data_27963 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27963 _Entry.Title ; RDC of Delta subunit of RNA polymerase from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-30 _Entry.Accession_date 2019-06-30 _Entry.Last_release_date 2019-07-01 _Entry.Original_release_date 2019-07-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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 . _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.ORCID _Entry_author.Entry_ID 1 Lukas Zidek . . . . 27963 2 Vojtech Kuban . . . . 27963 3 Pavel Srb . . . . 27963 4 Hana Stegnerova . . . . 27963 5 Petr Padrta . . . . 27963 6 Milan Zachrdla . . . . 27963 7 Zuzana Jasenakova . . . . 27963 8 Hana Sanderova . . . . 27963 9 Libor Krasny . . . . 27963 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 27963 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'residual dipolar couplings' 481 27963 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 . . 2019-11-22 2019-06-30 update BMRB 'update entry citation' 27963 1 . . 2019-09-30 2019-06-30 original author 'original release' 27963 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16635 'N-terminal domain of Bacillus subtilis delta subunit of RNA polymerase' 27963 BMRB 16912 'Delta subunit of RNA polymerase from Bacillus subtilis' 27963 BMRB 18903 'Relaxation study of Delta subunit of RNA polymerase from Bacillus subtilis' 27963 BMRB 19284 'Relaxation data of the delta subunit of RNA polymerase from Bacillus subtilis' 27963 BMRB 27245 'Backbone 15N relaxation data for c-teminal domain of delta subunit of RNA polymerase from bacillus subtilis' 27963 BMRB 27964 'Delta subunit of RNA polymerase from Bacillus subtilis with mutated lisine strecht to glutamic acid' 27963 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27963 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31550880 _Citation.Full_citation . _Citation.Title ; Quantitative Conformational Analysis of Functionally Important Electrostatic Interactions in the Intrinsically Disordered Region of Delta Subunit of Bacterial RNA Polymerase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 141 _Citation.Journal_issue 42 _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 16817 _Citation.Page_last 16828 _Citation.Year 2019 _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 Vojtech Kuban V. . . . 27963 1 2 Pavel Srb P. . . . 27963 1 3 Hana Stegnerova H. . . . 27963 1 4 Petr Padrta P. . . . 27963 1 5 Milan Zachrdla M. . . . 27963 1 6 Zuzana Jasenakova Z. . . . 27963 1 7 Hana Sanderova H. . . . 27963 1 8 Dragana Vitovska D. . . . 27963 1 9 Libor Krasny L. . . . 27963 1 10 Tomas Koval T. . . . 27963 1 11 Jan Dohnalek J. . . . 27963 1 12 Joanna 'Ziemska-Legi Cka' J. . . . 27963 1 13 Marcin Grynberg M. . . . 27963 1 14 Patryk Jarnot P. . . . 27963 1 15 Aleksandra Gruca A. . . . 27963 1 16 'Malene Ringkjobing' Jensen M. R. . . 