data_27185 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27185 _Entry.Title ; ProXp-ala free form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-20 _Entry.Accession_date 2017-07-20 _Entry.Last_release_date 2017-07-21 _Entry.Original_release_date 2017-07-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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.ORCID _Entry_author.Entry_ID 1 Eric Danhart . . . . 27185 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27185 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 27185 '15N chemical shifts' 156 27185 '1H chemical shifts' 156 27185 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 . . 2017-11-02 2017-07-20 update BMRB 'update entry citation' 27185 1 . . 2017-08-21 2017-07-20 original author 'original release' 27185 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27191 'ProXp-ala bound to microhelixPro' 27185 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27185 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1703925114 _Citation.PubMed_ID 28768811 _Citation.Full_citation . _Citation.Title ; Conformational and chemical selection by a trans-acting editing domain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 114 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 E6774 _Citation.Page_last E6783 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eric Danhart E. M. . . 27185 1 2 Marina Bakhtina M. . . . 27185 1 3 William Cantara W. A. . . 27185 1 4 Alexandra Kuzmishin A. B. . . 27185 1 5 Xiao Ma X. . . . 27185 1 6 Brianne Sanford B. L. . . 27185 1 7 Marija Kosutic M. . . . 27185 1 8 Yuki Goto Y. . . . 27185 1 9 Hiroaki Suga H. . . . 27185 1 10 Kotaro Nakanishi K. . . . 27185 1 11 Ronald Micura R. . . . 27185 1 12 Mark Foster M. P. . . 27185 1 13 Karin Musier-Forsyth K. . . . 27185 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 27185 1 'aminoacyl-tRNA synthetases' 27185 1 'conformational selection' 27185 1 'molecular dynamics' 27185 1 trans-editing 27185 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27185 _Assembly.ID 1 _Assembly.Name ProXp-ala _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 ProXp-ala 1 $ProXp-ala A . yes native no no . . . 27185 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ProXp-ala _Entity.Sf_category entity _Entity.Sf_framecode ProXp-ala _Entity.Entry_ID 27185 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ProXp-ala _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 ; GSHMKTRADLFAFFDAHGVD HKTLDHPPVFRVEEGLEIKA AMPGGHTKNLFLKDAKGQLW LISALGETTIDLKKLHHVIG SGRLSFGPQEMMLETLGVTP GSVTAFGLINDTEKRVRFVL DKALADSDPVNFHPLKNDAT TAVSQAGLRRFLAALGVEPM IVDFAAMEVVG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 -2 GLY . 27185 1 2 -1 SER . 27185 1 3 0 HIS . 27185 1 4 1 MET . 27185 1 5 2 LYS . 27185 1 6 3 THR . 27185 1 7 4 ARG . 27185 1 8 5 ALA . 27185 1 9 6 ASP . 27185 1 10 7 LEU . 27185 1 11 8 PHE . 27185 1 12 9 ALA . 27185 1 13 10 PHE . 27185 1 14 11 PHE . 27185 1 15 12 ASP . 27185 1 16 13 ALA . 27185 1 17 14 HIS . 27185 1 18 15 GLY . 27185 1 19 16 VAL . 27185 1 20 17 ASP . 27185 1 21 18 HIS . 27185 1 22 19 LYS . 27185 1 23 20 THR . 27185 1 24 21 LEU . 27185 1 25 22 ASP . 27185 1 26 23 HIS . 27185 1 27 24 PRO . 27185 1 28 25 PRO . 27185 1 29 26 VAL . 27185 1 30 27 PHE . 27185 1 31 28 ARG . 27185 1 32 29 VAL . 27185 1 33 30 GLU . 27185 1 34 31 GLU . 27185 1 35 32 GLY . 27185 1 36 33 LEU . 27185 1 37 34 GLU . 27185 1 38 35 ILE . 27185 1 39 36 LYS . 27185 1 40 37 ALA . 27185 1 41 38 ALA . 27185 1 42 39 MET . 27185 1 43 40 PRO . 27185 1 44 41 GLY . 27185 1 45 42 GLY . 27185 1 46 43 HIS . 27185 1 47 44 THR . 27185 1 48 45 LYS . 27185 1 49 46 ASN . 27185 1 50 47 LEU . 27185 1 51 48 PHE . 27185 1 52 49 LEU . 27185 1 53 50 LYS . 27185 1 54 51 ASP . 27185 1 55 52 ALA . 27185 1 56 53 LYS . 27185 1 57 54 GLY . 27185 1 58 55 GLN . 27185 1 59 56 LEU . 27185 1 60 57 TRP . 27185 1 61 58 LEU . 27185 1 62 59 ILE . 27185 1 63 60 SER . 27185 1 64 61 ALA . 27185 1 65 62 LEU . 27185 1 66 63 GLY . 27185 1 67 64 GLU . 27185 1 68 65 THR . 27185 1 69 66 THR . 27185 1 70 67 ILE . 27185 1 71 68 ASP . 27185 1 72 69 LEU . 27185 1 73 70 LYS . 27185 1 74 71 LYS . 27185 1 75 72 LEU . 27185 1 76 73 HIS . 27185 1 77 74 HIS . 27185 1 78 75 VAL . 27185 1 79 76 ILE . 27185 1 80 77 GLY . 27185 1 81 78 SER . 27185 1 82 79 GLY . 27185 1 83 80 ARG . 27185 1 84 81 LEU . 27185 1 85 82 SER . 27185 1 86 83 PHE . 27185 1 87 84 GLY . 27185 1 88 85 PRO . 27185 1 89 86 GLN . 27185 1 90 87 GLU . 27185 1 91 88 MET . 27185 1 92 89 MET . 27185 1 93 90 LEU . 27185 1 94 91 GLU . 27185 1 95 92 THR . 27185 1 96 93 LEU . 27185 1 97 94 GLY . 27185 1 98 95 VAL . 27185 1 99 96 THR . 27185 1 100 97 PRO . 27185 1 101 98 GLY . 27185 1 102 99 SER . 27185 1 103 100 VAL . 27185 1 104 101 THR . 27185 1 105 102 ALA . 27185 1 106 103 PHE . 27185 1 107 104 GLY . 27185 1 108 105 LEU . 27185 1 109 106 ILE . 27185 1 110 107 ASN . 27185 1 111 108 ASP . 27185 1 112 109 THR . 27185 1 113 110 GLU . 27185 1 114 111 LYS . 27185 1 115 112 ARG . 27185 1 116 113 VAL . 27185 1 117 114 ARG . 27185 1 118 115 PHE . 27185 1 119 116 VAL . 27185 1 120 117 LEU . 27185 1 121 118 ASP . 27185 1 122 119 LYS . 27185 1 123 120 ALA . 27185 1 124 121 LEU . 27185 1 125 122 ALA . 27185 1 126 123 ASP . 27185 1 127 124 SER . 27185 1 128 125 ASP . 27185 1 129 126 PRO . 27185 1 130 127 VAL . 27185 1 131 128 ASN . 27185 1 132 129 PHE . 27185 1 133 130 HIS . 27185 1 134 131 PRO . 27185 1 135 132 LEU . 27185 1 136 133 LYS . 27185 1 137 134 ASN . 27185 1 138 135 ASP . 27185 1 139 136 ALA . 27185 1 140 137 THR . 27185 1 141 138 THR . 27185 1 142 139 ALA . 27185 1 143 140 VAL . 27185 1 144 141 SER . 27185 1 145 142 GLN . 27185 1 146 143 ALA . 27185 1 147 144 GLY . 27185 1 148 145 LEU . 27185 1 149 146 ARG . 27185 1 150 147 ARG . 27185 1 151 148 PHE . 27185 1 152 149 LEU . 27185 1 153 150 ALA . 27185 1 154 151 ALA . 27185 1 155 152 LEU . 27185 1 156 153 GLY . 27185 1 157 154 VAL . 27185 1 158 155 GLU . 27185 1 159 156 PRO . 27185 1 160 157 MET . 27185 1 161 158 ILE . 27185 1 162 159 VAL . 27185 1 163 160 ASP . 27185 1 164 161 PHE . 27185 1 165 162 ALA . 27185 1 166 163 ALA . 27185 1 167 164 MET . 27185 1 168 165 GLU . 27185 1 169 166 VAL . 27185 1 170 167 VAL . 27185 1 171 168 GLY . 