6609 1 276 . 1 1 51 51 ARG CA C 13 60.126 0.05 . 1 . . . . . . . . 6609 1 277 . 1 1 51 51 ARG CB C 13 29.162 0.05 . 1 . . . . . . . . 6609 1 278 . 1 1 51 51 ARG N N 15 122.739 0.05 . 1 . . . . . . . . 6609 1 279 . 1 1 52 52 ARG H H 1 8.221 0.02 . 1 . . . . . . . . 6609 1 280 . 1 1 52 52 ARG HA H 1 4.221 0.02 . 1 . . . . . . . . 6609 1 281 . 1 1 52 52 ARG CA C 13 60.012 0.05 . 1 . . . . . . . . 6609 1 282 . 1 1 52 52 ARG CB C 13 29.065 0.05 . 1 . . . . . . . . 6609 1 283 . 1 1 52 52 ARG N N 15 123.935 0.05 . 1 . . . . . . . . 6609 1 284 . 1 1 53 53 LEU H H 1 8.662 0.02 . 1 . . . . . . . . 6609 1 285 . 1 1 53 53 LEU HA H 1 4.266 0.02 . 1 . . . . . . . . 6609 1 286 . 1 1 53 53 LEU HB2 H 1 2.462 0.02 . 2 . . . . . . . . 6609 1 287 . 1 1 53 53 LEU HB3 H 1 1.674 0.02 . 1 . . . . . . . . 6609 1 288 . 1 1 53 53 LEU HG H 1 0.966 0.02 . 1 . . . . . . . . 6609 1 289 . 1 1 53 53 LEU HD11 H 1 0.905 0.02 . 2 . . . . . . . . 6609 1 290 . 1 1 53 53 LEU HD12 H 1 0.905 0.02 . 2 . . . . . . . . 6609 1 291 . 1 1 53 53 LEU HD13 H 1 0.905 0.02 . 2 . . . . . . . . 6609 1 292 . 1 1 53 53 LEU CA C 13 57.948 0.05 . 1 . . . . . . . . 6609 1 293 . 1 1 53 53 LEU CB C 13 40.637 0.05 . 1 . . . . . . . . 6609 1 294 . 1 1 53 53 LEU CG C 13 25.643 0.05 . 1 . . . . . . . . 6609 1 295 . 1 1 53 53 LEU N N 15 124.562 0.05 . 1 . . . . . . . . 6609 1 296 . 1 1 54 54 HIS H H 1 8.384 0.02 . 1 . . . . . . . . 6609 1 297 . 1 1 54 54 HIS HA H 1 3.794 0.02 . 1 . . . . . . . . 6609 1 298 . 1 1 54 54 HIS HB2 H 1 1.841 0.02 . 2 . . . . . . . . 6609 1 299 . 1 1 54 54 HIS HB3 H 1 1.854 0.02 . 2 . . . . . . . . 6609 1 300 . 1 1 54 54 HIS N N 15 124.437 0.05 . 1 . . . . . . . . 6609 1 301 . 1 1 55 55 ALA CA C 13 54.650 0.05 . 1 . . . . . . . . 6609 1 302 . 1 1 55 55 ALA CB C 13 18.187 0.05 . 1 . . . . . . . . 6609 1 303 . 1 1 56 56 ALA H H 1 7.605 0.02 . 1 . . . . . . . . 6609 1 304 . 1 1 56 56 ALA HA H 1 4.303 0.02 . 1 . . . . . . . . 6609 1 305 . 1 1 56 56 ALA HB1 H 1 1.544 0.02 . 1 . . . . . . . . 6609 1 306 . 1 1 56 56 ALA HB2 H 1 1.544 0.02 . 1 . . . . . . . . 6609 1 307 . 1 1 56 56 ALA HB3 H 1 1.544 0.02 . 1 . . . . . . . . 6609 1 308 . 1 1 56 56 ALA CA C 13 54.650 0.05 . 1 . . . . . . . . 6609 1 309 . 1 1 56 56 ALA CB C 13 19.963 0.05 . 1 . . . . . . . . 6609 1 310 . 1 1 56 56 ALA N N 15 119.495 0.05 . 1 . . . . . . . . 6609 1 311 . 1 1 57 57 GLU H H 1 8.403 0.02 . 1 . . . . . . . . 6609 1 312 . 1 1 57 57 GLU HA H 1 4.606 0.02 . 1 . . . . . . . . 6609 1 313 . 1 1 57 57 GLU HB2 H 1 1.560 0.02 . 2 . . . . . . . . 6609 1 314 . 1 1 57 57 GLU HB3 H 1 1.577 0.02 . 2 . . . . . . . . 6609 1 315 . 1 1 57 57 GLU HG2 H 1 2.273 0.02 . 2 . . . . . . . . 6609 1 316 . 1 1 57 57 GLU HG3 H 1 2.263 0.02 . 2 . . . . . . . . 6609 1 317 . 1 1 57 57 GLU CA C 13 55.087 0.05 . 1 . . . . . . . . 