data_18448 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18448 _Entry.Title ; Chemical Shift Assignment of the NIPP1 FHA Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-07 _Entry.Accession_date 2012-05-07 _Entry.Last_release_date 2013-02-14 _Entry.Original_release_date 2013-02-14 _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 Nichole O'Connell . . . 18448 2 Wolfgang Peti . . . 18448 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18448 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 18448 '15N chemical shifts' 121 18448 '1H chemical shifts' 121 18448 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 . . 2013-02-14 2012-05-07 original author . 18448 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JPE . 18448 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18448 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23241245 _Citation.Full_citation . _Citation.Title 'NIPP1 maintains EZH2 phosphorylation and promoter occupancy at proliferation-related target genes' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 41 _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 842 _Citation.Page_last 854 _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 Nikki Minnebo . . . 18448 1 2 Janina Gornemann . . . 18448 1 3 Nichole O'Connell . . . 18448 1 4 Nele 'Van Dessel' . . . 18448 1 5 Rita Derua . . . 18448 1 6 Marit Vermunt . W. . 18448 1 7 Rebecca Page . . . 18448 1 8 Monique Beullens . . . 18448 1 9 Wolfgang Peti . . . 18448 1 10 Aleyde 'Van Eynde' . . . 18448 1 11 Mathieu Bollen . . . 18448 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18448 _Assembly.ID 1 _Assembly.Name 'NIPP1 1-143' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Residues 1-2 are cloning artifacts. The NIPP1 FHA primary sequence residue 1 is residue 3 herein.' _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 'NIPP1 1-143' 1 $NIPP1_FHA A . yes native no no . . . 18448 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NIPP1_FHA _Entity.Sf_category entity _Entity.Sf_framecode NIPP1_FHA _Entity.Entry_ID 18448 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NIPP1_FHA _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 ; GHMAAAANSGSSLPLFDCPT WAGKPPPGLHLDVVKGDKLI EKLIIDEKKYYLFGRNPDLC DFTIDHQSCSRVHAALVYHK HLKRVFLIDLNSTHGTFLGH IRLEPHKPQQIPIDSTVSFG ASTRAYTLREKPQTLPSAVK GDEKM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GH are cloning artifacts. NIPP1 FHA domain residues 1-143' _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 145 _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 BMRB 15242 . FHA_domain . . . . . 91.03 140 99.24 99.24 3.70e-91 . . . . 18448 1 2 no PDB 2JPE . "Fha Domain Of Nipp1" . . . . . 91.03 140 99.24 99.24 3.70e-91 . . . . 18448 1 3 no DBJ BAC27653 . "unnamed protein product [Mus musculus]" . . . . . 67.59 306 100.00 100.00 2.49e-63 . . . . 18448 1 4 no DBJ BAF84766 . "unnamed protein product [Homo sapiens]" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 5 no DBJ BAG65401 . "unnamed protein product [Homo sapiens]" . . . . . 98.62 199 100.00 100.00 7.30e-100 . . . . 18448 1 6 no DBJ BAG73611 . "protein phosphatase 1, regulatory (inhibitor) subunit 8 [synthetic construct]" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 7 no EMBL CAA90625 . "NIPP-1, nuclear inhibitor of protein phosphatase-1 [Bos taurus]" . . . . . 98.62 351 100.00 100.00 9.19e-99 . . . . 18448 1 8 no GB AAD22486 . "nuclear inhibitor of phosphatase-1 [Homo sapiens]" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 9 no GB AAD24669 . "nuclear inhibitor of protein phosphatase-1 alpha [Homo sapiens]" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 10 no GB AAD31541 . "nuclear inhibitor of protein phosphatase-1 alpha [Homo sapiens]" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 11 no GB AAH01597 . "PPP1R8 protein, partial [Homo sapiens]" . . . . . 75.86 318 100.00 100.00 4.63e-72 . . . . 18448 1 12 no GB AAH25479 . "Protein phosphatase 1, regulatory (inhibitor) subunit 8 [Mus musculus]" . . . . . 98.62 351 99.30 99.30 4.44e-98 . . . . 18448 1 13 no REF NP_001026062 . "nuclear inhibitor of protein phosphatase 1 [Gallus gallus]" . . . . . 89.66 354 97.69 99.23 6.03e-87 . . . . 18448 1 14 no REF NP_001101381 . "nuclear inhibitor of protein phosphatase 1 [Rattus norvegicus]" . . . . . 98.62 351 99.30 99.30 6.09e-98 . . . . 18448 1 15 no REF NP_001230343 . "nuclear inhibitor of protein phosphatase 1 [Sus scrofa]" . . . . . 98.62 351 100.00 100.00 8.61e-99 . . . . 18448 1 16 no REF NP_001253391 . "nuclear inhibitor of protein phosphatase 1 [Macaca mulatta]" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 17 no REF NP_001277654 . "nuclear inhibitor of protein phosphatase 1 isoform 2 [Mus musculus]" . . . . . 98.62 350 99.30 99.30 4.30e-98 . . . . 18448 1 18 no SP Q12972 . "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 19 no SP Q28147 . "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" . . . . . 98.62 351 100.00 100.00 9.19e-99 . . . . 18448 1 20 no SP Q8R3G1 . "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" . . . . . 98.62 351 99.30 99.30 4.44e-98 . . . . 18448 1 21 no TPG DAA32062 . "TPA: nuclear inhibitor of protein phosphatase 1 [Bos taurus]" . . . . . 98.62 351 100.00 100.00 9.81e-99 . . . . 18448 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18448 1 2 . HIS . 18448 1 3 . MET . 18448 1 4 . ALA . 18448 1 5 . ALA . 18448 1 6 . ALA . 18448 1 7 . ALA . 18448 1 8 . ASN . 18448 1 9 . SER . 18448 1 10 . GLY . 18448 1 11 . SER . 18448 1 12 . SER . 18448 1 13 . LEU . 18448 1 14 . PRO . 18448 1 15 . LEU . 18448 1 16 . PHE . 18448 1 17 . ASP . 18448 1 18 . CYS . 18448 1 19 . PRO . 18448 1 20 . THR . 18448 1 21 . TRP . 18448 1 22 . ALA . 18448 1 23 . GLY . 18448 1 24 . LYS . 18448 1 25 . PRO . 18448 1 26 . PRO . 18448 1 27 . PRO . 18448 1 28 . GLY . 18448 1 29 . LEU . 18448 1 30 . HIS . 18448 1 31 . LEU . 18448 1 32 . ASP . 18448 1 33 . VAL . 18448 1 34 . VAL . 18448 1 35 . LYS . 18448 1 36 . GLY . 18448 1 37 . ASP . 18448 1 38 . LYS . 18448 1 39 . LEU . 18448 1 40 . ILE . 18448 1 41 . GLU . 18448 1 42 . LYS . 18448 1 43 . LEU . 18448 1 44 . ILE . 18448 1 45 . ILE . 18448 1 46 . ASP . 18448 1 47 . GLU . 18448 1 48 . LYS . 18448 1 49 . LYS . 18448 1 50 . TYR . 18448 1 51 . TYR . 18448 1 52 . LEU . 18448 1 53 . PHE . 18448 1 54 . GLY . 18448 1 55 . ARG . 