data_10062 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10062 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for Nedd8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-07 _Entry.Accession_date 2006-12-07 _Entry.Last_release_date 2007-03-23 _Entry.Original_release_date 2007-03-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Eri Sakata . . . 10062 2 Yoshiki Yamaguchi . . . 10062 3 Yasuhiro Miyauchi . . . 10062 4 Kazuhiro Iwai . . . 10062 5 Tomoki Chiba . . . 10062 6 Yasusi Saeki . . . 10062 7 Noriyuki Matsuda . . . 10062 8 Keiji Tanaka . . . 10062 9 Koichi Kato . . . 10062 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10062 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 72 10062 '1H chemical shifts' 72 10062 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 . . 2007-03-23 2006-12-07 original author . 10062 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10062 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17206147 _Citation.Full_citation . _Citation.Title ; Direct interactions between Nedd8 and ubiquitin E2 conjugating enzymes upregulate cullin-based E3 ligase activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 2 _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 167 _Citation.Page_last 168 _Citation.Year 2007 _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 Eri Sakata . . . 10062 1 2 Yoshiki Yamaguchi . . . 10062 1 3 Yasuhiro Miyauchi . . . 10062 1 4 Kazuhiro Iwai . . . 10062 1 5 Tomoki Chiba . . . 10062 1 6 Yasusi Saeki . . . 10062 1 7 Noriyuki Matsuda . . . 10062 1 8 Keiji Tanaka . . . 10062 1 9 Koichi Kato . . . 10062 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10062 _Assembly.ID 1 _Assembly.Name 'Nedd8 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state unknown _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 'protein monomer' 10062 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 'Nedd8 monomer' 1 $Nedd8_polypeptide . . no native no no . . . 10062 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nedd8_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode Nedd8_polypeptide _Entity.Entry_ID 10062 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nedd8 _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 ; MGSSHHHHHHSSGLVPRGSH MLIKVKTLTGKEIEIDIEPT DKVERIKERVEEKEGIPPQQ QRLIYSGKQMNDEKTAADYK ILGGSVLHLVLALRGG ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NDD . "Structure Of Nedd8" . . . . . 79.17 76 100.00 100.00 7.20e-45 . . . . 10062 1 2 no PDB 1R4M . "Appbp1-Uba3-Nedd8, An E1-Ubiquitin-Like Protein Complex" . . . . . 79.17 76 100.00 100.00 7.20e-45 . . . . 10062 1 3 no PDB 1R4N . "Appbp1-Uba3-Nedd8, An E1-Ubiquitin-Like Protein Complex With Atp" . . . . . 79.17 76 100.00 100.00 7.20e-45 . . . . 10062 1 4 no PDB 1XT9 . "Crystal Structure Of Den1 In Complex With Nedd8" . . . . . 79.17 76 100.00 100.00 7.20e-45 . . . . 10062 1 5 no PDB 2BKR . "Nedd8 Nedp1 Complex" . . . . . 