6609 1 318 . 1 1 57 57 GLU CB C 13 32.624 0.05 . 1 . . . . . . . . 6609 1 319 . 1 1 57 57 GLU N N 15 114.771 0.05 . 1 . . . . . . . . 6609 1 320 . 1 1 58 58 GLY H H 1 8.253 0.02 . 1 . . . . . . . . 6609 1 321 . 1 1 58 58 GLY HA2 H 1 3.723 0.02 . 2 . . . . . . . . 6609 1 322 . 1 1 58 58 GLY HA3 H 1 4.182 0.02 . 2 . . . . . . . . 6609 1 323 . 1 1 58 58 GLY CA C 13 46.215 0.05 . 1 . . . . . . . . 6609 1 324 . 1 1 58 58 GLY N N 15 110.625 0.05 . 1 . . . . . . . . 6609 1 325 . 1 1 59 59 VAL H H 1 6.387 0.02 . 1 . . . . . . . . 6609 1 326 . 1 1 59 59 VAL HA H 1 4.234 0.02 . 1 . . . . . . . . 6609 1 327 . 1 1 59 59 VAL HB H 1 1.136 0.02 . 1 . . . . . . . . 6609 1 328 . 1 1 59 59 VAL HG21 H 1 0.925 0.02 . 2 . . . . . . . . 6609 1 329 . 1 1 59 59 VAL HG22 H 1 0.925 0.02 . 2 . . . . . . . . 6609 1 330 . 1 1 59 59 VAL HG23 H 1 0.925 0.02 . 2 . . . . . . . . 6609 1 331 . 1 1 59 59 VAL CA C 13 60.493 0.05 . 1 . . . . . . . . 6609 1 332 . 1 1 59 59 VAL CB C 13 32.531 0.05 . 1 . . . . . . . . 6609 1 333 . 1 1 59 59 VAL N N 15 119.190 0.05 . 1 . . . . . . . . 6609 1 334 . 1 1 60 60 GLU H H 1 9.083 0.02 . 1 . . . . . . . . 6609 1 335 . 1 1 60 60 GLU HA H 1 3.556 0.02 . 1 . . . . . . . . 6609 1 336 . 1 1 60 60 GLU CA C 13 55.814 0.05 . 1 . . . . . . . . 6609 1 337 . 1 1 60 60 GLU CB C 13 28.300 0.05 . 1 . . . . . . . . 6609 1 338 . 1 1 60 60 GLU N N 15 132.162 0.05 . 1 . . . . . . . . 6609 1 339 . 1 1 61 61 PRO CA C 13 66.605 0.05 . 1 . . . . . . . . 6609 1 340 . 1 1 61 61 PRO CB C 13 32.088 0.05 . 1 . . . . . . . . 6609 1 341 . 1 1 62 62 GLY H H 1 8.929 0.02 . 1 . . . . . . . . 6609 1 342 . 1 1 62 62 GLY CA C 13 46.310 0.05 . 1 . . . . . . . . 6609 1 343 . 1 1 62 62 GLY N N 15 106.140 0.05 . 1 . . . . . . . . 6609 1 344 . 1 1 63 63 SER H H 1 7.780 0.02 . 1 . . . . . . . . 6609 1 345 . 1 1 63 63 SER HA H 1 4.713 0.02 . 1 . . . . . . . . 6609 1 346 . 1 1 63 63 SER HB2 H 1 4.206 0.02 . 2 . . . . . . . . 6609 1 347 . 1 1 63 63 SER HB3 H 1 3.941 0.02 . 2 . . . . . . . . 6609 1 348 . 1 1 63 63 SER CA C 13 58.149 0.05 . 1 . . . . . . . . 6609 1 349 . 1 1 63 63 SER CB C 13 64.425 0.05 . 1 . . . . . . . . 6609 1 350 . 1 1 63 63 SER N N 15 117.533 0.05 . 1 . . . . . . . . 6609 1 351 . 1 1 64 64 GLN H H 1 7.417 0.02 . 1 . . . . . . . . 6609 1 352 . 1 1 64 64 GLN HA H 1 4.873 0.02 . 1 . . . . . . . . 6609 1 353 . 1 1 64 64 GLN HB2 H 1 2.113 0.02 . 2 . . . . . . . . 6609 1 354 . 1 1 64 64 GLN HB3 H 1 1.753 0.02 . 2 . . . . . . . . 6609 1 355 . 1 1 64 64 GLN HG2 H 1 2.256 0.02 . 2 . . . . . . . . 6609 1 356 . 1 1 64 64 GLN HG3 H 1 2.540 0.02 . 2 . . . . . . . . 6609 1 357 . 1 1 64 64 GLN CA C 13 55.077 0.05 . 1 . . . . . . . . 6609 1 358 . 1 1 64 64 GLN CB C 13 33.074 0.05 . 1 . . . . . . . . 6609 1 359 . 1 1 64 64 GLN N N 15 119.391 0.05 . 1 . . . . . . . . 