27963 1 17 Martin Blackledge M. . . . 27963 1 18 Lukas Zidek L. . . . 27963 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'electrostatic interactions' 27963 1 'intrinsically disordered proteins' 27963 1 'long-range dynamics' 27963 1 'nuclear magnetic resonance' 27963 1 'residual dipolar couplings' 27963 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27963 _Assembly.ID 1 _Assembly.Name Delta _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 Delta 1 $Delta_Subunit A . yes 'partially disordered' no no . . . 27963 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2KRC . . 'solution NMR' . . . 27963 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Delta_Subunit _Entity.Sf_category entity _Entity.Sf_framecode Delta_Subunit _Entity.Entry_ID 27963 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Delta_Subunit _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 ; MGIKQYSQEELKEMALVEIA HELFEEHKKPVPFQELLNEI ASLLGVKKEELGDRIAQFYT DLNIDGRFLALSDQTWGLRS WYPYDQLDEETQPTVKAKKK KAKKAVEEDLDLDEFEEIDE DDLDLDEVEEELDLEADDFD EEDLDEDDDDLEIEEDIIDE DDEDYDDEEEEIK ; _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 173 _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 . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27963 1 2 . GLY . 27963 1 3 . ILE . 27963 1 4 . LYS . 27963 1 5 . GLN . 27963 1 6 . TYR . 27963 1 7 . SER . 27963 1 8 . GLN . 27963 1 9 . GLU . 27963 1 10 . GLU . 27963 1 11 . LEU . 27963 1 12 . LYS . 27963 1 13 . GLU . 27963 1 14 . MET . 27963 1 15 . ALA . 27963 1 16 . LEU . 27963 1 17 . VAL . 27963 1 18 . GLU . 27963 1 19 . ILE . 27963 1 20 . ALA . 27963 1 21 . HIS . 27963 1 22 . GLU . 27963 1 23 . LEU . 27963 1 24 . PHE . 27963 1 25 . GLU . 27963 1 26 . GLU . 27963 1 27 . HIS . 27963 1 28 . LYS . 27963 1 29 . LYS . 27963 1 30 . PRO . 27963 1 31 . VAL . 27963 1 32 . PRO . 27963 1 33 . PHE . 27963 1 34 . GLN . 27963 1 35 . GLU . 27963 1 36 . LEU . 27963 1 37 . LEU . 27963 1 38 . ASN . 27963 1 39 . GLU . 27963 1 40 . ILE . 27963 1 41 . ALA . 27963 1 42 . SER . 27963 1 43 . LEU . 27963 1 44 . LEU . 27963 1 45 . GLY . 27963 1 46 . VAL . 27963 1 47 . LYS . 27963 1 48 . LYS . 27963 1 49 . GLU . 27963 1 50 . GLU . 27963 1 51 . LEU . 27963 1 52 . GLY . 27963 1 53 . ASP . 27963 1 54 . ARG . 27963 1 55 . ILE . 27963 1 56 . ALA . 27963 1 57 . GLN . 27963 1 58 . PHE . 27963 1 59 . TYR . 27963 1 60 . THR . 27963 1 61 . ASP . 27963 1 62 . LEU . 27963 1 63 . ASN . 27963 1 64 . ILE . 27963 1 65 . ASP . 27963 1 66 . GLY . 27963 1 67 . ARG . 27963 1 68 . PHE . 27963 1 69 . LEU . 27963 1 70 . ALA . 27963 1 71 . LEU . 27963 1 72 . SER . 27963 1 73 . ASP . 27963 1 74 . GLN . 27963 1 75 . THR . 27963 1 76 . TRP . 27963 1 77 . GLY . 27963 1 78 . LEU . 27963 1 79 . ARG . 27963 1 80 . SER . 27963 1 81 . TRP . 27963 1 82 . TYR . 27963 1 83 . PRO . 27963 1 84 . TYR . 27963 1 85 . ASP . 27963 1 86 . GLN . 