27185 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 27185 1 . SER 2 2 27185 1 . HIS 3 3 27185 1 . MET 4 4 27185 1 . LYS 5 5 27185 1 . THR 6 6 27185 1 . ARG 7 7 27185 1 . ALA 8 8 27185 1 . ASP 9 9 27185 1 . LEU 10 10 27185 1 . PHE 11 11 27185 1 . ALA 12 12 27185 1 . PHE 13 13 27185 1 . PHE 14 14 27185 1 . ASP 15 15 27185 1 . ALA 16 16 27185 1 . HIS 17 17 27185 1 . GLY 18 18 27185 1 . VAL 19 19 27185 1 . ASP 20 20 27185 1 . HIS 21 21 27185 1 . LYS 22 22 27185 1 . THR 23 23 27185 1 . LEU 24 24 27185 1 . ASP 25 25 27185 1 . HIS 26 26 27185 1 . PRO 27 27 27185 1 . PRO 28 28 27185 1 . VAL 29 29 27185 1 . PHE 30 30 27185 1 . ARG 31 31 27185 1 . VAL 32 32 27185 1 . GLU 33 33 27185 1 . GLU 34 34 27185 1 . GLY 35 35 27185 1 . LEU 36 36 27185 1 . GLU 37 37 27185 1 . ILE 38 38 27185 1 . LYS 39 39 27185 1 . ALA 40 40 27185 1 . ALA 41 41 27185 1 . MET 42 42 27185 1 . PRO 43 43 27185 1 . GLY 44 44 27185 1 . GLY 45 45 27185 1 . HIS 46 46 27185 1 . THR 47 47 27185 1 . LYS 48 48 27185 1 . ASN 49 49 27185 1 . LEU 50 50 27185 1 . PHE 51 51 27185 1 . LEU 52 52 27185 1 . LYS 53 53 27185 1 . ASP 54 54 27185 1 . ALA 55 55 27185 1 . LYS 56 56 27185 1 . GLY 57 57 27185 1 . GLN 58 58 27185 1 . LEU 59 59 27185 1 . TRP 60 60 27185 1 . LEU 61 61 27185 1 . ILE 62 62 27185 1 . SER 63 63 27185 1 . ALA 64 64 27185 1 . LEU 65 65 27185 1 . GLY 66 66 27185 1 . GLU 67 67 27185 1 . THR 68 68 27185 1 . THR 69 69 27185 1 . ILE 70 70 27185 1 . ASP 71 71 27185 1 . LEU 72 72 27185 1 . LYS 73 73 27185 1 . LYS 74 74 27185 1 . LEU 75 75 27185 1 . HIS 76 76 27185 1 . HIS 77 77 27185 1 . VAL 78 78 27185 1 . ILE 79 79 27185 1 . GLY 80 80 27185 1 . SER 81 81 27185 1 . GLY 82 82 27185 1 . ARG 83 83 27185 1 . LEU 84 84 27185 1 . SER 85 85 27185 1 . PHE 86 86 27185 1 . GLY 87 87 27185 1 . PRO 88 88 27185 1 . GLN 89 89 27185 1 . GLU 90 90 27185 1 . MET 91 91 27185 1 . MET 92 92 27185 1 . LEU 93 93 27185 1 . GLU 94 94 27185 1 . THR 95 95 27185 1 . LEU 96 96 27185 1 . GLY 97 97 27185 1 . VAL 98 98 27185 1 . THR 99 99 27185 1 . PRO 100 100 27185 1 . GLY 101 101 27185 1 . SER 102 102 27185 1 . VAL 103 103 27185 1 . THR 104 104 27185 1 . ALA 105 105 27185 1 . PHE 106 106 27185 1 . GLY 107 107 27185 1 . LEU 108 108 27185 1 . ILE 109 109 27185 1 . ASN 110 110 27185 1 . ASP 111 111 27185 1 . THR 112 112 27185 1 . GLU 113 113 27185 1 . LYS 114 114 27185 1 . ARG 115 115 27185 1 . VAL 116 116 27185 1 . ARG 117 117 27185 1 . PHE 118 118 27185 1 . VAL 119 119 27185 1 . LEU 120 120 27185 1 . ASP 121 121 27185 1 . LYS 122 122 27185 1 . ALA 123 123 27185 1 . LEU 124 124 27185 1 . ALA 125 125 27185 1 . ASP 126 126 27185 1 . SER 127 127 27185 1 . ASP 128 128 27185 1 . PRO 129 129 27185 1 . VAL 130 130 27185 1 . ASN 131 131 27185 1 . PHE 132 132 27185 1 . HIS 133 133 27185 1 . PRO 134 134 27185 1 . LEU 135 135 27185 1 . LYS 136 136 27185 1 . ASN 137 137 27185 1 . ASP 138 138 27185 1 . ALA 139 139 27185 1 . THR 140 140 27185 1 . THR 141 141 27185 1 . ALA 142 142 27185 1 . VAL 143 143 27185 1 . SER 144 144 27185 1 . GLN 145 145 27185 1 . ALA 146 146 27185 1 . GLY 147 147 27185 1 . LEU 148 148 27185 1 . ARG 149 149 27185 1 . ARG 150 150 27185 1 . PHE 151 151 27185 1 . LEU 152 152 27185 1 . ALA 153 153 27185 1 . ALA 154 154 27185 1 . LEU 155 155 27185 1 . GLY 156 156 27185 1 . VAL 157 157 27185 1 . GLU 158 158 27185 1 . PRO 159 159 27185 1 . MET 160 160 27185 1 . ILE 161 161 27185 1 . VAL 162 162 27185 1 . ASP 163 163 27185 1 . PHE 164 164 27185 1 . ALA 165 165 27185 1 . ALA 166 166 27185 1 . MET 167 167 27185 1 . GLU 168 168 27185 1 . VAL 169 169 27185 1 . VAL 170 170 27185 1 . GLY 171 171 27185 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 27185 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ProXp-ala . 155892 organism . 'Caulobacter crescentus' 'Caulobacter vibrioides' . . Bacteria . Caulobacter crescentus . . . . . . . . . . . . . 27185 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 27185 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ProXp-ala . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 27185 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27185 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ProXp-ala _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 ProXp-ala '[U-100% 13C; U-100% 15N]' . . 1 $ProXp-ala . . 0.7 . . mM . . . . 27185 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 27185 _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' 0.16 . M 27185 1 pH 7.5 . pH 27185 1 pressure 1 . atm 27185 1 temperature 298 . K 27185 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27185 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27185 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27185 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27185 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27185 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27185 3 'data analysis' 27185 3 'peak picking' 27185 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27185 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27185 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27185 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27185 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27185 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 27185 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 27185 _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 . . . . . . . . . . . . . . . . 27185 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27185 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27185 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27185 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27185 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27185 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 27185 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27185 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27185 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27185 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 27185 _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 2 '3D CBCA(CO)NH' . . . 27185 1 3 '3D HNCO' . . . 27185 1 4 '3D HNCA' . . . 27185 1 5 '3D HNCACB' . . . 27185 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.Ambiguity_set_ID _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 3 3 HIS CA C 13 53.2371 0.0000 . 1 . . 65573 . . 0 HIS CA . 27185 1 2 . 1 1 3 3 HIS CB C 13 28.0191 0.0000 . 1 . . 65576 . . 0 HIS CB . 27185 1 3 . 1 1 4 4 MET H H 1 8.2004 0.0000 . 1 . . 64612 . . 1 MET H . 27185 1 4 . 1 1 4 4 MET CA C 13 55.3864 0.0000 . 1 . . 63194 . . 1 MET CA . 27185 1 5 . 1 1 4 4 MET N N 15 122.2349 0.0000 . 1 . . 64614 . . 1 MET N . 27185 1 6 . 1 1 5 5 LYS H H 1 8.9369 0.0000 . 1 . . 63946 . . 2 LYS H . 27185 1 7 . 1 1 5 5 LYS CA C 13 56.2662 0.0000 . 