6609 1 360 . 1 1 65 65 ARG H H 1 8.801 0.02 . 1 . . . . . . . . 6609 1 361 . 1 1 65 65 ARG HA H 1 5.315 0.02 . 1 . . . . . . . . 6609 1 362 . 1 1 65 65 ARG HB2 H 1 1.987 0.02 . 2 . . . . . . . . 6609 1 363 . 1 1 65 65 ARG HG2 H 1 0.953 0.02 . 2 . . . . . . . . 6609 1 364 . 1 1 65 65 ARG CA C 13 55.888 0.05 . 1 . . . . . . . . 6609 1 365 . 1 1 65 65 ARG CB C 13 32.931 0.05 . 1 . . . . . . . . 6609 1 366 . 1 1 65 65 ARG N N 15 123.968 0.05 . 1 . . . . . . . . 6609 1 367 . 1 1 66 66 TRP H H 1 9.076 0.02 . 1 . . . . . . . . 6609 1 368 . 1 1 66 66 TRP HA H 1 5.487 0.02 . 1 . . . . . . . . 6609 1 369 . 1 1 66 66 TRP HB2 H 1 3.157 0.02 . 2 . . . . . . . . 6609 1 370 . 1 1 66 66 TRP HB3 H 1 3.049 0.02 . 2 . . . . . . . . 6609 1 371 . 1 1 66 66 TRP CA C 13 57.525 0.05 . 1 . . . . . . . . 6609 1 372 . 1 1 66 66 TRP CB C 13 31.267 0.05 . 1 . . . . . . . . 6609 1 373 . 1 1 66 66 TRP N N 15 129.533 0.05 . 1 . . . . . . . . 6609 1 374 . 1 1 67 67 PHE H H 1 9.446 0.02 . 1 . . . . . . . . 6609 1 375 . 1 1 67 67 PHE HA H 1 5.368 0.02 . 1 . . . . . . . . 6609 1 376 . 1 1 67 67 PHE HB2 H 1 2.959 0.02 . 2 . . . . . . . . 6609 1 377 . 1 1 67 67 PHE HB3 H 1 2.809 0.02 . 2 . . . . . . . . 6609 1 378 . 1 1 67 67 PHE CA C 13 57.446 0.05 . 1 . . . . . . . . 6609 1 379 . 1 1 67 67 PHE CB C 13 44.613 0.05 . 1 . . . . . . . . 6609 1 380 . 1 1 67 67 PHE N N 15 122.457 0.05 . 1 . . . . . . . . 6609 1 381 . 1 1 68 68 PHE H H 1 9.049 0.02 . 1 . . . . . . . . 6609 1 382 . 1 1 68 68 PHE HA H 1 5.293 0.02 . 1 . . . . . . . . 6609 1 383 . 1 1 68 68 PHE HB2 H 1 3.255 0.02 . 2 . . . . . . . . 6609 1 384 . 1 1 68 68 PHE HB3 H 1 2.981 0.02 . 2 . . . . . . . . 6609 1 385 . 1 1 68 68 PHE CA C 13 56.791 0.05 . 1 . . . . . . . . 6609 1 386 . 1 1 68 68 PHE CB C 13 42.804 0.05 . 1 . . . . . . . . 6609 1 387 . 1 1 68 68 PHE N N 15 121.204 0.05 . 1 . . . . . . . . 6609 1 388 . 1 1 69 69 SER H H 1 8.938 0.02 . 1 . . . . . . . . 6609 1 389 . 1 1 69 69 SER HA H 1 3.791 0.02 . 1 . . . . . . . . 6609 1 390 . 1 1 69 69 SER HB2 H 1 2.980 0.02 . 1 . . . . . . . . 6609 1 391 . 1 1 69 69 SER CA C 13 58.131 0.05 . 1 . . . . . . . . 6609 1 392 . 1 1 69 69 SER CB C 13 62.267 0.05 . 1 . . . . . . . . 6609 1 393 . 1 1 69 69 SER N N 15 128.050 0.05 . 1 . . . . . . . . 6609 1 394 . 1 1 70 70 GLY H H 1 8.883 0.02 . 1 . . . . . . . . 6609 1 395 . 1 1 70 70 GLY HA2 H 1 3.618 0.02 . 2 . . . . . . . . 6609 1 396 . 1 1 70 70 GLY HA3 H 1 4.203 0.02 . 2 . . . . . . . . 6609 1 397 . 1 1 70 70 GLY CA C 13 45.223 0.05 . 1 . . . . . . . . 6609 1 398 . 1 1 70 70 GLY N N 15 106.553 0.05 . 1 . . . . . . . . 6609 1 399 . 1 1 71 71 ARG H H 1 8.054 0.02 . 1 . . . . . . . . 6609 1 400 . 1 1 71 71 ARG HA H 1 5.055 0.02 . 1 . . . . . . . . 6609 1 401 . 1 1 71 71 ARG HB2 H 1 2.001 0.02 . 2 . . . . . . . . 