79.17 77 100.00 100.00 6.78e-45 . . . . 10062 1 6 no PDB 2KO3 . "Nedd8 Solution Structure" . . . . . 79.17 76 100.00 100.00 7.20e-45 . . . . 10062 1 7 no PDB 2NVU . "Structure Of Appbp1-Uba3~nedd8-Nedd8-Mgatp-Ubc12(C111a), A Trapped Ubiquitin-Like Protein Activation Complex" . . . . . 82.29 81 97.47 97.47 1.62e-45 . . . . 10062 1 8 no PDB 4F8C . "Structure Of The Cif:nedd8 Complex - Yersinia Pseudotuberculosis Cycle Inhibiting Factor In Complex With Human Nedd8" . . . . . 79.17 88 100.00 100.00 5.20e-44 . . . . 10062 1 9 no PDB 4FBJ . "Structure Of The Cif:nedd8 Complex - Photorhabdus Luminescens Cycle Inhibiting Factor In Complex With Human Nedd8" . . . . . 79.17 88 100.00 100.00 5.20e-44 . . . . 10062 1 10 no PDB 4HCP . "Crystal Structure Of Burkholderia Pseudomallei Effector Protein Chbp In Complex With Nedd8" . . . . . 81.25 78 97.44 98.72 3.22e-45 . . . . 10062 1 11 no PDB 4P5O . "Structure Of An Rbx1-ubc12~nedd8-cul1-dcn1 Complex: A Ring-e3- E2~ubiquitin-like Protein-substrate Intermediate Trapped In Acti" . . . . . 82.29 81 97.47 97.47 1.62e-45 . . . . 10062 1 12 no DBJ BAA01719 . "ubiquitin like protein [Mus musculus]" . . . . . 79.17 81 100.00 100.00 1.32e-44 . . . . 10062 1 13 no DBJ BAA04889 . "ubiquitin-like protein [Homo sapiens]" . . . . . 79.17 81 100.00 100.00 1.24e-44 . . . . 10062 1 14 no DBJ BAE27394 . "unnamed protein product [Mus musculus]" . . . . . 79.17 81 100.00 100.00 1.32e-44 . . . . 10062 1 15 no DBJ BAE27660 . "unnamed protein product [Mus musculus]" . . . . . 79.17 81 100.00 100.00 1.32e-44 . . . . 10062 1 16 no DBJ BAE34759 . "unnamed protein product [Mus musculus]" . . . . . 65.63 68 100.00 100.00 1.62e-35 . . . . 10062 1 17 no EMBL CAF89342 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 72.92 70 98.57 98.57 9.76e-40 . . . . 10062 1 18 no EMBL CAF97715 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 79.17 77 98.68 98.68 6.30e-44 . . . . 10062 1 19 no EMBL CAG05755 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 79.17 86 98.68 98.68 2.09e-43 . . . . 10062 1 20 no EMBL CAG28590 . "NEDD8 [Homo sapiens]" . . . . . 79.17 81 98.68 100.00 1.54e-44 . . . . 10062 1 21 no EMBL CAJ82981 . "neural precursor cell expressed, developmentally down-regulated 8 [Xenopus (Silurana) tropicalis]" . . . . . 79.17 77 98.68 98.68 6.73e-44 . . . . 10062 1 22 no GB AAC64189 . "ubiquitin-like protein [Rattus norvegicus]" . . . . . 79.17 81 100.00 100.00 1.32e-44 . . . . 10062 1 23 no GB AAF73911 . "NEDD8 [Bos taurus]" . . . . . 79.17 81 100.00 100.00 1.24e-44 . . . . 10062 1 24 no GB AAH04625 . "Neural precursor cell expressed, developmentally down-regulated gene 8 [Mus musculus]" . . . . . 79.17 81 100.00 100.00 1.32e-44 . . . . 10062 1 25 no GB AAH55645 . "Neural precursor cell expressed, developmentally down-regulated 8 [Danio rerio]" . . . . . 79.17 89 98.68 98.68 1.25e-43 . . . . 10062 1 26 no GB AAH76245 . "Neural precursor cell expressed, developmentally down-regulated 8, like [Danio rerio]" . . . . . 