data_19330 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19330 _Entry.Title ; Sequence Specific Backbone 1H, 15N and 13C assignments of the MAPK binding domain of DUSP 16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-28 _Entry.Accession_date 2013-06-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ganesan 'Senthil Kumar' . . . 19330 2 Wolfgang Peti . . . 19330 3 Rebecca Page . . . 19330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 19330 '15N chemical shifts' 123 19330 '1H chemical shifts' 123 19330 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 2 . . 2013-10-09 2013-06-28 update BMRB 'update entry citation' 19330 1 . . 2013-08-15 2013-06-28 original author 'original release' 19330 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19330 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23926106 _Citation.Full_citation . _Citation.Title 'Structural Basis for the Regulation of the Mitogen-activated Protein (MAP) Kinase p38 by the Dual Specificity Phosphatase 16 MAP Kinase Binding Domain in Solution.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 39 _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 28347 _Citation.Page_last 28356 _Citation.Year 2013 _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 'Ganesan Senthil' Kumar . . . 19330 1 2 Heiko Zettl . . . 19330 1 3 Rebecca Page . . . 19330 1 4 Wolfgang Peti . . . 19330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19330 _Assembly.ID 1 _Assembly.Name 'DUSP16 Monomer' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MAPK 1 $DUSP16 A . yes native no no . . . 19330 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 yes PDB 2VSW . . . . . . 19330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DUSP16 _Entity.Sf_category entity _Entity.Sf_framecode DUSP16 _Entity.Entry_ID 19330 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DUSP16 _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 ; GTQIVTERLVALLESGTEKV LLIDSRPFVEYNTSHILEAI NINCSKLMKRRLQQDKVLIT ELIQHSAKHKVDIDCSQKVV VYDQSSQDVASLSSDCFLTV LLGKLEKSFNSVHLLAGGFA EFSRCFPGLCEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 5-138' _Entity.Polymer_author_seq_details ; GH - N-terminal sequencing artifact; LEHHHHHH - C-terminal cloning artefact and HIS6-tag ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2VSW . "The Structure Of The Rhodanese Domain Of The Human Dual Specificity Phosphatase 16" . . . . . 100.00 153 100.00 100.00 4.91e-89 . . . . 19330 1 2 no PDB 3TG3 . "Crystal Structure Of The Mapk Binding Domain Of Mkp7" . . . . . 100.00 142 100.00 100.00 4.29e-89 . . . . 19330 1 3 no DBJ BAB21791 . "KIAA1700 protein [Homo sapiens]" . . . . . 100.00 665 100.00 100.00 1.44e-84 . . . . 19330 1 4 no DBJ BAB40814 . "MAPK phosphatase-7 [Homo sapiens]" . . . . . 100.00 665 100.00 100.00 1.44e-84 . . . . 19330 1 5 no DBJ BAB47240 . "MAP kinase phosphatase-7 [Mus musculus]" . . . . . 100.00 660 96.97 98.48 7.39e-82 . . . . 19330 1 6 no DBJ BAB71060 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 665 100.00 100.00 1.66e-84 . . . . 19330 1 7 no DBJ BAC29138 . "unnamed protein product [Mus musculus]" . . . . . 100.00 206 96.97 98.48 6.40e-86 . . . . 19330 1 8 no GB AAH31643 . "Unknown (protein for IMAGE:5176724), partial [Homo sapiens]" . . . . . 67.42 616 100.00 100.00 1.16e-52 . . . . 19330 1 9 no GB AAH42101 . "DUSP16 protein [Homo sapiens]" . . . . . 100.00 662 100.00 100.00 1.31e-84 . . . . 19330 1 10 no GB AAH57321 . "Dual specificity phosphatase 16 [Mus musculus]" . . . . . 100.00 660 96.97 98.48 5.67e-82 . . . . 19330 1 11 no GB AAH59232 . "Dual specificity phosphatase 16 [Mus musculus]" . . . . . 100.00 660 96.97 98.48 5.67e-82 . . . . 19330 1 12 no GB AAI09235 . "Dual specificity phosphatase 16 [Homo sapiens]" . . . . . 100.00 665 100.00 100.00 1.60e-84 . . . . 19330 1 13 no REF NP_001041519 . "dual specificity protein phosphatase 16 isoform B1 [Mus musculus]" . . . . . 100.00 338 96.97 98.48 3.67e-84 . . . . 19330 1 14 no REF NP_001100094 . "dual specificity protein phosphatase 16 [Rattus norvegicus]" . . . . . 100.00 661 99.24 99.24 5.86e-84 . . . . 19330 1 15 no REF NP_085143 . "dual specificity protein phosphatase 16 [Homo sapiens]" . . . . . 100.00 665 100.00 100.00 1.44e-84 . . . . 19330 1 16 no REF NP_569714 . "dual specificity protein phosphatase 16 isoform A1 [Mus musculus]" . . . . . 100.00 660 96.97 98.48 5.67e-82 . . . . 19330 1 17 no REF XP_001084619 . "PREDICTED: dual specificity protein phosphatase 16 [Macaca mulatta]" . . . . . 100.00 665 100.00 100.00 1.49e-84 . . . . 19330 1 18 no SP Q9BY84 . "RecName: Full=Dual specificity protein phosphatase 16; AltName: Full=Mitogen-activated protein kinase phosphatase 7; Short=MAP " . . . . . 100.00 665 100.00 100.00 1.44e-84 . . . . 19330 1 19 no TPG DAA29345 . "TPA: dual specificity phosphatase 8-like [Bos taurus]" . . . . . 100.00 643 97.73 100.00 4.29e-84 . . . . 19330 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 7 GLY . 19330 1 2 8 THR . 19330 1 3 9 GLN . 19330 1 4 10 ILE . 19330 1 5 11 VAL . 19330 1 6 12 THR . 19330 1 7 13 GLU . 19330 1 8 14 ARG . 19330 1 9 15 LEU . 19330 1 10 16 VAL . 19330 1 11 17 ALA . 19330 1 12 18 LEU . 19330 1 13 19 LEU . 19330 1 14 20 GLU . 19330 1 15 21 SER . 19330 1 16 22 GLY . 19330 1 17 23 THR . 19330 1 18 24 GLU . 19330 1 19 25 LYS . 19330 1 20 26 VAL . 19330 1 21 27 LEU . 19330 1 22 28 LEU . 19330 1 23 29 ILE . 19330 1 24 30 ASP . 19330 1 25 31 SER . 19330 1 26 32 ARG . 19330 1 27 33 PRO . 19330 1 28 34 PHE . 19330 1 29 35 VAL . 19330 1 30 36 GLU . 19330 1 31 37 TYR . 19330 1 32 38 ASN . 19330 1 33 39 THR . 19330 1 34 40 SER . 19330 1 35 41 HIS . 19330 1 36 42 ILE . 19330 1 37 43 LEU . 19330 1 38 44 GLU . 19330 1 39 45 ALA . 19330 1 40 46 ILE . 19330 1 41 47 ASN . 19330 1 42 48 ILE . 19330 1 43 49 ASN . 19330 1 44 50 CYS . 19330 1 45 51 SER . 19330 1 46 52 LYS . 19330 1 47 53 LEU . 19330 1 48 54 MET . 19330 1 49 55 LYS . 19330 1 50 56 ARG . 19330 1 51 57 ARG . 19330 1 52 58 LEU . 19330 1 53 59 GLN . 19330 1 54 60 GLN . 19330 1 55 61 ASP . 19330 1 56 62 LYS . 19330 1 57 63 VAL . 19330 1 58 64 LEU . 19330 1 59 65 ILE . 19330 1 60 66 THR . 19330 1 61 67 GLU . 19330 1 62 68 LEU . 19330 1 63 69 ILE . 19330 1 64 70 GLN . 19330 1 65 71 HIS . 19330 1 66 72 SER . 19330 1 67 73 ALA . 19330 1 68 74 LYS . 19330 1 69 75 HIS . 19330 1 70 76 LYS . 19330 1 71 77 VAL . 19330 1 72 78 ASP . 19330 1 73 79 ILE . 19330 1 74 80 ASP . 19330 1 75 81 CYS . 19330 1 76 82 SER . 19330 1 77 83 GLN . 19330 1 78 84 LYS . 19330 1 79 85 VAL . 19330 1 80 86 VAL . 19330 1 81 87 VAL . 19330 1 82 88 TYR . 19330 1 83 89 ASP . 19330 1 84 90 GLN . 19330 1 85 91 SER . 19330 1 86 92 SER . 19330 1 87 93 GLN . 19330 1 88 94 ASP . 19330 1 89 95 VAL . 19330 1 90 96 ALA . 19330 1 91 97 SER . 19330 1 92 98 LEU . 19330 1 93 99 SER . 19330 1 94 100 SER . 19330 1 95 101 ASP . 19330 1 96 102 CYS . 19330 1 97 103 PHE . 19330 1 98 104 LEU . 19330 1 99 105 THR . 19330 1 100 106 VAL . 19330 1 101 107 LEU . 19330 1 102 108 LEU . 19330 1 103 109 GLY . 19330 1 104 110 LYS . 19330 1 105 111 LEU . 19330 1 106 112 GLU . 19330 1 107 113 LYS . 