1 . . 63110 . . 2 LYS CA . 27185 1 8 . 1 1 5 5 LYS N N 15 123.6043 0.0000 . 1 . . 63948 . . 2 LYS N . 27185 1 9 . 1 1 6 6 THR H H 1 9.1213 0.0000 . 1 . . 64252 . . 3 THR H . 27185 1 10 . 1 1 6 6 THR CA C 13 59.9580 0.0000 . 1 . . 63665 . . 3 THR CA . 27185 1 11 . 1 1 6 6 THR N N 15 112.4858 0.0000 . 1 . . 64254 . . 3 THR N . 27185 1 12 . 1 1 7 7 ARG H H 1 8.8440 0.0000 . 1 . . 64672 . . 4 ARG H . 27185 1 13 . 1 1 7 7 ARG CA C 13 60.0282 0.0000 . 1 . . 63248 . . 4 ARG CA . 27185 1 14 . 1 1 7 7 ARG N N 15 121.4095 0.0000 . 1 . . 64674 . . 4 ARG N . 27185 1 15 . 1 1 8 8 ALA H H 1 8.0264 0.0000 . 1 . . 64885 . . 5 ALA H . 27185 1 16 . 1 1 8 8 ALA CA C 13 55.2395 0.0000 . 1 . . 63422 . . 5 ALA CA . 27185 1 17 . 1 1 8 8 ALA N N 15 118.7584 0.0000 . 1 . . 64887 . . 5 ALA N . 27185 1 18 . 1 1 9 9 ASP H H 1 7.4708 0.0000 . 1 . . 77757 . . 6 ASP H . 27185 1 19 . 1 1 9 9 ASP CA C 13 56.9958 0.0000 . 1 . . 65528 . . 6 ASP CA . 27185 1 20 . 1 1 9 9 ASP CB C 13 38.5904 0.0000 . 1 . . 65543 . . 6 ASP CB . 27185 1 21 . 1 1 9 9 ASP N N 15 118.2632 0.0000 . 1 . . 77759 . . 6 ASP N . 27185 1 22 . 1 1 10 10 LEU H H 1 8.0244 0.0000 . 1 . . 64588 . . 7 LEU H . 27185 1 23 . 1 1 10 10 LEU CA C 13 57.7128 0.0000 . 1 . . 63170 . . 7 LEU CA . 27185 1 24 . 1 1 10 10 LEU N N 15 122.8644 0.0000 . 1 . . 64590 . . 7 LEU N . 27185 1 25 . 1 1 11 11 PHE H H 1 7.9973 0.0000 . 1 . . 65008 . . 8 PHE H . 27185 1 26 . 1 1 11 11 PHE CA C 13 58.2735 0.0000 . 1 . . 63815 . . 8 PHE CA . 27185 1 27 . 1 1 11 11 PHE N N 15 117.2390 0.0000 . 1 . . 65010 . . 8 PHE N . 27185 1 28 . 1 1 12 12 ALA H H 1 7.9333 0.0000 . 1 . . 69389 . . 9 ALA H . 27185 1 29 . 1 1 12 12 ALA CA C 13 55.2324 0.0000 . 1 . . 69399 . . 9 ALA CA . 27185 1 30 . 1 1 12 12 ALA N N 15 121.3546 0.0000 . 1 . . 69391 . . 9 ALA N . 27185 1 31 . 1 1 13 13 PHE H H 1 8.0538 0.0000 . 1 . . 64591 . . 10 PHE H . 27185 1 32 . 1 1 13 13 PHE CA C 13 62.1024 0.0000 . 1 . . 63149 . . 10 PHE CA . 27185 1 33 . 1 1 13 13 PHE N N 15 122.9286 0.0000 . 1 . . 64593 . . 10 PHE N . 27185 1 34 . 1 1 14 14 PHE H H 1 8.8781 0.0000 . 1 . . 71035 . . 11 PHE H . 27185 1 35 . 1 1 14 14 PHE CA C 13 57.3444 0.0000 . 1 . . 71051 . . 11 PHE CA . 27185 1 36 . 1 1 14 14 PHE N N 15 118.6125 0.0000 . 1 . . 71037 . . 11 PHE N . 27185 1 37 . 1 1 15 15 ASP H H 1 8.7133 0.0000 . 1 . . 64762 . . 12 ASP H . 27185 1 38 . 1 1 15 15 ASP CA C 13 57.3854 0.0000 . 1 . . 63329 . . 12 ASP CA . 27185 1 39 . 1 1 15 15 ASP N N 15 119.9619 0.0000 . 1 . . 64764 . . 12 ASP N . 27185 1 40 . 1 1 16 16 ALA H H 1 8.0797 0.0000 . 1 . . 68555 . . 13 ALA H . 27185 1 41 . 1 1 16 16 ALA CA C 13 54.1326 0.0000 . 1 . . 66071 . . 13 ALA CA . 27185 1 42 . 1 1 16 16 ALA CB C 13 15.1651 0.0000 . 1 . . 66077 . . 13 ALA CB . 27185 1 43 . 1 1 16 16 ALA N N 15 122.0956 0.0000 . 1 . . 68557 . . 13 ALA N . 27185 1 44 . 1 1 17 17 HIS H H 1 7.4235 0.0000 . 1 . . 65119 . . 14 HIS H . 27185 1 45 . 1 1 17 17 HIS CA C 13 56.5971 0.0000 . 1 . . 63653 . . 14 HIS CA . 27185 1 46 . 1 1 17 17 HIS N N 15 113.4828 0.0000 . 1 . . 65121 . . 14 HIS N . 27185 1 47 . 1 1 18 18 GLY H H 1 7.6500 0.0000 . 1 . . 64288 . . 15 GLY H . 27185 1 48 . 1 1 18 18 GLY CA C 13 47.2935 0.0000 . 1 . . 63737 . . 15 GLY CA . 27185 1 49 . 1 1 18 18 GLY N N 15 108.5116 0.0000 . 1 . . 64290 . . 15 GLY N . 27185 1 50 . 1 1 19 19 VAL H H 1 8.7611 0.0000 . 1 . . 76202 . . 16 VAL H . 27185 1 51 . 1 1 19 19 VAL CA C 13 62.6274 0.0000 . 1 . . 76080 . . 16 VAL CA . 27185 1 52 . 1 1 19 19 VAL CB C 13 28.9095 0.0000 . 1 . . 65324 . . 16 VAL CB . 27185 1 53 . 1 1 19 19 VAL N N 15 122.8818 0.0000 . 1 . . 76204 . . 16 VAL N . 27185 1 54 . 1 1 20 20 ASP H H 1 8.3995 0.0000 . 1 . . 63862 . . 17 ASP H . 27185 1 55 . 1 1 20 20 ASP CA C 13 53.7979 0.0000 . 1 . . 62963 . . 17 ASP CA . 27185 1 56 . 1 1 20 20 ASP N N 15 127.9635 0.0000 . 1 . . 63864 . . 17 ASP N . 27185 1 57 . 1 1 21 21 HIS H H 1 7.7675 0.0000 . 1 . . 65116 . . 18 HIS H . 27185 1 58 . 1 1 21 21 HIS CA C 13 53.9588 0.0000 . 1 . . 63650 . . 18 HIS CA . 27185 1 59 . 1 1 21 21 HIS N N 15 113.7546 0.0000 . 1 . . 65118 . . 18 HIS N . 27185 1 60 . 1 1 22 22 LYS H H 1 8.1632 0.0000 . 1 . . 64657 . . 19 LYS H . 27185 1 61 . 1 1 22 22 LYS CA C 13 55.8851 0.0000 . 1 . . 63227 . . 19 LYS CA . 27185 1 62 . 1 1 22 22 LYS N N 15 121.9614 0.0000 . 1 . . 64659 . . 19 LYS N . 27185 1 63 . 1 1 23 23 THR H H 1 8.7870 0.0000 . 1 . . 67803 . . 20 THR H . 27185 1 64 . 1 1 23 23 THR CA C 13 63.1399 0.0000 . 1 . . 67810 . . 20 THR CA . 27185 1 65 . 1 1 23 23 THR N N 15 123.1246 0.0000 . 1 . . 67805 . . 20 THR N . 27185 1 66 . 1 1 24 24 LEU H H 1 9.3371 0.0000 . 1 . . 64312 . . 21 LEU H . 27185 1 67 . 1 1 24 24 LEU CA C 13 53.6919 0.0000 . 1 . . 63782 . . 21 LEU CA . 27185 1 68 . 1 1 24 24 LEU N N 15 131.7124 0.0000 . 1 . . 64314 . . 21 LEU N . 27185 1 69 . 1 1 25 25 ASP H H 1 8.5806 0.0000 . 1 . . 64405 . . 22 ASP H . 27185 1 70 . 1 1 25 25 ASP CA C 13 54.7062 0.0000 . 1 . . 62987 . . 22 ASP CA . 27185 1 71 . 1 1 25 25 ASP N N 15 126.6085 0.0000 . 1 . . 64407 . . 22 ASP N . 27185 1 72 . 1 1 26 26 HIS H H 1 7.9736 0.0000 . 1 . . . . . 23 HIS H . 27185 1 73 . 1 1 26 26 HIS C C 13 178.4573 0.0000 . 1 . . . . . 23 HIS C . 27185 1 74 . 1 1 26 26 HIS N N 15 118.9935 0.0000 . 1 . . . . . 23 HIS N . 27185 1 75 . 1 1 28 28 PRO CA C 13 60.4346 0.0000 . 1 . . 65621 . . 25 PRO CA . 27185 1 76 . 1 1 28 28 PRO CB C 13 28.9977 0.0000 . 1 . . 65633 . . 25 PRO CB . 27185 1 77 . 1 1 29 29 VAL H H 1 7.9732 0.0000 . 1 . . 65620 . . 26 VAL H . 27185 1 78 . 1 1 29 29 VAL CA C 13 62.2795 0.0000 . 1 . . 63242 . . 26 VAL CA . 27185 1 79 . 1 1 29 29 VAL N N 15 121.8781 0.0000 . 1 . . 65622 . . 26 VAL N . 27185 1 80 . 1 1 30 30 PHE H H 1 9.0054 0.0000 . 1 . . 63907 . . 27 PHE H . 27185 1 81 . 1 1 30 30 PHE CA C 13 58.4203 0.0000 . 1 . . 63044 . . 27 PHE CA . 27185 1 82 . 1 1 30 30 PHE N N 15 124.9348 0.0000 . 1 . . 63909 . . 27 PHE N . 27185 1 83 . 1 1 31 31 ARG H H 1 8.1698 0.0000 . 1 . . 75875 . . 28 ARG H . 27185 1 84 . 1 1 31 31 ARG CA C 13 54.9079 0.0000 . 1 . . 75885 . . 28 ARG CA . 27185 1 85 . 1 1 31 31 ARG N N 15 119.7563 0.0000 . 1 . . 75877 . . 28 ARG N . 27185 1 86 . 1 1 32 32 VAL H H 1 8.6979 0.0000 . 1 . . 63979 . . 29 VAL H . 27185 1 87 . 1 1 32 32 VAL CA C 13 65.4800 0.0000 . 1 . . 63176 . . 29 VAL CA . 27185 1 88 . 1 1 32 32 VAL N N 15 122.4209 0.0000 . 1 . . 63981 . . 29 VAL N . 27185 1 89 . 1 1 33 33 GLU H H 1 9.6821 0.0000 . 1 . . 64054 . . 30 GLU H . 27185 1 90 . 1 1 33 33 GLU CA C 13 59.8308 0.0000 . 1 . . 63314 . . 30 GLU CA . 27185 1 91 . 1 1 33 33 GLU N N 15 120.4024 0.0000 . 