18448 1 56 . ASN . 18448 1 57 . PRO . 18448 1 58 . ASP . 18448 1 59 . LEU . 18448 1 60 . CYS . 18448 1 61 . ASP . 18448 1 62 . PHE . 18448 1 63 . THR . 18448 1 64 . ILE . 18448 1 65 . ASP . 18448 1 66 . HIS . 18448 1 67 . GLN . 18448 1 68 . SER . 18448 1 69 . CYS . 18448 1 70 . SER . 18448 1 71 . ARG . 18448 1 72 . VAL . 18448 1 73 . HIS . 18448 1 74 . ALA . 18448 1 75 . ALA . 18448 1 76 . LEU . 18448 1 77 . VAL . 18448 1 78 . TYR . 18448 1 79 . HIS . 18448 1 80 . LYS . 18448 1 81 . HIS . 18448 1 82 . LEU . 18448 1 83 . LYS . 18448 1 84 . ARG . 18448 1 85 . VAL . 18448 1 86 . PHE . 18448 1 87 . LEU . 18448 1 88 . ILE . 18448 1 89 . ASP . 18448 1 90 . LEU . 18448 1 91 . ASN . 18448 1 92 . SER . 18448 1 93 . THR . 18448 1 94 . HIS . 18448 1 95 . GLY . 18448 1 96 . THR . 18448 1 97 . PHE . 18448 1 98 . LEU . 18448 1 99 . GLY . 18448 1 100 . HIS . 18448 1 101 . ILE . 18448 1 102 . ARG . 18448 1 103 . LEU . 18448 1 104 . GLU . 18448 1 105 . PRO . 18448 1 106 . HIS . 18448 1 107 . LYS . 18448 1 108 . PRO . 18448 1 109 . GLN . 18448 1 110 . GLN . 18448 1 111 . ILE . 18448 1 112 . PRO . 18448 1 113 . ILE . 18448 1 114 . ASP . 18448 1 115 . SER . 18448 1 116 . THR . 18448 1 117 . VAL . 18448 1 118 . SER . 18448 1 119 . PHE . 18448 1 120 . GLY . 18448 1 121 . ALA . 18448 1 122 . SER . 18448 1 123 . THR . 18448 1 124 . ARG . 18448 1 125 . ALA . 18448 1 126 . TYR . 18448 1 127 . THR . 18448 1 128 . LEU . 18448 1 129 . ARG . 18448 1 130 . GLU . 18448 1 131 . LYS . 18448 1 132 . PRO . 18448 1 133 . GLN . 18448 1 134 . THR . 18448 1 135 . LEU . 18448 1 136 . PRO . 18448 1 137 . SER . 18448 1 138 . ALA . 18448 1 139 . VAL . 18448 1 140 . LYS . 18448 1 141 . GLY . 18448 1 142 . ASP . 18448 1 143 . GLU . 18448 1 144 . LYS . 18448 1 145 . MET . 18448 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 18448 1 . HIS 2 2 18448 1 . MET 3 3 18448 1 . ALA 4 4 18448 1 . ALA 5 5 18448 1 . ALA 6 6 18448 1 . ALA 7 7 18448 1 . ASN 8 8 18448 1 . SER 9 9 18448 1 . GLY 10 10 18448 1 . SER 11 11 18448 1 . SER 12 12 18448 1 . LEU 13 13 18448 1 . PRO 14 14 18448 1 . LEU 15 15 18448 1 . PHE 16 16 18448 1 . ASP 17 17 18448 1 . CYS 18 18 18448 1 . PRO 19 19 18448 1 . THR 20 20 18448 1 . TRP 21 21 18448 1 . ALA 22 22 18448 1 . GLY 23 23 18448 1 . LYS 24 24 18448 1 . PRO 25 25 18448 1 . PRO 26 26 18448 1 . PRO 27 27 18448 1 . GLY 28 28 18448 1 . LEU 29 29 18448 1 . HIS 30 30 18448 1 . LEU 31 31 18448 1 . ASP 32 32 18448 1 . VAL 33 33 18448 1 . VAL 34 34 18448 1 . LYS 35 35 18448 1 . GLY 36 36 18448 1 . ASP 37 37 18448 1 . LYS 38 38 18448 1 . LEU 39 39 18448 1 . ILE 40 40 18448 1 . GLU 41 41 18448 1 . LYS 42 42 18448 1 . LEU 43 43 18448 1 . ILE 44 44 18448 1 . ILE 45 45 18448 1 . ASP 46 46 18448 1 . GLU 47 47 18448 1 . LYS 48 48 18448 1 . LYS 49 49 18448 1 . TYR 50 50 18448 1 . TYR 51 51 18448 1 . LEU 52 52 18448 1 . PHE 53 53 18448 1 . GLY 54 54 18448 1 . ARG 55 55 18448 1 . ASN 56 56 18448 1 . PRO 57 57 18448 1 . ASP 58 58 18448 1 . LEU 59 59 18448 1 . CYS 60 60 18448 1 . ASP 61 61 18448 1 . PHE 62 62 18448 1 . THR 63 63 18448 1 . ILE 64 64 18448 1 . ASP 65 65 18448 1 . HIS 66 66 18448 1 . GLN 67 67 18448 1 . SER 68 68 18448 1 . CYS 69 69 18448 1 . SER 70 70 18448 1 . ARG 71 71 18448 1 . VAL 72 72 18448 1 . HIS 73 73 18448 1 . ALA 74 74 18448 1 . ALA 75 75 18448 1 . LEU 76 76 18448 1 . VAL 77 77 18448 1 . TYR 78 78 18448 1 . HIS 79 79 18448 1 . LYS 80 80 18448 1 . HIS 81 81 18448 1 . LEU 82 82 18448 1 . LYS 83 83 18448 1 . ARG 84 84 18448 1 . VAL 85 85 18448 1 . PHE 86 86 18448 1 . LEU 87 87 18448 1 . ILE 88 88 18448 1 . ASP 89 89 18448 1 . LEU 90 90 18448 1 . ASN 91 91 18448 1 . SER 92 92 18448 1 . THR 93 93 18448 1 . HIS 94 94 18448 1 . GLY 95 95 18448 1 . THR 96 96 18448 1 . PHE 97 97 18448 1 . LEU 98 98 18448 1 . GLY 99 99 18448 1 . HIS 100 100 18448 1 . ILE 101 101 18448 1 . ARG 102 102 18448 1 . LEU 103 103 18448 1 . GLU 104 104 18448 1 . PRO 105 105 18448 1 . HIS 106 106 18448 1 . LYS 107 107 18448 1 . PRO 108 108 18448 1 . GLN 109 109 18448 1 . GLN 110 110 18448 1 . ILE 111 111 18448 1 . PRO 112 112 18448 1 . ILE 113 113 18448 1 . ASP 114 114 18448 1 . SER 115 115 18448 1 . THR 116 116 18448 1 . VAL 117 117 18448 1 . SER 118 118 18448 1 . PHE 119 119 18448 1 . GLY 120 120 18448 1 . ALA 121 121 18448 1 . SER 122 122 18448 1 . THR 123 123 18448 1 . ARG 124 124 18448 1 . ALA 125 125 18448 1 . TYR 126 126 18448 1 . THR 127 127 18448 1 . LEU 128 128 18448 1 . ARG 129 129 18448 1 . GLU 130 130 18448 1 . LYS 131 131 18448 1 . PRO 132 132 18448 1 . GLN 133 133 18448 1 . THR 134 134 18448 1 . LEU 135 135 18448 1 . PRO 136 136 18448 1 . SER 137 137 18448 1 . ALA 138 138 18448 1 . VAL 139 139 18448 1 . LYS 140 140 18448 1 . GLY 141 141 18448 1 . ASP 142 142 18448 1 . GLU 143 143 18448 1 . LYS 144 144 18448 1 . MET 145 145 18448 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 18448 _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 $NIPP1_FHA . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18448 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 18448 _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 $NIPP1_FHA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET M30-MBP' . . . . . . 18448 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18448 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1mM NIPP1 1-143 20 mM Bis Tris pH 6.5 50 mM NaCl 5 mM DTT 0.25 mM PMSF ; _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 'NIPP1 FHA' '[U-99% 13C; U-99% 15N]' . . 1 $NIPP1_FHA . . 1 . . mM . . . . 18448 1 2 PMSF 'natural abundance' . . . . . . 0.25 . . mM . . . . 18448 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18448 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18448 1 5 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 18448 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18448 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18448 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18448 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1mM NIPP1 1-143 20 mM Bis Tris pH 6.5 50 mM NaCl 5 mM DTT 0.25 mM PMSF ; _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 'NIPP1 FHA' '[U-99% 15N]' . . 1 $NIPP1_FHA . . 1 . . mM . . . . 18448 2 2 PMSF 'natural abundance' . . . . . . 0.25 . . mM . . . . 