19330 1 108 114 SER . 19330 1 109 115 PHE . 19330 1 110 116 ASN . 19330 1 111 117 SER . 19330 1 112 118 VAL . 19330 1 113 119 HIS . 19330 1 114 120 LEU . 19330 1 115 121 LEU . 19330 1 116 122 ALA . 19330 1 117 123 GLY . 19330 1 118 124 GLY . 19330 1 119 125 PHE . 19330 1 120 126 ALA . 19330 1 121 127 GLU . 19330 1 122 128 PHE . 19330 1 123 129 SER . 19330 1 124 130 ARG . 19330 1 125 131 CYS . 19330 1 126 132 PHE . 19330 1 127 133 PRO . 19330 1 128 134 GLY . 19330 1 129 135 LEU . 19330 1 130 136 CYS . 19330 1 131 137 GLU . 19330 1 132 138 GLY . 19330 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19330 1 . THR 2 2 19330 1 . GLN 3 3 19330 1 . ILE 4 4 19330 1 . VAL 5 5 19330 1 . THR 6 6 19330 1 . GLU 7 7 19330 1 . ARG 8 8 19330 1 . LEU 9 9 19330 1 . VAL 10 10 19330 1 . ALA 11 11 19330 1 . LEU 12 12 19330 1 . LEU 13 13 19330 1 . GLU 14 14 19330 1 . SER 15 15 19330 1 . GLY 16 16 19330 1 . THR 17 17 19330 1 . GLU 18 18 19330 1 . LYS 19 19 19330 1 . VAL 20 20 19330 1 . LEU 21 21 19330 1 . LEU 22 22 19330 1 . ILE 23 23 19330 1 . ASP 24 24 19330 1 . SER 25 25 19330 1 . ARG 26 26 19330 1 . PRO 27 27 19330 1 . PHE 28 28 19330 1 . VAL 29 29 19330 1 . GLU 30 30 19330 1 . TYR 31 31 19330 1 . ASN 32 32 19330 1 . THR 33 33 19330 1 . SER 34 34 19330 1 . HIS 35 35 19330 1 . ILE 36 36 19330 1 . LEU 37 37 19330 1 . GLU 38 38 19330 1 . ALA 39 39 19330 1 . ILE 40 40 19330 1 . ASN 41 41 19330 1 . ILE 42 42 19330 1 . ASN 43 43 19330 1 . CYS 44 44 19330 1 . SER 45 45 19330 1 . LYS 46 46 19330 1 . LEU 47 47 19330 1 . MET 48 48 19330 1 . LYS 49 49 19330 1 . ARG 50 50 19330 1 . ARG 51 51 19330 1 . LEU 52 52 19330 1 . GLN 53 53 19330 1 . GLN 54 54 19330 1 . ASP 55 55 19330 1 . LYS 56 56 19330 1 . VAL 57 57 19330 1 . LEU 58 58 19330 1 . ILE 59 59 19330 1 . THR 60 60 19330 1 . GLU 61 61 19330 1 . LEU 62 62 19330 1 . ILE 63 63 19330 1 . GLN 64 64 19330 1 . HIS 65 65 19330 1 . SER 66 66 19330 1 . ALA 67 67 19330 1 . LYS 68 68 19330 1 . HIS 69 69 19330 1 . LYS 70 70 19330 1 . VAL 71 71 19330 1 . ASP 72 72 19330 1 . ILE 73 73 19330 1 . ASP 74 74 19330 1 . CYS 75 75 19330 1 . SER 76 76 19330 1 . GLN 77 77 19330 1 . LYS 78 78 19330 1 . VAL 79 79 19330 1 . VAL 80 80 19330 1 . VAL 81 81 19330 1 . TYR 82 82 19330 1 . ASP 83 83 19330 1 . GLN 84 84 19330 1 . SER 85 85 19330 1 . SER 86 86 19330 1 . GLN 87 87 19330 1 . ASP 88 88 19330 1 . VAL 89 89 19330 1 . ALA 90 90 19330 1 . SER 91 91 19330 1 . LEU 92 92 19330 1 . SER 93 93 19330 1 . SER 94 94 19330 1 . ASP 95 95 19330 1 . CYS 96 96 19330 1 . PHE 97 97 19330 1 . LEU 98 98 19330 1 . THR 99 99 19330 1 . VAL 100 100 19330 1 . LEU 101 101 19330 1 . LEU 102 102 19330 1 . GLY 103 103 19330 1 . LYS 104 104 19330 1 . LEU 105 105 19330 1 . GLU 106 106 19330 1 . LYS 107 107 19330 1 . SER 108 108 19330 1 . PHE 109 109 19330 1 . ASN 110 110 19330 1 . SER 111 111 19330 1 . VAL 112 112 19330 1 . HIS 113 113 19330 1 . LEU 114 114 19330 1 . LEU 115 115 19330 1 . ALA 116 116 19330 1 . GLY 117 117 19330 1 . GLY 118 118 19330 1 . PHE 119 119 19330 1 . ALA 120 120 19330 1 . GLU 121 121 19330 1 . PHE 122 122 19330 1 . SER 123 123 19330 1 . ARG 124 124 19330 1 . CYS 125 125 19330 1 . PHE 126 126 19330 1 . PRO 127 127 19330 1 . GLY 128 128 19330 1 . LEU 129 129 19330 1 . CYS 130 130 19330 1 . GLU 131 131 19330 1 . GLY 132 132 19330 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 19330 _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 $DUSP16 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19330 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 19330 _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 $DUSP16 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) RIL' . . . . . . . . . . . . . . . pet30a . . . . . . 19330 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19330 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DUSP16 '[U-99% 13C; U-99% 15N]' . . 1 $DUSP16 . . 0.5 . . mM . . . . 19330 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19330 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19330 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 19330 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19330 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19330 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19330 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 19330 1 pH 6.5 . pH 19330 1 pressure 1 . atm 19330 1 temperature 298 . K 19330 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19330 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19330 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19330 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19330 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19330 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19330 2 processing 19330 2 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 19330 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19330 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19330 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 19330 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19330 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19330 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19330 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19330 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19330 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19330 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 19330 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19330 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19330 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19330 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19330 1 2 '3D CBCA(CO)NH' . . . 19330 1 3 '3D C(CO)NH' . . . 19330 1 4 '3D HNCACB' . . . 19330 1 5 '3D HNCA' . . . 19330 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.71 0.020 . 1 . . . . 7 GLY H . 19330 1 2 . 1 1 1 1 GLY CA C 13 44.87 0.3 . 1 . . . . 7 GLY CA . 19330 1 3 . 1 1 1 1 GLY N N 15 113.22 0.3 . 1 . . . . 7 GLY N . 19330 1 4 . 1 1 2 2 THR H H 1 8.28 0.020 . 1 . . . . 8 THR H . 19330 1 5 . 1 1 2 2 THR CA C 13 62.03 0.3 . 1 . . . . 8 THR CA . 19330 1 6 . 1 1 2 2 THR CB C 13 69.92 0.3 . 1 . . . . 8 THR CB . 19330 1 7 . 1 1 2 2 THR CG2 C 13 21.78 0.3 . 1 . . . . 8 THR CG2 . 19330 1 8 . 1 1 2 2 THR N N 15 113.71 0.3 . 1 . . . . 8 THR N . 19330 1 9 . 1 1 3 3 GLN H H 1 8.55 0.020 . 1 . . . . 9 GLN H . 19330 1 10 . 1 1 3 3 GLN CA C 13 55.90 0.3 . 1 . . . . 9 GLN CA . 19330 1 11 . 1 1 3 3 GLN CB C 13 30.60 0.3 . 1 . . . . 9 GLN CB . 19330 1 12 . 1 1 3 3 GLN CG C 13 34.43 0.3 . 1 . . . . 9 GLN CG . 19330 1 13 . 1 1 3 3 GLN N N 15 121.83 0.3 . 1 . . . . 9 GLN N . 19330 1 14 . 1 1 4 4 ILE H H 1 8.67 0.020 . 1 . . . . 10 ILE H . 19330 1 15 . 1 1 4 4 ILE CA C 13 58.54 0.3 . 1 . . . . 10 ILE CA . 19330 1 16 . 1 1 4 4 ILE CB C 13 41.76 0.3 . 1 . . . . 10 ILE CB . 19330 1 17 . 1 1 4 4 ILE CG1 C 13 27.88 0.3 . 1 . . . . 10 ILE CG1 . 19330 1 18 . 1 1 4 4 ILE CD1 C 13 16.47 0.3 . 1 . . . . 10 ILE CD1 . 19330 1 19 . 1 1 4 4 ILE N N 15 120.82 0.3 . 1 . . . . 10 ILE N . 19330 1 20 . 1 1 5 5 VAL H H 1 7.87 0.020 . 1 . . . . 