1 . . 64056 . . 30 GLU N . 27185 1 92 . 1 1 34 34 GLU H H 1 7.6548 0.0000 . 1 . . . . . 31 GLU H . 27185 1 93 . 1 1 34 34 GLU CA C 13 57.7466 0.0000 . 1 . . 63812 . . 31 GLU CA . 27185 1 94 . 1 1 34 34 GLU CB C 13 27.3192 0.0000 . 1 . . . . . 31 GLU CB . 27185 1 95 . 1 1 34 34 GLU N N 15 118.3834 0.0000 . 1 . . . . . 31 GLU N . 27185 1 96 . 1 1 35 35 GLY H H 1 7.9886 0.0000 . 1 . . 64300 . . 32 GLY H . 27185 1 97 . 1 1 35 35 GLY CA C 13 46.4875 0.0000 . 1 . . 63818 . . 32 GLY CA . 27185 1 98 . 1 1 35 35 GLY N N 15 107.1829 0.0000 . 1 . . 64302 . . 32 GLY N . 27185 1 99 . 1 1 36 36 LEU H H 1 7.8644 0.0000 . 1 . . 64033 . . 33 LEU H . 27185 1 100 . 1 1 36 36 LEU CA C 13 57.7846 0.0000 . 1 . . 63266 . . 33 LEU CA . 27185 1 101 . 1 1 36 36 LEU N N 15 121.2895 0.0000 . 1 . . 64035 . . 33 LEU N . 27185 1 102 . 1 1 37 37 GLU H H 1 8.1728 0.0000 . 1 . . 75899 . . 34 GLU H . 27185 1 103 . 1 1 37 37 GLU CA C 13 58.9321 0.0000 . 1 . . 75903 . . 34 GLU CA . 27185 1 104 . 1 1 37 37 GLU N N 15 119.4824 0.0000 . 1 . . 75901 . . 34 GLU N . 27185 1 105 . 1 1 38 38 ILE H H 1 7.3606 0.0000 . 1 . . 64036 . . 35 ILE H . 27185 1 106 . 1 1 38 38 ILE CA C 13 63.9606 0.0000 . 1 . . 63275 . . 35 ILE CA . 27185 1 107 . 1 1 38 38 ILE N N 15 121.0010 0.0000 . 1 . . 64038 . . 35 ILE N . 27185 1 108 . 1 1 39 39 LYS H H 1 7.4924 0.0000 . 1 . . 80297 . . 36 LYS H . 27185 1 109 . 1 1 39 39 LYS CA C 13 59.0089 0.0000 . 1 . . 80319 . . 36 LYS CA . 27185 1 110 . 1 1 39 39 LYS N N 15 118.4272 0.0000 . 1 . . 80299 . . 36 LYS N . 27185 1 111 . 1 1 40 40 ALA H H 1 7.5115 0.0000 . 1 . . 80321 . . 37 ALA H . 27185 1 112 . 1 1 40 40 ALA CA C 13 53.7592 0.0000 . 1 . . 80328 . . 37 ALA CA . 27185 1 113 . 1 1 40 40 ALA N N 15 118.4223 0.0000 . 1 . . 80323 . . 37 ALA N . 27185 1 114 . 1 1 41 41 ALA H H 1 7.3877 0.0000 . 1 . . 64114 . . 38 ALA H . 27185 1 115 . 1 1 41 41 ALA CA C 13 52.7538 0.0000 . 1 . . 63413 . . 38 ALA CA . 27185 1 116 . 1 1 41 41 ALA N N 15 118.8012 0.0000 . 1 . . 64116 . . 38 ALA N . 27185 1 117 . 1 1 42 42 MET H H 1 7.6081 0.0000 . 1 . . 64162 . . 39 MET H . 27185 1 118 . 1 1 42 42 MET CA C 13 52.6741 0.0000 . 1 . . 63506 . . 39 MET CA . 27185 1 119 . 1 1 42 42 MET N N 15 118.0430 0.0000 . 1 . . 64164 . . 39 MET N . 27185 1 120 . 1 1 43 43 PRO CA C 13 59.8445 0.0000 . 1 . . 66197 . . 40 PRO CA . 27185 1 121 . 1 1 43 43 PRO CB C 13 30.6156 0.0000 . 1 . . . . . 40 PRO CB . 27185 1 122 . 1 1 44 44 GLY H H 1 8.6069 0.0000 . 1 . . 64303 . . 41 GLY H . 27185 1 123 . 1 1 44 44 GLY CA C 13 43.8117 0.0000 . 1 . . 63770 . . 41 GLY CA . 27185 1 124 . 1 1 44 44 GLY N N 15 106.7884 0.0000 . 1 . . 64305 . . 41 GLY N . 27185 1 125 . 1 1 45 45 GLY H H 1 8.7364 0.0000 . 1 . . 64318 . . 42 GLY H . 27185 1 126 . 1 1 45 45 GLY CA C 13 46.7179 0.0000 . 1 . . 63785 . . 42 GLY CA . 27185 1 127 . 1 1 45 45 GLY N N 15 105.5254 0.0000 . 1 . . 64320 . . 42 GLY N . 27185 1 128 . 1 1 46 46 HIS H H 1 9.1964 0.0000 . 1 . . 63853 . . 43 HIS H . 27185 1 129 . 1 1 46 46 HIS CA C 13 57.3995 0.0000 . 1 . . 62936 . . 43 HIS CA . 27185 1 130 . 1 1 46 46 HIS N N 15 129.0677 0.0000 . 1 . . 63855 . . 43 HIS N . 27185 1 131 . 1 1 47 47 THR H H 1 8.2563 0.0000 . 1 . . 64270 . . 44 THR H . 27185 1 132 . 1 1 47 47 THR CA C 13 61.4658 0.0000 . 1 . . 63698 . . 44 THR CA . 27185 1 133 . 1 1 47 47 THR N N 15 109.7051 0.0000 . 1 . . 64272 . . 44 THR N . 27185 1 134 . 1 1 48 48 LYS H H 1 9.1882 0.0000 . 1 . . 73219 . . 45 LYS H . 27185 1 135 . 1 1 48 48 LYS CA C 13 54.8670 0.0000 . 1 . . 73229 . . 45 LYS CA . 27185 1 136 . 1 1 48 48 LYS N N 15 118.8368 0.0000 . 1 . . 73221 . . 45 LYS N . 27185 1 137 . 1 1 49 49 ASN H H 1 8.3549 0.0000 . 1 . . 64753 . . 46 ASN H . 27185 1 138 . 1 1 49 49 ASN CA C 13 52.7333 0.0000 . 1 . . 63317 . . 46 ASN CA . 27185 1 139 . 1 1 49 49 ASN N N 15 120.3213 0.0000 . 1 . . 64755 . . 46 ASN N . 27185 1 140 . 1 1 50 50 LEU H H 1 9.7365 0.0000 . 1 . . 63925 . . 47 LEU H . 27185 1 141 . 1 1 50 50 LEU CA C 13 54.3707 0.0000 . 1 . . 63080 . . 47 LEU CA . 27185 1 142 . 1 1 50 50 LEU N N 15 124.0895 0.0000 . 1 . . 63927 . . 47 LEU N . 27185 1 143 . 1 1 51 51 PHE H H 1 9.4652 0.0000 . 1 . . 79278 . . 48 PHE H . 27185 1 144 . 1 1 51 51 PHE CA C 13 57.0495 0.0000 . 1 . . 79285 . . 48 PHE CA . 27185 1 145 . 1 1 51 51 PHE N N 15 125.4343 0.0000 . 1 . . 79280 . . 48 PHE N . 27185 1 146 . 1 1 52 52 LEU H H 1 9.4446 0.0000 . 1 . . 63850 . . 49 LEU H . 27185 1 147 . 1 1 52 52 LEU CA C 13 53.3252 0.0000 . 1 . . 62945 . . 49 LEU CA . 27185 1 148 . 1 1 52 52 LEU N N 15 129.0133 0.0000 . 1 . . 63852 . . 49 LEU N . 27185 1 149 . 1 1 53 53 LYS H H 1 8.7082 0.0000 . 1 . . 64078 . . 50 LYS H . 27185 1 150 . 1 1 53 53 LYS CA C 13 54.5416 0.0000 . 1 . . 63350 . . 50 LYS CA . 27185 1 151 . 1 1 53 53 LYS N N 15 119.5177 0.0000 . 1 . . 64080 . . 50 LYS N . 27185 1 152 . 1 1 54 54 ASP H H 1 9.1540 0.0000 . 1 . . 79479 . . 51 ASP H . 27185 1 153 . 1 1 54 54 ASP CA C 13 51.4362 0.0000 . 1 . . 79834 . . 51 ASP CA . 27185 1 154 . 1 1 54 54 ASP CB C 13 41.1429 0.0000 . 1 . . . . . 51 ASP CB . 27185 1 155 . 1 1 54 54 ASP N N 15 126.2392 0.0000 . 1 . . 79481 . . 51 ASP N . 27185 1 156 . 1 1 55 55 ALA H H 1 7.7268 0.0000 . 1 . . 79824 . . 52 ALA H . 27185 1 157 . 1 1 55 55 ALA CA C 13 54.2175 0.0000 . 1 . . 79831 . . 52 ALA CA . 27185 1 158 . 1 1 55 55 ALA N N 15 118.5378 0.0000 . 1 . . 79826 . . 52 ALA N . 27185 1 159 . 1 1 56 56 LYS H H 1 8.2682 0.0000 . 1 . . 79944 . . 53 LYS H . 27185 1 160 . 1 1 56 56 LYS CA C 13 55.7385 0.0000 . 1 . . 79948 . . 53 LYS CA . 27185 1 161 . 1 1 56 56 LYS N N 15 116.4827 0.0000 . 1 . . 79946 . . 53 LYS N . 27185 1 162 . 1 1 57 57 GLY H H 1 8.1945 0.0000 . 1 . . 64282 . . 54 GLY H . 27185 1 163 . 1 1 57 57 GLY CA C 13 45.1382 0.0000 . 1 . . 78337 . . 54 GLY CA . 27185 1 164 . 1 1 57 57 GLY N N 15 108.6031 0.0000 . 1 . . 64284 . . 54 GLY N . 27185 1 165 . 1 1 58 58 GLN H H 1 8.3098 0.0000 . 1 . . 78318 . . 55 GLN H . 27185 1 166 . 1 1 58 58 GLN CA C 13 54.9920 0.0000 . 1 . . 78322 . . 55 GLN CA . 27185 1 167 . 1 1 58 58 GLN N N 15 122.8987 0.0000 . 1 . . 78320 . . 55 GLN N . 27185 1 168 . 1 1 59 59 LEU H H 1 8.1614 0.0000 . 1 . . 78466 . . 56 LEU H . 27185 1 169 . 1 1 59 59 LEU CA C 13 53.9616 0.0000 . 1 . . 78473 . . 56 LEU CA . 27185 1 170 . 1 1 59 59 LEU N N 15 125.7074 0.0000 . 1 . . 78468 . . 56 LEU N . 27185 1 171 . 1 1 60 60 TRP H H 1 9.0208 0.0000 . 1 . . 79019 . . 57 TRP H . 27185 1 172 . 1 1 60 60 TRP CA C 13 56.1366 0.0000 . 1 . . 79038 . . 57 TRP CA . 27185 1 173 . 1 1 60 60 TRP N N 15 122.0051 0.0000 . 