27963 1 87 . LEU . 27963 1 88 . ASP . 27963 1 89 . GLU . 27963 1 90 . GLU . 27963 1 91 . THR . 27963 1 92 . GLN . 27963 1 93 . PRO . 27963 1 94 . THR . 27963 1 95 . VAL . 27963 1 96 . LYS . 27963 1 97 . ALA . 27963 1 98 . LYS . 27963 1 99 . LYS . 27963 1 100 . LYS . 27963 1 101 . LYS . 27963 1 102 . ALA . 27963 1 103 . LYS . 27963 1 104 . LYS . 27963 1 105 . ALA . 27963 1 106 . VAL . 27963 1 107 . GLU . 27963 1 108 . GLU . 27963 1 109 . ASP . 27963 1 110 . LEU . 27963 1 111 . ASP . 27963 1 112 . LEU . 27963 1 113 . ASP . 27963 1 114 . GLU . 27963 1 115 . PHE . 27963 1 116 . GLU . 27963 1 117 . GLU . 27963 1 118 . ILE . 27963 1 119 . ASP . 27963 1 120 . GLU . 27963 1 121 . ASP . 27963 1 122 . ASP . 27963 1 123 . LEU . 27963 1 124 . ASP . 27963 1 125 . LEU . 27963 1 126 . ASP . 27963 1 127 . GLU . 27963 1 128 . VAL . 27963 1 129 . GLU . 27963 1 130 . GLU . 27963 1 131 . GLU . 27963 1 132 . LEU . 27963 1 133 . ASP . 27963 1 134 . LEU . 27963 1 135 . GLU . 27963 1 136 . ALA . 27963 1 137 . ASP . 27963 1 138 . ASP . 27963 1 139 . PHE . 27963 1 140 . ASP . 27963 1 141 . GLU . 27963 1 142 . GLU . 27963 1 143 . ASP . 27963 1 144 . LEU . 27963 1 145 . ASP . 27963 1 146 . GLU . 27963 1 147 . ASP . 27963 1 148 . ASP . 27963 1 149 . ASP . 27963 1 150 . ASP . 27963 1 151 . LEU . 27963 1 152 . GLU . 27963 1 153 . ILE . 27963 1 154 . GLU . 27963 1 155 . GLU . 27963 1 156 . ASP . 27963 1 157 . ILE . 27963 1 158 . ILE . 27963 1 159 . ASP . 27963 1 160 . GLU . 27963 1 161 . ASP . 27963 1 162 . ASP . 27963 1 163 . GLU . 27963 1 164 . ASP . 27963 1 165 . TYR . 27963 1 166 . ASP . 27963 1 167 . ASP . 27963 1 168 . GLU . 27963 1 169 . GLU . 27963 1 170 . GLU . 27963 1 171 . GLU . 27963 1 172 . ILE . 27963 1 173 . LYS . 27963 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27963 1 . GLY 2 2 27963 1 . ILE 3 3 27963 1 . LYS 4 4 27963 1 . GLN 5 5 27963 1 . TYR 6 6 27963 1 . SER 7 7 27963 1 . GLN 8 8 27963 1 . GLU 9 9 27963 1 . GLU 10 10 27963 1 . LEU 11 11 27963 1 . LYS 12 12 27963 1 . GLU 13 13 27963 1 . MET 14 14 27963 1 . ALA 15 15 27963 1 . LEU 16 16 27963 1 . VAL 17 17 27963 1 . GLU 18 18 27963 1 . ILE 19 19 27963 1 . ALA 20 20 27963 1 . HIS 21 21 27963 1 . GLU 22 22 27963 1 . LEU 23 23 27963 1 . PHE 24 24 27963 1 . GLU 25 25 27963 1 . GLU 26 26 27963 1 . HIS 27 27 27963 1 . LYS 28 28 27963 1 . LYS 29 29 27963 1 . PRO 30 30 27963 1 . VAL 31 31 27963 1 . PRO 32 32 27963 1 . PHE 33 33 27963 1 . GLN 34 34 27963 1 . GLU 35 35 27963 1 . LEU 36 36 27963 1 . LEU 37 37 27963 1 . ASN 38 38 27963 1 . GLU 39 39 27963 1 . ILE 40 40 27963 1 . ALA 41 41 27963 1 . SER 42 42 27963 1 . LEU 43 43 27963 1 . LEU 44 44 27963 1 . GLY 45 45 27963 1 . VAL 46 46 27963 1 . LYS 47 47 27963 1 . LYS 48 48 27963 1 . GLU 49 49 27963 1 . GLU 50 50 27963 1 . LEU 51 51 27963 1 . GLY 52 52 27963 1 . ASP 53 53 27963 1 . ARG 54 54 27963 1 . ILE 55 55 27963 1 . ALA 56 56 