11 VAL H . 19330 1 21 . 1 1 5 5 VAL CA C 13 60.06 0.3 . 1 . . . . 11 VAL CA . 19330 1 22 . 1 1 5 5 VAL CB C 13 32.64 0.3 . 1 . . . . 11 VAL CB . 19330 1 23 . 1 1 5 5 VAL CG1 C 13 21.46 0.3 . 1 . . . . 11 VAL CG1 . 19330 1 24 . 1 1 5 5 VAL CG2 C 13 18.96 0.3 . 1 . . . . 11 VAL CG2 . 19330 1 25 . 1 1 5 5 VAL N N 15 119.04 0.3 . 1 . . . . 11 VAL N . 19330 1 26 . 1 1 6 6 THR H H 1 9.25 0.020 . 1 . . . . 12 THR H . 19330 1 27 . 1 1 6 6 THR CA C 13 68.29 0.3 . 1 . . . . 12 THR CA . 19330 1 28 . 1 1 6 6 THR CB C 13 69.64 0.3 . 1 . . . . 12 THR CB . 19330 1 29 . 1 1 6 6 THR CG2 C 13 23.03 0.3 . 1 . . . . 12 THR CG2 . 19330 1 30 . 1 1 6 6 THR N N 15 118.28 0.3 . 1 . . . . 12 THR N . 19330 1 31 . 1 1 7 7 GLU H H 1 9.16 0.020 . 1 . . . . 13 GLU H . 19330 1 32 . 1 1 7 7 GLU CA C 13 60.08 0.3 . 1 . . . . 13 GLU CA . 19330 1 33 . 1 1 7 7 GLU CB C 13 28.62 0.3 . 1 . . . . 13 GLU CB . 19330 1 34 . 1 1 7 7 GLU CG C 13 36.20 0.3 . 1 . . . . 13 GLU CG . 19330 1 35 . 1 1 7 7 GLU N N 15 118.33 0.3 . 1 . . . . 13 GLU N . 19330 1 36 . 1 1 8 8 ARG H H 1 7.12 0.020 . 1 . . . . 14 ARG H . 19330 1 37 . 1 1 8 8 ARG CA C 13 56.98 0.3 . 1 . . . . 14 ARG CA . 19330 1 38 . 1 1 8 8 ARG CB C 13 29.13 0.3 . 1 . . . . 14 ARG CB . 19330 1 39 . 1 1 8 8 ARG CG C 13 26.63 0.3 . 1 . . . . 14 ARG CG . 19330 1 40 . 1 1 8 8 ARG CD C 13 42.62 0.3 . 1 . . . . 14 ARG CD . 19330 1 41 . 1 1 8 8 ARG N N 15 119.81 0.3 . 1 . . . . 14 ARG N . 19330 1 42 . 1 1 9 9 LEU H H 1 7.78 0.020 . 1 . . . . 15 LEU H . 19330 1 43 . 1 1 9 9 LEU CA C 13 57.77 0.3 . 1 . . . . 15 LEU CA . 19330 1 44 . 1 1 9 9 LEU CB C 13 40.46 0.3 . 1 . . . . 15 LEU CB . 19330 1 45 . 1 1 9 9 LEU CG C 13 27.42 0.3 . 1 . . . . 15 LEU CG . 19330 1 46 . 1 1 9 9 LEU CD1 C 13 22.96 0.3 . 1 . . . . 15 LEU CD1 . 19330 1 47 . 1 1 9 9 LEU N N 15 121.17 0.3 . 1 . . . . 15 LEU N . 19330 1 48 . 1 1 10 10 VAL H H 1 7.92 0.020 . 1 . . . . 16 VAL H . 19330 1 49 . 1 1 10 10 VAL CA C 13 67.72 0.3 . 1 . . . . 16 VAL CA . 19330 1 50 . 1 1 10 10 VAL CB C 13 30.83 0.3 . 1 . . . . 16 VAL CB . 19330 1 51 . 1 1 10 10 VAL CG1 C 13 22.44 0.3 . 1 . . . . 16 VAL CG1 . 19330 1 52 . 1 1 10 10 VAL CG2 C 13 20.28 0.3 . 1 . . . . 16 VAL CG2 . 19330 1 53 . 1 1 10 10 VAL N N 15 118.52 0.3 . 1 . . . . 16 VAL N . 19330 1 54 . 1 1 11 11 ALA H H 1 7.08 0.020 . 1 . . . . 17 ALA H . 19330 1 55 . 1 1 11 11 ALA CA C 13 54.82 0.3 . 1 . . . . 17 ALA CA . 19330 1 56 . 1 1 11 11 ALA CB C 13 17.68 0.3 . 1 . . . . 17 ALA CB . 19330 1 57 . 1 1 11 11 ALA N N 15 119.88 0.3 . 1 . . . . 17 ALA N . 19330 1 58 . 1 1 12 12 LEU H H 1 7.69 0.020 . 1 . . . . 18 LEU H . 19330 1 59 . 1 1 12 12 LEU CA C 13 57.64 0.3 . 1 . . . . 18 LEU CA . 19330 1 60 . 1 1 12 12 LEU CB C 13 42.10 0.3 . 1 . . . . 18 LEU CB . 19330 1 61 . 1 1 12 12 LEU CD1 C 13 25.26 0.3 . 1 . . . . 18 LEU CD1 . 19330 1 62 . 1 1 12 12 LEU CD2 C 13 23.03 0.3 . 1 . . . . 18 LEU CD2 . 19330 1 63 . 1 1 12 12 LEU N N 15 118.83 0.3 . 1 . . . . 18 LEU N . 19330 1 64 . 1 1 13 13 LEU H H 1 8.36 0.020 . 1 . . . . 19 LEU H . 19330 1 65 . 1 1 13 13 LEU CA C 13 57.41 0.3 . 1 . . . . 19 LEU CA . 19330 1 66 . 1 1 13 13 LEU CB C 13 41.36 0.3 . 1 . . . . 19 LEU CB . 19330 1 67 . 1 1 13 13 LEU CG C 13 26.44 0.3 . 1 . . . . 19 LEU CG . 19330 1 68 . 1 1 13 13 LEU CD1 C 13 25.32 0.3 . 1 . . . . 19 LEU CD1 . 19330 1 69 . 1 1 13 13 LEU CD2 C 13 21.59 0.3 . 1 . . . . 19 LEU CD2 . 19330 1 70 . 1 1 13 13 LEU N N 15 120.31 0.3 . 1 . . . . 19 LEU N . 19330 1 71 . 1 1 14 14 GLU H H 1 8.30 0.020 . 1 . . . . 20 GLU H . 19330 1 72 . 1 1 14 14 GLU CA C 13 57.75 0.3 . 1 . . . . 20 GLU CA . 19330 1 73 . 1 1 14 14 GLU CB C 13 29.86 0.3 . 1 . . . . 20 GLU CB . 19330 1 74 . 1 1 14 14 GLU CG C 13 36.59 0.3 . 1 . . . . 20 GLU CG . 19330 1 75 . 1 1 14 14 GLU N N 15 117.00 0.3 . 1 . . . . 20 GLU N . 19330 1 76 . 1 1 15 15 SER H H 1 7.56 0.020 . 1 . . . . 21 SER H . 19330 1 77 . 1 1 15 15 SER CA C 13 59.70 0.3 . 1 . . . . 21 SER CA . 19330 1 78 . 1 1 15 15 SER CB C 13 63.40 0.3 . 1 . . . . 21 SER CB . 19330 1 79 . 1 1 15 15 SER N N 15 113.75 0.3 . 1 . . . . 21 SER N . 19330 1 80 . 1 1 16 16 GLY H H 1 7.96 0.020 . 1 . . . . 22 GLY H . 19330 1 81 . 1 1 16 16 GLY CA C 13 46.02 0.3 . 1 . . . . 22 GLY CA . 19330 1 82 . 1 1 16 16 GLY N N 15 110.37 0.3 . 1 . . . . 22 GLY N . 19330 1 83 . 1 1 17 17 THR H H 1 7.94 0.020 . 1 . . . . 23 THR H . 19330 1 84 . 1 1 17 17 THR CA C 13 62.44 0.3 . 1 . . . . 23 THR CA . 19330 1 85 . 1 1 17 17 THR CB C 13 69.13 0.3 . 1 . . . . 23 THR CB . 19330 1 86 . 1 1 17 17 THR CG2 C 13 21.78 0.3 . 1 . . . . 23 THR CG2 . 19330 1 87 . 1 1 17 17 THR N N 15 111.10 0.3 . 1 . . . . 23 THR N . 19330 1 88 . 1 1 18 18 GLU H H 1 7.92 0.020 . 1 . . . . 24 GLU H . 19330 1 89 . 1 1 18 18 GLU CA C 13 55.41 0.3 . 1 . . . . 24 GLU CA . 19330 1 90 . 1 1 18 18 GLU CB C 13 31.05 0.3 . 1 . . . . 24 GLU CB . 19330 1 91 . 1 1 18 18 GLU CG C 13 35.61 0.3 . 1 . . . . 24 GLU CG . 19330 1 92 . 1 1 18 18 GLU N N 15 121.23 0.3 . 1 . . . . 24 GLU N . 19330 1 93 . 1 1 19 19 LYS H H 1 8.48 0.020 . 1 . . . . 25 LYS H . 19330 1 94 . 1 1 19 19 LYS CA C 13 55.57 0.3 . 1 . . . . 25 LYS CA . 19330 1 95 . 1 1 19 19 LYS CB C 13 32.75 0.3 . 1 . . . . 25 LYS CB . 19330 1 96 . 1 1 19 19 LYS CG C 13 24.54 0.3 . 1 . . . . 25 LYS CG . 19330 1 97 . 1 1 19 19 LYS CD C 13 28.73 0.3 . 1 . . . . 25 LYS CD . 19330 1 98 . 1 1 19 19 LYS CE C 13 41.90 0.3 . 1 . . . . 25 LYS CE . 19330 1 99 . 1 1 19 19 LYS N N 15 123.48 0.3 . 1 . . . . 25 LYS N . 19330 1 100 . 1 1 20 20 VAL H H 1 8.23 0.020 . 1 . . . . 26 VAL H . 19330 1 101 . 1 1 20 20 VAL CA C 13 60.08 0.3 . 1 . . . . 26 VAL CA . 19330 1 102 . 1 1 20 20 VAL CB C 13 34.39 0.3 . 1 . . . . 26 VAL CB . 19330 1 103 . 1 1 20 20 VAL CG1 C 13 21.13 0.3 . 1 . . . . 26 VAL CG1 . 19330 1 104 . 1 1 20 20 VAL CG2 C 13 21.46 0.3 . 1 . . . . 26 VAL CG2 . 19330 1 105 . 1 1 20 20 VAL N N 15 122.69 0.3 . 1 . . . . 26 VAL N . 19330 1 106 . 1 1 21 21 LEU H H 1 8.69 0.020 . 1 . . . . 27 LEU H . 19330 1 107 . 1 1 21 21 LEU CA C 13 53.67 0.3 . 1 . . . . 27 LEU CA . 19330 1 108 . 1 1 21 21 LEU CB C 13 43.01 0.3 . 1 . . . . 27 LEU CB . 19330 1 109 . 1 1 21 21 LEU CG C 13 27.16 0.3 . 1 . . . . 27 LEU CG . 19330 1 110 . 1 1 21 21 LEU CD1 C 13 25.58 0.3 . 1 . . . . 27 LEU CD1 . 19330 1 111 . 1 1 21 21 LEU CD2 C 13 24.08 0.3 . 1 . . . . 27 LEU CD2 . 19330 1 112 . 1 1 21 21 LEU N N 15 130.25 0.3 . 1 . . . . 27 LEU N . 19330 1 113 . 1 1 22 22 LEU H H 1 8.88 0.020 . 1 . . . . 28 LEU H . 19330 1 114 . 1 1 22 22 LEU CA C 13 53.26 0.3 . 1 . . . . 28 LEU CA . 19330 1 115 . 1 1 22 22 LEU CB C 13 44.82 0.3 . 1 . . . . 28 LEU CB . 19330 1 116 . 1 1 22 22 LEU CG C 13 26.11 0.3 . 1 . . . . 28 LEU CG . 19330 1 117 . 1 1 22 22 LEU N N 15 129.11 0.3 . 1 . . . . 28 LEU N . 19330 1 118 . 1 1 23 23 ILE H H 1 9.19 0.020 . 1 . . . . 29 ILE H . 19330 1 119 . 1 1 23 23 ILE CA C 13 58.46 0.3 . 1 . . . . 29 ILE CA . 19330 1 120 . 1 1 23 23 ILE CB C 13 39.83 0.3 . 1 . . . . 29 ILE CB . 19330 1 121 . 1 1 23 23 ILE CG1 C 13 27.68 0.3 . 1 . . . . 29 ILE CG1 . 19330 1 122 . 1 1 23 23 ILE CG2 C 13 16.93 0.3 . 1 . . . . 29 ILE CG2 . 19330 1 123 . 1 1 23 23 ILE CD1 C 13 12.35 0.3 . 1 . . . . 29 ILE CD1 . 19330 1 124 . 