79.17 80 98.68 98.68 9.09e-44 . . . . 10062 1 27 no REF NP_001002557 . "neural precursor cell expressed, developmentally down-regulated 8, like [Danio rerio]" . . . . . 79.17 80 98.68 98.68 9.09e-44 . . . . 10062 1 28 no REF NP_001016973 . "neural precursor cell expressed, developmentally down-regulated 8 [Xenopus (Silurana) tropicalis]" . . . . . 79.17 77 98.68 98.68 6.73e-44 . . . . 10062 1 29 no REF NP_001075681 . "NEDD8 precursor [Oryctolagus cuniculus]" . . . . . 79.17 81 100.00 100.00 1.24e-44 . . . . 10062 1 30 no REF NP_001154087 . "neural precursor cell expressed, developmentally down-regulated 8 [Oncorhynchus mykiss]" . . . . . 79.17 88 98.68 98.68 8.48e-44 . . . . 10062 1 31 no REF NP_001187300 . "neural precursor cell expressed, developmentally down-regulated 8 [Ictalurus punctatus]" . . . . . 79.17 89 97.37 97.37 1.95e-42 . . . . 10062 1 32 no SP P29595 . "RecName: Full=NEDD8; AltName: Full=Neddylin; AltName: Full=Neural precursor cell expressed developmentally down-regulated prote" . . . . . 79.17 81 100.00 100.00 1.32e-44 . . . . 10062 1 33 no SP P61282 . "RecName: Full=NEDD8; AltName: Full=Neddylin; AltName: Full=Ubiquitin-like protein Nedd8; Flags: Precursor" . . . . . 79.17 81 100.00 100.00 1.24e-44 . . . . 10062 1 34 no SP Q15843 . "RecName: Full=NEDD8; AltName: Full=Neddylin; AltName: Full=Neural precursor cell expressed developmentally down-regulated prote" . . . . . 79.17 81 100.00 100.00 1.24e-44 . . . . 10062 1 35 no SP Q4PLJ0 . "RecName: Full=NEDD8; AltName: Full=Neddylin; AltName: Full=Ubiquitin-like protein Nedd8; Flags: Precursor" . . . . . 79.17 81 100.00 100.00 1.24e-44 . . . . 10062 1 36 no SP Q71UE8 . "RecName: Full=NEDD8; AltName: Full=Neddylin; AltName: Full=Ubiquitin-like protein NEDD8; Flags: Precursor" . . . . . 79.17 81 100.00 100.00 1.32e-44 . . . . 10062 1 37 no TPG DAA25711 . "TPA: NEDD8 precursor [Bos taurus]" . . . . . 78.13 75 100.00 100.00 4.22e-44 . . . . 10062 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 -19 MET . 10062 1 2 -18 GLY . 10062 1 3 -17 SER . 10062 1 4 -16 SER . 10062 1 5 -15 HIS . 10062 1 6 -14 HIS . 10062 1 7 -13 HIS . 10062 1 8 -12 HIS . 10062 1 9 -11 HIS . 10062 1 10 -10 HIS . 10062 1 11 -9 SER . 10062 1 12 -8 SER . 10062 1 13 -7 GLY . 10062 1 14 -6 LEU . 10062 1 15 -5 VAL . 10062 1 16 -4 PRO . 10062 1 17 -3 ARG . 10062 1 18 -2 GLY . 10062 1 19 -1 SER . 10062 1 20 0 HIS . 10062 1 21 1 MET . 10062 1 22 2 LEU . 10062 1 23 3 ILE . 10062 1 24 4 LYS . 10062 1 25 5 VAL . 10062 1 26 6 LYS . 10062 1 27 7 THR . 10062 1 28 8 LEU . 10062 1 29 9 THR . 10062 1 30 10 GLY . 10062 1 31 11 LYS . 10062 1 32 12 GLU . 10062 1 33 13 ILE . 10062 1 34 14 GLU . 10062 1 35 15 ILE . 10062 1 36 16 ASP . 10062 1 37 17 ILE . 10062 1 38 18 GLU . 10062 1 39 19 PRO . 10062 1 40 20 THR . 10062 1 41 21 ASP . 10062 1 42 22 LYS . 10062 1 43 23 VAL . 10062 1 44 24 GLU . 10062 1 45 25 ARG . 10062 1 46 26 ILE . 10062 1 47 27 LYS . 10062 1 48 28 GLU . 