1 . . 79021 . . 57 TRP N . 27185 1 174 . 1 1 61 61 LEU H H 1 9.3183 0.0000 . 1 . . 79159 . . 58 LEU H . 27185 1 175 . 1 1 61 61 LEU CA C 13 53.1165 0.0000 . 1 . . 79148 . . 58 LEU CA . 27185 1 176 . 1 1 61 61 LEU N N 15 123.6665 0.0000 . 1 . . 79161 . . 58 LEU N . 27185 1 177 . 1 1 62 62 ILE H H 1 9.3489 0.0000 . 1 . . 79254 . . 59 ILE H . 27185 1 178 . 1 1 62 62 ILE CA C 13 59.2513 0.0000 . 1 . . 79261 . . 59 ILE CA . 27185 1 179 . 1 1 62 62 ILE N N 15 125.4407 0.0000 . 1 . . 79256 . . 59 ILE N . 27185 1 180 . 1 1 63 63 SER H H 1 8.8601 0.0000 . 1 . . 79375 . . 60 SER H . 27185 1 181 . 1 1 63 63 SER CA C 13 62.2318 0.0000 . 1 . . 79367 . . 60 SER CA . 27185 1 182 . 1 1 63 63 SER N N 15 124.0694 0.0000 . 1 . . 79377 . . 60 SER N . 27185 1 183 . 1 1 64 64 ALA H H 1 9.1354 0.0000 . 1 . . 79455 . . 61 ALA H . 27185 1 184 . 1 1 64 64 ALA CA C 13 49.7237 0.0000 . 1 . . 79465 . . 61 ALA CA . 27185 1 185 . 1 1 64 64 ALA N N 15 126.3404 0.0000 . 1 . . 79457 . . 61 ALA N . 27185 1 186 . 1 1 65 65 LEU H H 1 8.9672 0.0000 . 1 . . 79043 . . 62 LEU H . 27185 1 187 . 1 1 65 65 LEU CA C 13 55.4772 0.0000 . 1 . . 79050 . . 62 LEU CA . 27185 1 188 . 1 1 65 65 LEU N N 15 121.9801 0.0000 . 1 . . 79045 . . 62 LEU N . 27185 1 189 . 1 1 66 66 GLY H H 1 8.6694 0.0000 . 1 . . 79544 . . 63 GLY H . 27185 1 190 . 1 1 66 66 GLY CA C 13 47.7773 0.0000 . 1 . . 79554 . . 63 GLY CA . 27185 1 191 . 1 1 66 66 GLY N N 15 109.8107 0.0000 . 1 . . 79546 . . 63 GLY N . 27185 1 192 . 1 1 67 67 GLU H H 1 8.2401 0.0000 . 1 . . 76593 . . 64 GLU H . 27185 1 193 . 1 1 67 67 GLU CA C 13 57.0584 0.0000 . 1 . . 76600 . . 64 GLU CA . 27185 1 194 . 1 1 67 67 GLU N N 15 115.4312 0.0000 . 1 . . 76595 . . 64 GLU N . 27185 1 195 . 1 1 68 68 THR H H 1 7.7073 0.0000 . 1 . . 64039 . . 65 THR H . 27185 1 196 . 1 1 68 68 THR CA C 13 63.5456 0.0000 . 1 . . 80505 . . 65 THR CA . 27185 1 197 . 1 1 68 68 THR N N 15 120.9979 0.0000 . 1 . . 64041 . . 65 THR N . 27185 1 198 . 1 1 69 69 THR CA C 13 60.4068 0.0000 . 1 . . 65315 . . 66 THR CA . 27185 1 199 . 1 1 69 69 THR CB C 13 65.9694 0.0000 . 1 . . 65312 . . 66 THR CB . 27185 1 200 . 1 1 70 70 ILE H H 1 8.7150 0.0000 . 1 . . 64378 . . 67 ILE H . 27185 1 201 . 1 1 70 70 ILE CA C 13 60.3267 0.0000 . 1 . . 63824 . . 67 ILE CA . 27185 1 202 . 1 1 70 70 ILE N N 15 127.9200 0.0000 . 1 . . 64380 . . 67 ILE N . 27185 1 203 . 1 1 71 71 ASP H H 1 8.7927 0.0000 . 1 . . 63859 . . 68 ASP H . 27185 1 204 . 1 1 71 71 ASP CA C 13 52.3973 0.0000 . 1 . . 62957 . . 68 ASP CA . 27185 1 205 . 1 1 71 71 ASP N N 15 128.0976 0.0000 . 1 . . 63861 . . 68 ASP N . 27185 1 206 . 1 1 72 72 LEU H H 1 8.5567 0.0000 . 1 . . 76641 . . 69 LEU H . 27185 1 207 . 1 1 72 72 LEU CA C 13 57.6154 0.0000 . 1 . . 76648 . . 69 LEU CA . 27185 1 208 . 1 1 72 72 LEU N N 15 125.3564 0.0000 . 1 . . 76643 . . 69 LEU N . 27185 1 209 . 1 1 73 73 LYS H H 1 8.2648 0.0000 . 1 . . 65047 . . 70 LYS H . 27185 1 210 . 1 1 73 73 LYS CA C 13 58.7007 0.0000 . 1 . . 66053 . . 70 LYS CA . 27185 1 211 . 1 1 73 73 LYS N N 15 116.2779 0.0000 . 1 . . 65049 . . 70 LYS N . 27185 1 212 . 1 1 74 74 LYS H H 1 7.1122 0.0000 . 1 . . 65104 . . 71 LYS H . 27185 1 213 . 1 1 74 74 LYS CA C 13 55.5734 0.0000 . 1 . . 63647 . . 71 LYS CA . 27185 1 214 . 1 1 74 74 LYS N N 15 113.8866 0.0000 . 1 . . 65106 . . 71 LYS N . 27185 1 215 . 1 1 75 75 LEU H H 1 7.4270 0.0000 . 1 . . 64819 . . 72 LEU H . 27185 1 216 . 1 1 75 75 LEU CA C 13 57.1869 0.0000 . 1 . . 80371 . . 72 LEU CA . 27185 1 217 . 1 1 75 75 LEU N N 15 118.9616 0.0000 . 1 . . 64821 . . 72 LEU N . 27185 1 218 . 1 1 76 76 HIS H H 1 8.2745 0.0000 . 1 . . 75663 . . 73 HIS H . 27185 1 219 . 1 1 76 76 HIS CA C 13 58.7399 0.0000 . 1 . . 65963 . . 73 HIS CA . 27185 1 220 . 1 1 76 76 HIS N N 15 116.2986 0.0000 . 1 . . 75665 . . 73 HIS N . 27185 1 221 . 1 1 77 77 HIS H H 1 6.2916 0.0000 . 1 . . 66700 . . 74 HIS H . 27185 1 222 . 1 1 77 77 HIS CA C 13 57.6960 0.0000 . 1 . . 63539 . . 74 HIS CA . 27185 1 223 . 1 1 77 77 HIS N N 15 116.9950 0.0000 . 1 . . 66702 . . 74 HIS N . 27185 1 224 . 1 1 78 78 VAL H H 1 7.3986 0.0000 . 1 . . 64984 . . 75 VAL H . 27185 1 225 . 1 1 78 78 VAL CA C 13 64.3139 0.0000 . 1 . . 63515 . . 75 VAL CA . 27185 1 226 . 1 1 78 78 VAL N N 15 117.7435 0.0000 . 1 . . 64986 . . 75 VAL N . 27185 1 227 . 1 1 79 79 ILE H H 1 7.0864 0.0000 . 1 . . 65215 . . 76 ILE H . 27185 1 228 . 1 1 79 79 ILE CA C 13 61.7268 0.0000 . 1 . . 63749 . . 76 ILE CA . 27185 1 229 . 1 1 79 79 ILE N N 15 133.7567 0.0000 . 1 . . 65217 . . 76 ILE N . 27185 1 230 . 1 1 80 80 GLY H H 1 7.4329 0.0000 . 1 . . 64279 . . 77 GLY H . 27185 1 231 . 1 1 80 80 GLY CA C 13 46.5211 0.0000 . 1 . . 66023 . . 77 GLY CA . 27185 1 232 . 1 1 80 80 GLY N N 15 108.6799 0.0000 . 1 . . 64281 . . 77 GLY N . 27185 1 233 . 1 1 81 81 SER H H 1 7.8121 0.0000 . 1 . . 64219 . . 78 SER H . 27185 1 234 . 1 1 81 81 SER CA C 13 63.8214 0.0000 . 1 . . 65069 . . 78 SER CA . 27185 1 235 . 1 1 81 81 SER N N 15 115.4038 0.0000 . 1 . . 64221 . . 78 SER N . 27185 1 236 . 1 1 82 82 GLY H H 1 8.1642 0.0000 . 1 . . 63856 . . 79 GLY H . 27185 1 237 . 1 1 82 82 GLY CA C 13 44.6966 0.0000 . 1 . . 62948 . . 79 GLY CA . 27185 1 238 . 1 1 82 82 GLY N N 15 102.6587 0.0000 . 1 . . 63858 . . 79 GLY N . 27185 1 239 . 1 1 83 83 ARG H H 1 8.6772 0.0000 . 1 . . 64048 . . 80 ARG H . 27185 1 240 . 1 1 83 83 ARG CA C 13 58.4752 0.0000 . 1 . . 63293 . . 80 ARG CA . 27185 1 241 . 1 1 83 83 ARG N N 15 120.8435 0.0000 . 1 . . 64050 . . 80 ARG N . 27185 1 242 . 1 1 84 84 LEU H H 1 8.7033 0.0000 . 1 . . 64453 . . 81 LEU H . 27185 1 243 . 1 1 84 84 LEU CA C 13 55.7438 0.0000 . 1 . . 63020 . . 81 LEU CA . 27185 1 244 . 1 1 84 84 LEU N N 15 126.0167 0.0000 . 1 . . 64455 . . 81 LEU N . 27185 1 245 . 1 1 85 85 SER H H 1 8.0100 0.0000 . 1 . . 65110 . . 82 SER H . 27185 1 246 . 1 1 85 85 SER CA C 13 56.7189 0.0000 . 1 . . 63641 . . 82 SER CA . 27185 1 247 . 1 1 85 85 SER N N 15 113.8814 0.0000 . 1 . . 65112 . . 82 SER N . 27185 1 248 . 1 1 87 87 GLY H H 1 9.5197 0.0000 . 1 . . . . . 84 GLY H . 27185 1 249 . 1 1 87 87 GLY C C 13 175.4956 0.0000 . 1 . . . . . 84 GLY C . 27185 1 250 . 1 1 87 87 GLY N N 15 111.0849 0.0000 . 1 . . . . . 84 GLY N . 27185 1 251 . 1 1 90 90 GLU H H 1 10.4102 0.0000 . 1 . . . . . 87 GLU H . 27185 1 252 . 1 1 90 90 GLU C C 13 174.6999 0.0000 . 1 . . . . . 87 GLU C . 27185 1 253 . 1 1 90 90 GLU CA C 13 57.6952 0.0000 . 1 . . 65972 . . 87 GLU CA . 27185 1 254 . 1 1 90 90 GLU CB C 13 25.4237 0.0000 . 1 . . 65981 . . 87 GLU CB . 27185 1 255 . 1 1 90 90 GLU N N 15 122.4090 0.0000 . 1 . . . . . 