6609 1 402 . 1 1 71 71 ARG HB3 H 1 1.988 0.02 . 2 . . . . . . . . 6609 1 403 . 1 1 71 71 ARG HG2 H 1 1.730 0.02 . 2 . . . . . . . . 6609 1 404 . 1 1 71 71 ARG HD2 H 1 3.265 0.02 . 2 . . . . . . . . 6609 1 405 . 1 1 71 71 ARG CA C 13 53.118 0.05 . 1 . . . . . . . . 6609 1 406 . 1 1 71 71 ARG CB C 13 31.476 0.05 . 1 . . . . . . . . 6609 1 407 . 1 1 71 71 ARG N N 15 124.342 0.05 . 1 . . . . . . . . 6609 1 408 . 1 1 73 73 LEU H H 1 8.199 0.02 . 1 . . . . . . . . 6609 1 409 . 1 1 73 73 LEU HA H 1 4.223 0.02 . 1 . . . . . . . . 6609 1 410 . 1 1 73 73 LEU N N 15 124.735 0.05 . 1 . . . . . . . . 6609 1 411 . 1 1 74 74 THR H H 1 8.249 0.02 . 1 . . . . . . . . 6609 1 412 . 1 1 74 74 THR HA H 1 4.049 0.02 . 1 . . . . . . . . 6609 1 413 . 1 1 74 74 THR CA C 13 60.535 0.05 . 1 . . . . . . . . 6609 1 414 . 1 1 74 74 THR CB C 13 70.203 0.05 . 1 . . . . . . . . 6609 1 415 . 1 1 74 74 THR N N 15 122.746 0.05 . 1 . . . . . . . . 6609 1 416 . 1 1 75 75 ASP H H 1 8.142 0.02 . 1 . . . . . . . . 6609 1 417 . 1 1 75 75 ASP HA H 1 4.282 0.02 . 1 . . . . . . . . 6609 1 418 . 1 1 75 75 ASP CA C 13 57.987 0.05 . 1 . . . . . . . . 6609 1 419 . 1 1 75 75 ASP CB C 13 41.780 0.05 . 1 . . . . . . . . 6609 1 420 . 1 1 75 75 ASP N N 15 119.868 0.05 . 1 . . . . . . . . 6609 1 421 . 1 1 76 76 LYS H H 1 7.928 0.02 . 1 . . . . . . . . 6609 1 422 . 1 1 76 76 LYS HA H 1 4.340 0.02 . 1 . . . . . . . . 6609 1 423 . 1 1 76 76 LYS HB2 H 1 1.937 0.02 . 2 . . . . . . . . 6609 1 424 . 1 1 76 76 LYS HB3 H 1 1.788 0.02 . 2 . . . . . . . . 6609 1 425 . 1 1 76 76 LYS HG2 H 1 1.381 0.02 . 2 . . . . . . . . 6609 1 426 . 1 1 76 76 LYS HG3 H 1 1.528 0.02 . 2 . . . . . . . . 6609 1 427 . 1 1 76 76 LYS CA C 13 56.384 0.05 . 1 . . . . . . . . 6609 1 428 . 1 1 76 76 LYS CB C 13 32.418 0.05 . 1 . . . . . . . . 6609 1 429 . 1 1 76 76 LYS N N 15 115.674 0.05 . 1 . . . . . . . . 6609 1 430 . 1 1 77 77 MET H H 1 7.649 0.02 . 1 . . . . . . . . 6609 1 431 . 1 1 77 77 MET HA H 1 4.173 0.02 . 1 . . . . . . . . 6609 1 432 . 1 1 77 77 MET HB2 H 1 2.062 0.02 . 2 . . . . . . . . 6609 1 433 . 1 1 77 77 MET HB3 H 1 1.841 0.02 . 2 . . . . . . . . 6609 1 434 . 1 1 77 77 MET HG2 H 1 1.393 0.02 . 2 . . . . . . . . 6609 1 435 . 1 1 77 77 MET CA C 13 56.427 0.05 . 1 . . . . . . . . 6609 1 436 . 1 1 77 77 MET CB C 13 32.783 0.05 . 1 . . . . . . . . 6609 1 437 . 1 1 77 77 MET N N 15 122.000 0.05 . 1 . . . . . . . . 6609 1 438 . 1 1 78 78 LYS H H 1 8.731 0.02 . 1 . . . . . . . . 6609 1 439 . 1 1 78 78 LYS HA H 1 4.707 0.02 . 1 . . . . . . . . 6609 1 440 . 1 1 78 78 LYS HB2 H 1 1.612 0.02 . 2 . . . . . . . . 6609 1 441 . 1 1 78 78 LYS CA C 13 55.540 0.05 . 1 . . . . . . . . 6609 1 442 . 1 1 78 78 LYS CB C 13 34.453 0.05 . 1 . . . . . . . . 6609 1 443 . 1 1 78 78 LYS N N 15 123.015 0.05 . 1 . . . . . . . . 