10062 1 49 29 ARG . 10062 1 50 30 VAL . 10062 1 51 31 GLU . 10062 1 52 32 GLU . 10062 1 53 33 LYS . 10062 1 54 34 GLU . 10062 1 55 35 GLY . 10062 1 56 36 ILE . 10062 1 57 37 PRO . 10062 1 58 38 PRO . 10062 1 59 39 GLN . 10062 1 60 40 GLN . 10062 1 61 41 GLN . 10062 1 62 42 ARG . 10062 1 63 43 LEU . 10062 1 64 44 ILE . 10062 1 65 45 TYR . 10062 1 66 46 SER . 10062 1 67 47 GLY . 10062 1 68 48 LYS . 10062 1 69 49 GLN . 10062 1 70 50 MET . 10062 1 71 51 ASN . 10062 1 72 52 ASP . 10062 1 73 53 GLU . 10062 1 74 54 LYS . 10062 1 75 55 THR . 10062 1 76 56 ALA . 10062 1 77 57 ALA . 10062 1 78 58 ASP . 10062 1 79 59 TYR . 10062 1 80 60 LYS . 10062 1 81 61 ILE . 10062 1 82 62 LEU . 10062 1 83 63 GLY . 10062 1 84 64 GLY . 10062 1 85 65 SER . 10062 1 86 66 VAL . 10062 1 87 67 LEU . 10062 1 88 68 HIS . 10062 1 89 69 LEU . 10062 1 90 70 VAL . 10062 1 91 71 LEU . 10062 1 92 72 ALA . 10062 1 93 73 LEU . 10062 1 94 74 ARG . 10062 1 95 75 GLY . 10062 1 96 76 GLY . 10062 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 10062 1 . GLY 2 2 10062 1 . SER 3 3 10062 1 . SER 4 4 10062 1 . HIS 5 5 10062 1 . HIS 6 6 10062 1 . HIS 7 7 10062 1 . HIS 8 8 10062 1 . HIS 9 9 10062 1 . HIS 10 10 10062 1 . SER 11 11 10062 1 . SER 12 12 10062 1 . GLY 13 13 10062 1 . LEU 14 14 10062 1 . VAL 15 15 10062 1 . PRO 16 16 10062 1 . ARG 17 17 10062 1 . GLY 18 18 10062 1 . SER 19 19 10062 1 . HIS 20 20 10062 1 . MET 21 21 10062 1 . LEU 22 22 10062 1 . ILE 23 23 10062 1 . LYS 24 24 10062 1 . VAL 25 25 10062 1 . LYS 26 26 10062 1 . THR 27 27 10062 1 . LEU 28 28 10062 1 . THR 29 29 10062 1 . GLY 30 30 10062 1 . LYS 31 31 10062 1 . GLU 32 32 10062 1 . ILE 33 33 10062 1 . GLU 34 34 10062 1 . ILE 35 35 10062 1 . ASP 36 36 10062 1 . ILE 37 37 10062 1 . GLU 38 38 10062 1 . PRO 39 39 10062 1 . THR 40 40 10062 1 . ASP 41 41 10062 1 . LYS 42 42 10062 1 . VAL 43 43 10062 1 . GLU 44 44 10062 1 . ARG 45 45 10062 1 . ILE 46 46 10062 1 . LYS 47 47 10062 1 . GLU 48 48 10062 1 . ARG 49 49 10062 1 . VAL 50 50 10062 1 . GLU 51 51 10062 1 . GLU 52 52 10062 1 . LYS 53 53 10062 1 . GLU 54 54 10062 1 . GLY 55 55 10062 1 . ILE 56 56 10062 1 . PRO 57 57 10062 1 . PRO 58 58 10062 1 . GLN 59 59 10062 1 . GLN 60 60 10062 1 . GLN 61 61 10062 1 . ARG 62 62 10062 1 . LEU 63 63 10062 1 . ILE 64 64 10062 1 . TYR 65 65 10062 1 . SER 66 66 10062 1 . GLY 67 67 10062 1 . LYS 68 68 10062 1 . GLN 69 69 10062 1 . MET 70 70 10062 1 . ASN 71 71 10062 1 . ASP 72 72 10062 1 . GLU 73 73 10062 1 . LYS 74 74 10062 1 . THR 75 75 10062 1 . ALA 76 76 10062 1 . ALA 77 77 10062 1 . ASP 78 78 10062 1 . TYR 79 79 10062 1 . LYS 80 80 10062 1 . ILE 81 81 10062 1 . LEU 82 82 10062 1 . GLY 83 83 10062 1 . GLY 84 84 10062 1 . SER 85 85 10062 1 . VAL 86 86 10062 1 . LEU 87 87 10062 1 . HIS 88 88 10062 1 . LEU 89 89 10062 1 . VAL 90 90 10062 1 . LEU 91 91 10062 1 . ALA 92 92 10062 1 . LEU 93 93 10062 1 . ARG 94 94 10062 1 . GLY 95 95 10062 1 . GLY 96 96 10062 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 10062 _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 $Nedd8_polypeptide . 