87 GLU N . 27185 1 256 . 1 1 91 91 MET H H 1 6.9899 0.0000 . 1 . . 64189 . . 88 MET H . 27185 1 257 . 1 1 91 91 MET CA C 13 57.5348 0.0000 . 1 . . 67195 . . 88 MET CA . 27185 1 258 . 1 1 91 91 MET CB C 13 30.1930 0.0000 . 1 . . 67198 . . 88 MET CB . 27185 1 259 . 1 1 91 91 MET N N 15 116.5548 0.0000 . 1 . . 64191 . . 88 MET N . 27185 1 260 . 1 1 92 92 MET H H 1 7.8654 0.0000 . 1 . . 67194 . . 89 MET H . 27185 1 261 . 1 1 92 92 MET CA C 13 59.2617 0.0000 . 1 . . 67201 . . 89 MET CA . 27185 1 262 . 1 1 92 92 MET N N 15 124.3779 0.0000 . 1 . . 67196 . . 89 MET N . 27185 1 263 . 1 1 93 93 LEU H H 1 7.7792 0.0000 . 1 . . 64051 . . 90 LEU H . 27185 1 264 . 1 1 93 93 LEU CA C 13 58.1559 0.0000 . 1 . . 63308 . . 90 LEU CA . 27185 1 265 . 1 1 93 93 LEU N N 15 120.5125 0.0000 . 1 . . 64053 . . 90 LEU N . 27185 1 266 . 1 1 94 94 GLU H H 1 7.3779 0.0000 . 1 . . 63622 . . 91 GLU H . 27185 1 267 . 1 1 94 94 GLU CA C 13 59.1282 0.0000 . 1 . . 72076 . . 91 GLU CA . 27185 1 268 . 1 1 94 94 GLU N N 15 115.2691 0.0000 . 1 . . 63624 . . 91 GLU N . 27185 1 269 . 1 1 95 95 THR H H 1 7.5674 0.0000 . 1 . . 64309 . . 92 THR H . 27185 1 270 . 1 1 95 95 THR CA C 13 63.5007 0.0000 . 1 . . 63773 . . 92 THR CA . 27185 1 271 . 1 1 95 95 THR N N 15 106.2401 0.0000 . 1 . . 64311 . . 92 THR N . 27185 1 272 . 1 1 96 96 LEU H H 1 7.3831 0.0000 . 1 . . 64231 . . 93 LEU H . 27185 1 273 . 1 1 96 96 LEU CA C 13 53.3485 0.0000 . 1 . . 63635 . . 93 LEU CA . 27185 1 274 . 1 1 96 96 LEU N N 15 114.0785 0.0000 . 1 . . 64233 . . 93 LEU N . 27185 1 275 . 1 1 97 97 GLY H H 1 7.7973 0.0000 . 1 . . 64297 . . 94 GLY H . 27185 1 276 . 1 1 97 97 GLY CA C 13 47.0765 0.0000 . 1 . . 63755 . . 94 GLY CA . 27185 1 277 . 1 1 97 97 GLY N N 15 107.4351 0.0000 . 1 . . 64299 . . 94 GLY N . 27185 1 278 . 1 1 98 98 VAL H H 1 6.5470 0.0000 . 1 . . 64306 . . 95 VAL H . 27185 1 279 . 1 1 98 98 VAL CA C 13 57.5063 0.0000 . 1 . . 63764 . . 95 VAL CA . 27185 1 280 . 1 1 98 98 VAL N N 15 132.7551 0.0000 . 1 . . 64308 . . 95 VAL N . 27185 1 281 . 1 1 99 99 THR H H 1 7.4891 0.0000 . 1 . . 64291 . . 96 THR H . 27185 1 282 . 1 1 99 99 THR CA C 13 58.4926 0.0000 . 1 . . 63740 . . 96 THR CA . 27185 1 283 . 1 1 99 99 THR N N 15 108.4147 0.0000 . 1 . . 64293 . . 96 THR N . 27185 1 284 . 1 1 101 101 GLY CA C 13 42.6796 0.0000 . 1 . . 66026 . . 98 GLY CA . 27185 1 285 . 1 1 102 102 SER H H 1 8.2569 0.0000 . 1 . . 64210 . . 99 SER H . 27185 1 286 . 1 1 102 102 SER CA C 13 61.2806 0.0000 . 1 . . 65072 . . 99 SER CA . 27185 1 287 . 1 1 102 102 SER N N 15 115.4727 0.0000 . 1 . . 64212 . . 99 SER N . 27185 1 288 . 1 1 103 103 VAL H H 1 8.0493 0.0000 . 1 . . 70430 . . 100 VAL H . 27185 1 289 . 1 1 103 103 VAL CA C 13 65.8578 0.0000 . 1 . . 70437 . . 100 VAL CA . 27185 1 290 . 1 1 103 103 VAL N N 15 119.0812 0.0000 . 1 . . 70432 . . 100 VAL N . 27185 1 291 . 1 1 104 104 THR H H 1 6.0918 0.0000 . 1 . . 64207 . . 101 THR H . 27185 1 292 . 1 1 104 104 THR CA C 13 57.5423 0.0000 . 1 . . 63593 . . 101 THR CA . 27185 1 293 . 1 1 104 104 THR N N 15 115.6836 0.0000 . 1 . . 64209 . . 101 THR N . 27185 1 294 . 1 1 105 105 ALA H H 1 5.9404 0.0000 . 1 . . 64342 . . 102 ALA H . 27185 1 295 . 1 1 105 105 ALA CA C 13 54.5930 0.0000 . 1 . . 62921 . . 102 ALA CA . 27185 1 296 . 1 1 105 105 ALA N N 15 129.6961 0.0000 . 1 . . 64344 . . 102 ALA N . 27185 1 297 . 1 1 106 106 PHE H H 1 7.5793 0.0000 . 1 . . 64249 . . 103 PHE H . 27185 1 298 . 1 1 106 106 PHE CA C 13 55.9671 0.0000 . 1 . . 63659 . . 103 PHE CA . 27185 1 299 . 1 1 106 106 PHE N N 15 112.8467 0.0000 . 1 . . 64251 . . 103 PHE N . 27185 1 300 . 1 1 107 107 GLY H H 1 7.8434 0.0000 . 1 . . 65251 . . 104 GLY H . 27185 1 301 . 1 1 107 107 GLY CA C 13 46.5088 0.0000 . 1 . . 63800 . . 104 GLY CA . 27185 1 302 . 1 1 107 107 GLY N N 15 105.2166 0.0000 . 1 . . 65253 . . 104 GLY N . 27185 1 303 . 1 1 108 108 LEU H H 1 7.5714 0.0000 . 1 . . 64060 . . 105 LEU H . 27185 1 304 . 1 1 108 108 LEU CA C 13 57.6045 0.0000 . 1 . . 75943 . . 105 LEU CA . 27185 1 305 . 1 1 108 108 LEU N N 15 120.0837 0.0000 . 1 . . 64062 . . 105 LEU N . 27185 1 306 . 1 1 109 109 ILE H H 1 7.4925 0.0000 . 1 . . 78073 . . 106 ILE H . 27185 1 307 . 1 1 109 109 ILE CA C 13 63.9309 0.0000 . 1 . . 65933 . . 106 ILE CA . 27185 1 308 . 1 1 109 109 ILE N N 15 118.3880 0.0000 . 1 . . 78075 . . 106 ILE N . 27185 1 309 . 1 1 110 110 ASN H H 1 7.8800 0.0000 . 1 . . 64165 . . 107 ASN H . 27185 1 310 . 1 1 110 110 ASN CA C 13 54.1159 0.0000 . 1 . . 63512 . . 107 ASN CA . 27185 1 311 . 1 1 110 110 ASN N N 15 117.9313 0.0000 . 1 . . 64167 . . 107 ASN N . 27185 1 312 . 1 1 111 111 ASP H H 1 7.3473 0.0000 . 1 . . 77329 . . 108 ASP H . 27185 1 313 . 1 1 111 111 ASP CA C 13 53.4778 0.0000 . 1 . . 77408 . . 108 ASP CA . 27185 1 314 . 1 1 111 111 ASP N N 15 122.7653 0.0000 . 1 . . 77331 . . 108 ASP N . 27185 1 315 . 1 1 112 112 THR H H 1 8.2718 0.0000 . 1 . . 64183 . . 109 THR H . 27185 1 316 . 1 1 112 112 THR CA C 13 65.6210 0.0000 . 1 . . 65006 . . 109 THR CA . 27185 1 317 . 1 1 112 112 THR N N 15 116.9516 0.0000 . 1 . . 64185 . . 109 THR N . 27185 1 318 . 1 1 113 113 GLU H H 1 8.8833 0.0000 . 1 . . 71011 . . 110 GLU H . 27185 1 319 . 1 1 113 113 GLU CA C 13 55.6188 0.0000 . 1 . . 71021 . . 110 GLU CA . 27185 1 320 . 1 1 113 113 GLU N N 15 118.8293 0.0000 . 1 . . 71013 . . 110 GLU N . 27185 1 321 . 1 1 114 114 LYS H H 1 7.9322 0.0000 . 1 . . 71147 . . 111 LYS H . 27185 1 322 . 1 1 114 114 LYS CA C 13 56.3043 0.0000 . 1 . . 65591 . . 111 LYS CA . 27185 1 323 . 1 1 114 114 LYS N N 15 118.6204 0.0000 . 1 . . 71149 . . 111 LYS N . 27185 1 324 . 1 1 115 115 ARG H H 1 10.3607 0.0000 . 1 . . 64006 . . 112 ARG H . 27185 1 325 . 1 1 115 115 ARG CA C 13 57.4187 0.0000 . 1 . . 63221 . . 112 ARG CA . 27185 1 326 . 1 1 115 115 ARG N N 15 122.0481 0.0000 . 1 . . 64008 . . 112 ARG N . 27185 1 327 . 1 1 116 116 VAL H H 1 9.9246 0.0000 . 1 . . 63958 . . 113 VAL H . 27185 1 328 . 1 1 116 116 VAL CA C 13 61.8176 0.0000 . 1 . . 63137 . . 113 VAL CA . 27185 1 329 . 1 1 116 116 VAL N N 15 123.1453 0.0000 . 1 . . 63960 . . 113 VAL N . 27185 1 330 . 1 1 117 117 ARG H H 1 7.7229 0.0000 . 1 . . 64393 . . 114 ARG H . 27185 1 331 . 1 1 117 117 ARG CA C 13 55.6434 0.0000 . 1 . . 62978 . . 114 ARG CA . 27185 1 332 . 1 1 117 117 ARG N N 15 126.9213 0.0000 . 1 . . 64395 . . 114 ARG N . 27185 1 333 . 1 1 118 118 PHE H H 1 8.8585 0.0000 . 1 . . 79378 . . 115 PHE H . 27185 1 334 . 1 1 118 118 PHE CA C 13 56.0656 0.0000 . 1 . . 79388 . . 115 PHE CA . 27185 1 335 . 1 1 118 118 PHE N N 15 124.0289 0.0000 . 1 . . 79380 . . 115 PHE N . 