6609 1 444 . 1 1 79 79 PHE H H 1 8.943 0.02 . 1 . . . . . . . . 6609 1 445 . 1 1 79 79 PHE HA H 1 3.809 0.02 . 1 . . . . . . . . 6609 1 446 . 1 1 79 79 PHE CA C 13 63.123 0.05 . 1 . . . . . . . . 6609 1 447 . 1 1 79 79 PHE CB C 13 38.707 0.05 . 1 . . . . . . . . 6609 1 448 . 1 1 79 79 PHE N N 15 125.165 0.05 . 1 . . . . . . . . 6609 1 449 . 1 1 80 80 GLU H H 1 8.922 0.02 . 1 . . . . . . . . 6609 1 450 . 1 1 80 80 GLU HA H 1 4.016 0.02 . 1 . . . . . . . . 6609 1 451 . 1 1 80 80 GLU CA C 13 58.710 0.05 . 1 . . . . . . . . 6609 1 452 . 1 1 80 80 GLU CB C 13 29.443 0.05 . 1 . . . . . . . . 6609 1 453 . 1 1 80 80 GLU N N 15 117.664 0.05 . 1 . . . . . . . . 6609 1 454 . 1 1 81 81 GLU H H 1 7.399 0.02 . 1 . . . . . . . . 6609 1 455 . 1 1 81 81 GLU HA H 1 4.221 0.02 . 1 . . . . . . . . 6609 1 456 . 1 1 81 81 GLU HB2 H 1 2.315 0.02 . 2 . . . . . . . . 6609 1 457 . 1 1 81 81 GLU HB3 H 1 2.129 0.02 . 2 . . . . . . . . 6609 1 458 . 1 1 81 81 GLU HG2 H 1 2.474 0.02 . 2 . . . . . . . . 6609 1 459 . 1 1 81 81 GLU CA C 13 56.781 0.05 . 1 . . . . . . . . 6609 1 460 . 1 1 81 81 GLU CB C 13 29.996 0.05 . 1 . . . . . . . . 6609 1 461 . 1 1 81 81 GLU N N 15 118.393 0.05 . 1 . . . . . . . . 6609 1 462 . 1 1 82 82 LEU H H 1 7.413 0.02 . 1 . . . . . . . . 6609 1 463 . 1 1 82 82 LEU HA H 1 3.916 0.02 . 1 . . . . . . . . 6609 1 464 . 1 1 82 82 LEU HB2 H 1 1.587 0.02 . 2 . . . . . . . . 6609 1 465 . 1 1 82 82 LEU HB3 H 1 1.020 0.02 . 2 . . . . . . . . 6609 1 466 . 1 1 82 82 LEU HG H 1 1.856 0.02 . 1 . . . . . . . . 6609 1 467 . 1 1 82 82 LEU HD11 H 1 0.697 0.02 . 2 . . . . . . . . 6609 1 468 . 1 1 82 82 LEU HD12 H 1 0.697 0.02 . 2 . . . . . . . . 6609 1 469 . 1 1 82 82 LEU HD13 H 1 0.697 0.02 . 2 . . . . . . . . 6609 1 470 . 1 1 82 82 LEU HD21 H 1 0.818 0.02 . 2 . . . . . . . . 6609 1 471 . 1 1 82 82 LEU HD22 H 1 0.818 0.02 . 2 . . . . . . . . 6609 1 472 . 1 1 82 82 LEU HD23 H 1 0.818 0.02 . 2 . . . . . . . . 6609 1 473 . 1 1 82 82 LEU CA C 13 56.366 0.05 . 1 . . . . . . . . 6609 1 474 . 1 1 82 82 LEU CB C 13 42.020 0.05 . 1 . . . . . . . . 6609 1 475 . 1 1 82 82 LEU N N 15 121.085 0.05 . 1 . . . . . . . . 6609 1 476 . 1 1 83 83 LYS H H 1 7.217 0.02 . 1 . . . . . . . . 6609 1 477 . 1 1 83 83 LYS HA H 1 3.637 0.02 . 1 . . . . . . . . 6609 1 478 . 1 1 83 83 LYS HB2 H 1 1.824 0.02 . 2 . . . . . . . . 6609 1 479 . 1 1 83 83 LYS HG2 H 1 1.242 0.02 . 2 . . . . . . . . 6609 1 480 . 1 1 83 83 LYS HD2 H 1 1.584 0.02 . 2 . . . . . . . . 6609 1 481 . 1 1 83 83 LYS HD3 H 1 1.660 0.02 . 2 . . . . . . . . 6609 1 482 . 1 1 83 83 LYS HE2 H 1 2.980 0.02 . 2 . . . . . . . . 6609 1 483 . 1 1 83 83 LYS CA C 13 56.128 0.05 . 1 . . . . . . . . 6609 1 484 . 1 1 83 83 LYS CB C 13 29.475 0.05 . 1 . . . . . . . . 6609 1 485 . 1 1 83 83 LYS N N 15 115.019 0.05 . 1 . . . . . . . . 