9606 . no . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . no . . . . . . . . 10062 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 10062 _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 $Nedd8_polypeptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10062 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10062 _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 Nedd8 '[U-98% 13C; U-98% 15N]' . . 1 $Nedd8_polypeptide . protein 1 . . mM . . . . 10062 1 2 MES . . . . . . buffer 50 . . mM . . . . 10062 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 10062 _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 6.0 0.1 pH 10062 1 temperature 303 1 K 10062 1 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 10062 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 10062 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 10062 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 10062 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 10062 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CA)CO _NMR_spec_expt.Entry_ID 10062 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 10062 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 10062 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCANH _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 10062 _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 0.05 external indirect 1.0 . . . . . . . . . 10062 1 N 15 DSS 'methyl protons' . . . . ppm 0.5 external indirect 0.101329118 . . . . . . . . . 10062 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_Nedd8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Nedd8 _Assigned_chem_shift_list.Entry_ID 10062 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_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 '1H-15N HSQC' 1 $sample_1 isotropic 10062 1 2 HNCA 1 $sample_1 isotropic 10062 1 3 HN(CO)CA 1 $sample_1 isotropic 10062 1 4 HNCO 1 $sample_1 isotropic 10062 1 5 HN(CA)CO 1 $sample_1 isotropic 10062 1 6 CBCA(CO)NH 1 $sample_1 isotropic 10062 1 7 CBCANH 1 $sample_1 isotropic 10062 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 21 21 MET H H 1 9.18 0.05 . 1 . . . . 1 MET H . 10062 1 2 . 1 1 21 21 MET N N 15 122.0 0.5 . 1 . . . . 1 MET N . 10062 1 3 . 1 1 22 22 LEU H H 1 8.50 0.05 . 1 . . . . 2 LEU H . 10062 1 4 . 1 1 22 22 LEU N N 15 124.9 0.5 . 1 . . . . 2 LEU N . 10062 1 5 . 1 1 23 23 ILE H H 1 9.00 0.05 . 1 . . . . 3 ILE H . 10062 1 6 . 1 1 23 23 ILE N N 15 121.3 0.5 . 1 . . . . 3 ILE N . 10062 1 7 . 1 1 24 24 LYS H H 1 8.55 0.05 . 1 . . . . 4 LYS H . 10062 1 8 . 1 1 24 24 LYS N N 15 119.4 0.5 . 1 . . . . 4 LYS N . 10062 1 9 . 1 1 25 25 VAL H H 1 9.04 0.05 . 1 . . . . 5 VAL H . 10062 1 10 . 1 1 25 25 VAL N N 15 122.5 0.5 . 1 . . . . 5 VAL N . 10062 1 11 . 1 1 26 26 LYS H H 1 9.03 0.05 . 1 . . . . 6 LYS H . 10062 1 12 . 1 1 26 26 LYS N N 15 129.2 0.5 . 