27185 1 336 . 1 1 119 119 VAL H H 1 9.2258 0.0000 . 1 . . 64324 . . 116 VAL H . 27185 1 337 . 1 1 119 119 VAL CA C 13 60.4578 0.0000 . 1 . . 77300 . . 116 VAL CA . 27185 1 338 . 1 1 119 119 VAL CB C 13 31.6288 0.0000 . 1 . . 65357 . . 116 VAL CB . 27185 1 339 . 1 1 119 119 VAL N N 15 131.1319 0.0000 . 1 . . 64326 . . 116 VAL N . 27185 1 340 . 1 1 120 120 LEU H H 1 8.8309 0.0000 . 1 . . 63877 . . 117 LEU H . 27185 1 341 . 1 1 120 120 LEU CA C 13 51.7522 0.0000 . 1 . . 62984 . . 117 LEU CA . 27185 1 342 . 1 1 120 120 LEU N N 15 126.8013 0.0000 . 1 . . 63879 . . 117 LEU N . 27185 1 343 . 1 1 121 121 ASP H H 1 8.2118 0.0000 . 1 . . 63913 . . 118 ASP H . 27185 1 344 . 1 1 121 121 ASP CA C 13 53.8398 0.0000 . 1 . . 63059 . . 118 ASP CA . 27185 1 345 . 1 1 121 121 ASP N N 15 124.4663 0.0000 . 1 . . 63915 . . 118 ASP N . 27185 1 346 . 1 1 122 122 LYS H H 1 9.6099 0.0000 . 1 . . 64285 . . 119 LYS H . 27185 1 347 . 1 1 122 122 LYS CA C 13 59.1129 0.0000 . 1 . . 65921 . . 119 LYS CA . 27185 1 348 . 1 1 122 122 LYS CB C 13 30.5178 0.0000 . 1 . . 65927 . . 119 LYS CB . 27185 1 349 . 1 1 122 122 LYS N N 15 108.5994 0.0000 . 1 . . 64287 . . 119 LYS N . 27185 1 350 . 1 1 123 123 ALA H H 1 8.3878 0.0000 . 1 . . 64159 . . 120 ALA H . 27185 1 351 . 1 1 123 123 ALA CA C 13 54.7028 0.0000 . 1 . . 63503 . . 120 ALA CA . 27185 1 352 . 1 1 123 123 ALA N N 15 118.1334 0.0000 . 1 . . 64161 . . 120 ALA N . 27185 1 353 . 1 1 124 124 LEU H H 1 7.2454 0.0000 . 1 . . 64087 . . 121 LEU H . 27185 1 354 . 1 1 124 124 LEU CA C 13 56.5156 0.0000 . 1 . . 63371 . . 121 LEU CA . 27185 1 355 . 1 1 124 124 LEU N N 15 119.1176 0.0000 . 1 . . 64089 . . 121 LEU N . 27185 1 356 . 1 1 125 125 ALA H H 1 8.6238 0.0000 . 1 . . 63922 . . 122 ALA H . 27185 1 357 . 1 1 125 125 ALA CA C 13 53.7590 0.0000 . 1 . . 75297 . . 122 ALA CA . 27185 1 358 . 1 1 125 125 ALA N N 15 124.2174 0.0000 . 1 . . 63924 . . 122 ALA N . 27185 1 359 . 1 1 126 126 ASP H H 1 7.4066 0.0000 . 1 . . 64246 . . 123 ASP H . 27185 1 360 . 1 1 126 126 ASP CA C 13 54.1058 0.0000 . 1 . . 63656 . . 123 ASP CA . 27185 1 361 . 1 1 126 126 ASP N N 15 113.4665 0.0000 . 1 . . 64248 . . 123 ASP N . 27185 1 362 . 1 1 127 127 SER H H 1 7.5017 0.0000 . 1 . . 64177 . . 124 SER H . 27185 1 363 . 1 1 127 127 SER CA C 13 59.3271 0.0000 . 1 . . 63530 . . 124 SER CA . 27185 1 364 . 1 1 127 127 SER N N 15 117.1291 0.0000 . 1 . . 64179 . . 124 SER N . 27185 1 365 . 1 1 128 128 ASP H H 1 8.5616 0.0000 . 1 . . 73908 . . 125 ASP H . 27185 1 366 . 1 1 128 128 ASP C C 13 181.4574 0.0000 . 1 . . . . . 125 ASP C . 27185 1 367 . 1 1 128 128 ASP CA C 13 59.8075 0.0000 . 1 . . 73930 . . 125 ASP CA . 27185 1 368 . 1 1 128 128 ASP N N 15 122.2783 0.0000 . 1 . . 73910 . . 125 ASP N . 27185 1 369 . 1 1 130 130 VAL H H 1 9.1309 0.0000 . 1 . . . . . 127 VAL H . 27185 1 370 . 1 1 130 130 VAL C C 13 178.3486 0.0000 . 1 . . . . . 127 VAL C . 27185 1 371 . 1 1 130 130 VAL N N 15 110.0983 0.0000 . 1 . . . . . 127 VAL N . 27185 1 372 . 1 1 131 131 ASN H H 1 6.9749 0.0000 . 1 . . . . . 128 ASN H . 27185 1 373 . 1 1 131 131 ASN C C 13 179.6504 0.0000 . 1 . . . . . 128 ASN C . 27185 1 374 . 1 1 131 131 ASN N N 15 118.2462 0.0000 . 1 . . . . . 128 ASN N . 27185 1 375 . 1 1 132 132 PHE H H 1 9.2307 0.0000 . 1 . . . . . 129 PHE H . 27185 1 376 . 1 1 132 132 PHE C C 13 179.5552 0.0000 . 1 . . . . . 129 PHE C . 27185 1 377 . 1 1 132 132 PHE N N 15 118.4597 0.0000 . 1 . . . . . 129 PHE N . 27185 1 378 . 1 1 133 133 HIS H H 1 9.7099 0.0000 . 1 . . . . . 130 HIS H . 27185 1 379 . 1 1 133 133 HIS C C 13 177.0809 0.0000 . 1 . . . . . 130 HIS C . 27185 1 380 . 1 1 133 133 HIS CA C 13 52.1167 0.0000 . 1 . . . . . 130 HIS CA . 27185 1 381 . 1 1 133 133 HIS N N 15 119.4667 0.0000 . 1 . . . . . 130 HIS N . 27185 1 382 . 1 1 135 135 LEU H H 1 7.7182 0.0000 . 1 . . . . . 132 LEU H . 27185 1 383 . 1 1 135 135 LEU C C 13 179.1815 0.0000 . 1 . . . . . 132 LEU C . 27185 1 384 . 1 1 135 135 LEU CA C 13 58.2079 0.0000 . 1 . . . . . 132 LEU CA . 27185 1 385 . 1 1 135 135 LEU CB C 13 35.1927 0.0000 . 1 . . 65978 . . 132 LEU CB . 27185 1 386 . 1 1 135 135 LEU N N 15 109.1936 0.0000 . 1 . . . . . 132 LEU N . 27185 1 387 . 1 1 136 136 LYS H H 1 7.1122 0.0000 . 1 . . 64186 . . 133 LYS H . 27185 1 388 . 1 1 136 136 LYS CA C 13 55.8675 0.0000 . 1 . . 80568 . . 133 LYS CA . 27185 1 389 . 1 1 136 136 LYS N N 15 116.6143 0.0000 . 1 . . 64188 . . 133 LYS N . 27185 1 390 . 1 1 137 137 ASN H H 1 7.8252 0.0000 . 1 . . 64045 . . 134 ASN H . 27185 1 391 . 1 1 137 137 ASN CA C 13 52.7878 0.0000 . 1 . . 80562 . . 134 ASN CA . 27185 1 392 . 1 1 137 137 ASN N N 15 120.7967 0.0000 . 1 . . 64047 . . 134 ASN N . 27185 1 393 . 1 1 138 138 ASP H H 1 7.6046 0.0000 . 1 . . 64129 . . 135 ASP H . 27185 1 394 . 1 1 138 138 ASP CA C 13 52.1941 0.0000 . 1 . . 80556 . . 135 ASP CA . 27185 1 395 . 1 1 138 138 ASP CB C 13 36.3563 0.0000 . 1 . . 65858 . . 135 ASP CB . 27185 1 396 . 1 1 138 138 ASP N N 15 118.6056 0.0000 . 1 . . 64131 . . 135 ASP N . 27185 1 397 . 1 1 139 139 ALA H H 1 7.3444 0.0000 . 1 . . 64120 . . 136 ALA H . 27185 1 398 . 1 1 139 139 ALA CA C 13 51.6481 0.0000 . 1 . . 63428 . . 136 ALA CA . 27185 1 399 . 1 1 139 139 ALA N N 15 118.7282 0.0000 . 1 . . 64122 . . 136 ALA N . 27185 1 400 . 1 1 140 140 THR H H 1 9.1909 0.0000 . 1 . . 73243 . . 137 THR H . 27185 1 401 . 1 1 140 140 THR CA C 13 65.2801 0.0000 . 1 . . 73259 . . 137 THR CA . 27185 1 402 . 1 1 140 140 THR N N 15 118.9087 0.0000 . 1 . . 73245 . . 137 THR N . 27185 1 403 . 1 1 141 141 THR H H 1 9.5749 0.0000 . 1 . . 63865 . . 138 THR H . 27185 1 404 . 1 1 141 141 THR CA C 13 63.0873 0.0000 . 1 . . 73148 . . 138 THR CA . 27185 1 405 . 1 1 141 141 THR N N 15 127.2549 0.0000 . 1 . . 63867 . . 138 THR N . 27185 1 406 . 1 1 142 142 ALA H H 1 9.5181 0.0000 . 1 . . 63838 . . 139 ALA H . 27185 1 407 . 1 1 142 142 ALA CA C 13 50.4385 0.0000 . 1 . . 62915 . . 139 ALA CA . 27185 1 408 . 1 1 142 142 ALA N N 15 129.8366 0.0000 . 1 . . 63840 . . 139 ALA N . 27185 1 409 . 1 1 143 143 VAL H H 1 9.0229 0.0000 . 1 . . 64981 . . 140 VAL H . 27185 1 410 . 1 1 143 143 VAL CA C 13 58.7005 0.0000 . 1 . . 63521 . . 140 VAL CA . 27185 1 411 . 1 1 143 143 VAL N N 15 117.6612 0.0000 . 1 . . 64983 . . 140 VAL N . 27185 1 412 . 1 1 144 144 SER H H 1 9.3692 0.0000 . 1 . . 64915 . . 141 SER H . 27185 1 413 . 1 1 144 144 SER CA C 13 61.8729 0.0000 . 1 . . 64916 . . 141 SER CA . 27185 1 414 . 1 1 144 144 SER N N 15 118.3708 0.0000 . 1 . . 64917 . . 141 SER N . 27185 1 415 . 1 1 145 145 GLN H H 1 9.2276 0.0000 . 1 . . 