6609 1 486 . 1 1 84 84 ILE H H 1 7.713 0.02 . 1 . . . . . . . . 6609 1 487 . 1 1 84 84 ILE HA H 1 3.593 0.02 . 1 . . . . . . . . 6609 1 488 . 1 1 84 84 ILE HB H 1 1.369 0.02 . 1 . . . . . . . . 6609 1 489 . 1 1 84 84 ILE HG12 H 1 0.925 0.02 . 2 . . . . . . . . 6609 1 490 . 1 1 84 84 ILE HG13 H 1 -0.124 0.02 . 2 . . . . . . . . 6609 1 491 . 1 1 84 84 ILE HG21 H 1 0.688 0.02 . 1 . . . . . . . . 6609 1 492 . 1 1 84 84 ILE HG22 H 1 0.688 0.02 . 1 . . . . . . . . 6609 1 493 . 1 1 84 84 ILE HG23 H 1 0.688 0.02 . 1 . . . . . . . . 6609 1 494 . 1 1 84 84 ILE HD11 H 1 0.379 0.02 . 1 . . . . . . . . 6609 1 495 . 1 1 84 84 ILE HD12 H 1 0.379 0.02 . 1 . . . . . . . . 6609 1 496 . 1 1 84 84 ILE HD13 H 1 0.379 0.02 . 1 . . . . . . . . 6609 1 497 . 1 1 84 84 ILE CA C 13 59.355 0.05 . 1 . . . . . . . . 6609 1 498 . 1 1 84 84 ILE CB C 13 38.177 0.05 . 1 . . . . . . . . 6609 1 499 . 1 1 84 84 ILE CG1 C 13 26.971 0.05 . 2 . . . . . . . . 6609 1 500 . 1 1 84 84 ILE CG2 C 13 16.783 0.05 . 2 . . . . . . . . 6609 1 501 . 1 1 84 84 ILE CD1 C 13 12.794 0.05 . 1 . . . . . . . . 6609 1 502 . 1 1 84 84 ILE N N 15 123.729 0.05 . 1 . . . . . . . . 6609 1 503 . 1 1 86 86 LYS CA C 13 58.844 0.05 . 1 . . . . . . . . 6609 1 504 . 1 1 86 86 LYS CB C 13 32.478 0.05 . 1 . . . . . . . . 6609 1 505 . 1 1 87 87 ASP H H 1 8.710 0.02 . 1 . . . . . . . . 6609 1 506 . 1 1 87 87 ASP HA H 1 4.504 0.02 . 1 . . . . . . . . 6609 1 507 . 1 1 87 87 ASP HB2 H 1 2.843 0.02 . 2 . . . . . . . . 6609 1 508 . 1 1 87 87 ASP CA C 13 55.462 0.05 . 1 . . . . . . . . 6609 1 509 . 1 1 87 87 ASP CB C 13 40.059 0.05 . 1 . . . . . . . . 6609 1 510 . 1 1 87 87 ASP N N 15 119.265 0.05 . 1 . . . . . . . . 6609 1 511 . 1 1 88 88 TYR H H 1 7.997 0.02 . 1 . . . . . . . . 6609 1 512 . 1 1 88 88 TYR HA H 1 4.452 0.02 . 1 . . . . . . . . 6609 1 513 . 1 1 88 88 TYR HB2 H 1 3.137 0.02 . 2 . . . . . . . . 6609 1 514 . 1 1 88 88 TYR CA C 13 58.597 0.05 . 1 . . . . . . . . 6609 1 515 . 1 1 88 88 TYR CB C 13 39.883 0.05 . 1 . . . . . . . . 6609 1 516 . 1 1 88 88 TYR N N 15 124.719 0.05 . 1 . . . . . . . . 6609 1 517 . 1 1 89 89 VAL H H 1 7.822 0.02 . 1 . . . . . . . . 6609 1 518 . 1 1 89 89 VAL HA H 1 4.201 0.02 . 1 . . . . . . . . 6609 1 519 . 1 1 89 89 VAL HB H 1 1.750 0.02 . 1 . . . . . . . . 6609 1 520 . 1 1 89 89 VAL HG21 H 1 0.680 0.02 . 2 . . . . . . . . 6609 1 521 . 1 1 89 89 VAL HG22 H 1 0.680 0.02 . 2 . . . . . . . . 6609 1 522 . 1 1 89 89 VAL HG23 H 1 0.680 0.02 . 2 . . . . . . . . 6609 1 523 . 1 1 89 89 VAL CA C 13 61.870 0.05 . 1 . . . . . . . . 6609 1 524 . 1 1 89 89 VAL CB C 13 33.100 0.05 . 1 . . . . . . . . 6609 1 525 . 1 1 89 89 VAL CG2 C 13 22.439 0.05 . 2 . . . . . . . . 6609 1 526 . 1 1 89 89 VAL N N 15 123.759 0.05 . 1 . . . . . . . . 6609 1 527 . 1 1 90 90 VAL H H 1 8.683 0.02 . 