27963 1 . GLN 57 57 27963 1 . PHE 58 58 27963 1 . TYR 59 59 27963 1 . THR 60 60 27963 1 . ASP 61 61 27963 1 . LEU 62 62 27963 1 . ASN 63 63 27963 1 . ILE 64 64 27963 1 . ASP 65 65 27963 1 . GLY 66 66 27963 1 . ARG 67 67 27963 1 . PHE 68 68 27963 1 . LEU 69 69 27963 1 . ALA 70 70 27963 1 . LEU 71 71 27963 1 . SER 72 72 27963 1 . ASP 73 73 27963 1 . GLN 74 74 27963 1 . THR 75 75 27963 1 . TRP 76 76 27963 1 . GLY 77 77 27963 1 . LEU 78 78 27963 1 . ARG 79 79 27963 1 . SER 80 80 27963 1 . TRP 81 81 27963 1 . TYR 82 82 27963 1 . PRO 83 83 27963 1 . TYR 84 84 27963 1 . ASP 85 85 27963 1 . GLN 86 86 27963 1 . LEU 87 87 27963 1 . ASP 88 88 27963 1 . GLU 89 89 27963 1 . GLU 90 90 27963 1 . THR 91 91 27963 1 . GLN 92 92 27963 1 . PRO 93 93 27963 1 . THR 94 94 27963 1 . VAL 95 95 27963 1 . LYS 96 96 27963 1 . ALA 97 97 27963 1 . LYS 98 98 27963 1 . LYS 99 99 27963 1 . LYS 100 100 27963 1 . LYS 101 101 27963 1 . ALA 102 102 27963 1 . LYS 103 103 27963 1 . LYS 104 104 27963 1 . ALA 105 105 27963 1 . VAL 106 106 27963 1 . GLU 107 107 27963 1 . GLU 108 108 27963 1 . ASP 109 109 27963 1 . LEU 110 110 27963 1 . ASP 111 111 27963 1 . LEU 112 112 27963 1 . ASP 113 113 27963 1 . GLU 114 114 27963 1 . PHE 115 115 27963 1 . GLU 116 116 27963 1 . GLU 117 117 27963 1 . ILE 118 118 27963 1 . ASP 119 119 27963 1 . GLU 120 120 27963 1 . ASP 121 121 27963 1 . ASP 122 122 27963 1 . LEU 123 123 27963 1 . ASP 124 124 27963 1 . LEU 125 125 27963 1 . ASP 126 126 27963 1 . GLU 127 127 27963 1 . VAL 128 128 27963 1 . GLU 129 129 27963 1 . GLU 130 130 27963 1 . GLU 131 131 27963 1 . LEU 132 132 27963 1 . ASP 133 133 27963 1 . LEU 134 134 27963 1 . GLU 135 135 27963 1 . ALA 136 136 27963 1 . ASP 137 137 27963 1 . ASP 138 138 27963 1 . PHE 139 139 27963 1 . ASP 140 140 27963 1 . GLU 141 141 27963 1 . GLU 142 142 27963 1 . ASP 143 143 27963 1 . LEU 144 144 27963 1 . ASP 145 145 27963 1 . GLU 146 146 27963 1 . ASP 147 147 27963 1 . ASP 148 148 27963 1 . ASP 149 149 27963 1 . ASP 150 150 27963 1 . LEU 151 151 27963 1 . GLU 152 152 27963 1 . ILE 153 153 27963 1 . GLU 154 154 27963 1 . GLU 155 155 27963 1 . ASP 156 156 27963 1 . ILE 157 157 27963 1 . ILE 158 158 27963 1 . ASP 159 159 27963 1 . GLU 160 160 27963 1 . ASP 161 161 27963 1 . ASP 162 162 27963 1 . GLU 163 163 27963 1 . ASP 164 164 27963 1 . TYR 165 165 27963 1 . ASP 166 166 27963 1 . ASP 167 167 27963 1 . GLU 168 168 27963 1 . GLU 169 169 27963 1 . GLU 170 170 27963 1 . GLU 171 171 27963 1 . ILE 172 172 27963 1 . LYS 173 173 27963 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 27963 _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 $Delta_Subunit . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . 27963 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 27963 _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 $Delta_Subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET22b . . . 