18448 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18448 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18448 2 5 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 18448 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18448 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18448 2 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 18448 _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' 50 . mM 18448 1 pH 6.5 . pH 18448 1 pressure 1 . atm 18448 1 temperature 298 . K 18448 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18448 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18448 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18448 1 processing 18448 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18448 _Software.ID 2 _Software.Name XEASY _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18448 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18448 2 'peak picking' 18448 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 18448 _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 18448 _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 . . . 18448 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 18448 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18448 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18448 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18448 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18448 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18448 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 18448 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18448 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18448 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18448 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 18448 _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' . . . 18448 1 2 '3D HNCA' . . . 18448 1 3 '3D HNCACB' . . . 18448 1 4 '3D C(CO)NH' . . . 18448 1 5 '3D CBCA(CO)NH' . . . 18448 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 7 7 ALA CA C 13 52.757 0.414 . 1 . . . . 7 ALA CA . 18448 1 2 . 1 1 7 7 ALA CB C 13 18.922 0.414 . 1 . . . . 7 ALA CB . 18448 1 3 . 1 1 8 8 ASN H H 1 8.351 0.007 . 1 . . . . 8 ASN H . 18448 1 4 . 1 1 8 8 ASN CA C 13 52.947 0.414 . 1 . . . . 8 ASN CA . 18448 1 5 . 1 1 8 8 ASN CB C 13 38.743 0.414 . 1 . . . . 8 ASN CB . 18448 1 6 . 1 1 8 8 ASN N N 15 117.67 0.095 . 1 . . . . 8 ASN N . 18448 1 7 . 1 1 9 9 SER H H 1 8.15 0.007 . 1 . . . . 9 SER H . 18448 1 8 . 1 1 9 9 SER CA C 13 58.388 0.414 . 1 . . . . 9 SER CA . 18448 1 9 . 1 1 9 9 SER CB C 13 63.907 0.414 . 1 . . . . 9 SER CB . 18448 1 10 . 1 1 9 9 SER N N 15 116.02 0.095 . 1 . . . . 9 SER N . 18448 1 11 . 1 1 10 10 GLY H H 1 7.974 0.007 . 1 . . . . 10 GLY H . 18448 1 12 . 1 1 10 10 GLY CA C 13 45.312 0.414 . 1 . . . . 10 GLY CA . 18448 1 13 . 1 1 10 10 GLY N N 15 116.86 0.095 . 1 . . . . 10 GLY N . 18448 1 14 . 1 1 11 11 SER H H 1 8.088 0.007 . 1 . . . . 11 SER H . 18448 1 15 . 1 1 11 11 SER CA C 13 58.17 0.414 . 1 . . . . 11 SER CA . 18448 1 16 . 1 1 11 11 SER CB C 13 63.844 0.414 . 1 . . . . 11 SER CB . 18448 1 17 . 1 1 11 11 SER N N 15 115.36 0.095 . 1 . . . . 11 SER N . 18448 1 18 . 1 1 12 12 SER H H 1 8.239 0.007 . 1 . . . . 12 SER H . 18448 1 19 . 1 1 12 12 SER CA C 13 58.17 0.414 . 1 . . . . 12 SER CA . 18448 1 20 . 1 1 12 12 SER CB C 13 63.822 0.414 . 1 . . . . 12 SER CB . 18448 1 21 . 1 1 12 12 SER N N 15 117.97 0.095 . 1 . . . . 12 SER N . 18448 1 22 . 1 1 13 13 LEU H H 1 8.071 0.007 . 1 . . . . 13 LEU H . 18448 1 23 . 1 1 13 13 LEU CA C 13 53.023 0.414 . 1 . . . . 13 LEU CA . 18448 1 24 . 1 1 13 13 LEU CB C 13 41.576 0.414 . 1 . . . . 13 LEU CB . 18448 1 25 . 1 1 13 13 LEU N N 15 124.9 0.095 . 1 . . . . 13 LEU N . 18448 1 26 . 1 1 14 14 PRO CA C 13 62.722 0.414 . 1 . . . . 14 PRO CA . 18448 1 27 . 1 1 14 14 PRO CB C 13 31.53 0.414 . 1 . . . . 14 PRO CB . 18448 1 28 . 1 1 15 15 LEU H H 1 8.288 0.007 . 1 . . . . 15 LEU H . 18448 1 29 . 1 1 15 15 LEU CA C 13 55.912 0.414 . 1 . . . . 15 LEU CA . 18448 1 30 . 1 1 15 15 LEU CB C 13 42.269 0.414 . 1 . . . . 15 LEU CB . 18448 1 31 . 1 1 15 15 LEU N N 15 122.45 0.095 . 1 . . . . 15 LEU N . 18448 1 32 . 1 1 16 16 PHE H H 1 7.676 0.007 . 1 . . . . 16 PHE H . 18448 1 33 . 1 1 16 16 PHE CA C 13 56.729 0.414 . 1 . . . . 16 PHE CA . 18448 1 34 . 1 1 16 16 PHE CB C 13 40.85 0.414 . 1 . . . . 16 PHE CB . 18448 1 35 . 1 1 16 16 PHE N N 15 117.76 0.095 . 1 . . . . 16 PHE N . 18448 1 36 . 1 1 17 17 ASP H H 1 7.782 0.007 . 1 . . . . 17 ASP H . 18448 1 37 . 1 1 17 17 ASP CA C 13 51.775 0.414 . 1 . . . . 17 ASP CA . 18448 1 38 . 1 1 17 17 ASP CB C 13 40.392 0.414 . 1 . . . . 17 ASP CB . 18448 1 39 . 1 1 17 17 ASP N N 15 128.22 0.095 . 1 . . . . 17 ASP N . 18448 1 40 . 1 1 18 18 CYS H H 1 7.688 0.007 . 1 . . . . 18 CYS H . 18448 1 41 . 1 1 18 18 CYS CA C 13 56.944 0.414 . 1 . . . . 18 CYS CA . 18448 1 42 . 1 1 18 18 CYS CB C 13 26.76 0.414 . 1 . . . . 18 CYS CB . 18448 1 43 . 1 1 18 18 CYS N N 15 125.27 0.095 . 1 . . . . 18 CYS N . 18448 1 44 . 1 1 19 19 PRO CA C 13 62.331 0.414 . 1 . . . . 19 PRO CA . 18448 1 45 . 1 1 19 19 PRO CB C 13 31.009 0.414 . 1 . . . . 19 PRO CB . 18448 1 46 . 1 1 20 20 THR H H 1 8.588 0.007 . 1 . . . . 20 THR H . 18448 1 47 . 1 1 20 20 THR CA C 13 64.153 0.414 . 1 . . . . 20 THR CA . 18448 1 48 . 1 1 20 20 THR CB C 13 68.441 0.414 . 1 . . . . 20 THR CB . 18448 1 49 . 1 1 20 20 THR N N 15 114.07 0.095 . 1 . . . . 20 THR N . 18448 1 50 . 1 1 21 21 TRP H H 1 6.329 0.007 . 1 . . . . 21 TRP H . 18448 1 51 . 1 1 21 21 TRP CA C 13 53.358 0.414 . 1 . . . . 21 TRP CA . 18448 1 52 . 1 1 21 21 TRP CB C 13 28.332 0.414 . 1 . . . . 21 TRP CB . 18448 1 53 . 1 1 21 21 TRP N N 15 114.17 0.095 . 1 . . . . 21 TRP N . 18448 1 54 . 1 1 22 22 ALA H H 1 6.765 0.007 . 1 . . . . 22 ALA H . 18448 1 55 . 1 1 22 22 ALA CA C 13 52.215 0.414 . 1 . . . . 22 ALA CA . 18448 1 56 . 1 1 22 22 ALA CB C 13 20.604 0.414 . 1 . . . . 22 ALA CB . 18448 1 57 . 1 1 22 22 ALA N N 15 123.58 0.095 . 1 . . . . 22 ALA N . 18448 1 58 . 1 1 23 23 GLY H H 1 8.96 0.007 . 1 . . . . 23 GLY H . 18448 1 59 . 1 1 23 23 GLY CA C 13 44.52 0.414 . 1 . . . . 23 GLY CA . 18448 1 60 . 1 1 23 23 GLY N N 15 109.12 0.095 . 1 . . . . 23 GLY N . 18448 1 61 . 1 1 27 27 PRO CA C 13 63.146 0.414 . 1 . . . . 27 PRO CA . 18448 1 62 . 1 1 27 27 PRO CB C 13 31.963 0.414 . 1 . . . . 27 PRO CB . 18448 1 63 . 1 1 28 28 GLY H H 1 10.741 0.007 . 1 . . . . 28 GLY H . 18448 1 64 . 