1 . . . . 6 LYS N . 10062 1 13 . 1 1 27 27 THR H H 1 8.85 0.05 . 1 . . . . 7 THR H . 10062 1 14 . 1 1 27 27 THR N N 15 117.8 0.5 . 1 . . . . 7 THR N . 10062 1 15 . 1 1 28 28 LEU H H 1 9.06 0.05 . 1 . . . . 8 LEU H . 10062 1 16 . 1 1 28 28 LEU N N 15 122.0 0.5 . 1 . . . . 8 LEU N . 10062 1 17 . 1 1 29 29 THR H H 1 7.66 0.05 . 1 . . . . 9 THR H . 10062 1 18 . 1 1 29 29 THR N N 15 106.9 0.5 . 1 . . . . 9 THR N . 10062 1 19 . 1 1 30 30 GLY H H 1 7.90 0.05 . 1 . . . . 10 GLY H . 10062 1 20 . 1 1 30 30 GLY N N 15 110.6 0.5 . 1 . . . . 10 GLY N . 10062 1 21 . 1 1 31 31 LYS H H 1 7.23 0.05 . 1 . . . . 11 LYS H . 10062 1 22 . 1 1 31 31 LYS N N 15 122.9 0.5 . 1 . . . . 11 LYS N . 10062 1 23 . 1 1 32 32 GLU H H 1 8.62 0.05 . 1 . . . . 12 GLU H . 10062 1 24 . 1 1 32 32 GLU N N 15 125.0 0.5 . 1 . . . . 12 GLU N . 10062 1 25 . 1 1 33 33 ILE H H 1 9.12 0.05 . 1 . . . . 13 ILE H . 10062 1 26 . 1 1 33 33 ILE N N 15 124.9 0.5 . 1 . . . . 13 ILE N . 10062 1 27 . 1 1 34 34 GLU H H 1 8.68 0.05 . 1 . . . . 14 GLU H . 10062 1 28 . 1 1 34 34 GLU N N 15 127.1 0.5 . 1 . . . . 14 GLU N . 10062 1 29 . 1 1 35 35 ILE H H 1 8.73 0.05 . 1 . . . . 15 ILE H . 10062 1 30 . 1 1 35 35 ILE N N 15 123.3 0.5 . 1 . . . . 15 ILE N . 10062 1 31 . 1 1 36 36 ASP H H 1 8.27 0.05 . 1 . . . . 16 ASP H . 10062 1 32 . 1 1 36 36 ASP N N 15 126.1 0.5 . 1 . . . . 16 ASP N . 10062 1 33 . 1 1 37 37 ILE H H 1 8.92 0.05 . 1 . . . . 17 ILE H . 10062 1 34 . 1 1 37 37 ILE N N 15 118.7 0.5 . 1 . . . . 17 ILE N . 10062 1 35 . 1 1 38 38 GLU H H 1 8.37 0.05 . 1 . . . . 18 GLU H . 10062 1 36 . 1 1 38 38 GLU N N 15 120.0 0.5 . 1 . . . . 18 GLU N . 10062 1 37 . 1 1 40 40 THR H H 1 6.75 0.05 . 1 . . . . 20 THR H . 10062 1 38 . 1 1 40 40 THR N N 15 99.8 0.5 . 1 . . . . 20 THR N . 10062 1 39 . 1 1 41 41 ASP H H 1 7.83 0.05 . 1 . . . . 21 ASP H . 10062 1 40 . 1 1 41 41 ASP N N 15 124.1 0.5 . 1 . . . . 21 ASP N . 10062 1 41 . 1 1 42 42 LYS H H 1 8.52 0.05 . 1 . . . . 22 LYS H . 10062 1 42 . 1 1 42 42 LYS N N 15 120.7 0.5 . 1 . . . . 22 LYS N . 10062 1 43 . 1 1 43 43 VAL H H 1 9.23 0.05 . 1 . . . . 23 VAL H . 10062 1 44 . 1 1 43 43 VAL N N 15 126.6 0.5 . 1 . . . . 23 VAL N . 10062 1 45 . 1 1 44 44 GLU H H 1 8.61 0.05 . 1 . . . . 24 GLU H . 10062 1 46 . 1 1 44 44 GLU N N 15 118.9 0.5 . 1 . . . . 24 GLU N . 10062 1 47 . 1 1 45 45 ARG H H 1 7.44 0.05 . 1 . . . . 25 ARG H . 10062 1 48 . 1 1 45 45 ARG N N 15 119.7 0.5 . 1 . . . . 25 ARG N . 10062 1 49 . 1 1 46 46 ILE H H 1 7.81 0.05 . 1 . . . . 26 ILE H . 10062 1 50 . 1 1 46 46 ILE N N 15 121.3 0.5 . 1 . . . . 26 ILE N . 10062 1 51 . 1 1 47 47 LYS H H 1 7.78 0.05 . 1 . . . . 27 LYS H . 10062 1 52 . 1 1 47 47 LYS N N 15 117.9 0.5 . 1 . . . . 27 LYS N . 10062 1 53 . 1 1 48 48 GLU H H 1 7.84 0.05 . 1 . . . . 28 GLU H . 10062 1 54 . 1 1 48 48 GLU N N 15 121.8 0.5 . 1 . . . . 28 GLU N . 10062 1 55 . 1 1 49 49 ARG H H 1 8.10 0.05 . 1 . . . . 29 ARG H . 10062 1 56 . 1 1 49 49 ARG N N 15 121.3 0.5 . 1 . . . . 29 ARG N . 10062 1 57 . 