1 1 23 23 ILE N N 15 124.80 0.3 . 1 . . . . 29 ILE N . 19330 1 125 . 1 1 24 24 ASP H H 1 8.66 0.020 . 1 . . . . 30 ASP H . 19330 1 126 . 1 1 24 24 ASP CA C 13 51.49 0.3 . 1 . . . . 30 ASP CA . 19330 1 127 . 1 1 24 24 ASP CB C 13 42.78 0.3 . 1 . . . . 30 ASP CB . 19330 1 128 . 1 1 24 24 ASP N N 15 126.78 0.3 . 1 . . . . 30 ASP N . 19330 1 129 . 1 1 25 25 SER H H 1 8.37 0.020 . 1 . . . . 31 SER H . 19330 1 130 . 1 1 25 25 SER CA C 13 58.36 0.3 . 1 . . . . 31 SER CA . 19330 1 131 . 1 1 25 25 SER CB C 13 65.22 0.3 . 1 . . . . 31 SER CB . 19330 1 132 . 1 1 25 25 SER N N 15 123.14 0.3 . 1 . . . . 31 SER N . 19330 1 133 . 1 1 26 26 ARG H H 1 7.84 0.020 . 1 . . . . 32 ARG H . 19330 1 134 . 1 1 26 26 ARG CA C 13 55.26 0.3 . 1 . . . . 32 ARG CA . 19330 1 135 . 1 1 26 26 ARG CB C 13 28.28 0.3 . 1 . . . . 32 ARG CB . 19330 1 136 . 1 1 26 26 ARG N N 15 121.57 0.3 . 1 . . . . 32 ARG N . 19330 1 137 . 1 1 27 27 PRO CA C 13 63.21 0.3 . 1 . . . . 33 PRO CA . 19330 1 138 . 1 1 27 27 PRO CB C 13 32.75 0.3 . 1 . . . . 33 PRO CB . 19330 1 139 . 1 1 27 27 PRO CG C 13 28.34 0.3 . 1 . . . . 33 PRO CG . 19330 1 140 . 1 1 27 27 PRO CD C 13 50.03 0.3 . 1 . . . . 33 PRO CD . 19330 1 141 . 1 1 28 28 PHE H H 1 8.53 0.020 . 1 . . . . 34 PHE H . 19330 1 142 . 1 1 28 28 PHE CA C 13 61.21 0.3 . 1 . . . . 34 PHE CA . 19330 1 143 . 1 1 28 28 PHE CB C 13 38.70 0.3 . 1 . . . . 34 PHE CB . 19330 1 144 . 1 1 28 28 PHE N N 15 125.07 0.3 . 1 . . . . 34 PHE N . 19330 1 145 . 1 1 29 29 VAL H H 1 8.28 0.020 . 1 . . . . 35 VAL H . 19330 1 146 . 1 1 29 29 VAL CA C 13 65.36 0.3 . 1 . . . . 35 VAL CA . 19330 1 147 . 1 1 29 29 VAL CB C 13 31.00 0.3 . 1 . . . . 35 VAL CB . 19330 1 148 . 1 1 29 29 VAL CG1 C 13 21.26 0.3 . 1 . . . . 35 VAL CG1 . 19330 1 149 . 1 1 29 29 VAL CG2 C 13 20.87 0.3 . 1 . . . . 35 VAL CG2 . 19330 1 150 . 1 1 29 29 VAL N N 15 115.68 0.3 . 1 . . . . 35 VAL N . 19330 1 151 . 1 1 30 30 GLU H H 1 7.11 0.020 . 1 . . . . 36 GLU H . 19330 1 152 . 1 1 30 30 GLU CA C 13 58.75 0.3 . 1 . . . . 36 GLU CA . 19330 1 153 . 1 1 30 30 GLU CB C 13 28.79 0.3 . 1 . . . . 36 GLU CB . 19330 1 154 . 1 1 30 30 GLU CG C 13 36.72 0.3 . 1 . . . . 36 GLU CG . 19330 1 155 . 1 1 30 30 GLU N N 15 120.93 0.3 . 1 . . . . 36 GLU N . 19330 1 156 . 1 1 31 31 TYR H H 1 7.50 0.020 . 1 . . . . 37 TYR H . 19330 1 157 . 1 1 31 31 TYR CA C 13 60.90 0.3 . 1 . . . . 37 TYR CA . 19330 1 158 . 1 1 31 31 TYR CB C 13 37.62 0.3 . 1 . . . . 37 TYR CB . 19330 1 159 . 1 1 31 31 TYR N N 15 121.50 0.3 . 1 . . . . 37 TYR N . 19330 1 160 . 1 1 32 32 ASN H H 1 9.02 0.020 . 1 . . . . 38 ASN H . 19330 1 161 . 1 1 32 32 ASN CA C 13 54.72 0.3 . 1 . . . . 38 ASN CA . 19330 1 162 . 1 1 32 32 ASN CB C 13 38.19 0.3 . 1 . . . . 38 ASN CB . 19330 1 163 . 1 1 32 32 ASN N N 15 118.30 0.3 . 1 . . . . 38 ASN N . 19330 1 164 . 1 1 33 33 THR H H 1 7.14 0.020 . 1 . . . . 39 THR H . 19330 1 165 . 1 1 33 33 THR CA C 13 66.62 0.3 . 1 . . . . 39 THR CA . 19330 1 166 . 1 1 33 33 THR CB C 13 68.67 0.3 . 1 . . . . 39 THR CB . 19330 1 167 . 1 1 33 33 THR CG2 C 13 21.13 0.3 . 1 . . . . 39 THR CG2 . 19330 1 168 . 1 1 33 33 THR N N 15 115.40 0.3 . 1 . . . . 39 THR N . 19330 1 169 . 1 1 34 34 SER H H 1 7.04 0.020 . 1 . . . . 40 SER H . 19330 1 170 . 1 1 34 34 SER CA C 13 58.13 0.3 . 1 . . . . 40 SER CA . 19330 1 171 . 1 1 34 34 SER CB C 13 63.01 0.3 . 1 . . . . 40 SER CB . 19330 1 172 . 1 1 34 34 SER N N 15 111.36 0.3 . 1 . . . . 40 SER N . 19330 1 173 . 1 1 35 35 HIS H H 1 8.21 0.020 . 1 . . . . 41 HIS H . 19330 1 174 . 1 1 35 35 HIS CA C 13 54.44 0.3 . 1 . . . . 41 HIS CA . 19330 1 175 . 1 1 35 35 HIS CB C 13 31.05 0.3 . 1 . . . . 41 HIS CB . 19330 1 176 . 1 1 35 35 HIS N N 15 116.34 0.3 . 1 . . . . 41 HIS N . 19330 1 177 . 1 1 36 36 ILE H H 1 7.99 0.020 . 1 . . . . 42 ILE H . 19330 1 178 . 1 1 36 36 ILE CA C 13 64.01 0.3 . 1 . . . . 42 ILE CA . 19330 1 179 . 1 1 36 36 ILE CB C 13 37.40 0.3 . 1 . . . . 42 ILE CB . 19330 1 180 . 1 1 36 36 ILE CD1 C 13 16.61 0.3 . 1 . . . . 42 ILE CD1 . 19330 1 181 . 1 1 36 36 ILE N N 15 122.06 0.3 . 1 . . . . 42 ILE N . 19330 1 182 . 1 1 37 37 LEU H H 1 8.24 0.020 . 1 . . . . 43 LEU H . 19330 1 183 . 1 1 37 37 LEU CA C 13 57.64 0.3 . 1 . . . . 43 LEU CA . 19330 1 184 . 1 1 37 37 LEU CB C 13 42.33 0.3 . 1 . . . . 43 LEU CB . 19330 1 185 . 1 1 37 37 LEU CD1 C 13 24.99 0.3 . 1 . . . . 43 LEU CD1 . 19330 1 186 . 1 1 37 37 LEU CD2 C 13 24.34 0.3 . 1 . . . . 43 LEU CD2 . 19330 1 187 . 1 1 37 37 LEU N N 15 128.78 0.3 . 1 . . . . 43 LEU N . 19330 1 188 . 1 1 38 38 GLU H H 1 8.42 0.020 . 1 . . . . 44 GLU H . 19330 1 189 . 1 1 38 38 GLU CA C 13 57.87 0.3 . 1 . . . . 44 GLU CA . 19330 1 190 . 1 1 38 38 GLU CB C 13 27.20 0.3 . 1 . . . . 44 GLU CB . 19330 1 191 . 1 1 38 38 GLU CG C 13 36.66 0.3 . 1 . . . . 44 GLU CG . 19330 1 192 . 1 1 38 38 GLU N N 15 111.26 0.3 . 1 . . . . 44 GLU N . 19330 1 193 . 1 1 39 39 ALA H H 1 8.55 0.020 . 1 . . . . 45 ALA H . 19330 1 194 . 1 1 39 39 ALA CA C 13 52.67 0.3 . 1 . . . . 45 ALA CA . 19330 1 195 . 1 1 39 39 ALA CB C 13 21.48 0.3 . 1 . . . . 45 ALA CB . 19330 1 196 . 1 1 39 39 ALA N N 15 122.48 0.3 . 1 . . . . 45 ALA N . 19330 1 197 . 1 1 40 40 ILE H H 1 9.04 0.020 . 1 . . . . 46 ILE H . 19330 1 198 . 1 1 40 40 ILE CA C 13 59.67 0.3 . 1 . . . . 46 ILE CA . 19330 1 199 . 1 1 40 40 ILE CB C 13 40.06 0.3 . 1 . . . . 46 ILE CB . 19330 1 200 . 1 1 40 40 ILE CG1 C 13 27.22 0.3 . 1 . . . . 46 ILE CG1 . 19330 1 201 . 1 1 40 40 ILE CG2 C 13 17.26 0.3 . 1 . . . . 46 ILE CG2 . 19330 1 202 . 1 1 40 40 ILE CD1 C 13 14.57 0.3 . 1 . . . . 46 ILE CD1 . 19330 1 203 . 1 1 40 40 ILE N N 15 123.95 0.3 . 1 . . . . 46 ILE N . 19330 1 204 . 1 1 41 41 ASN H H 1 8.72 0.020 . 1 . . . . 47 ASN H . 19330 1 205 . 1 1 41 41 ASN CA C 13 51.69 0.3 . 1 . . . . 47 ASN CA . 19330 1 206 . 1 1 41 41 ASN CB C 13 39.66 0.3 . 1 . . . . 47 ASN CB . 19330 1 207 . 1 1 41 41 ASN N N 15 126.23 0.3 . 1 . . . . 47 ASN N . 19330 1 208 . 1 1 42 42 ILE H H 1 7.52 0.020 . 1 . . . . 48 ILE H . 19330 1 209 . 1 1 42 42 ILE CA C 13 59.82 0.3 . 1 . . . . 48 ILE CA . 19330 1 210 . 1 1 42 42 ILE CB C 13 36.77 0.3 . 1 . . . . 48 ILE CB . 19330 1 211 . 1 1 42 42 ILE CD1 C 13 16.80 0.3 . 1 . . . . 48 ILE CD1 . 19330 1 212 . 1 1 42 42 ILE N N 15 126.82 0.3 . 1 . . . . 48 ILE N . 19330 1 213 . 1 1 43 43 ASN H H 1 7.74 0.020 . 1 . . . . 49 ASN H . 19330 1 214 . 1 1 43 43 ASN CA C 13 53.26 0.3 . 1 . . . . 49 ASN CA . 19330 1 215 . 1 1 43 43 ASN CB C 13 39.61 0.3 . 1 . . . . 49 ASN CB . 19330 1 216 . 1 1 43 43 ASN N N 15 119.91 0.3 . 1 . . . . 49 ASN N . 19330 1 217 . 1 1 49 49 LYS H H 1 8.44 0.020 . 1 . . . . 55 LYS H . 19330 1 218 . 1 1 49 49 LYS CA C 13 60.75 0.3 . 1 . . . . 55 LYS CA . 19330 1 219 . 1 1 49 49 LYS CB C 13 32.35 0.3 . 1 . . . . 55 LYS CB . 19330 1 220 . 1 1 49 49 LYS CG C 13 25.85 0.3 . 1 . . . . 55 LYS CG . 19330 1 221 . 1 1 49 49 LYS CD C 13 29.39 0.3 . 1 . . . . 55 LYS CD . 19330 1 222 . 1 1 49 49 LYS CE C 13 41.90 0.3 . 1 . . . . 55 LYS CE . 19330 1 223 . 1 1 49 49 LYS N N 15 119.71 0.3 . 1 . . . . 55 LYS N . 19330 1 224 . 1 1 50 50 ARG H H 1 7.69 0.020 . 1 . . . . 56 ARG H . 19330 1 225 . 1 1 50 50 ARG CA C 13 58.82 0.3 . 1 . . . . 56 ARG CA . 