79162 . . 142 GLN H . 27185 1 416 . 1 1 145 145 GLN CA C 13 59.2750 0.0000 . 1 . . 80148 . . 142 GLN CA . 27185 1 417 . 1 1 145 145 GLN N N 15 123.2191 0.0000 . 1 . . 79164 . . 142 GLN N . 27185 1 418 . 1 1 146 146 ALA H H 1 8.8516 0.0000 . 1 . . 73086 . . 143 ALA H . 27185 1 419 . 1 1 146 146 ALA CA C 13 55.2433 0.0000 . 1 . . 73108 . . 143 ALA CA . 27185 1 420 . 1 1 146 146 ALA N N 15 119.7708 0.0000 . 1 . . 73088 . . 143 ALA N . 27185 1 421 . 1 1 147 147 GLY H H 1 8.9887 0.0000 . 1 . . 64255 . . 144 GLY H . 27185 1 422 . 1 1 147 147 GLY CA C 13 47.4017 0.0000 . 1 . . 63674 . . 144 GLY CA . 27185 1 423 . 1 1 147 147 GLY N N 15 111.6561 0.0000 . 1 . . 64257 . . 144 GLY N . 27185 1 424 . 1 1 148 148 LEU H H 1 9.0892 0.0000 . 1 . . 63916 . . 145 LEU H . 27185 1 425 . 1 1 148 148 LEU CA C 13 58.5307 0.0000 . 1 . . 63056 . . 145 LEU CA . 27185 1 426 . 1 1 148 148 LEU N N 15 124.4301 0.0000 . 1 . . 63918 . . 145 LEU N . 27185 1 427 . 1 1 149 149 ARG H H 1 8.4708 0.0000 . 1 . . 64213 . . 146 ARG H . 27185 1 428 . 1 1 149 149 ARG CA C 13 58.4236 0.0000 . 1 . . 63602 . . 146 ARG CA . 27185 1 429 . 1 1 149 149 ARG N N 15 115.4309 0.0000 . 1 . . 64215 . . 146 ARG N . 27185 1 430 . 1 1 150 150 ARG H H 1 8.5530 0.0000 . 1 . . 73884 . . 147 ARG H . 27185 1 431 . 1 1 150 150 ARG CA C 13 57.5944 0.0000 . 1 . . 73891 . . 147 ARG CA . 27185 1 432 . 1 1 150 150 ARG N N 15 122.3181 0.0000 . 1 . . 73886 . . 147 ARG N . 27185 1 433 . 1 1 151 151 PHE H H 1 8.7096 0.0000 . 1 . . 64003 . . 148 PHE H . 27185 1 434 . 1 1 151 151 PHE CA C 13 61.3865 0.0000 . 1 . . 79972 . . 148 PHE CA . 27185 1 435 . 1 1 151 151 PHE N N 15 122.0294 0.0000 . 1 . . 64005 . . 148 PHE N . 27185 1 436 . 1 1 152 152 LEU H H 1 8.2871 0.0000 . 1 . . 79965 . . 149 LEU H . 27185 1 437 . 1 1 152 152 LEU CA C 13 57.7716 0.0000 . 1 . . 63575 . . 149 LEU CA . 27185 1 438 . 1 1 152 152 LEU N N 15 116.3168 0.0000 . 1 . . 79967 . . 149 LEU N . 27185 1 439 . 1 1 153 153 ALA H H 1 8.3400 0.0000 . 1 . . 69805 . . 150 ALA H . 27185 1 440 . 1 1 153 153 ALA CA C 13 55.0792 0.0000 . 1 . . 74011 . . 150 ALA CA . 27185 1 441 . 1 1 153 153 ALA N N 15 120.9450 0.0000 . 1 . . 69807 . . 150 ALA N . 27185 1 442 . 1 1 154 154 ALA H H 1 8.1477 0.0000 . 1 . . 74177 . . 151 ALA H . 27185 1 443 . 1 1 154 154 ALA CA C 13 54.5160 0.0000 . 1 . . 74184 . . 151 ALA CA . 27185 1 444 . 1 1 154 154 ALA N N 15 122.1191 0.0000 . 1 . . 74179 . . 151 ALA N . 27185 1 445 . 1 1 155 155 LEU H H 1 7.1334 0.0000 . 1 . . 65044 . . 152 LEU H . 27185 1 446 . 1 1 155 155 LEU CA C 13 54.4514 0.0000 . 1 . . 63584 . . 152 LEU CA . 27185 1 447 . 1 1 155 155 LEU N N 15 116.1429 0.0000 . 1 . . 65046 . . 152 LEU N . 27185 1 448 . 1 1 156 156 GLY H H 1 7.9084 0.0000 . 1 . . 65188 . . 153 GLY H . 27185 1 449 . 1 1 156 156 GLY CA C 13 46.1800 0.0000 . 1 . . . . . 153 GLY CA . 27185 1 450 . 1 1 156 156 GLY N N 15 108.9670 0.0000 . 1 . . 65190 . . 153 GLY N . 27185 1 451 . 1 1 157 157 VAL H H 1 8.0180 0.0000 . 1 . . . . . 154 VAL H . 27185 1 452 . 1 1 157 157 VAL C C 13 178.4339 0.0000 . 1 . . . . . 154 VAL C . 27185 1 453 . 1 1 157 157 VAL N N 15 121.4244 0.0000 . 1 . . . . . 154 VAL N . 27185 1 454 . 1 1 158 158 GLU H H 1 8.8185 0.0000 . 1 . . . . . 155 GLU H . 27185 1 455 . 1 1 158 158 GLU C C 13 178.4486 0.0000 . 1 . . . . . 155 GLU C . 27185 1 456 . 1 1 158 158 GLU N N 15 129.2941 0.0000 . 1 . . . . . 155 GLU N . 27185 1 457 . 1 1 159 159 PRO CA C 13 59.5213 0.0000 . 1 . . 65486 . . 156 PRO CA . 27185 1 458 . 1 1 159 159 PRO CB C 13 29.6221 0.0000 . 1 . . 65501 . . 156 PRO CB . 27185 1 459 . 1 1 160 160 MET H H 1 8.4275 0.0000 . 1 . . 63940 . . 157 MET H . 27185 1 460 . 1 1 160 160 MET CA C 13 55.5414 0.0000 . 1 . . 63107 . . 157 MET CA . 27185 1 461 . 1 1 160 160 MET N N 15 123.7128 0.0000 . 1 . . 63942 . . 157 MET N . 27185 1 462 . 1 1 161 161 ILE H H 1 9.0621 0.0000 . 1 . . 63847 . . 158 ILE H . 27185 1 463 . 1 1 161 161 ILE CA C 13 60.5307 0.0000 . 1 . . 62927 . . 158 ILE CA . 27185 1 464 . 1 1 161 161 ILE N N 15 129.3180 0.0000 . 1 . . 63849 . . 158 ILE N . 27185 1 465 . 1 1 162 162 VAL H H 1 8.0954 0.0000 . 1 . . 63874 . . 159 VAL H . 27185 1 466 . 1 1 162 162 VAL CA C 13 60.6104 0.0000 . 1 . . 62975 . . 159 VAL CA . 27185 1 467 . 1 1 162 162 VAL N N 15 126.8781 0.0000 . 1 . . 63876 . . 159 VAL N . 27185 1 468 . 1 1 163 163 ASP H H 1 8.7156 0.0000 . 1 . . 63883 . . 160 ASP H . 27185 1 469 . 1 1 163 163 ASP CA C 13 52.3637 0.0000 . 1 . . 62999 . . 160 ASP CA . 27185 1 470 . 1 1 163 163 ASP N N 15 126.3773 0.0000 . 1 . . 63885 . . 160 ASP N . 27185 1 471 . 1 1 164 164 PHE H H 1 9.2932 0.0000 . 1 . . 64426 . . 161 PHE H . 27185 1 472 . 1 1 164 164 PHE CA C 13 61.8506 0.0000 . 1 . . 63011 . . 161 PHE CA . 27185 1 473 . 1 1 164 164 PHE N N 15 126.1357 0.0000 . 1 . . 64428 . . 161 PHE N . 27185 1 474 . 1 1 165 165 ALA H H 1 8.3589 0.0000 . 1 . . 63949 . . 162 ALA H . 27185 1 475 . 1 1 165 165 ALA CA C 13 54.3226 0.0000 . 1 . . 63125 . . 162 ALA CA . 27185 1 476 . 1 1 165 165 ALA N N 15 123.5148 0.0000 . 1 . . 63951 . . 162 ALA N . 27185 1 477 . 1 1 166 166 ALA H H 1 7.7138 0.0000 . 1 . . 64075 . . 163 ALA H . 27185 1 478 . 1 1 166 166 ALA CA C 13 52.1101 0.0000 . 1 . . 63347 . . 163 ALA CA . 27185 1 479 . 1 1 166 166 ALA N N 15 119.7690 0.0000 . 1 . . 64077 . . 163 ALA N . 27185 1 480 . 1 1 167 167 MET H H 1 7.9631 0.0000 . 1 . . 64228 . . 164 MET H . 27185 1 481 . 1 1 167 167 MET CA C 13 55.1915 0.0000 . 1 . . 63626 . . 164 MET CA . 27185 1 482 . 1 1 167 167 MET N N 15 114.3873 0.0000 . 1 . . 64230 . . 164 MET N . 27185 1 483 . 1 1 168 168 GLU H H 1 7.6395 0.0000 . 1 . . 64204 . . 165 GLU H . 27185 1 484 . 1 1 168 168 GLU CA C 13 54.8347 0.0000 . 1 . . 63587 . . 165 GLU CA . 27185 1 485 . 1 1 168 168 GLU N N 15 115.9642 0.0000 . 1 . . 64206 . . 165 GLU N . 27185 1 486 . 1 1 169 169 VAL H H 1 8.7491 0.0000 . 1 . . 64537 . . 166 VAL H . 27185 1 487 . 1 1 169 169 VAL CA C 13 63.3068 0.0000 . 1 . . 63092 . . 166 VAL CA . 27185 1 488 . 1 1 169 169 VAL N N 15 123.9386 0.0000 . 1 . . 64539 . . 166 VAL N . 27185 1 489 . 1 1 170 170 VAL H H 1 8.7322 0.0000 . 1 . . 64489 . . 167 VAL H . 27185 1 490 . 1 1 170 170 VAL CA C 13 61.4423 0.0000 . 1 . . 63053 . . 167 VAL CA . 27185 1 491 . 1 1 170 170 VAL N N 15 124.6599 0.0000 . 1 . . 64491 . . 167 VAL N . 27185 1 492 . 1 1 171 171 GLY H H 1 7.9726 0.0000 . 1 . . . . . 168 GLY H . 27185 1 493 . 1 1 171 171 GLY C C 13 177.9656 0.0000 . 1 . . . . . 168 GLY C . 27185 1 494 . 1 1 171 171 GLY N N 15 118.8840 0.0000 . 1 . . . . . 168 GLY N . 27185 1 stop_ save_