1 1 50 50 VAL H H 1 8.31 0.05 . 1 . . . . 30 VAL H . 10062 1 58 . 1 1 50 50 VAL N N 15 122.1 0.5 . 1 . . . . 30 VAL N . 10062 1 59 . 1 1 52 52 GLU H H 1 7.95 0.05 . 1 . . . . 32 GLU H . 10062 1 60 . 1 1 52 52 GLU N N 15 120.1 0.5 . 1 . . . . 32 GLU N . 10062 1 61 . 1 1 53 53 LYS H H 1 7.30 0.05 . 1 . . . . 33 LYS H . 10062 1 62 . 1 1 53 53 LYS N N 15 116.0 0.5 . 1 . . . . 33 LYS N . 10062 1 63 . 1 1 54 54 GLU H H 1 8.66 0.05 . 1 . . . . 34 GLU H . 10062 1 64 . 1 1 54 54 GLU N N 15 116.3 0.5 . 1 . . . . 34 GLU N . 10062 1 65 . 1 1 55 55 GLY H H 1 8.64 0.05 . 1 . . . . 35 GLY H . 10062 1 66 . 1 1 55 55 GLY N N 15 109.7 0.5 . 1 . . . . 35 GLY N . 10062 1 67 . 1 1 56 56 ILE H H 1 6.27 0.05 . 1 . . . . 36 ILE H . 10062 1 68 . 1 1 56 56 ILE N N 15 121.1 0.5 . 1 . . . . 36 ILE N . 10062 1 69 . 1 1 59 59 GLN H H 1 8.90 0.05 . 1 . . . . 39 GLN H . 10062 1 70 . 1 1 59 59 GLN N N 15 115.6 0.5 . 1 . . . . 39 GLN N . 10062 1 71 . 1 1 60 60 GLN H H 1 7.92 0.05 . 1 . . . . 40 GLN H . 10062 1 72 . 1 1 60 60 GLN N N 15 117.5 0.5 . 1 . . . . 40 GLN N . 10062 1 73 . 1 1 61 61 GLN H H 1 7.62 0.05 . 1 . . . . 41 GLN H . 10062 1 74 . 1 1 61 61 GLN N N 15 119.1 0.5 . 1 . . . . 41 GLN N . 10062 1 75 . 1 1 62 62 ARG H H 1 8.67 0.05 . 1 . . . . 42 ARG H . 10062 1 76 . 1 1 62 62 ARG N N 15 123.6 0.5 . 1 . . . . 42 ARG N . 10062 1 77 . 1 1 63 63 LEU H H 1 8.49 0.05 . 1 . . . . 43 LEU H . 10062 1 78 . 1 1 63 63 LEU N N 15 124.0 0.5 . 1 . . . . 43 LEU N . 10062 1 79 . 1 1 64 64 ILE H H 1 9.23 0.05 . 1 . . . . 44 ILE H . 10062 1 80 . 1 1 64 64 ILE N N 15 124.6 0.5 . 1 . . . . 44 ILE N . 10062 1 81 . 1 1 65 65 TYR H H 1 8.78 0.05 . 1 . . . . 45 TYR H . 10062 1 82 . 1 1 65 65 TYR N N 15 126.4 0.5 . 1 . . . . 45 TYR N . 10062 1 83 . 1 1 66 66 SER H H 1 9.07 0.05 . 1 . . . . 46 SER H . 10062 1 84 . 1 1 66 66 SER N N 15 126.8 0.5 . 1 . . . . 46 SER N . 10062 1 85 . 1 1 67 67 GLY H H 1 8.38 0.05 . 1 . . . . 47 GLY H . 10062 1 86 . 1 1 67 67 GLY N N 15 104.5 0.5 . 1 . . . . 47 GLY N . 10062 1 87 . 1 1 68 68 LYS H H 1 7.80 0.05 . 1 . . . . 48 LYS H . 10062 1 88 . 1 1 68 68 LYS N N 15 121.9 0.5 . 1 . . . . 48 LYS N . 10062 1 89 . 1 1 69 69 GLN H H 1 8.78 0.05 . 1 . . . . 49 GLN H . 10062 1 90 . 1 1 69 69 GLN N N 15 124.5 0.5 . 1 . . . . 49 GLN N . 10062 1 91 . 1 1 70 70 MET H H 1 8.62 0.05 . 1 . . . . 50 MET H . 10062 1 92 . 1 1 70 70 MET N N 15 126.5 0.5 . 1 . . . . 50 MET N . 10062 1 93 . 1 1 71 71 ASN H H 1 8.60 0.05 . 1 . . . . 51 ASN H . 10062 1 94 . 1 1 71 71 ASN N N 15 123.9 0.5 . 1 . . . . 51 ASN N . 10062 1 95 . 1 1 72 72 ASP H H 1 8.50 0.05 . 1 . . . . 52 ASP H . 10062 1 96 . 1 1 72 72 ASP N N 15 124.3 0.5 . 1 . . . . 52 ASP N . 10062 1 97 . 1 1 73 73 GLU H H 1 8.77 0.05 . 1 . . . . 53 GLU H . 10062 1 98 . 1 1 73 73 GLU N N 15 115.2 0.5 . 1 . . . . 53 GLU N . 10062 1 99 . 1 1 74 74 LYS H H 1 7.56 0.05 . 1 . . . . 54 LYS H . 10062 1 100 . 1 1 74 74 LYS N N 15 121.4 0.5 . 1 . . . . 54 LYS N . 10062 1 101 . 1 1 75 75 THR H H 1 9.19 0.05 . 