19330 1 226 . 1 1 50 50 ARG CB C 13 29.64 0.3 . 1 . . . . 56 ARG CB . 19330 1 227 . 1 1 50 50 ARG CG C 13 27.16 0.3 . 1 . . . . 56 ARG CG . 19330 1 228 . 1 1 50 50 ARG CD C 13 43.41 0.3 . 1 . . . . 56 ARG CD . 19330 1 229 . 1 1 50 50 ARG N N 15 117.74 0.3 . 1 . . . . 56 ARG N . 19330 1 230 . 1 1 51 51 ARG H H 1 8.11 0.020 . 1 . . . . 57 ARG H . 19330 1 231 . 1 1 51 51 ARG CA C 13 59.75 0.3 . 1 . . . . 57 ARG CA . 19330 1 232 . 1 1 51 51 ARG CB C 13 29.98 0.3 . 1 . . . . 57 ARG CB . 19330 1 233 . 1 1 51 51 ARG CG C 13 27.48 0.3 . 1 . . . . 57 ARG CG . 19330 1 234 . 1 1 51 51 ARG N N 15 119.05 0.3 . 1 . . . . 57 ARG N . 19330 1 235 . 1 1 52 52 LEU H H 1 8.20 0.020 . 1 . . . . 58 LEU H . 19330 1 236 . 1 1 52 52 LEU CA C 13 57.23 0.3 . 1 . . . . 58 LEU CA . 19330 1 237 . 1 1 52 52 LEU CB C 13 42.10 0.3 . 1 . . . . 58 LEU CB . 19330 1 238 . 1 1 52 52 LEU CG C 13 27.48 0.3 . 1 . . . . 58 LEU CG . 19330 1 239 . 1 1 52 52 LEU CD1 C 13 26.17 0.3 . 1 . . . . 58 LEU CD1 . 19330 1 240 . 1 1 52 52 LEU N N 15 118.41 0.3 . 1 . . . . 58 LEU N . 19330 1 241 . 1 1 53 53 GLN H H 1 8.22 0.020 . 1 . . . . 59 GLN H . 19330 1 242 . 1 1 53 53 GLN CA C 13 58.52 0.3 . 1 . . . . 59 GLN CA . 19330 1 243 . 1 1 53 53 GLN CB C 13 29.24 0.3 . 1 . . . . 59 GLN CB . 19330 1 244 . 1 1 53 53 GLN CG C 13 34.89 0.3 . 1 . . . . 59 GLN CG . 19330 1 245 . 1 1 53 53 GLN N N 15 118.19 0.3 . 1 . . . . 59 GLN N . 19330 1 246 . 1 1 54 54 GLN H H 1 7.80 0.020 . 1 . . . . 60 GLN H . 19330 1 247 . 1 1 54 54 GLN CA C 13 55.44 0.3 . 1 . . . . 60 GLN CA . 19330 1 248 . 1 1 54 54 GLN CB C 13 28.96 0.3 . 1 . . . . 60 GLN CB . 19330 1 249 . 1 1 54 54 GLN CG C 13 33.91 0.3 . 1 . . . . 60 GLN CG . 19330 1 250 . 1 1 54 54 GLN N N 15 116.20 0.3 . 1 . . . . 60 GLN N . 19330 1 251 . 1 1 55 55 ASP H H 1 8.16 0.020 . 1 . . . . 61 ASP H . 19330 1 252 . 1 1 55 55 ASP CA C 13 56.03 0.3 . 1 . . . . 61 ASP CA . 19330 1 253 . 1 1 55 55 ASP CB C 13 39.10 0.3 . 1 . . . . 61 ASP CB . 19330 1 254 . 1 1 55 55 ASP N N 15 118.71 0.3 . 1 . . . . 61 ASP N . 19330 1 255 . 1 1 56 56 LYS H H 1 8.41 0.020 . 1 . . . . 62 LYS H . 19330 1 256 . 1 1 56 56 LYS CA C 13 56.34 0.3 . 1 . . . . 62 LYS CA . 19330 1 257 . 1 1 56 56 LYS CB C 13 32.35 0.3 . 1 . . . . 62 LYS CB . 19330 1 258 . 1 1 56 56 LYS CG C 13 24.99 0.3 . 1 . . . . 62 LYS CG . 19330 1 259 . 1 1 56 56 LYS CD C 13 28.53 0.3 . 1 . . . . 62 LYS CD . 19330 1 260 . 1 1 56 56 LYS CE C 13 42.10 0.3 . 1 . . . . 62 LYS CE . 19330 1 261 . 1 1 56 56 LYS N N 15 115.74 0.3 . 1 . . . . 62 LYS N . 19330 1 262 . 1 1 57 57 VAL H H 1 7.24 0.020 . 1 . . . . 63 VAL H . 19330 1 263 . 1 1 57 57 VAL CA C 13 60.26 0.3 . 1 . . . . 63 VAL CA . 19330 1 264 . 1 1 57 57 VAL CB C 13 33.94 0.3 . 1 . . . . 63 VAL CB . 19330 1 265 . 1 1 57 57 VAL CG1 C 13 21.13 0.3 . 1 . . . . 63 VAL CG1 . 19330 1 266 . 1 1 57 57 VAL CG2 C 13 20.73 0.3 . 1 . . . . 63 VAL CG2 . 19330 1 267 . 1 1 57 57 VAL N N 15 117.59 0.3 . 1 . . . . 63 VAL N . 19330 1 268 . 1 1 58 58 LEU H H 1 8.59 0.020 . 1 . . . . 64 LEU H . 19330 1 269 . 1 1 58 58 LEU CA C 13 53.46 0.3 . 1 . . . . 64 LEU CA . 19330 1 270 . 1 1 58 58 LEU CB C 13 42.55 0.3 . 1 . . . . 64 LEU CB . 19330 1 271 . 1 1 58 58 LEU N N 15 127.12 0.3 . 1 . . . . 64 LEU N . 19330 1 272 . 1 1 59 59 ILE H H 1 9.61 0.020 . 1 . . . . 65 ILE H . 19330 1 273 . 1 1 59 59 ILE CA C 13 60.77 0.3 . 1 . . . . 65 ILE CA . 19330 1 274 . 1 1 59 59 ILE CB C 13 37.62 0.3 . 1 . . . . 65 ILE CB . 19330 1 275 . 1 1 59 59 ILE CG1 C 13 29.84 0.3 . 1 . . . . 65 ILE CG1 . 19330 1 276 . 1 1 59 59 ILE CG2 C 13 19.55 0.3 . 1 . . . . 65 ILE CG2 . 19330 1 277 . 1 1 59 59 ILE CD1 C 13 14.44 0.3 . 1 . . . . 65 ILE CD1 . 19330 1 278 . 1 1 59 59 ILE N N 15 125.21 0.3 . 1 . . . . 65 ILE N . 19330 1 279 . 1 1 60 60 THR H H 1 7.45 0.020 . 1 . . . . 66 THR H . 19330 1 280 . 1 1 60 60 THR CA C 13 65.19 0.3 . 1 . . . . 66 THR CA . 19330 1 281 . 1 1 60 60 THR CB C 13 66.63 0.3 . 1 . . . . 66 THR CB . 19330 1 282 . 1 1 60 60 THR CG2 C 13 23.09 0.3 . 1 . . . . 66 THR CG2 . 19330 1 283 . 1 1 60 60 THR N N 15 111.13 0.3 . 1 . . . . 66 THR N . 19330 1 284 . 1 1 61 61 GLU H H 1 6.69 0.020 . 1 . . . . 67 GLU H . 19330 1 285 . 1 1 61 61 GLU CA C 13 58.52 0.3 . 1 . . . . 67 GLU CA . 19330 1 286 . 1 1 61 61 GLU CB C 13 29.13 0.3 . 1 . . . . 67 GLU CB . 19330 1 287 . 1 1 61 61 GLU CG C 13 36.66 0.3 . 1 . . . . 67 GLU CG . 19330 1 288 . 1 1 61 61 GLU N N 15 121.79 0.3 . 1 . . . . 67 GLU N . 19330 1 289 . 1 1 62 62 LEU H H 1 7.63 0.020 . 1 . . . . 68 LEU H . 19330 1 290 . 1 1 62 62 LEU CA C 13 57.62 0.3 . 1 . . . . 68 LEU CA . 19330 1 291 . 1 1 62 62 LEU CB C 13 41.53 0.3 . 1 . . . . 68 LEU CB . 19330 1 292 . 1 1 62 62 LEU CG C 13 26.76 0.3 . 1 . . . . 68 LEU CG . 19330 1 293 . 1 1 62 62 LEU CD1 C 13 25.06 0.3 . 1 . . . . 68 LEU CD1 . 19330 1 294 . 1 1 62 62 LEU CD2 C 13 24.54 0.3 . 1 . . . . 68 LEU CD2 . 19330 1 295 . 1 1 62 62 LEU N N 15 119.84 0.3 . 1 . . . . 68 LEU N . 19330 1 296 . 1 1 63 63 ILE H H 1 8.06 0.020 . 1 . . . . 69 ILE H . 19330 1 297 . 1 1 63 63 ILE CA C 13 65.70 0.3 . 1 . . . . 69 ILE CA . 19330 1 298 . 1 1 63 63 ILE CB C 13 38.02 0.3 . 1 . . . . 69 ILE CB . 19330 1 299 . 1 1 63 63 ILE CG1 C 13 29.58 0.3 . 1 . . . . 69 ILE CG1 . 19330 1 300 . 1 1 63 63 ILE CG2 C 13 17.72 0.3 . 1 . . . . 69 ILE CG2 . 19330 1 301 . 1 1 63 63 ILE CD1 C 13 14.64 0.3 . 1 . . . . 69 ILE CD1 . 19330 1 302 . 1 1 63 63 ILE N N 15 119.67 0.3 . 1 . . . . 69 ILE N . 19330 1 303 . 1 1 64 64 GLN H H 1 7.50 0.020 . 1 . . . . 70 GLN H . 19330 1 304 . 1 1 64 64 GLN CA C 13 58.75 0.3 . 1 . . . . 70 GLN CA . 19330 1 305 . 1 1 64 64 GLN CB C 13 28.67 0.3 . 1 . . . . 70 GLN CB . 19330 1 306 . 1 1 64 64 GLN CG C 13 34.30 0.3 . 1 . . . . 70 GLN CG . 19330 1 307 . 1 1 64 64 GLN N N 15 117.08 0.3 . 1 . . . . 70 GLN N . 19330 1 308 . 1 1 65 65 HIS H H 1 8.18 0.020 . 1 . . . . 71 HIS H . 19330 1 309 . 1 1 65 65 HIS CA C 13 57.95 0.3 . 1 . . . . 71 HIS CA . 19330 1 310 . 1 1 65 65 HIS CB C 13 30.15 0.3 . 1 . . . . 71 HIS CB . 19330 1 311 . 1 1 65 65 HIS N N 15 116.45 0.3 . 1 . . . . 71 HIS N . 19330 1 312 . 1 1 66 66 SER H H 1 7.68 0.020 . 1 . . . . 72 SER H . 19330 1 313 . 1 1 66 66 SER CA C 13 59.70 0.3 . 1 . . . . 72 SER CA . 19330 1 314 . 1 1 66 66 SER CB C 13 63.63 0.3 . 1 . . . . 72 SER CB . 19330 1 315 . 1 1 66 66 SER N N 15 114.02 0.3 . 1 . . . . 72 SER N . 19330 1 316 . 1 1 67 67 ALA H H 1 7.60 0.020 . 1 . . . . 73 ALA H . 19330 1 317 . 1 1 67 67 ALA CA C 13 52.08 0.3 . 1 . . . . 73 ALA CA . 19330 1 318 . 1 1 67 67 ALA CB C 13 19.83 0.3 . 1 . . . . 73 ALA CB . 19330 1 319 . 1 1 67 67 ALA N N 15 123.95 0.3 . 1 . . . . 73 ALA N . 19330 1 320 . 1 1 68 68 LYS H H 1 8.38 0.020 . 1 . . . . 74 LYS H . 19330 1 321 . 1 1 68 68 LYS CA C 13 56.98 0.3 . 1 . . . . 74 LYS CA . 19330 1 322 . 1 1 68 68 LYS CB C 13 31.45 0.3 . 1 . . . . 74 LYS CB . 19330 1 323 . 1 1 68 68 LYS CG C 13 24.73 0.3 . 1 . . . . 74 LYS CG . 19330 1 324 . 1 1 68 68 LYS CD C 13 28.73 0.3 . 1 . . . . 74 LYS CD . 19330 1 325 . 1 1 68 68 LYS CE C 13 42.03 0.3 . 1 . . . . 74 LYS CE . 19330 1 326 . 1 1 68 68 LYS N N 15 118.65 0.3 . 1 . . . . 74 LYS N . 19330 1 327 . 1 1 69 69 HIS H H 1 7.59 0.020 . 1 . . . . 