1 1 28 28 GLY CA C 13 45.418 0.414 . 1 . . . . 28 GLY CA . 18448 1 65 . 1 1 28 28 GLY N N 15 113.31 0.095 . 1 . . . . 28 GLY N . 18448 1 66 . 1 1 29 29 LEU H H 1 7.112 0.007 . 1 . . . . 29 LEU H . 18448 1 67 . 1 1 29 29 LEU CA C 13 56.325 0.414 . 1 . . . . 29 LEU CA . 18448 1 68 . 1 1 29 29 LEU CB C 13 42.546 0.414 . 1 . . . . 29 LEU CB . 18448 1 69 . 1 1 29 29 LEU N N 15 126.55 0.095 . 1 . . . . 29 LEU N . 18448 1 70 . 1 1 30 30 HIS H H 1 8.839 0.007 . 1 . . . . 30 HIS H . 18448 1 71 . 1 1 30 30 HIS CA C 13 55.288 0.414 . 1 . . . . 30 HIS CA . 18448 1 72 . 1 1 30 30 HIS CB C 13 31.015 0.414 . 1 . . . . 30 HIS CB . 18448 1 73 . 1 1 30 30 HIS N N 15 120.59 0.095 . 1 . . . . 30 HIS N . 18448 1 74 . 1 1 31 31 LEU H H 1 9.102 0.007 . 1 . . . . 31 LEU H . 18448 1 75 . 1 1 31 31 LEU CA C 13 52.406 0.414 . 1 . . . . 31 LEU CA . 18448 1 76 . 1 1 31 31 LEU CB C 13 44.235 0.414 . 1 . . . . 31 LEU CB . 18448 1 77 . 1 1 31 31 LEU N N 15 117.33 0.095 . 1 . . . . 31 LEU N . 18448 1 78 . 1 1 32 32 ASP H H 1 9.032 0.007 . 1 . . . . 32 ASP H . 18448 1 79 . 1 1 32 32 ASP CA C 13 53.847 0.414 . 1 . . . . 32 ASP CA . 18448 1 80 . 1 1 32 32 ASP CB C 13 42 0.414 . 1 . . . . 32 ASP CB . 18448 1 81 . 1 1 32 32 ASP N N 15 124.81 0.095 . 1 . . . . 32 ASP N . 18448 1 82 . 1 1 33 33 VAL H H 1 8.587 0.007 . 1 . . . . 33 VAL H . 18448 1 83 . 1 1 33 33 VAL CA C 13 61.484 0.414 . 1 . . . . 33 VAL CA . 18448 1 84 . 1 1 33 33 VAL CB C 13 31.468 0.414 . 1 . . . . 33 VAL CB . 18448 1 85 . 1 1 33 33 VAL N N 15 124.25 0.095 . 1 . . . . 33 VAL N . 18448 1 86 . 1 1 34 34 VAL H H 1 8.748 0.007 . 1 . . . . 34 VAL H . 18448 1 87 . 1 1 34 34 VAL CA C 13 59.627 0.414 . 1 . . . . 34 VAL CA . 18448 1 88 . 1 1 34 34 VAL CB C 13 35.137 0.414 . 1 . . . . 34 VAL CB . 18448 1 89 . 1 1 34 34 VAL N N 15 126.46 0.095 . 1 . . . . 34 VAL N . 18448 1 90 . 1 1 38 38 LYS CA C 13 58.286 0.414 . 1 . . . . 38 LYS CA . 18448 1 91 . 1 1 38 38 LYS CB C 13 32.931 0.414 . 1 . . . . 38 LYS CB . 18448 1 92 . 1 1 39 39 LEU H H 1 8.356 0.007 . 1 . . . . 39 LEU H . 18448 1 93 . 1 1 39 39 LEU CA C 13 55.093 0.414 . 1 . . . . 39 LEU CA . 18448 1 94 . 1 1 39 39 LEU CB C 13 41.681 0.414 . 1 . . . . 39 LEU CB . 18448 1 95 . 1 1 39 39 LEU N N 15 126.51 0.095 . 1 . . . . 39 LEU N . 18448 1 96 . 1 1 40 40 ILE H H 1 9.274 0.007 . 1 . . . . 40 ILE H . 18448 1 97 . 1 1 40 40 ILE CA C 13 62.004 0.414 . 1 . . . . 40 ILE CA . 18448 1 98 . 1 1 40 40 ILE CB C 13 39.317 0.414 . 1 . . . . 40 ILE CB . 18448 1 99 . 1 1 40 40 ILE N N 15 126.22 0.095 . 1 . . . . 40 ILE N . 18448 1 100 . 1 1 41 41 GLU H H 1 7.545 0.007 . 1 . . . . 41 GLU H . 18448 1 101 . 1 1 41 41 GLU CA C 13 55.152 0.414 . 1 . . . . 41 GLU CA . 18448 1 102 . 1 1 41 41 GLU CB C 13 31.973 0.414 . 1 . . . . 41 GLU CB . 18448 1 103 . 1 1 41 41 GLU N N 15 116.04 0.095 . 1 . . . . 41 GLU N . 18448 1 104 . 1 1 42 42 LYS H H 1 8.248 0.007 . 1 . . . . 42 LYS H . 18448 1 105 . 1 1 42 42 LYS CA C 13 55.179 0.414 . 1 . . . . 42 LYS CA . 18448 1 106 . 1 1 42 42 LYS CB C 13 35.294 0.414 . 1 . . . . 42 LYS CB . 18448 1 107 . 1 1 42 42 LYS N N 15 118.9 0.095 . 1 . . . . 42 LYS N . 18448 1 108 . 1 1 43 43 LEU H H 1 9.27 0.007 . 1 . . . . 43 LEU H . 18448 1 109 . 1 1 43 43 LEU CA C 13 52.596 0.414 . 1 . . . . 43 LEU CA . 18448 1 110 . 1 1 43 43 LEU CB C 13 41.744 0.414 . 1 . . . . 43 LEU CB . 18448 1 111 . 1 1 43 43 LEU N N 15 123.43 0.095 . 1 . . . . 43 LEU N . 18448 1 112 . 1 1 44 44 ILE H H 1 8.797 0.007 . 1 . . . . 44 ILE H . 18448 1 113 . 1 1 44 44 ILE CA C 13 61.896 0.414 . 1 . . . . 44 ILE CA . 18448 1 114 . 1 1 44 44 ILE CB C 13 36.938 0.414 . 1 . . . . 44 ILE CB . 18448 1 115 . 1 1 44 44 ILE N N 15 126.13 0.095 . 1 . . . . 44 ILE N . 18448 1 116 . 1 1 45 45 ILE H H 1 7.328 0.007 . 1 . . . . 45 ILE H . 18448 1 117 . 1 1 45 45 ILE CA C 13 59.557 0.414 . 1 . . . . 45 ILE CA . 18448 1 118 . 1 1 45 45 ILE CB C 13 37.274 0.414 . 1 . . . . 45 ILE CB . 18448 1 119 . 1 1 45 45 ILE N N 15 120.4 0.095 . 1 . . . . 45 ILE N . 18448 1 120 . 1 1 46 46 ASP H H 1 6.794 0.007 . 1 . . . . 46 ASP H . 18448 1 121 . 1 1 46 46 ASP CA C 13 52.596 0.414 . 1 . . . . 46 ASP CA . 18448 1 122 . 1 1 46 46 ASP CB C 13 42 0.414 . 1 . . . . 46 ASP CB . 18448 1 123 . 1 1 46 46 ASP N N 15 114.97 0.095 . 1 . . . . 46 ASP N . 18448 1 124 . 1 1 47 47 GLU H H 1 7.574 0.007 . 1 . . . . 47 GLU H . 18448 1 125 . 1 1 47 47 GLU CA C 13 57.137 0.414 . 1 . . . . 47 GLU CA . 18448 1 126 . 1 1 47 47 GLU CB C 13 33.058 0.414 . 1 . . . . 47 GLU CB . 18448 1 127 . 1 1 47 47 GLU N N 15 115.36 0.095 . 1 . . . . 47 GLU N . 18448 1 128 . 1 1 48 48 LYS H H 1 7.374 0.007 . 1 . . . . 48 LYS H . 18448 1 129 . 1 1 48 48 LYS CA C 13 55.288 0.414 . 1 . . . . 48 LYS CA . 18448 1 130 . 1 1 48 48 LYS CB C 13 34.91 0.414 . 1 . . . . 48 LYS CB . 18448 1 131 . 1 1 48 48 LYS N N 15 116.81 0.095 . 1 . . . . 48 LYS N . 18448 1 132 . 1 1 49 49 LYS H H 1 7.98 0.007 . 1 . . . . 49 LYS H . 18448 1 133 . 1 1 49 49 LYS CA C 13 57.681 0.414 . 1 . . . . 49 LYS CA . 18448 1 134 . 1 1 49 49 LYS CB C 13 33.314 0.414 . 1 . . . . 49 LYS CB . 18448 1 135 . 1 1 49 49 LYS N N 15 115.3 0.095 . 1 . . . . 49 LYS N . 18448 1 136 . 1 1 50 50 TYR H H 1 6.569 0.007 . 1 . . . . 50 TYR H . 18448 1 137 . 1 1 50 50 TYR CA C 13 56.049 0.414 . 1 . . . . 50 TYR CA . 18448 1 138 . 1 1 50 50 TYR CB C 13 41.808 0.414 . 1 . . . . 50 TYR CB . 18448 1 139 . 1 1 50 50 TYR N N 15 109.22 0.095 . 1 . . . . 50 TYR N . 18448 1 140 . 1 1 51 51 TYR H H 1 9.11 0.007 . 1 . . . . 51 TYR H . 18448 1 141 . 1 1 51 51 TYR CA C 13 56.947 0.414 . 1 . . . . 51 TYR CA . 18448 1 142 . 1 1 51 51 TYR CB C 13 43.98 0.414 . 1 . . . . 51 TYR CB . 18448 1 143 . 1 1 51 51 TYR N N 15 117.05 0.095 . 1 . . . . 51 TYR N . 18448 1 144 . 1 1 52 52 LEU H H 1 9.698 0.007 . 1 . . . . 52 LEU H . 18448 1 145 . 1 1 52 52 LEU CA C 13 53.629 0.414 . 1 . . . . 52 LEU CA . 18448 1 146 . 1 1 52 52 LEU CB C 13 45.768 0.414 . 1 . . . . 52 LEU CB . 18448 1 147 . 1 1 52 52 LEU N N 15 120.57 0.095 . 1 . . . . 52 LEU N . 18448 1 148 . 1 1 53 53 PHE H H 1 9.085 0.007 . 1 . . . . 53 PHE H . 18448 1 149 . 1 1 53 53 PHE CA C 13 55.478 0.414 . 1 . . . . 53 PHE CA . 18448 1 150 . 1 1 53 53 PHE CB C 13 42.128 0.414 . 1 . . . . 53 PHE CB . 18448 1 151 . 1 1 53 53 PHE N N 15 120.78 0.095 . 1 . . . . 53 PHE N . 18448 1 152 . 1 1 54 54 GLY H H 1 8.206 0.007 . 1 . . . . 54 GLY H . 18448 1 153 . 1 1 54 54 GLY CA C 13 47.212 0.414 . 