27963 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_gel _Sample.Sf_category sample _Sample.Sf_framecode sample_gel _Sample.Entry_ID 27963 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Delta Subunit of Bacterial RNA Polymerase' '[U-100% 13C; U-100% 15N]' . . 1 $Delta_Subunit . . 0.6 . . mM . . . . 27963 1 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 27963 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27963 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 27963 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 27963 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . pH 27963 1 pressure 1 . atm 27963 1 temperature 300 . K 27963 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27963 _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' . . 27963 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27963 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27963 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27963 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27963 2 . 'peak picking' 27963 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27963 _Software.ID 3 _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' . . 27963 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27963 3 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 27963 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27963 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 600 . . . 27963 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 27963 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D IPAP HNCO' no . . . . . . . . . . 1 $sample_gel anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27963 1 2 '3D a/b-HNCO' no . . . . . . . . . . 1 $sample_gel anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27963 1 3 '4D IPAP (HA)CACONH' no . . . . . . . . . . 1 $sample_gel anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27963 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 27963 _RDC_list.ID 1 _RDC_list.Name . _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 '3D IPAP HNCO' . . . 27963 1 2 '3D a/b-HNCO' . . . 27963 1 3 '4D IPAP (HA)CACONH' . . . 27963 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 3 3 ILE N N 15 . . 1 1 3 3 ILE H H 1 . 5.103 . . 1 . . . . . . . . . . . 27963 1 2 DNH . 1 1 4 4 LYS N N 15 . . 1 1 4 4 LYS H H 1 . -16.709 . . 1 . . . . . . . . . . . 27963 1 3 DNH . 1 1 5 5 GLN N N 15 . . 1 1 5 5 GLN H H 1 . 22.244 . . 1 . . . . . . . . . . . 27963 1 4 DNH . 1 1 6 6 TYR N N 15 . . 1 1 6 6 TYR H H 1 . -3.727 . . 1 . . . . . . . . . . . 27963 1 5 DNH . 1 1 7 7 SER N N 15 . . 1 1 7 7 SER H H 1 . -15.751 . . 1 . . . . . . . . . . . 27963 1 6 DNH . 1 1 8 8 GLN N N 15 . . 1 1 8 8 GLN H H 1 . 0.605 . . 1 . . . . . . . . . . . 27963 1 7 DNH . 1 1 10 10 GLU N N 15 . . 1 1 10 10 GLU H H 1 . 10.165 . . 1 . . . . . . . . . . . 27963 1 8 DNH . 