75 HIS H . 19330 1 328 . 1 1 69 69 HIS CA C 13 54.15 0.3 . 1 . . . . 75 HIS CA . 19330 1 329 . 1 1 69 69 HIS CB C 13 30.83 0.3 . 1 . . . . 75 HIS CB . 19330 1 330 . 1 1 69 69 HIS N N 15 115.27 0.3 . 1 . . . . 75 HIS N . 19330 1 331 . 1 1 70 70 LYS H H 1 8.29 0.020 . 1 . . . . 76 LYS H . 19330 1 332 . 1 1 70 70 LYS CA C 13 56.90 0.3 . 1 . . . . 76 LYS CA . 19330 1 333 . 1 1 70 70 LYS CB C 13 31.73 0.3 . 1 . . . . 76 LYS CB . 19330 1 334 . 1 1 70 70 LYS CG C 13 24.47 0.3 . 1 . . . . 76 LYS CG . 19330 1 335 . 1 1 70 70 LYS CD C 13 28.86 0.3 . 1 . . . . 76 LYS CD . 19330 1 336 . 1 1 70 70 LYS CE C 13 41.97 0.3 . 1 . . . . 76 LYS CE . 19330 1 337 . 1 1 70 70 LYS N N 15 121.10 0.3 . 1 . . . . 76 LYS N . 19330 1 338 . 1 1 71 71 VAL H H 1 8.24 0.020 . 1 . . . . 77 VAL H . 19330 1 339 . 1 1 71 71 VAL CA C 13 60.34 0.3 . 1 . . . . 77 VAL CA . 19330 1 340 . 1 1 71 71 VAL CB C 13 34.17 0.3 . 1 . . . . 77 VAL CB . 19330 1 341 . 1 1 71 71 VAL CG1 C 13 21.19 0.3 . 1 . . . . 77 VAL CG1 . 19330 1 342 . 1 1 71 71 VAL CG2 C 13 20.54 0.3 . 1 . . . . 77 VAL CG2 . 19330 1 343 . 1 1 71 71 VAL N N 15 123.70 0.3 . 1 . . . . 77 VAL N . 19330 1 344 . 1 1 72 72 ASP H H 1 8.47 0.020 . 1 . . . . 78 ASP H . 19330 1 345 . 1 1 72 72 ASP CA C 13 53.64 0.3 . 1 . . . . 78 ASP CA . 19330 1 346 . 1 1 72 72 ASP CB C 13 41.02 0.3 . 1 . . . . 78 ASP CB . 19330 1 347 . 1 1 72 72 ASP N N 15 125.99 0.3 . 1 . . . . 78 ASP N . 19330 1 348 . 1 1 73 73 ILE H H 1 8.21 0.020 . 1 . . . . 79 ILE H . 19330 1 349 . 1 1 73 73 ILE CA C 13 59.80 0.3 . 1 . . . . 79 ILE CA . 19330 1 350 . 1 1 73 73 ILE CB C 13 37.68 0.3 . 1 . . . . 79 ILE CB . 19330 1 351 . 1 1 73 73 ILE CG1 C 13 26.96 0.3 . 1 . . . . 79 ILE CG1 . 19330 1 352 . 1 1 73 73 ILE CG2 C 13 18.18 0.3 . 1 . . . . 79 ILE CG2 . 19330 1 353 . 1 1 73 73 ILE CD1 C 13 13.07 0.3 . 1 . . . . 79 ILE CD1 . 19330 1 354 . 1 1 73 73 ILE N N 15 120.95 0.3 . 1 . . . . 79 ILE N . 19330 1 355 . 1 1 74 74 ASP H H 1 8.21 0.020 . 1 . . . . 80 ASP H . 19330 1 356 . 1 1 74 74 ASP CA C 13 53.82 0.3 . 1 . . . . 80 ASP CA . 19330 1 357 . 1 1 74 74 ASP CB C 13 43.01 0.3 . 1 . . . . 80 ASP CB . 19330 1 358 . 1 1 74 74 ASP N N 15 124.26 0.3 . 1 . . . . 80 ASP N . 19330 1 359 . 1 1 75 75 CYS H H 1 8.47 0.020 . 1 . . . . 81 CYS H . 19330 1 360 . 1 1 75 75 CYS CA C 13 60.03 0.3 . 1 . . . . 81 CYS CA . 19330 1 361 . 1 1 75 75 CYS CB C 13 27.20 0.3 . 1 . . . . 81 CYS CB . 19330 1 362 . 1 1 75 75 CYS N N 15 120.65 0.3 . 1 . . . . 81 CYS N . 19330 1 363 . 1 1 76 76 SER H H 1 8.74 0.020 . 1 . . . . 82 SER H . 19330 1 364 . 1 1 76 76 SER CA C 13 59.03 0.3 . 1 . . . . 82 SER CA . 19330 1 365 . 1 1 76 76 SER CB C 13 63.63 0.3 . 1 . . . . 82 SER CB . 19330 1 366 . 1 1 76 76 SER N N 15 118.73 0.3 . 1 . . . . 82 SER N . 19330 1 367 . 1 1 77 77 GLN H H 1 7.77 0.020 . 1 . . . . 83 GLN H . 19330 1 368 . 1 1 77 77 GLN CA C 13 56.00 0.3 . 1 . . . . 83 GLN CA . 19330 1 369 . 1 1 77 77 GLN CB C 13 30.09 0.3 . 1 . . . . 83 GLN CB . 19330 1 370 . 1 1 77 77 GLN CG C 13 34.30 0.3 . 1 . . . . 83 GLN CG . 19330 1 371 . 1 1 77 77 GLN N N 15 123.28 0.3 . 1 . . . . 83 GLN N . 19330 1 372 . 1 1 78 78 LYS H H 1 8.41 0.020 . 1 . . . . 84 LYS H . 19330 1 373 . 1 1 78 78 LYS CA C 13 56.36 0.3 . 1 . . . . 84 LYS CA . 19330 1 374 . 1 1 78 78 LYS CB C 13 33.09 0.3 . 1 . . . . 84 LYS CB . 19330 1 375 . 1 1 78 78 LYS CG C 13 24.80 0.3 . 1 . . . . 84 LYS CG . 19330 1 376 . 1 1 78 78 LYS CD C 13 28.99 0.3 . 1 . . . . 84 LYS CD . 19330 1 377 . 1 1 78 78 LYS CE C 13 40.85 0.3 . 1 . . . . 84 LYS CE . 19330 1 378 . 1 1 78 78 LYS N N 15 123.58 0.3 . 1 . . . . 84 LYS N . 19330 1 379 . 1 1 79 79 VAL H H 1 8.31 0.020 . 1 . . . . 85 VAL H . 19330 1 380 . 1 1 79 79 VAL CA C 13 60.67 0.3 . 1 . . . . 85 VAL CA . 19330 1 381 . 1 1 79 79 VAL CB C 13 32.92 0.3 . 1 . . . . 85 VAL CB . 19330 1 382 . 1 1 79 79 VAL CG1 C 13 21.78 0.3 . 1 . . . . 85 VAL CG1 . 19330 1 383 . 1 1 79 79 VAL CG2 C 13 22.11 0.3 . 1 . . . . 85 VAL CG2 . 19330 1 384 . 1 1 79 79 VAL N N 15 124.87 0.3 . 1 . . . . 85 VAL N . 19330 1 385 . 1 1 80 80 VAL H H 1 9.00 0.020 . 1 . . . . 86 VAL H . 19330 1 386 . 1 1 80 80 VAL CA C 13 60.47 0.3 . 1 . . . . 86 VAL CA . 19330 1 387 . 1 1 80 80 VAL CB C 13 33.37 0.3 . 1 . . . . 86 VAL CB . 19330 1 388 . 1 1 80 80 VAL CG1 C 13 21.46 0.3 . 1 . . . . 86 VAL CG1 . 19330 1 389 . 1 1 80 80 VAL CG2 C 13 21.00 0.3 . 1 . . . . 86 VAL CG2 . 19330 1 390 . 1 1 80 80 VAL N N 15 128.53 0.3 . 1 . . . . 86 VAL N . 19330 1 391 . 1 1 81 81 VAL H H 1 8.92 0.020 . 1 . . . . 87 VAL H . 19330 1 392 . 1 1 81 81 VAL CA C 13 58.80 0.3 . 1 . . . . 87 VAL CA . 19330 1 393 . 1 1 81 81 VAL CB C 13 33.83 0.3 . 1 . . . . 87 VAL CB . 19330 1 394 . 1 1 81 81 VAL CG1 C 13 22.83 0.3 . 1 . . . . 87 VAL CG1 . 19330 1 395 . 1 1 81 81 VAL CG2 C 13 22.24 0.3 . 1 . . . . 87 VAL CG2 . 19330 1 396 . 1 1 81 81 VAL N N 15 127.28 0.3 . 1 . . . . 87 VAL N . 19330 1 397 . 1 1 82 82 TYR H H 1 8.84 0.020 . 1 . . . . 88 TYR H . 19330 1 398 . 1 1 82 82 TYR CA C 13 54.82 0.3 . 1 . . . . 88 TYR CA . 19330 1 399 . 1 1 82 82 TYR CB C 13 44.03 0.3 . 1 . . . . 88 TYR CB . 19330 1 400 . 1 1 82 82 TYR N N 15 120.10 0.3 . 1 . . . . 88 TYR N . 19330 1 401 . 1 1 83 83 ASP H H 1 8.91 0.020 . 1 . . . . 89 ASP H . 19330 1 402 . 1 1 83 83 ASP CA C 13 51.31 0.3 . 1 . . . . 89 ASP CA . 19330 1 403 . 1 1 83 83 ASP CB C 13 41.19 0.3 . 1 . . . . 89 ASP CB . 19330 1 404 . 1 1 83 83 ASP N N 15 126.86 0.3 . 1 . . . . 89 ASP N . 19330 1 405 . 1 1 84 84 GLN H H 1 8.78 0.020 . 1 . . . . 90 GLN H . 19330 1 406 . 1 1 84 84 GLN CA C 13 60.67 0.3 . 1 . . . . 90 GLN CA . 19330 1 407 . 1 1 84 84 GLN CB C 13 27.37 0.3 . 1 . . . . 90 GLN CB . 19330 1 408 . 1 1 84 84 GLN CG C 13 32.14 0.3 . 1 . . . . 90 GLN CG . 19330 1 409 . 1 1 84 84 GLN N N 15 119.26 0.3 . 1 . . . . 90 GLN N . 19330 1 410 . 1 1 85 85 SER H H 1 8.28 0.020 . 1 . . . . 91 SER H . 19330 1 411 . 1 1 85 85 SER CA C 13 58.23 0.3 . 1 . . . . 91 SER CA . 19330 1 412 . 1 1 85 85 SER CB C 13 65.10 0.3 . 1 . . . . 91 SER CB . 19330 1 413 . 1 1 85 85 SER N N 15 108.42 0.3 . 1 . . . . 91 SER N . 19330 1 414 . 1 1 86 86 SER H H 1 9.92 0.020 . 1 . . . . 92 SER H . 19330 1 415 . 1 1 86 86 SER CA C 13 62.83 0.3 . 1 . . . . 92 SER CA . 19330 1 416 . 1 1 86 86 SER CB C 13 61.53 0.3 . 1 . . . . 92 SER CB . 19330 1 417 . 1 1 86 86 SER N N 15 123.22 0.3 . 1 . . . . 92 SER N . 19330 1 418 . 1 1 87 87 GLN H H 1 8.76 0.020 . 1 . . . . 93 GLN H . 19330 1 419 . 1 1 87 87 GLN CA C 13 57.23 0.3 . 1 . . . . 93 GLN CA . 19330 1 420 . 1 1 87 87 GLN CB C 13 30.26 0.3 . 1 . . . . 93 GLN CB . 19330 1 421 . 1 1 87 87 GLN CG C 13 33.38 0.3 . 1 . . . . 93 GLN CG . 19330 1 422 . 1 1 87 87 GLN N N 15 120.06 0.3 . 1 . . . . 93 GLN N . 19330 1 423 . 1 1 88 88 ASP H H 1 7.39 0.020 . 1 . . . . 94 ASP H . 19330 1 424 . 1 1 88 88 ASP CA C 13 52.56 0.3 . 1 . . . . 94 ASP CA . 19330 1 425 . 1 1 88 88 ASP CB C 13 42.33 0.3 . 1 . . . . 94 ASP CB . 19330 1 426 . 1 1 88 88 ASP N N 15 112.89 0.3 . 1 . . . . 94 ASP N . 19330 1 427 . 1 1 89 89 VAL H H 1 8.25 0.020 . 1 . . . . 95 VAL H . 19330 1 428 . 1 1 89 89 VAL CA C 13 64.16 0.3 . 1 . . . . 95 VAL CA . 19330 1 429 . 1 1 89 89 VAL CB C 13 31.79 0.3 . 