1 . . . . 54 GLY CA . 18448 1 154 . 1 1 54 54 GLY N N 15 109.2 0.095 . 1 . . . . 54 GLY N . 18448 1 155 . 1 1 55 55 ARG H H 1 8.443 0.007 . 1 . . . . 55 ARG H . 18448 1 156 . 1 1 55 55 ARG CA C 13 56.947 0.414 . 1 . . . . 55 ARG CA . 18448 1 157 . 1 1 55 55 ARG CB C 13 32.356 0.414 . 1 . . . . 55 ARG CB . 18448 1 158 . 1 1 55 55 ARG N N 15 119.6 0.095 . 1 . . . . 55 ARG N . 18448 1 159 . 1 1 56 56 ASN H H 1 8.106 0.007 . 1 . . . . 56 ASN H . 18448 1 160 . 1 1 56 56 ASN CA C 13 50.937 0.414 . 1 . . . . 56 ASN CA . 18448 1 161 . 1 1 56 56 ASN CB C 13 39.637 0.414 . 1 . . . . 56 ASN CB . 18448 1 162 . 1 1 56 56 ASN N N 15 117.19 0.095 . 1 . . . . 56 ASN N . 18448 1 163 . 1 1 57 57 PRO CA C 13 63.989 0.414 . 1 . . . . 57 PRO CA . 18448 1 164 . 1 1 57 57 PRO CB C 13 32.025 0.414 . 1 . . . . 57 PRO CB . 18448 1 165 . 1 1 58 58 ASP H H 1 7.917 0.007 . 1 . . . . 58 ASP H . 18448 1 166 . 1 1 58 58 ASP CA C 13 55.778 0.414 . 1 . . . . 58 ASP CA . 18448 1 167 . 1 1 58 58 ASP CB C 13 40.339 0.414 . 1 . . . . 58 ASP CB . 18448 1 168 . 1 1 58 58 ASP N N 15 116.37 0.095 . 1 . . . . 58 ASP N . 18448 1 169 . 1 1 59 59 LEU H H 1 7.006 0.007 . 1 . . . . 59 LEU H . 18448 1 170 . 1 1 59 59 LEU CA C 13 54.636 0.414 . 1 . . . . 59 LEU CA . 18448 1 171 . 1 1 59 59 LEU CB C 13 45.321 0.414 . 1 . . . . 59 LEU CB . 18448 1 172 . 1 1 59 59 LEU N N 15 115.63 0.095 . 1 . . . . 59 LEU N . 18448 1 173 . 1 1 60 60 CYS H H 1 6.969 0.007 . 1 . . . . 60 CYS H . 18448 1 174 . 1 1 60 60 CYS CA C 13 58.361 0.414 . 1 . . . . 60 CYS CA . 18448 1 175 . 1 1 60 60 CYS CB C 13 29.673 0.414 . 1 . . . . 60 CYS CB . 18448 1 176 . 1 1 60 60 CYS N N 15 113.33 0.095 . 1 . . . . 60 CYS N . 18448 1 177 . 1 1 61 61 ASP H H 1 7.709 0.007 . 1 . . . . 61 ASP H . 18448 1 178 . 1 1 61 61 ASP CA C 13 57.028 0.414 . 1 . . . . 61 ASP CA . 18448 1 179 . 1 1 61 61 ASP CB C 13 42.83 0.414 . 1 . . . . 61 ASP CB . 18448 1 180 . 1 1 61 61 ASP N N 15 120.97 0.095 . 1 . . . . 61 ASP N . 18448 1 181 . 1 1 62 62 PHE H H 1 7.383 0.007 . 1 . . . . 62 PHE H . 18448 1 182 . 1 1 62 62 PHE CA C 13 55.043 0.414 . 1 . . . . 62 PHE CA . 18448 1 183 . 1 1 62 62 PHE CB C 13 40.786 0.414 . 1 . . . . 62 PHE CB . 18448 1 184 . 1 1 62 62 PHE N N 15 115.68 0.095 . 1 . . . . 62 PHE N . 18448 1 185 . 1 1 63 63 THR H H 1 8.496 0.007 . 1 . . . . 63 THR H . 18448 1 186 . 1 1 63 63 THR CA C 13 60.482 0.414 . 1 . . . . 63 THR CA . 18448 1 187 . 1 1 63 63 THR CB C 13 69.655 0.414 . 1 . . . . 63 THR CB . 18448 1 188 . 1 1 63 63 THR N N 15 116.66 0.095 . 1 . . . . 63 THR N . 18448 1 189 . 1 1 64 64 ILE H H 1 7.774 0.007 . 1 . . . . 64 ILE H . 18448 1 190 . 1 1 64 64 ILE CA C 13 60.273 0.414 . 1 . . . . 64 ILE CA . 18448 1 191 . 1 1 64 64 ILE CB C 13 38.945 0.414 . 1 . . . . 64 ILE CB . 18448 1 192 . 1 1 64 64 ILE N N 15 125.28 0.095 . 1 . . . . 64 ILE N . 18448 1 193 . 1 1 65 65 ASP H H 1 8.284 0.007 . 1 . . . . 65 ASP H . 18448 1 194 . 1 1 65 65 ASP CA C 13 53.819 0.414 . 1 . . . . 65 ASP CA . 18448 1 195 . 1 1 65 65 ASP CB C 13 40.053 0.414 . 1 . . . . 65 ASP CB . 18448 1 196 . 1 1 65 65 ASP N N 15 123.38 0.095 . 1 . . . . 65 ASP N . 18448 1 197 . 1 1 66 66 HIS H H 1 7.563 0.007 . 1 . . . . 66 HIS H . 18448 1 198 . 1 1 66 66 HIS CA C 13 59.332 0.414 . 1 . . . . 66 HIS CA . 18448 1 199 . 1 1 66 66 HIS CB C 13 33.683 0.414 . 1 . . . . 66 HIS CB . 18448 1 200 . 1 1 66 66 HIS N N 15 122.04 0.095 . 1 . . . . 66 HIS N . 18448 1 201 . 1 1 67 67 GLN H H 1 8.376 0.007 . 1 . . . . 67 GLN H . 18448 1 202 . 1 1 67 67 GLN CA C 13 58.33 0.414 . 1 . . . . 67 GLN CA . 18448 1 203 . 1 1 67 67 GLN CB C 13 27.937 0.414 . 1 . . . . 67 GLN CB . 18448 1 204 . 1 1 67 67 GLN N N 15 125.02 0.095 . 1 . . . . 67 GLN N . 18448 1 205 . 1 1 68 68 SER H H 1 8.924 0.007 . 1 . . . . 68 SER H . 18448 1 206 . 1 1 68 68 SER CA C 13 59.421 0.414 . 1 . . . . 68 SER CA . 18448 1 207 . 1 1 68 68 SER CB C 13 63.587 0.414 . 1 . . . . 68 SER CB . 18448 1 208 . 1 1 68 68 SER N N 15 115.11 0.095 . 1 . . . . 68 SER N . 18448 1 209 . 1 1 69 69 CYS CA C 13 60.019 0.414 . 1 . . . . 69 CYS CA . 18448 1 210 . 1 1 69 69 CYS CB C 13 28.477 0.414 . 1 . . . . 69 CYS CB . 18448 1 211 . 1 1 70 70 SER H H 1 11.69 0.007 . 1 . . . . 70 SER H . 18448 1 212 . 1 1 70 70 SER CA C 13 60.494 0.414 . 1 . . . . 70 SER CA . 18448 1 213 . 1 1 70 70 SER CB C 13 64.824 0.414 . 1 . . . . 70 SER CB . 18448 1 214 . 1 1 70 70 SER N N 15 125.18 0.095 . 1 . . . . 70 SER N . 18448 1 215 . 1 1 71 71 ARG H H 1 8.793 0.007 . 1 . . . . 71 ARG H . 18448 1 216 . 1 1 71 71 ARG CA C 13 61.461 0.414 . 1 . . . . 71 ARG CA . 18448 1 217 . 1 1 71 71 ARG CB C 13 30.376 0.414 . 1 . . . . 71 ARG CB . 18448 1 218 . 1 1 71 71 ARG N N 15 124.56 0.095 . 1 . . . . 71 ARG N . 18448 1 219 . 1 1 72 72 VAL H H 1 7.201 0.007 . 1 . . . . 72 VAL H . 18448 1 220 . 1 1 72 72 VAL CA C 13 64.37 0.414 . 1 . . . . 72 VAL CA . 18448 1 221 . 1 1 72 72 VAL CB C 13 32.994 0.414 . 1 . . . . 72 VAL CB . 18448 1 222 . 1 1 72 72 VAL N N 15 113.94 0.095 . 1 . . . . 72 VAL N . 18448 1 223 . 1 1 73 73 HIS H H 1 9.231 0.007 . 1 . . . . 73 HIS H . 18448 1 224 . 1 1 73 73 HIS CA C 13 59.582 0.414 . 1 . . . . 73 HIS CA . 18448 1 225 . 1 1 73 73 HIS CB C 13 36.446 0.414 . 1 . . . . 73 HIS CB . 18448 1 226 . 1 1 73 73 HIS N N 15 129.02 0.095 . 1 . . . . 73 HIS N . 18448 1 227 . 1 1 74 74 ALA H H 1 8.049 0.007 . 1 . . . . 74 ALA H . 18448 1 228 . 1 1 74 74 ALA CA C 13 51.318 0.414 . 1 . . . . 74 ALA CA . 18448 1 229 . 1 1 74 74 ALA CB C 13 23.925 0.414 . 1 . . . . 74 ALA CB . 18448 1 230 . 1 1 74 74 ALA N N 15 114.97 0.095 . 1 . . . . 74 ALA N . 18448 1 231 . 1 1 75 75 ALA H H 1 8.96 0.007 . 1 . . . . 75 ALA H . 18448 1 232 . 1 1 75 75 ALA CA C 13 49.795 0.414 . 1 . . . . 75 ALA CA . 18448 1 233 . 1 1 75 75 ALA CB C 13 22.903 0.414 . 1 . . . . 75 ALA CB . 18448 1 234 . 1 1 75 75 ALA N N 15 121.07 0.095 . 1 . . . . 75 ALA N . 18448 1 235 . 1 1 76 76 LEU H H 1 9.456 0.007 . 1 . . . . 76 LEU H . 18448 1 236 . 1 1 76 76 LEU CA C 13 54.645 0.414 . 1 . . . . 76 LEU CA . 18448 1 237 . 1 1 76 76 LEU CB C 13 46.769 0.414 . 1 . . . . 76 LEU CB . 18448 1 238 . 1 1 76 76 LEU N N 15 126.26 0.095 . 1 . . . . 76 LEU N . 18448 1 239 . 1 1 77 77 VAL H H 1 9.574 0.007 . 1 . . . . 77 VAL H . 18448 1 240 . 1 1 77 77 VAL CA C 13 60.629 0.414 . 1 . . . . 77 VAL CA . 18448 1 241 . 1 1 77 77 VAL CB C 13 36.73 0.414 . 1 . . . . 77 VAL CB . 18448 1 242 . 