1 1 11 11 LEU N N 15 . . 1 1 11 11 LEU H H 1 . -9.967 . . 1 . . . . . . . . . . . 27963 1 9 DNH . 1 1 12 12 LYS N N 15 . . 1 1 12 12 LYS H H 1 . 3.769 . . 1 . . . . . . . . . . . 27963 1 10 DNH . 1 1 13 13 GLU N N 15 . . 1 1 13 13 GLU H H 1 . -9.086 . . 1 . . . . . . . . . . . 27963 1 11 DNH . 1 1 14 14 MET N N 15 . . 1 1 14 14 MET H H 1 . -3.265 . . 1 . . . . . . . . . . . 27963 1 12 DNH . 1 1 15 15 ALA N N 15 . . 1 1 15 15 ALA H H 1 . -0.759 . . 1 . . . . . . . . . . . 27963 1 13 DNH . 1 1 20 20 ALA N N 15 . . 1 1 20 20 ALA H H 1 . -19.472 . . 1 . . . . . . . . . . . 27963 1 14 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . -21.718 . . 1 . . . . . . . . . . . 27963 1 15 DNH . 1 1 24 24 PHE N N 15 . . 1 1 24 24 PHE H H 1 . -4.255 . . 1 . . . . . . . . . . . 27963 1 16 DNH . 1 1 25 25 GLU N N 15 . . 1 1 25 25 GLU H H 1 . 1.757 . . 1 . . . . . . . . . . . 27963 1 17 DNH . 1 1 26 26 GLU N N 15 . . 1 1 26 26 GLU H H 1 . 4.173 . . 1 . . . . . . . . . . . 27963 1 18 DNH . 1 1 27 27 HIS N N 15 . . 1 1 27 27 HIS H H 1 . -10.426 . . 1 . . . . . . . . . . . 27963 1 19 DNH . 1 1 28 28 LYS N N 15 . . 1 1 28 28 LYS H H 1 . 7.098 . . 1 . . . . . . . . . . . 27963 1 20 DNH . 1 1 29 29 LYS N N 15 . . 1 1 29 29 LYS H H 1 . 18.083 . . 1 . . . . . . . . . . . 27963 1 21 DNH . 1 1 33 33 PHE N N 15 . . 1 1 33 33 PHE H H 1 . -7.785 . . 1 . . . . . . . . . . . 27963 1 22 DNH . 1 1 34 34 GLN N N 15 . . 1 1 34 34 GLN H H 1 . -0.709 . . 1 . . . . . . . . . . . 27963 1 23 DNH . 1 1 35 35 GLU N N 15 . . 1 1 35 35 GLU H H 1 . -9.010 . . 1 . . . . . . . . . . . 27963 1 24 DNH . 1 1 36 36 LEU N N 15 . . 1 1 36 36 LEU H H 1 . 5.239 . . 1 . . . . . . . . . . . 27963 1 25 DNH . 1 1 37 37 LEU N N 15 . . 1 1 37 37 LEU H H 1 . -2.035 . . 1 . . . . . . . . . . . 27963 1 26 DNH . 1 1 38 38 ASN N N 15 . . 1 1 38 38 ASN H H 1 . 0.393 . . 1 . . . . . . . . . . . 27963 1 27 DNH . 1 1 42 42 SER N N 15 . . 1 1 42 42 SER H H 1 . 29.683 . . 1 . . . . . . . . . . . 27963 1 28 DNH . 1 1 43 43 LEU N N 15 . . 1 1 43 43 LEU H H 1 . -4.466 . . 1 . . . . . . . . . . . 27963 1 29 DNH . 1 1 44 44 LEU N N 15 . . 1 1 44 44 LEU H H 1 . 2.556 . . 1 . . . . . . . . . . . 27963 1 30 DNH . 1 1 45 45 GLY N N 15 . . 1 1 45 45 GLY H H 1 . 32.423 . . 1 . . . . . . . . . . . 27963 1 31 DNH . 1 1 46 46 VAL N N 15 . . 1 1 46 46 VAL H H 1 . -8.747 . . 1 . . . . . . . . . . . 27963 1 32 DNH . 1 1 48 48 LYS N N 15 . . 1 1 48 48 LYS H H 1 . -14.500 . . 1 . . . . . . . . . . . 27963 1 33 DNH . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU H H 1 . -5.713 . . 1 . . . . . . . . . . . 27963 1 34 DNH . 1 1 50 50 GLU N N 15 . . 1 1 50 50 GLU H H 1 . 1.299 . . 1 . . . . . . . . . . . 27963 1 35 DNH . 1 1 51 51 LEU N N 15 . . 1 1 51 51 LEU H H 1 . 30.349 . . 1 . . . . . . . . . . . 27963 1 36 DNH . 1 1 52 52 GLY N N 15 . . 1 1 52 52 GLY H H 1 . 2.928 . . 1 . . . . . . . . . . . 27963 1 37 DNH . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H H 1 . 15.027 . . 1 . . . . . . . . . . . 27963 1 38 DNH . 1 1 55 55 ILE N N 15 . . 1 1 55 55 ILE H H 1 . 23.335 . . 1 . . . . . . . . . . . 27963 1 39 DNH . 1 1 60 60 THR N N 15 . . 1 1 60 60 THR H H 1 . -9.534 . . 1 . . . . . . . . . . . 27963 1 40 DNH . 1 1 61 61 ASP N N 15 . . 1 1 61 61 ASP H H 1 . 6.697 . . 1 . . . . . . . . . . . 27963 1 41 DNH . 1 1 63 63 ASN N N 15 . . 1 1 63 63 ASN H H 1 . 0.949 . . 1 . . . . . . . . . . . 27963 1 42 DNH . 1 1 69 69 LEU N N 15 . . 1 1 69 69 LEU H H 1 . 7.828 . . 1 . . . . . . . . . . . 27963 1 43 DNH . 1 1 72 72 SER N N 15 . . 1 1 72 72 SER H H 1 . -3.258 . . 1 . . . . . . . . . . . 27963 1 44 DNH . 1 1 75 75 THR N N 15 . . 1 1 75 75 THR H H 1 . 27.946 . . 1 . . . . . . . . . . . 27963 1 45 DNH . 1 1 76 76 TRP N N 15 . . 1 1 76 76 TRP H H 1 . 7.641 . . 1 . . . . . . . . . . . 27963 1 46 DNH . 1 1 77 77 GLY N N 15 . . 1 1 77 77 GLY H H 1 . -4.726 . . 1 . . . . . . . . . . . 27963 1 47 DNH . 1 1 81 81 TRP N N 15 . . 1 1 81 81 TRP H H 1 . 1.065 . . 1 . . . . . . . . . . . 27963 1 48 DNH . 1 1 82 82 TYR N N 15 . . 1 1 82 82 TYR H H 1 . -8.998 . . 1 . . . . . . . . . . . 27963 1 49 DNH . 1 1 84 84 TYR N N 15 . . 1 1 84 84 TYR H H 1 . -6.593 . . 1 . . . . . . . . . . . 27963 1 50 DNH . 1 1 86 86 GLN N N 15 . . 1 1 86 86 GLN H H 1 . -5.037 . . 1 . . . . . . . . . . . 27963 1 51 DNH . 1 1 87 87 LEU N N 15 . . 1 1 87 87 LEU H H 1 . -6.083 . . 1 . . . . . . . . . . . 27963 1 52 DNH . 1 1 88 88 ASP N N 15 . . 1 1 88 88 ASP H H 1 . -6.312 . . 1 . . . . . . . . . . . 27963 1 53 DNH . 1 1 90 90 GLU N N 15 . . 1 1 90 90 GLU H H 1 . -3.267 . . 1 . . . . . . . . . . . 27963 1 54 DNH . 1 1 91 91 THR N N 15 . . 1 1 91 91 THR H H 1 . -4.916 . . 1 . . . . . . . . . . . 27963 1 55 DNH . 1 1 92 92 GLN N N 15 . . 1 1 92 92 GLN H H 1 . -7.68 . . 1 . . . . . . . . . . . 27963 1 56 DNH . 1 1 94 94 THR N N 15 . . 1 1 94 94 THR H H 1 . -6.382 . . 1 . . . . . . . . . . . 27963 1 57 DNH . 1 1 95 95 VAL N N 15 . . 1 1 95 95 VAL H H 1 . -8.037 . . 1 . . . . . . . . . . . 27963 1 58 DNH . 1 1 96 96 LYS N N 15 . . 1 1 96 96 LYS H H 1 . -9.706 . . 1 . . . . . . . . . . . 27963 1 59 DNH . 1 1 98 98 LYS N N 15 . . 1 1 98 98 LYS H H 1 . -7.559 . . 1 . . . . . . . . . . . 27963 1 60 DNH . 1 1 101 101 LYS N N 15 . . 1 1 101 101 LYS H H 1 . -7.849 . . 1 . . . . . . . . . . . 27963 1 61 DNH . 1 1 102 102 ALA N N 15 . . 1 1 102 102 ALA H H 1 . -5.086 . . 1 . . . . . . . . . . . 27963 1 62 DNH . 1 1 103 103 LYS N N 15 . . 1 1 103 103 LYS H H 1 . -5.022 . . 1 . . . . . . . . . . . 27963 1 63 DNH . 1 1 104 104 LYS N N 15 . . 1 1 104 104 LYS H H 1 . -6.248 . . 1 . . . . . . . . . . . 27963 1 64 DNH . 1 1 105 105 ALA N N 15 . . 1 1 105 105 ALA H H 1 . -2.158 . . 1 . . . . . . . . . . . 27963 1 65 DNH . 1 1 106 106 VAL N N 15 . . 1 1 106 106 VAL H H 1 . -1.972 . . 