1 . . . . 95 VAL CB . 19330 1 430 . 1 1 89 89 VAL CG1 C 13 22.44 0.3 . 1 . . . . 95 VAL CG1 . 19330 1 431 . 1 1 89 89 VAL CG2 C 13 21.91 0.3 . 1 . . . . 95 VAL CG2 . 19330 1 432 . 1 1 89 89 VAL N N 15 118.93 0.3 . 1 . . . . 95 VAL N . 19330 1 433 . 1 1 90 90 ALA H H 1 8.27 0.020 . 1 . . . . 96 ALA H . 19330 1 434 . 1 1 90 90 ALA CA C 13 54.13 0.3 . 1 . . . . 96 ALA CA . 19330 1 435 . 1 1 90 90 ALA CB C 13 18.08 0.3 . 1 . . . . 96 ALA CB . 19330 1 436 . 1 1 90 90 ALA N N 15 123.72 0.3 . 1 . . . . 96 ALA N . 19330 1 437 . 1 1 91 91 SER H H 1 7.69 0.020 . 1 . . . . 97 SER H . 19330 1 438 . 1 1 91 91 SER CA C 13 58.72 0.3 . 1 . . . . 97 SER CA . 19330 1 439 . 1 1 91 91 SER CB C 13 63.46 0.3 . 1 . . . . 97 SER CB . 19330 1 440 . 1 1 91 91 SER N N 15 110.94 0.3 . 1 . . . . 97 SER N . 19330 1 441 . 1 1 92 92 LEU H H 1 7.28 0.020 . 1 . . . . 98 LEU H . 19330 1 442 . 1 1 92 92 LEU CA C 13 54.26 0.3 . 1 . . . . 98 LEU CA . 19330 1 443 . 1 1 92 92 LEU CB C 13 41.93 0.3 . 1 . . . . 98 LEU CB . 19330 1 444 . 1 1 92 92 LEU CG C 13 26.24 0.3 . 1 . . . . 98 LEU CG . 19330 1 445 . 1 1 92 92 LEU CD1 C 13 22.63 0.3 . 1 . . . . 98 LEU CD1 . 19330 1 446 . 1 1 92 92 LEU N N 15 122.21 0.3 . 1 . . . . 98 LEU N . 19330 1 447 . 1 1 93 93 SER H H 1 8.65 0.020 . 1 . . . . 99 SER H . 19330 1 448 . 1 1 93 93 SER CA C 13 57.85 0.3 . 1 . . . . 99 SER CA . 19330 1 449 . 1 1 93 93 SER CB C 13 63.86 0.3 . 1 . . . . 99 SER CB . 19330 1 450 . 1 1 93 93 SER N N 15 118.63 0.3 . 1 . . . . 99 SER N . 19330 1 451 . 1 1 95 95 ASP H H 1 8.08 0.020 . 1 . . . . 101 ASP H . 19330 1 452 . 1 1 95 95 ASP CA C 13 52.87 0.3 . 1 . . . . 101 ASP CA . 19330 1 453 . 1 1 95 95 ASP CB C 13 41.25 0.3 . 1 . . . . 101 ASP CB . 19330 1 454 . 1 1 95 95 ASP N N 15 117.50 0.3 . 1 . . . . 101 ASP N . 19330 1 455 . 1 1 96 96 CYS H H 1 7.04 0.020 . 1 . . . . 102 CYS H . 19330 1 456 . 1 1 96 96 CYS CA C 13 56.80 0.3 . 1 . . . . 102 CYS CA . 19330 1 457 . 1 1 96 96 CYS CB C 13 29.18 0.3 . 1 . . . . 102 CYS CB . 19330 1 458 . 1 1 96 96 CYS N N 15 115.90 0.3 . 1 . . . . 102 CYS N . 19330 1 459 . 1 1 98 98 LEU H H 1 8.80 0.020 . 1 . . . . 104 LEU H . 19330 1 460 . 1 1 98 98 LEU CA C 13 58.23 0.3 . 1 . . . . 104 LEU CA . 19330 1 461 . 1 1 98 98 LEU CB C 13 41.59 0.3 . 1 . . . . 104 LEU CB . 19330 1 462 . 1 1 98 98 LEU CG C 13 26.04 0.3 . 1 . . . . 104 LEU CG . 19330 1 463 . 1 1 98 98 LEU CD1 C 13 24.40 0.3 . 1 . . . . 104 LEU CD1 . 19330 1 464 . 1 1 98 98 LEU CD2 C 13 23.81 0.3 . 1 . . . . 104 LEU CD2 . 19330 1 465 . 1 1 98 98 LEU N N 15 118.39 0.3 . 1 . . . . 104 LEU N . 19330 1 466 . 1 1 99 99 THR H H 1 7.59 0.020 . 1 . . . . 105 THR H . 19330 1 467 . 1 1 99 99 THR CA C 13 66.54 0.3 . 1 . . . . 105 THR CA . 19330 1 468 . 1 1 99 99 THR CB C 13 67.99 0.3 . 1 . . . . 105 THR CB . 19330 1 469 . 1 1 99 99 THR CG2 C 13 23.55 0.3 . 1 . . . . 105 THR CG2 . 19330 1 470 . 1 1 99 99 THR N N 15 116.79 0.3 . 1 . . . . 105 THR N . 19330 1 471 . 1 1 100 100 VAL H H 1 7.51 0.020 . 1 . . . . 106 VAL H . 19330 1 472 . 1 1 100 100 VAL CA C 13 65.80 0.3 . 1 . . . . 106 VAL CA . 19330 1 473 . 1 1 100 100 VAL CB C 13 31.22 0.3 . 1 . . . . 106 VAL CB . 19330 1 474 . 1 1 100 100 VAL CG1 C 13 22.11 0.3 . 1 . . . . 106 VAL CG1 . 19330 1 475 . 1 1 100 100 VAL CG2 C 13 21.65 0.3 . 1 . . . . 106 VAL CG2 . 19330 1 476 . 1 1 100 100 VAL N N 15 123.48 0.3 . 1 . . . . 106 VAL N . 19330 1 477 . 1 1 101 101 LEU H H 1 8.42 0.020 . 1 . . . . 107 LEU H . 19330 1 478 . 1 1 101 101 LEU CA C 13 58.31 0.3 . 1 . . . . 107 LEU CA . 19330 1 479 . 1 1 101 101 LEU CB C 13 41.14 0.3 . 1 . . . . 107 LEU CB . 19330 1 480 . 1 1 101 101 LEU CG C 13 26.96 0.3 . 1 . . . . 107 LEU CG . 19330 1 481 . 1 1 101 101 LEU CD1 C 13 23.75 0.3 . 1 . . . . 107 LEU CD1 . 19330 1 482 . 1 1 101 101 LEU N N 15 121.23 0.3 . 1 . . . . 107 LEU N . 19330 1 483 . 1 1 102 102 LEU H H 1 8.78 0.020 . 1 . . . . 108 LEU H . 19330 1 484 . 1 1 102 102 LEU CA C 13 58.54 0.3 . 1 . . . . 108 LEU CA . 19330 1 485 . 1 1 102 102 LEU CB C 13 41.25 0.3 . 1 . . . . 108 LEU CB . 19330 1 486 . 1 1 102 102 LEU CG C 13 26.41 0.3 . 1 . . . . 108 LEU CG . 19330 1 487 . 1 1 102 102 LEU CD1 C 13 22.86 0.3 . 1 . . . . 108 LEU CD1 . 19330 1 488 . 1 1 102 102 LEU N N 15 118.78 0.3 . 1 . . . . 108 LEU N . 19330 1 489 . 1 1 103 103 GLY H H 1 7.80 0.020 . 1 . . . . 109 GLY H . 19330 1 490 . 1 1 103 103 GLY CA C 13 46.92 0.3 . 1 . . . . 109 GLY CA . 19330 1 491 . 1 1 103 103 GLY N N 15 104.40 0.3 . 1 . . . . 109 GLY N . 19330 1 492 . 1 1 104 104 LYS H H 1 7.71 0.020 . 1 . . . . 110 LYS H . 19330 1 493 . 1 1 104 104 LYS CA C 13 56.77 0.3 . 1 . . . . 110 LYS CA . 19330 1 494 . 1 1 104 104 LYS CB C 13 31.11 0.3 . 1 . . . . 110 LYS CB . 19330 1 495 . 1 1 104 104 LYS CG C 13 24.40 0.3 . 1 . . . . 110 LYS CG . 19330 1 496 . 1 1 104 104 LYS CD C 13 27.42 0.3 . 1 . . . . 110 LYS CD . 19330 1 497 . 1 1 104 104 LYS N N 15 118.98 0.3 . 1 . . . . 110 LYS N . 19330 1 498 . 1 1 105 105 LEU H H 1 8.64 0.020 . 1 . . . . 111 LEU H . 19330 1 499 . 1 1 105 105 LEU CA C 13 58.34 0.3 . 1 . . . . 111 LEU CA . 19330 1 500 . 1 1 105 105 LEU CB C 13 42.55 0.3 . 1 . . . . 111 LEU CB . 19330 1 501 . 1 1 105 105 LEU CG C 13 27.55 0.3 . 1 . . . . 111 LEU CG . 19330 1 502 . 1 1 105 105 LEU CD1 C 13 19.88 0.3 . 1 . . . . 111 LEU CD1 . 19330 1 503 . 1 1 105 105 LEU N N 15 121.24 0.3 . 1 . . . . 111 LEU N . 19330 1 504 . 1 1 106 106 GLU H H 1 8.39 0.020 . 1 . . . . 112 GLU H . 19330 1 505 . 1 1 106 106 GLU CA C 13 58.54 0.3 . 1 . . . . 112 GLU CA . 19330 1 506 . 1 1 106 106 GLU CB C 13 29.18 0.3 . 1 . . . . 112 GLU CB . 19330 1 507 . 1 1 106 106 GLU CG C 13 36.20 0.3 . 1 . . . . 112 GLU CG . 19330 1 508 . 1 1 106 106 GLU N N 15 117.96 0.3 . 1 . . . . 112 GLU N . 19330 1 509 . 1 1 107 107 LYS H H 1 6.92 0.020 . 1 . . . . 113 LYS H . 19330 1 510 . 1 1 107 107 LYS CA C 13 56.77 0.3 . 1 . . . . 113 LYS CA . 19330 1 511 . 1 1 107 107 LYS CB C 13 32.58 0.3 . 1 . . . . 113 LYS CB . 19330 1 512 . 1 1 107 107 LYS CG C 13 24.86 0.3 . 1 . . . . 113 LYS CG . 19330 1 513 . 1 1 107 107 LYS CD C 13 28.60 0.3 . 1 . . . . 113 LYS CD . 19330 1 514 . 1 1 107 107 LYS CE C 13 42.16 0.3 . 1 . . . . 113 LYS CE . 19330 1 515 . 1 1 107 107 LYS N N 15 114.71 0.3 . 1 . . . . 113 LYS N . 19330 1 516 . 1 1 108 108 SER H H 1 7.32 0.020 . 1 . . . . 114 SER H . 19330 1 517 . 1 1 108 108 SER CA C 13 60.08 0.3 . 1 . . . . 114 SER CA . 19330 1 518 . 1 1 108 108 SER CB C 13 66.07 0.3 . 1 . . . . 114 SER CB . 19330 1 519 . 1 1 108 108 SER N N 15 113.38 0.3 . 1 . . . . 114 SER N . 19330 1 520 . 1 1 109 109 PHE H H 1 7.88 0.020 . 1 . . . . 115 PHE H . 19330 1 521 . 1 1 109 109 PHE CA C 13 56.98 0.3 . 1 . . . . 115 PHE CA . 19330 1 522 . 1 1 109 109 PHE CB C 13 41.53 0.3 . 1 . . . . 115 PHE CB . 19330 1 523 . 1 1 109 109 PHE N N 15 118.75 0.3 . 1 . . . . 115 PHE N . 19330 1 524 . 1 1 110 110 ASN H H 1 8.17 0.020 . 1 . . . . 116 ASN H . 19330 1 525 . 1 1 110 110 ASN CA C 13 55.41 0.3 . 1 . . . . 116 ASN CA . 19330 1 526 . 1 1 110 110 ASN CB C 13 38.98 0.3 . 1 . . . . 116 ASN CB . 19330 1 527 . 1 1 110 110 ASN N N 15 118.25 0.3 . 1 . . . . 116 ASN N . 19330 1 528 . 1 1 111 111 SER H H 1 8.50 0.020 . 