1 1 77 77 VAL N N 15 123.94 0.095 . 1 . . . . 77 VAL N . 18448 1 243 . 1 1 78 78 TYR H H 1 8.843 0.007 . 1 . . . . 78 TYR H . 18448 1 244 . 1 1 78 78 TYR CA C 13 58.832 0.414 . 1 . . . . 78 TYR CA . 18448 1 245 . 1 1 78 78 TYR CB C 13 39.112 0.414 . 1 . . . . 78 TYR CB . 18448 1 246 . 1 1 78 78 TYR N N 15 128.45 0.095 . 1 . . . . 78 TYR N . 18448 1 247 . 1 1 79 79 HIS H H 1 8.696 0.007 . 1 . . . . 79 HIS H . 18448 1 248 . 1 1 79 79 HIS CA C 13 55.843 0.414 . 1 . . . . 79 HIS CA . 18448 1 249 . 1 1 79 79 HIS CB C 13 33.342 0.414 . 1 . . . . 79 HIS CB . 18448 1 250 . 1 1 79 79 HIS N N 15 130.04 0.095 . 1 . . . . 79 HIS N . 18448 1 251 . 1 1 80 80 LYS H H 1 8.546 0.007 . 1 . . . . 80 LYS H . 18448 1 252 . 1 1 80 80 LYS CA C 13 58.565 0.414 . 1 . . . . 80 LYS CA . 18448 1 253 . 1 1 80 80 LYS CB C 13 33.291 0.414 . 1 . . . . 80 LYS CB . 18448 1 254 . 1 1 80 80 LYS N N 15 125.85 0.095 . 1 . . . . 80 LYS N . 18448 1 255 . 1 1 81 81 HIS H H 1 8.48 0.007 . 1 . . . . 81 HIS H . 18448 1 256 . 1 1 81 81 HIS CA C 13 57.572 0.414 . 1 . . . . 81 HIS CA . 18448 1 257 . 1 1 81 81 HIS CB C 13 31.717 0.414 . 1 . . . . 81 HIS CB . 18448 1 258 . 1 1 81 81 HIS N N 15 118.12 0.095 . 1 . . . . 81 HIS N . 18448 1 259 . 1 1 82 82 LEU H H 1 9.008 0.007 . 1 . . . . 82 LEU H . 18448 1 260 . 1 1 82 82 LEU CA C 13 55.071 0.414 . 1 . . . . 82 LEU CA . 18448 1 261 . 1 1 82 82 LEU CB C 13 41.744 0.414 . 1 . . . . 82 LEU CB . 18448 1 262 . 1 1 82 82 LEU N N 15 120.03 0.095 . 1 . . . . 82 LEU N . 18448 1 263 . 1 1 83 83 LYS H H 1 8.048 0.007 . 1 . . . . 83 LYS H . 18448 1 264 . 1 1 83 83 LYS CA C 13 57.056 0.414 . 1 . . . . 83 LYS CA . 18448 1 265 . 1 1 83 83 LYS CB C 13 28.46 0.414 . 1 . . . . 83 LYS CB . 18448 1 266 . 1 1 83 83 LYS N N 15 116.34 0.095 . 1 . . . . 83 LYS N . 18448 1 267 . 1 1 84 84 ARG H H 1 6.376 0.007 . 1 . . . . 84 ARG H . 18448 1 268 . 1 1 84 84 ARG CA C 13 53.004 0.414 . 1 . . . . 84 ARG CA . 18448 1 269 . 1 1 84 84 ARG CB C 13 35.102 0.414 . 1 . . . . 84 ARG CB . 18448 1 270 . 1 1 84 84 ARG N N 15 114.01 0.095 . 1 . . . . 84 ARG N . 18448 1 271 . 1 1 85 85 VAL H H 1 8.944 0.007 . 1 . . . . 85 VAL H . 18448 1 272 . 1 1 85 85 VAL CA C 13 62.722 0.414 . 1 . . . . 85 VAL CA . 18448 1 273 . 1 1 85 85 VAL CB C 13 32.368 0.414 . 1 . . . . 85 VAL CB . 18448 1 274 . 1 1 85 85 VAL N N 15 123.38 0.095 . 1 . . . . 85 VAL N . 18448 1 275 . 1 1 86 86 PHE H H 1 9.46 0.007 . 1 . . . . 86 PHE H . 18448 1 276 . 1 1 86 86 PHE CA C 13 56.729 0.414 . 1 . . . . 86 PHE CA . 18448 1 277 . 1 1 86 86 PHE CB C 13 43.788 0.414 . 1 . . . . 86 PHE CB . 18448 1 278 . 1 1 86 86 PHE N N 15 124.04 0.095 . 1 . . . . 86 PHE N . 18448 1 279 . 1 1 87 87 LEU H H 1 9.095 0.007 . 1 . . . . 87 LEU H . 18448 1 280 . 1 1 87 87 LEU CA C 13 52.786 0.414 . 1 . . . . 87 LEU CA . 18448 1 281 . 1 1 87 87 LEU CB C 13 46.726 0.414 . 1 . . . . 87 LEU CB . 18448 1 282 . 1 1 87 87 LEU N N 15 123 0.095 . 1 . . . . 87 LEU N . 18448 1 283 . 1 1 88 88 ILE H H 1 9.377 0.007 . 1 . . . . 88 ILE H . 18448 1 284 . 1 1 88 88 ILE CA C 13 60.074 0.414 . 1 . . . . 88 ILE CA . 18448 1 285 . 1 1 88 88 ILE CB C 13 41.361 0.414 . 1 . . . . 88 ILE CB . 18448 1 286 . 1 1 88 88 ILE N N 15 123.24 0.095 . 1 . . . . 88 ILE N . 18448 1 287 . 1 1 89 89 ASP H H 1 9.987 0.007 . 1 . . . . 89 ASP H . 18448 1 288 . 1 1 89 89 ASP CA C 13 55.009 0.414 . 1 . . . . 89 ASP CA . 18448 1 289 . 1 1 89 89 ASP CB C 13 43.945 0.414 . 1 . . . . 89 ASP CB . 18448 1 290 . 1 1 89 89 ASP N N 15 128.2 0.095 . 1 . . . . 89 ASP N . 18448 1 291 . 1 1 90 90 LEU H H 1 8.283 0.007 . 1 . . . . 90 LEU H . 18448 1 292 . 1 1 90 90 LEU CA C 13 52.562 0.414 . 1 . . . . 90 LEU CA . 18448 1 293 . 1 1 90 90 LEU CB C 13 37.576 0.414 . 1 . . . . 90 LEU CB . 18448 1 294 . 1 1 90 90 LEU N N 15 129.34 0.095 . 1 . . . . 90 LEU N . 18448 1 295 . 1 1 91 91 ASN H H 1 7.559 0.007 . 1 . . . . 91 ASN H . 18448 1 296 . 1 1 91 91 ASN CA C 13 53.385 0.414 . 1 . . . . 91 ASN CA . 18448 1 297 . 1 1 91 91 ASN CB C 13 37.314 0.414 . 1 . . . . 91 ASN CB . 18448 1 298 . 1 1 91 91 ASN N N 15 118.01 0.095 . 1 . . . . 91 ASN N . 18448 1 299 . 1 1 92 92 SER H H 1 8.363 0.007 . 1 . . . . 92 SER H . 18448 1 300 . 1 1 92 92 SER CA C 13 59.013 0.414 . 1 . . . . 92 SER CA . 18448 1 301 . 1 1 92 92 SER CB C 13 60.585 0.414 . 1 . . . . 92 SER CB . 18448 1 302 . 1 1 92 92 SER N N 15 116.82 0.095 . 1 . . . . 92 SER N . 18448 1 303 . 1 1 93 93 THR H H 1 7.031 0.007 . 1 . . . . 93 THR H . 18448 1 304 . 1 1 93 93 THR CA C 13 66.219 0.414 . 1 . . . . 93 THR CA . 18448 1 305 . 1 1 93 93 THR CB C 13 68.952 0.414 . 1 . . . . 93 THR CB . 18448 1 306 . 1 1 93 93 THR N N 15 117.57 0.095 . 1 . . . . 93 THR N . 18448 1 307 . 1 1 94 94 HIS H H 1 9.453 0.007 . 1 . . . . 94 HIS H . 18448 1 308 . 1 1 94 94 HIS CA C 13 56.729 0.414 . 1 . . . . 94 HIS CA . 18448 1 309 . 1 1 94 94 HIS CB C 13 30.44 0.414 . 1 . . . . 94 HIS CB . 18448 1 310 . 1 1 94 94 HIS N N 15 115.87 0.095 . 1 . . . . 94 HIS N . 18448 1 311 . 1 1 95 95 GLY H H 1 7.233 0.007 . 1 . . . . 95 GLY H . 18448 1 312 . 1 1 95 95 GLY CA C 13 45.2 0.414 . 1 . . . . 95 GLY CA . 18448 1 313 . 1 1 95 95 GLY N N 15 108.49 0.095 . 1 . . . . 95 GLY N . 18448 1 314 . 1 1 96 96 THR H H 1 8.204 0.007 . 1 . . . . 96 THR H . 18448 1 315 . 1 1 96 96 THR CA C 13 63.772 0.414 . 1 . . . . 96 THR CA . 18448 1 316 . 1 1 96 96 THR CB C 13 69.719 0.414 . 1 . . . . 96 THR CB . 18448 1 317 . 1 1 96 96 THR N N 15 122.3 0.095 . 1 . . . . 96 THR N . 18448 1 318 . 1 1 97 97 PHE H H 1 8.735 0.007 . 1 . . . . 97 PHE H . 18448 1 319 . 1 1 97 97 PHE CA C 13 56.915 0.414 . 1 . . . . 97 PHE CA . 18448 1 320 . 1 1 97 97 PHE CB C 13 41.784 0.414 . 1 . . . . 97 PHE CB . 18448 1 321 . 1 1 97 97 PHE N N 15 123.85 0.095 . 1 . . . . 97 PHE N . 18448 1 322 . 1 1 98 98 LEU H H 1 8.493 0.007 . 1 . . . . 98 LEU H . 18448 1 323 . 1 1 98 98 LEU CA C 13 52.655 0.414 . 1 . . . . 98 LEU CA . 18448 1 324 . 1 1 98 98 LEU CB C 13 43.724 0.414 . 1 . . . . 98 LEU CB . 18448 1 325 . 1 1 98 98 LEU N N 15 123.19 0.095 . 1 . . . . 98 LEU N . 18448 1 326 . 1 1 99 99 GLY H H 1 8.484 0.007 . 1 . . . . 99 GLY H . 18448 1 327 . 1 1 99 99 GLY CA C 13 47.403 0.414 . 1 . . . . 99 GLY CA . 18448 1 328 . 1 1 99 99 GLY N N 15 117.66 0.095 . 1 . . . . 99 GLY N . 18448 1 329 . 1 1 100 100 HIS H H 1 8.772 0.007 . 1 . . . . 100 HIS H . 18448 1 330 . 1 1 100 100 HIS CA C 13 55.914 0.414 . 1 . . . . 100 HIS CA . 