1 . . . . . . . . 6609 1 528 . 1 1 90 90 VAL HA H 1 4.295 0.02 . 1 . . . . . . . . 6609 1 529 . 1 1 90 90 VAL HB H 1 1.996 0.02 . 1 . . . . . . . . 6609 1 530 . 1 1 90 90 VAL HG11 H 1 0.841 0.02 . 2 . . . . . . . . 6609 1 531 . 1 1 90 90 VAL HG12 H 1 0.841 0.02 . 2 . . . . . . . . 6609 1 532 . 1 1 90 90 VAL HG13 H 1 0.841 0.02 . 2 . . . . . . . . 6609 1 533 . 1 1 90 90 VAL HG21 H 1 1.130 0.02 . 2 . . . . . . . . 6609 1 534 . 1 1 90 90 VAL HG22 H 1 1.130 0.02 . 2 . . . . . . . . 6609 1 535 . 1 1 90 90 VAL HG23 H 1 1.130 0.02 . 2 . . . . . . . . 6609 1 536 . 1 1 90 90 VAL CA C 13 63.188 0.05 . 1 . . . . . . . . 6609 1 537 . 1 1 90 90 VAL CB C 13 33.110 0.05 . 1 . . . . . . . . 6609 1 538 . 1 1 90 90 VAL N N 15 131.367 0.05 . 1 . . . . . . . . 6609 1 539 . 1 1 91 91 GLN H H 1 8.382 0.02 . 1 . . . . . . . . 6609 1 540 . 1 1 91 91 GLN HA H 1 4.683 0.02 . 1 . . . . . . . . 6609 1 541 . 1 1 91 91 GLN HB2 H 1 2.076 0.02 . 2 . . . . . . . . 6609 1 542 . 1 1 91 91 GLN HG2 H 1 2.326 0.02 . 2 . . . . . . . . 6609 1 543 . 1 1 91 91 GLN CA C 13 55.195 0.05 . 1 . . . . . . . . 6609 1 544 . 1 1 91 91 GLN CB C 13 29.962 0.05 . 1 . . . . . . . . 6609 1 545 . 1 1 91 91 GLN N N 15 128.301 0.05 . 1 . . . . . . . . 6609 1 546 . 1 1 92 92 VAL H H 1 8.377 0.02 . 1 . . . . . . . . 6609 1 547 . 1 1 92 92 VAL HA H 1 4.667 0.02 . 1 . . . . . . . . 6609 1 548 . 1 1 92 92 VAL HB H 1 1.700 0.02 . 1 . . . . . . . . 6609 1 549 . 1 1 92 92 VAL HG11 H 1 -0.373 0.02 . 2 . . . . . . . . 6609 1 550 . 1 1 92 92 VAL HG12 H 1 -0.373 0.02 . 2 . . . . . . . . 6609 1 551 . 1 1 92 92 VAL HG13 H 1 -0.373 0.02 . 2 . . . . . . . . 6609 1 552 . 1 1 92 92 VAL HG21 H 1 0.563 0.02 . 2 . . . . . . . . 6609 1 553 . 1 1 92 92 VAL HG22 H 1 0.563 0.02 . 2 . . . . . . . . 6609 1 554 . 1 1 92 92 VAL HG23 H 1 0.563 0.02 . 2 . . . . . . . . 6609 1 555 . 1 1 92 92 VAL CA C 13 61.368 0.05 . 1 . . . . . . . . 6609 1 556 . 1 1 92 92 VAL CB C 13 33.426 0.05 . 1 . . . . . . . . 6609 1 557 . 1 1 92 92 VAL CG1 C 13 19.362 0.05 . 2 . . . . . . . . 6609 1 558 . 1 1 92 92 VAL CG2 C 13 20.200 0.05 . 2 . . . . . . . . 6609 1 559 . 1 1 92 92 VAL N N 15 125.603 0.05 . 1 . . . . . . . . 6609 1 560 . 1 1 93 93 ILE H H 1 9.704 0.02 . 1 . . . . . . . . 6609 1 561 . 1 1 93 93 ILE HA H 1 4.198 0.02 . 1 . . . . . . . . 6609 1 562 . 1 1 93 93 ILE HB H 1 2.139 0.02 . 1 . . . . . . . . 6609 1 563 . 1 1 93 93 ILE HG12 H 1 1.608 0.02 . 2 . . . . . . . . 6609 1 564 . 1 1 93 93 ILE HG13 H 1 1.378 0.02 . 2 . . . . . . . . 6609 1 565 . 1 1 93 93 ILE HG21 H 1 0.921 0.02 . 1 . . . . . . . . 6609 1 566 . 1 1 93 93 ILE HG22 H 1 0.921 0.02 . 1 . . . . . . . . 6609 1 567 . 1 1 93 93 ILE HG23 H 1 0.921 0.02 . 1 . . . . . . . . 6609 1 568 . 1 1 93 93 ILE HD11 H 1 0.753 0.02 . 1 . . . . . . . . 6609 1 569 . 1 1 93 93 ILE HD12 H 1 0.753 0.02 . 