1 . . . . 117 SER H . 19330 1 529 . 1 1 111 111 SER CA C 13 57.54 0.3 . 1 . . . . 117 SER CA . 19330 1 530 . 1 1 111 111 SER CB C 13 63.91 0.3 . 1 . . . . 117 SER CB . 19330 1 531 . 1 1 111 111 SER N N 15 115.18 0.3 . 1 . . . . 117 SER N . 19330 1 532 . 1 1 112 112 VAL H H 1 7.96 0.020 . 1 . . . . 118 VAL H . 19330 1 533 . 1 1 112 112 VAL CA C 13 60.68 0.3 . 1 . . . . 118 VAL CA . 19330 1 534 . 1 1 112 112 VAL CB C 13 34.34 0.3 . 1 . . . . 118 VAL CB . 19330 1 535 . 1 1 112 112 VAL CG1 C 13 22.31 0.3 . 1 . . . . 118 VAL CG1 . 19330 1 536 . 1 1 112 112 VAL CG2 C 13 21.91 0.3 . 1 . . . . 118 VAL CG2 . 19330 1 537 . 1 1 112 112 VAL N N 15 125.12 0.3 . 1 . . . . 118 VAL N . 19330 1 538 . 1 1 113 113 HIS H H 1 8.75 0.020 . 1 . . . . 119 HIS H . 19330 1 539 . 1 1 113 113 HIS CA C 13 54.05 0.3 . 1 . . . . 119 HIS CA . 19330 1 540 . 1 1 113 113 HIS CB C 13 33.71 0.3 . 1 . . . . 119 HIS CB . 19330 1 541 . 1 1 113 113 HIS N N 15 123.98 0.3 . 1 . . . . 119 HIS N . 19330 1 542 . 1 1 114 114 LEU H H 1 8.64 0.020 . 1 . . . . 120 LEU H . 19330 1 543 . 1 1 114 114 LEU CA C 13 53.26 0.3 . 1 . . . . 120 LEU CA . 19330 1 544 . 1 1 114 114 LEU CB C 13 44.88 0.3 . 1 . . . . 120 LEU CB . 19330 1 545 . 1 1 114 114 LEU CG C 13 26.83 0.3 . 1 . . . . 120 LEU CG . 19330 1 546 . 1 1 114 114 LEU CD1 C 13 25.45 0.3 . 1 . . . . 120 LEU CD1 . 19330 1 547 . 1 1 114 114 LEU N N 15 124.35 0.3 . 1 . . . . 120 LEU N . 19330 1 548 . 1 1 115 115 LEU H H 1 8.52 0.020 . 1 . . . . 121 LEU H . 19330 1 549 . 1 1 115 115 LEU CA C 13 54.03 0.3 . 1 . . . . 121 LEU CA . 19330 1 550 . 1 1 115 115 LEU CB C 13 42.89 0.3 . 1 . . . . 121 LEU CB . 19330 1 551 . 1 1 115 115 LEU CG C 13 26.57 0.3 . 1 . . . . 121 LEU CG . 19330 1 552 . 1 1 115 115 LEU CD1 C 13 25.91 0.3 . 1 . . . . 121 LEU CD1 . 19330 1 553 . 1 1 115 115 LEU CD2 C 13 23.68 0.3 . 1 . . . . 121 LEU CD2 . 19330 1 554 . 1 1 115 115 LEU N N 15 127.92 0.3 . 1 . . . . 121 LEU N . 19330 1 555 . 1 1 116 116 ALA H H 1 9.03 0.020 . 1 . . . . 122 ALA H . 19330 1 556 . 1 1 116 116 ALA CA C 13 54.00 0.3 . 1 . . . . 122 ALA CA . 19330 1 557 . 1 1 116 116 ALA CB C 13 18.13 0.3 . 1 . . . . 122 ALA CB . 19330 1 558 . 1 1 116 116 ALA N N 15 137.05 0.3 . 1 . . . . 122 ALA N . 19330 1 559 . 1 1 117 117 GLY H H 1 8.92 0.020 . 1 . . . . 123 GLY H . 19330 1 560 . 1 1 117 117 GLY CA C 13 45.00 0.3 . 1 . . . . 123 GLY CA . 19330 1 561 . 1 1 117 117 GLY N N 15 116.04 0.3 . 1 . . . . 123 GLY N . 19330 1 562 . 1 1 118 118 GLY H H 1 7.70 0.020 . 1 . . . . 124 GLY H . 19330 1 563 . 1 1 118 118 GLY CA C 13 46.05 0.3 . 1 . . . . 124 GLY CA . 19330 1 564 . 1 1 118 118 GLY N N 15 105.21 0.3 . 1 . . . . 124 GLY N . 19330 1 565 . 1 1 119 119 PHE H H 1 9.42 0.020 . 1 . . . . 125 PHE H . 19330 1 566 . 1 1 119 119 PHE CA C 13 61.62 0.3 . 1 . . . . 125 PHE CA . 19330 1 567 . 1 1 119 119 PHE CB C 13 39.44 0.3 . 1 . . . . 125 PHE CB . 19330 1 568 . 1 1 119 119 PHE N N 15 120.70 0.3 . 1 . . . . 125 PHE N . 19330 1 569 . 1 1 120 120 ALA H H 1 9.82 0.020 . 1 . . . . 126 ALA H . 19330 1 570 . 1 1 120 120 ALA CA C 13 55.72 0.3 . 1 . . . . 126 ALA CA . 19330 1 571 . 1 1 120 120 ALA CB C 13 18.19 0.3 . 1 . . . . 126 ALA CB . 19330 1 572 . 1 1 120 120 ALA N N 15 122.62 0.3 . 1 . . . . 126 ALA N . 19330 1 573 . 1 1 121 121 GLU H H 1 6.87 0.020 . 1 . . . . 127 GLU H . 19330 1 574 . 1 1 121 121 GLU CA C 13 57.77 0.3 . 1 . . . . 127 GLU CA . 19330 1 575 . 1 1 121 121 GLU CB C 13 29.47 0.3 . 1 . . . . 127 GLU CB . 19330 1 576 . 1 1 121 121 GLU CG C 13 35.15 0.3 . 1 . . . . 127 GLU CG . 19330 1 577 . 1 1 121 121 GLU N N 15 116.47 0.3 . 1 . . . . 127 GLU N . 19330 1 578 . 1 1 122 122 PHE H H 1 7.86 0.020 . 1 . . . . 128 PHE H . 19330 1 579 . 1 1 122 122 PHE CA C 13 62.93 0.3 . 1 . . . . 128 PHE CA . 19330 1 580 . 1 1 122 122 PHE CB C 13 40.00 0.3 . 1 . . . . 128 PHE CB . 19330 1 581 . 1 1 122 122 PHE N N 15 120.04 0.3 . 1 . . . . 128 PHE N . 19330 1 582 . 1 1 123 123 SER H H 1 8.49 0.020 . 1 . . . . 129 SER H . 19330 1 583 . 1 1 123 123 SER CA C 13 60.29 0.3 . 1 . . . . 129 SER CA . 19330 1 584 . 1 1 123 123 SER CB C 13 62.67 0.3 . 1 . . . . 129 SER CB . 19330 1 585 . 1 1 123 123 SER N N 15 111.59 0.3 . 1 . . . . 129 SER N . 19330 1 586 . 1 1 124 124 ARG H H 1 6.64 0.020 . 1 . . . . 130 ARG H . 19330 1 587 . 1 1 124 124 ARG CA C 13 58.28 0.3 . 1 . . . . 130 ARG CA . 19330 1 588 . 1 1 124 124 ARG CB C 13 30.43 0.3 . 1 . . . . 130 ARG CB . 19330 1 589 . 1 1 124 124 ARG CG C 13 27.09 0.3 . 1 . . . . 130 ARG CG . 19330 1 590 . 1 1 124 124 ARG CD C 13 43.08 0.3 . 1 . . . . 130 ARG CD . 19330 1 591 . 1 1 124 124 ARG N N 15 120.93 0.3 . 1 . . . . 130 ARG N . 19330 1 592 . 1 1 125 125 CYS H H 1 7.00 0.020 . 1 . . . . 131 CYS H . 19330 1 593 . 1 1 125 125 CYS CA C 13 61.49 0.3 . 1 . . . . 131 CYS CA . 19330 1 594 . 1 1 125 125 CYS CB C 13 29.18 0.3 . 1 . . . . 131 CYS CB . 19330 1 595 . 1 1 125 125 CYS N N 15 115.60 0.3 . 1 . . . . 131 CYS N . 19330 1 596 . 1 1 126 126 PHE H H 1 8.19 0.020 . 1 . . . . 132 PHE H . 19330 1 597 . 1 1 126 126 PHE CA C 13 55.98 0.3 . 1 . . . . 132 PHE CA . 19330 1 598 . 1 1 126 126 PHE CB C 13 38.81 0.3 . 1 . . . . 132 PHE CB . 19330 1 599 . 1 1 126 126 PHE N N 15 116.66 0.3 . 1 . . . . 132 PHE N . 19330 1 600 . 1 1 127 127 PRO CA C 13 65.13 0.3 . 1 . . . . 133 PRO CA . 19330 1 601 . 1 1 127 127 PRO CB C 13 30.71 0.3 . 1 . . . . 133 PRO CB . 19330 1 602 . 1 1 127 127 PRO CG C 13 26.89 0.3 . 1 . . . . 133 PRO CG . 19330 1 603 . 1 1 127 127 PRO CD C 13 49.24 0.3 . 1 . . . . 133 PRO CD . 19330 1 604 . 1 1 128 128 GLY H H 1 8.63 0.020 . 1 . . . . 134 GLY H . 19330 1 605 . 1 1 128 128 GLY CA C 13 45.61 0.3 . 1 . . . . 134 GLY CA . 19330 1 606 . 1 1 128 128 GLY N N 15 105.85 0.3 . 1 . . . . 134 GLY N . 19330 1 607 . 1 1 129 129 LEU H H 1 7.58 0.020 . 1 . . . . 135 LEU H . 19330 1 608 . 1 1 129 129 LEU CA C 13 53.92 0.3 . 1 . . . . 135 LEU CA . 19330 1 609 . 1 1 129 129 LEU CB C 13 41.53 0.3 . 1 . . . . 135 LEU CB . 19330 1 610 . 1 1 129 129 LEU CG C 13 27.09 0.3 . 1 . . . . 135 LEU CG . 19330 1 611 . 1 1 129 129 LEU CD1 C 13 23.55 0.3 . 1 . . . . 135 LEU CD1 . 19330 1 612 . 1 1 129 129 LEU CD2 C 13 23.16 0.3 . 1 . . . . 135 LEU CD2 . 19330 1 613 . 1 1 129 129 LEU N N 15 121.26 0.3 . 1 . . . . 135 LEU N . 19330 1 614 . 1 1 130 130 CYS H H 1 7.19 0.020 . 1 . . . . 136 CYS H . 19330 1 615 . 1 1 130 130 CYS CA C 13 57.54 0.3 . 1 . . . . 136 CYS CA . 19330 1 616 . 1 1 130 130 CYS CB C 13 30.20 0.3 . 1 . . . . 136 CYS CB . 19330 1 617 . 1 1 130 130 CYS N N 15 115.58 0.3 . 1 . . . . 136 CYS N . 19330 1 618 . 1 1 131 131 GLU H H 1 8.77 0.020 . 1 . . . . 137 GLU H . 19330 1 619 . 1 1 131 131 GLU CA C 13 54.62 0.3 . 1 . . . . 137 GLU CA . 19330 1 620 . 1 1 131 131 GLU CB C 13 32.24 0.3 . 1 . . . . 137 GLU CB . 19330 1 621 . 1 1 131 131 GLU CG C 13 35.22 0.3 . 1 . . . . 137 GLU CG . 19330 1 622 . 1 1 131 131 GLU N N 15 121.63 0.3 . 1 . . . . 137 GLU N . 19330 1 623 . 1 1 132 132 GLY H H 1 8.30 0.020 . 1 . . . . 138 GLY H . 19330 1 624 . 1 1 132 132 GLY CA C 13 44.66 0.3 . 1 . . . . 138 GLY CA . 19330 1 625 . 1 1 132 132 GLY N N 15 109.78 0.3 . 1 . . . . 138 GLY N . 19330 1 stop_ save_