18448 1 331 . 1 1 100 100 HIS CB C 13 28.971 0.414 . 1 . . . . 100 HIS CB . 18448 1 332 . 1 1 100 100 HIS N N 15 122.73 0.095 . 1 . . . . 100 HIS N . 18448 1 333 . 1 1 101 101 ILE H H 1 8.08 0.007 . 1 . . . . 101 ILE H . 18448 1 334 . 1 1 101 101 ILE CA C 13 60.658 0.414 . 1 . . . . 101 ILE CA . 18448 1 335 . 1 1 101 101 ILE CB C 13 38.184 0.414 . 1 . . . . 101 ILE CB . 18448 1 336 . 1 1 101 101 ILE N N 15 123.05 0.095 . 1 . . . . 101 ILE N . 18448 1 337 . 1 1 102 102 ARG H H 1 8.564 0.007 . 1 . . . . 102 ARG H . 18448 1 338 . 1 1 102 102 ARG CA C 13 55.617 0.414 . 1 . . . . 102 ARG CA . 18448 1 339 . 1 1 102 102 ARG CB C 13 30.792 0.414 . 1 . . . . 102 ARG CB . 18448 1 340 . 1 1 102 102 ARG N N 15 129.31 0.095 . 1 . . . . 102 ARG N . 18448 1 341 . 1 1 103 103 LEU H H 1 8.569 0.007 . 1 . . . . 103 LEU H . 18448 1 342 . 1 1 103 103 LEU CA C 13 56.298 0.414 . 1 . . . . 103 LEU CA . 18448 1 343 . 1 1 103 103 LEU CB C 13 40.84 0.414 . 1 . . . . 103 LEU CB . 18448 1 344 . 1 1 103 103 LEU N N 15 130.03 0.095 . 1 . . . . 103 LEU N . 18448 1 345 . 1 1 104 104 GLU H H 1 9.012 0.007 . 1 . . . . 104 GLU H . 18448 1 346 . 1 1 104 104 GLU CA C 13 53.82 0.414 . 1 . . . . 104 GLU CA . 18448 1 347 . 1 1 104 104 GLU CB C 13 29.929 0.414 . 1 . . . . 104 GLU CB . 18448 1 348 . 1 1 104 104 GLU N N 15 123.19 0.095 . 1 . . . . 104 GLU N . 18448 1 349 . 1 1 105 105 PRO CA C 13 63.826 0.414 . 1 . . . . 105 PRO CA . 18448 1 350 . 1 1 105 105 PRO CB C 13 32.472 0.414 . 1 . . . . 105 PRO CB . 18448 1 351 . 1 1 106 106 HIS H H 1 9.088 0.007 . 1 . . . . 106 HIS H . 18448 1 352 . 1 1 106 106 HIS CA C 13 59.122 0.414 . 1 . . . . 106 HIS CA . 18448 1 353 . 1 1 106 106 HIS CB C 13 27.949 0.414 . 1 . . . . 106 HIS CB . 18448 1 354 . 1 1 106 106 HIS N N 15 114.2 0.095 . 1 . . . . 106 HIS N . 18448 1 355 . 1 1 107 107 LYS H H 1 7.657 0.007 . 1 . . . . 107 LYS H . 18448 1 356 . 1 1 107 107 LYS CA C 13 53.2 0.414 . 1 . . . . 107 LYS CA . 18448 1 357 . 1 1 107 107 LYS CB C 13 33.06 0.414 . 1 . . . . 107 LYS CB . 18448 1 358 . 1 1 107 107 LYS N N 15 121.82 0.095 . 1 . . . . 107 LYS N . 18448 1 359 . 1 1 108 108 PRO CA C 13 63.873 0.414 . 1 . . . . 108 PRO CA . 18448 1 360 . 1 1 108 108 PRO CB C 13 32.508 0.414 . 1 . . . . 108 PRO CB . 18448 1 361 . 1 1 109 109 GLN H H 1 9.188 0.007 . 1 . . . . 109 GLN H . 18448 1 362 . 1 1 109 109 GLN CA C 13 53.383 0.414 . 1 . . . . 109 GLN CA . 18448 1 363 . 1 1 109 109 GLN CB C 13 31.368 0.414 . 1 . . . . 109 GLN CB . 18448 1 364 . 1 1 109 109 GLN N N 15 126.74 0.095 . 1 . . . . 109 GLN N . 18448 1 365 . 1 1 110 110 GLN H H 1 8.873 0.007 . 1 . . . . 110 GLN H . 18448 1 366 . 1 1 110 110 GLN CA C 13 56.328 0.414 . 1 . . . . 110 GLN CA . 18448 1 367 . 1 1 110 110 GLN CB C 13 28.04 0.414 . 1 . . . . 110 GLN CB . 18448 1 368 . 1 1 110 110 GLN N N 15 130.06 0.095 . 1 . . . . 110 GLN N . 18448 1 369 . 1 1 111 111 ILE H H 1 8.45 0.007 . 1 . . . . 111 ILE H . 18448 1 370 . 1 1 111 111 ILE CA C 13 55.5 0.414 . 1 . . . . 111 ILE CA . 18448 1 371 . 1 1 111 111 ILE CB C 13 35.276 0.414 . 1 . . . . 111 ILE CB . 18448 1 372 . 1 1 111 111 ILE N N 15 125.46 0.095 . 1 . . . . 111 ILE N . 18448 1 373 . 1 1 112 112 PRO CA C 13 62.073 0.414 . 1 . . . . 112 PRO CA . 18448 1 374 . 1 1 112 112 PRO CB C 13 31.835 0.414 . 1 . . . . 112 PRO CB . 18448 1 375 . 1 1 113 113 ILE H H 1 8.319 0.007 . 1 . . . . 113 ILE H . 18448 1 376 . 1 1 113 113 ILE CA C 13 61.923 0.414 . 1 . . . . 113 ILE CA . 18448 1 377 . 1 1 113 113 ILE CB C 13 35.207 0.414 . 1 . . . . 113 ILE CB . 18448 1 378 . 1 1 113 113 ILE N N 15 122.76 0.095 . 1 . . . . 113 ILE N . 18448 1 379 . 1 1 114 114 ASP H H 1 8.889 0.007 . 1 . . . . 114 ASP H . 18448 1 380 . 1 1 114 114 ASP CA C 13 57.355 0.414 . 1 . . . . 114 ASP CA . 18448 1 381 . 1 1 114 114 ASP CB C 13 38.078 0.414 . 1 . . . . 114 ASP CB . 18448 1 382 . 1 1 114 114 ASP N N 15 121.06 0.095 . 1 . . . . 114 ASP N . 18448 1 383 . 1 1 115 115 SER H H 1 7.787 0.007 . 1 . . . . 115 SER H . 18448 1 384 . 1 1 115 115 SER CA C 13 59.639 0.414 . 1 . . . . 115 SER CA . 18448 1 385 . 1 1 115 115 SER CB C 13 64.143 0.414 . 1 . . . . 115 SER CB . 18448 1 386 . 1 1 115 115 SER N N 15 115.96 0.095 . 1 . . . . 115 SER N . 18448 1 387 . 1 1 116 116 THR H H 1 7.969 0.007 . 1 . . . . 116 THR H . 18448 1 388 . 1 1 116 116 THR CA C 13 62.358 0.414 . 1 . . . . 116 THR CA . 18448 1 389 . 1 1 116 116 THR CB C 13 71.124 0.414 . 1 . . . . 116 THR CB . 18448 1 390 . 1 1 116 116 THR N N 15 115.99 0.095 . 1 . . . . 116 THR N . 18448 1 391 . 1 1 117 117 VAL H H 1 9.206 0.007 . 1 . . . . 117 VAL H . 18448 1 392 . 1 1 117 117 VAL CA C 13 58.198 0.414 . 1 . . . . 117 VAL CA . 18448 1 393 . 1 1 117 117 VAL CB C 13 34.527 0.414 . 1 . . . . 117 VAL CB . 18448 1 394 . 1 1 117 117 VAL N N 15 123.02 0.095 . 1 . . . . 117 VAL N . 18448 1 395 . 1 1 118 118 SER H H 1 8.414 0.007 . 1 . . . . 118 SER H . 18448 1 396 . 1 1 118 118 SER CA C 13 57.572 0.414 . 1 . . . . 118 SER CA . 18448 1 397 . 1 1 118 118 SER CB C 13 65.811 0.414 . 1 . . . . 118 SER CB . 18448 1 398 . 1 1 118 118 SER N N 15 113.79 0.095 . 1 . . . . 118 SER N . 18448 1 399 . 1 1 119 119 PHE H H 1 8.979 0.007 . 1 . . . . 119 PHE H . 18448 1 400 . 1 1 119 119 PHE CA C 13 56.512 0.414 . 1 . . . . 119 PHE CA . 18448 1 401 . 1 1 119 119 PHE CB C 13 42.064 0.414 . 1 . . . . 119 PHE CB . 18448 1 402 . 1 1 119 119 PHE N N 15 118.05 0.095 . 1 . . . . 119 PHE N . 18448 1 403 . 1 1 120 120 GLY H H 1 9.285 0.007 . 1 . . . . 120 GLY H . 18448 1 404 . 1 1 120 120 GLY CA C 13 46.804 0.414 . 1 . . . . 120 GLY CA . 18448 1 405 . 1 1 120 120 GLY N N 15 110.86 0.095 . 1 . . . . 120 GLY N . 18448 1 406 . 1 1 121 121 ALA H H 1 8.994 0.007 . 1 . . . . 121 ALA H . 18448 1 407 . 1 1 121 121 ALA CA C 13 50.113 0.414 . 1 . . . . 121 ALA CA . 18448 1 408 . 1 1 121 121 ALA CB C 13 18.504 0.414 . 1 . . . . 121 ALA CB . 18448 1 409 . 1 1 121 121 ALA N N 15 127.31 0.095 . 1 . . . . 121 ALA N . 18448 1 410 . 1 1 122 122 SER H H 1 7.353 0.007 . 1 . . . . 122 SER H . 18448 1 411 . 1 1 122 122 SER CA C 13 58.143 0.414 . 1 . . . . 122 SER CA . 18448 1 412 . 1 1 122 122 SER CB C 13 62.757 0.414 . 1 . . . . 122 SER CB . 18448 1 413 . 1 1 122 122 SER N N 15 112.91 0.095 . 1 . . . . 122 SER N . 18448 1 414 . 1 1 123 123 THR H H 1 8.214 0.007 . 1 . . . . 123 THR H . 18448 1 415 . 1 1 123 123 THR CA C 13 61.923 0.414 . 1 . . . . 123 THR CA . 18448 1 416 . 