1 . . . . 55 THR H . 10062 1 102 . 1 1 75 75 THR N N 15 109.5 0.5 . 1 . . . . 55 THR N . 10062 1 103 . 1 1 76 76 ALA H H 1 8.33 0.05 . 1 . . . . 56 ALA H . 10062 1 104 . 1 1 76 76 ALA N N 15 122.2 0.5 . 1 . . . . 56 ALA N . 10062 1 105 . 1 1 77 77 ALA H H 1 8.45 0.05 . 1 . . . . 57 ALA H . 10062 1 106 . 1 1 77 77 ALA N N 15 120.8 0.5 . 1 . . . . 57 ALA N . 10062 1 107 . 1 1 78 78 ASP H H 1 7.93 0.05 . 1 . . . . 58 ASP H . 10062 1 108 . 1 1 78 78 ASP N N 15 121.4 0.5 . 1 . . . . 58 ASP N . 10062 1 109 . 1 1 79 79 TYR H H 1 7.37 0.05 . 1 . . . . 59 TYR H . 10062 1 110 . 1 1 79 79 TYR N N 15 116.9 0.5 . 1 . . . . 59 TYR N . 10062 1 111 . 1 1 80 80 LYS H H 1 8.00 0.05 . 1 . . . . 60 LYS H . 10062 1 112 . 1 1 80 80 LYS N N 15 116.5 0.5 . 1 . . . . 60 LYS N . 10062 1 113 . 1 1 81 81 ILE H H 1 7.11 0.05 . 1 . . . . 61 ILE H . 10062 1 114 . 1 1 81 81 ILE N N 15 119.1 0.5 . 1 . . . . 61 ILE N . 10062 1 115 . 1 1 82 82 LEU H H 1 7.21 0.05 . 1 . . . . 62 LEU H . 10062 1 116 . 1 1 82 82 LEU N N 15 125.8 0.5 . 1 . . . . 62 LEU N . 10062 1 117 . 1 1 83 83 GLY H H 1 8.68 0.05 . 1 . . . . 63 GLY H . 10062 1 118 . 1 1 83 83 GLY N N 15 108.5 0.5 . 1 . . . . 63 GLY N . 10062 1 119 . 1 1 84 84 GLY H H 1 9.27 0.05 . 1 . . . . 64 GLY H . 10062 1 120 . 1 1 84 84 GLY N N 15 114.4 0.5 . 1 . . . . 64 GLY N . 10062 1 121 . 1 1 85 85 SER H H 1 8.13 0.05 . 1 . . . . 65 SER H . 10062 1 122 . 1 1 85 85 SER N N 15 118.6 0.5 . 1 . . . . 65 SER N . 10062 1 123 . 1 1 86 86 VAL H H 1 8.44 0.05 . 1 . . . . 66 VAL H . 10062 1 124 . 1 1 86 86 VAL N N 15 122.1 0.5 . 1 . . . . 66 VAL N . 10062 1 125 . 1 1 87 87 LEU H H 1 9.24 0.05 . 1 . . . . 67 LEU H . 10062 1 126 . 1 1 87 87 LEU N N 15 128.8 0.5 . 1 . . . . 67 LEU N . 10062 1 127 . 1 1 88 88 HIS H H 1 9.14 0.05 . 1 . . . . 68 HIS H . 10062 1 128 . 1 1 88 88 HIS N N 15 120.5 0.5 . 1 . . . . 68 HIS N . 10062 1 129 . 1 1 89 89 LEU H H 1 8.27 0.05 . 1 . . . . 69 LEU H . 10062 1 130 . 1 1 89 89 LEU N N 15 125.3 0.5 . 1 . . . . 69 LEU N . 10062 1 131 . 1 1 90 90 VAL H H 1 9.09 0.05 . 1 . . . . 70 VAL H . 10062 1 132 . 1 1 90 90 VAL N N 15 126.9 0.5 . 1 . . . . 70 VAL N . 10062 1 133 . 1 1 91 91 LEU H H 1 8.18 0.05 . 1 . . . . 71 LEU H . 10062 1 134 . 1 1 91 91 LEU N N 15 124.3 0.5 . 1 . . . . 71 LEU N . 10062 1 135 . 1 1 92 92 ALA H H 1 8.58 0.05 . 1 . . . . 72 ALA H . 10062 1 136 . 1 1 92 92 ALA N N 15 127.7 0.5 . 1 . . . . 72 ALA N . 10062 1 137 . 1 1 93 93 LEU H H 1 8.18 0.05 . 1 . . . . 73 LEU H . 10062 1 138 . 1 1 93 93 LEU N N 15 122.7 0.5 . 1 . . . . 73 LEU N . 10062 1 139 . 1 1 94 94 ARG H H 1 8.39 0.05 . 1 . . . . 74 ARG H . 10062 1 140 . 1 1 94 94 ARG N N 15 122.6 0.5 . 1 . . . . 74 ARG N . 10062 1 141 . 1 1 95 95 GLY H H 1 8.44 0.05 . 1 . . . . 75 GLY H . 10062 1 142 . 1 1 95 95 GLY N N 15 111.9 0.5 . 1 . . . . 75 GLY N . 10062 1 143 . 1 1 96 96 GLY H H 1 7.92 0.05 . 1 . . . . 76 GLY H . 10062 1 144 . 1 1 96 96 GLY N N 15 116.1 0.5 . 1 . . . . 76 GLY N . 10062 1 stop_ save_