1 . . . . . . . . 6609 1 570 . 1 1 93 93 ILE HD13 H 1 0.753 0.02 . 1 . . . . . . . . 6609 1 571 . 1 1 93 93 ILE CA C 13 60.946 0.05 . 1 . . . . . . . . 6609 1 572 . 1 1 93 93 ILE CB C 13 38.078 0.05 . 1 . . . . . . . . 6609 1 573 . 1 1 93 93 ILE CG1 C 13 28.294 0.05 . 1 . . . . . . . . 6609 1 574 . 1 1 93 93 ILE CD1 C 13 12.201 0.05 . 1 . . . . . . . . 6609 1 575 . 1 1 93 93 ILE N N 15 131.238 0.05 . 1 . . . . . . . . 6609 1 576 . 1 1 94 94 VAL H H 1 8.637 0.02 . 1 . . . . . . . . 6609 1 577 . 1 1 94 94 VAL HA H 1 4.871 0.02 . 1 . . . . . . . . 6609 1 578 . 1 1 94 94 VAL HB H 1 2.014 0.02 . 1 . . . . . . . . 6609 1 579 . 1 1 94 94 VAL HG11 H 1 0.936 0.02 . 2 . . . . . . . . 6609 1 580 . 1 1 94 94 VAL HG12 H 1 0.936 0.02 . 2 . . . . . . . . 6609 1 581 . 1 1 94 94 VAL HG13 H 1 0.936 0.02 . 2 . . . . . . . . 6609 1 582 . 1 1 94 94 VAL HG21 H 1 0.981 0.02 . 2 . . . . . . . . 6609 1 583 . 1 1 94 94 VAL HG22 H 1 0.981 0.02 . 2 . . . . . . . . 6609 1 584 . 1 1 94 94 VAL HG23 H 1 0.981 0.02 . 2 . . . . . . . . 6609 1 585 . 1 1 94 94 VAL CA C 13 60.891 0.05 . 1 . . . . . . . . 6609 1 586 . 1 1 94 94 VAL CB C 13 32.926 0.05 . 1 . . . . . . . . 6609 1 587 . 1 1 94 94 VAL N N 15 131.475 0.05 . 1 . . . . . . . . 6609 1 588 . 1 1 95 95 SER H H 1 8.823 0.02 . 1 . . . . . . . . 6609 1 589 . 1 1 95 95 SER HA H 1 4.562 0.02 . 1 . . . . . . . . 6609 1 590 . 1 1 95 95 SER HB2 H 1 3.826 0.02 . 2 . . . . . . . . 6609 1 591 . 1 1 95 95 SER CA C 13 60.890 0.05 . 1 . . . . . . . . 6609 1 592 . 1 1 95 95 SER CB C 13 64.172 0.05 . 1 . . . . . . . . 6609 1 593 . 1 1 95 95 SER N N 15 124.893 0.05 . 1 . . . . . . . . 6609 1 594 . 1 1 96 96 GLN H H 1 8.454 0.02 . 1 . . . . . . . . 6609 1 595 . 1 1 96 96 GLN HA H 1 4.542 0.02 . 1 . . . . . . . . 6609 1 596 . 1 1 96 96 GLN HB2 H 1 1.936 0.02 . 2 . . . . . . . . 6609 1 597 . 1 1 96 96 GLN HG2 H 1 2.382 0.02 . 2 . . . . . . . . 6609 1 598 . 1 1 96 96 GLN N N 15 125.054 0.05 . 1 . . . . . . . . 6609 1 599 . 1 1 98 98 VAL H H 1 8.204 0.02 . 1 . . . . . . . . 6609 1 600 . 1 1 98 98 VAL HA H 1 4.030 0.02 . 1 . . . . . . . . 6609 1 601 . 1 1 98 98 VAL N N 15 122.504 0.05 . 1 . . . . . . . . 6609 1 602 . 1 1 99 99 GLN H H 1 8.470 0.02 . 1 . . . . . . . . 6609 1 603 . 1 1 99 99 GLN HA H 1 4.263 0.02 . 1 . . . . . . . . 6609 1 604 . 1 1 99 99 GLN N N 15 126.130 0.05 . 1 . . . . . . . . 6609 1 605 . 1 1 100 100 ASN H H 1 8.487 0.02 . 1 . . . . . . . . 6609 1 606 . 1 1 100 100 ASN HA H 1 4.290 0.02 . 1 . . . . . . . . 6609 1 607 . 1 1 100 100 ASN N N 15 125.410 0.05 . 1 . . . . . . . . 6609 1 608 . 1 1 102 102 THR H H 1 8.275 0.02 . 1 . . . . . . . . 6609 1 609 . 1 1 102 102 THR HA H 1 4.542 0.02 . 1 . . . . . . . . 6609 1 610 . 1 1 102 102 THR N N 15 119.528 0.05 . 1 . . . . . . . . 6609 1 stop_ save_