1 1 123 123 THR CB C 13 68.697 0.414 . 1 . . . . 123 THR CB . 18448 1 417 . 1 1 123 123 THR N N 15 116.62 0.095 . 1 . . . . 123 THR N . 18448 1 418 . 1 1 124 124 ARG H H 1 7.489 0.007 . 1 . . . . 124 ARG H . 18448 1 419 . 1 1 124 124 ARG CA C 13 56.838 0.414 . 1 . . . . 124 ARG CA . 18448 1 420 . 1 1 124 124 ARG CB C 13 31.973 0.414 . 1 . . . . 124 ARG CB . 18448 1 421 . 1 1 124 124 ARG N N 15 121.35 0.095 . 1 . . . . 124 ARG N . 18448 1 422 . 1 1 125 125 ALA H H 1 8.73 0.007 . 1 . . . . 125 ALA H . 18448 1 423 . 1 1 125 125 ALA CA C 13 50.93 0.414 . 1 . . . . 125 ALA CA . 18448 1 424 . 1 1 125 125 ALA CB C 13 21.384 0.414 . 1 . . . . 125 ALA CB . 18448 1 425 . 1 1 125 125 ALA N N 15 128.02 0.095 . 1 . . . . 125 ALA N . 18448 1 426 . 1 1 126 126 TYR H H 1 8.713 0.007 . 1 . . . . 126 TYR H . 18448 1 427 . 1 1 126 126 TYR CA C 13 56.561 0.414 . 1 . . . . 126 TYR CA . 18448 1 428 . 1 1 126 126 TYR CB C 13 39.361 0.414 . 1 . . . . 126 TYR CB . 18448 1 429 . 1 1 126 126 TYR N N 15 121.35 0.095 . 1 . . . . 126 TYR N . 18448 1 430 . 1 1 127 127 THR H H 1 9.329 0.007 . 1 . . . . 127 THR H . 18448 1 431 . 1 1 127 127 THR CA C 13 61.352 0.414 . 1 . . . . 127 THR CA . 18448 1 432 . 1 1 127 127 THR CB C 13 70.613 0.414 . 1 . . . . 127 THR CB . 18448 1 433 . 1 1 127 127 THR N N 15 121.62 0.095 . 1 . . . . 127 THR N . 18448 1 434 . 1 1 128 128 LEU H H 1 8.115 0.007 . 1 . . . . 128 LEU H . 18448 1 435 . 1 1 128 128 LEU CA C 13 55.699 0.414 . 1 . . . . 128 LEU CA . 18448 1 436 . 1 1 128 128 LEU CB C 13 42.504 0.414 . 1 . . . . 128 LEU CB . 18448 1 437 . 1 1 128 128 LEU N N 15 129.71 0.095 . 1 . . . . 128 LEU N . 18448 1 438 . 1 1 129 129 ARG H H 1 8.794 0.007 . 1 . . . . 129 ARG H . 18448 1 439 . 1 1 129 129 ARG CA C 13 52.788 0.414 . 1 . . . . 129 ARG CA . 18448 1 440 . 1 1 129 129 ARG CB C 13 33.891 0.414 . 1 . . . . 129 ARG CB . 18448 1 441 . 1 1 129 129 ARG N N 15 125.56 0.095 . 1 . . . . 129 ARG N . 18448 1 442 . 1 1 130 130 GLU H H 1 8.019 0.007 . 1 . . . . 130 GLU H . 18448 1 443 . 1 1 130 130 GLU CA C 13 54.119 0.414 . 1 . . . . 130 GLU CA . 18448 1 444 . 1 1 130 130 GLU CB C 13 32.484 0.414 . 1 . . . . 130 GLU CB . 18448 1 445 . 1 1 130 130 GLU N N 15 116.58 0.095 . 1 . . . . 130 GLU N . 18448 1 446 . 1 1 131 131 LYS H H 1 8.456 0.007 . 1 . . . . 131 LYS H . 18448 1 447 . 1 1 131 131 LYS CA C 13 54.391 0.414 . 1 . . . . 131 LYS CA . 18448 1 448 . 1 1 131 131 LYS CB C 13 33.129 0.414 . 1 . . . . 131 LYS CB . 18448 1 449 . 1 1 131 131 LYS N N 15 122.69 0.095 . 1 . . . . 131 LYS N . 18448 1 450 . 1 1 132 132 PRO CA C 13 63.134 0.414 . 1 . . . . 132 PRO CA . 18448 1 451 . 1 1 132 132 PRO CB C 13 32.007 0.414 . 1 . . . . 132 PRO CB . 18448 1 452 . 1 1 133 133 GLN H H 1 8.547 0.007 . 1 . . . . 133 GLN H . 18448 1 453 . 1 1 133 133 GLN CA C 13 55.706 0.414 . 1 . . . . 133 GLN CA . 18448 1 454 . 1 1 133 133 GLN CB C 13 29.46 0.414 . 1 . . . . 133 GLN CB . 18448 1 455 . 1 1 133 133 GLN N N 15 121.55 0.095 . 1 . . . . 133 GLN N . 18448 1 456 . 1 1 134 134 THR H H 1 8.131 0.007 . 1 . . . . 134 THR H . 18448 1 457 . 1 1 134 134 THR CA C 13 61.705 0.414 . 1 . . . . 134 THR CA . 18448 1 458 . 1 1 134 134 THR CB C 13 69.91 0.414 . 1 . . . . 134 THR CB . 18448 1 459 . 1 1 134 134 THR N N 15 116.58 0.095 . 1 . . . . 134 THR N . 18448 1 460 . 1 1 135 135 LEU H H 1 8.315 0.007 . 1 . . . . 135 LEU H . 18448 1 461 . 1 1 135 135 LEU CA C 13 52.994 0.414 . 1 . . . . 135 LEU CA . 18448 1 462 . 1 1 135 135 LEU CB C 13 41.784 0.414 . 1 . . . . 135 LEU CB . 18448 1 463 . 1 1 135 135 LEU N N 15 126.6 0.095 . 1 . . . . 135 LEU N . 18448 1 464 . 1 1 136 136 PRO CA C 13 63.137 0.414 . 1 . . . . 136 PRO CA . 18448 1 465 . 1 1 136 136 PRO CB C 13 31.884 0.414 . 1 . . . . 136 PRO CB . 18448 1 466 . 1 1 137 137 SER H H 1 8.183 0.007 . 1 . . . . 137 SER H . 18448 1 467 . 1 1 137 137 SER CA C 13 58.17 0.414 . 1 . . . . 137 SER CA . 18448 1 468 . 1 1 137 137 SER CB C 13 63.843 0.414 . 1 . . . . 137 SER CB . 18448 1 469 . 1 1 137 137 SER N N 15 115.45 0.095 . 1 . . . . 137 SER N . 18448 1 470 . 1 1 138 138 ALA H H 1 8.219 0.007 . 1 . . . . 138 ALA H . 18448 1 471 . 1 1 138 138 ALA CA C 13 52.375 0.414 . 1 . . . . 138 ALA CA . 18448 1 472 . 1 1 138 138 ALA CB C 13 19.282 0.414 . 1 . . . . 138 ALA CB . 18448 1 473 . 1 1 138 138 ALA N N 15 126.08 0.095 . 1 . . . . 138 ALA N . 18448 1 474 . 1 1 139 139 VAL H H 1 7.974 0.007 . 1 . . . . 139 VAL H . 18448 1 475 . 1 1 139 139 VAL CA C 13 62.14 0.414 . 1 . . . . 139 VAL CA . 18448 1 476 . 1 1 139 139 VAL CB C 13 32.739 0.414 . 1 . . . . 139 VAL CB . 18448 1 477 . 1 1 139 139 VAL N N 15 119.57 0.095 . 1 . . . . 139 VAL N . 18448 1 478 . 1 1 140 140 LYS H H 1 8.421 0.007 . 1 . . . . 140 LYS H . 18448 1 479 . 1 1 140 140 LYS CA C 13 56.502 0.414 . 1 . . . . 140 LYS CA . 18448 1 480 . 1 1 140 140 LYS CB C 13 32.838 0.414 . 1 . . . . 140 LYS CB . 18448 1 481 . 1 1 140 140 LYS N N 15 125.88 0.095 . 1 . . . . 140 LYS N . 18448 1 482 . 1 1 141 141 GLY H H 1 8.414 0.007 . 1 . . . . 141 GLY H . 18448 1 483 . 1 1 141 141 GLY CA C 13 45.254 0.414 . 1 . . . . 141 GLY CA . 18448 1 484 . 1 1 141 141 GLY N N 15 110.75 0.095 . 1 . . . . 141 GLY N . 18448 1 485 . 1 1 142 142 ASP H H 1 8.152 0.007 . 1 . . . . 142 ASP H . 18448 1 486 . 1 1 142 142 ASP CA C 13 54.119 0.414 . 1 . . . . 142 ASP CA . 18448 1 487 . 1 1 142 142 ASP CB C 13 40.914 0.414 . 1 . . . . 142 ASP CB . 18448 1 488 . 1 1 142 142 ASP N N 15 120.3 0.095 . 1 . . . . 142 ASP N . 18448 1 489 . 1 1 143 143 GLU H H 1 8.35 0.007 . 1 . . . . 143 GLU H . 18448 1 490 . 1 1 143 143 GLU CA C 13 56.945 0.414 . 1 . . . . 143 GLU CA . 18448 1 491 . 1 1 143 143 GLU CB C 13 29.929 0.414 . 1 . . . . 143 GLU CB . 18448 1 492 . 1 1 143 143 GLU N N 15 121.12 0.095 . 1 . . . . 143 GLU N . 18448 1 493 . 1 1 144 144 LYS H H 1 8.238 0.007 . 1 . . . . 144 LYS H . 18448 1 494 . 1 1 144 144 LYS CA C 13 56.119 0.414 . 1 . . . . 144 LYS CA . 18448 1 495 . 1 1 144 144 LYS CB C 13 32.645 0.414 . 1 . . . . 144 LYS CB . 18448 1 496 . 1 1 144 144 LYS N N 15 122.49 0.095 . 1 . . . . 144 LYS N . 18448 1 497 . 1 1 145 145 MET H H 1 7.887 0.007 . 1 . . . . 145 MET H . 18448 1 498 . 1 1 145 145 MET CA C 13 56.925 0.414 . 1 . . . . 145 MET CA . 18448 1 499 . 1 1 145 145 MET CB C 13 33.544 0.414 . 1 . . . . 145 MET CB . 18448 1 500 . 1 1 145 145 MET N N 15 127.11 0.095 . 1 . . . . 145 MET N . 18448 1 stop_ save_