1 . . . . . . . . . . . 27963 1 66 DNH . 1 1 107 107 GLU N N 15 . . 1 1 107 107 GLU H H 1 . 0.558 . . 1 . . . . . . . . . . . 27963 1 67 DNH . 1 1 108 108 GLU N N 15 . . 1 1 108 108 GLU H H 1 . -3.029 . . 1 . . . . . . . . . . . 27963 1 68 DNH . 1 1 109 109 ASP N N 15 . . 1 1 109 109 ASP H H 1 . -2.437 . . 1 . . . . . . . . . . . 27963 1 69 DNH . 1 1 110 110 LEU N N 15 . . 1 1 110 110 LEU H H 1 . -2.077 . . 1 . . . . . . . . . . . 27963 1 70 DNH . 1 1 111 111 ASP N N 15 . . 1 1 111 111 ASP H H 1 . -2.181 . . 1 . . . . . . . . . . . 27963 1 71 DNH . 1 1 113 113 ASP N N 15 . . 1 1 113 113 ASP H H 1 . -1.938 . . 1 . . . . . . . . . . . 27963 1 72 DNH . 1 1 114 114 GLU N N 15 . . 1 1 114 114 GLU H H 1 . -0.074 . . 1 . . . . . . . . . . . 27963 1 73 DNH . 1 1 115 115 PHE N N 15 . . 1 1 115 115 PHE H H 1 . -1.73 . . 1 . . . . . . . . . . . 27963 1 74 DNH . 1 1 116 116 GLU N N 15 . . 1 1 116 116 GLU H H 1 . -2.969 . . 1 . . . . . . . . . . . 27963 1 75 DNH . 1 1 117 117 GLU N N 15 . . 1 1 117 117 GLU H H 1 . -2.619 . . 1 . . . . . . . . . . . 27963 1 76 DNH . 1 1 118 118 ILE N N 15 . . 1 1 118 118 ILE H H 1 . -4.42 . . 1 . . . . . . . . . . . 27963 1 77 DNH . 1 1 119 119 ASP N N 15 . . 1 1 119 119 ASP H H 1 . -3.975 . . 1 . . . . . . . . . . . 27963 1 78 DNH . 1 1 120 120 GLU N N 15 . . 1 1 120 120 GLU H H 1 . -1.857 . . 1 . . . . . . . . . . . 27963 1 79 DNH . 1 1 121 121 ASP N N 15 . . 1 1 121 121 ASP H H 1 . -1.412 . . 1 . . . . . . . . . . . 27963 1 80 DNH . 1 1 122 122 ASP N N 15 . . 1 1 122 122 ASP H H 1 . -2.235 . . 1 . . . . . . . . . . . 27963 1 81 DNH . 1 1 123 123 LEU N N 15 . . 1 1 123 123 LEU H H 1 . -4.06 . . 1 . . . . . . . . . . . 27963 1 82 DNH . 1 1 124 124 ASP N N 15 . . 1 1 124 124 ASP H H 1 . -3.604 . . 1 . . . . . . . . . . . 27963 1 83 DNH . 1 1 125 125 LEU N N 15 . . 1 1 125 125 LEU H H 1 . -3.62 . . 1 . . . . . . . . . . . 27963 1 84 DNH . 1 1 126 126 ASP N N 15 . . 1 1 126 126 ASP H H 1 . -3.794 . . 1 . . . . . . . . . . . 27963 1 85 DNH . 1 1 127 127 GLU N N 15 . . 1 1 127 127 GLU H H 1 . -4.756 . . 1 . . . . . . . . . . . 27963 1 86 DNH . 1 1 128 128 VAL N N 15 . . 1 1 128 128 VAL H H 1 . -8.45 . . 1 . . . . . . . . . . . 27963 1 87 DNH . 1 1 129 129 GLU N N 15 . . 1 1 129 129 GLU H H 1 . -8.746 . . 1 . . . . . . . . . . . 27963 1 88 DNH . 1 1 131 131 GLU N N 15 . . 1 1 131 131 GLU H H 1 . -8.664 . . 1 . . . . . . . . . . . 27963 1 89 DNH . 1 1 133 133 ASP N N 15 . . 1 1 133 133 ASP H H 1 . -8.35 . . 1 . . . . . . . . . . . 27963 1 90 DNH . 1 1 134 134 LEU N N 15 . . 1 1 134 134 LEU H H 1 . -6.904 . . 1 . . . . . . . . . . . 27963 1 91 DNH . 1 1 135 135 GLU N N 15 . . 1 1 135 135 GLU H H 1 . -5.14 . . 1 . . . . . . . . . . . 27963 1 92 DNH . 1 1 136 136 ALA N N 15 . . 1 1 136 136 ALA H H 1 . -6.064 . . 1 . . . . . . . . . . . 27963 1 93 DNH . 1 1 137 137 ASP N N 15 . . 1 1 137 137 ASP H H 1 . -9.546 . . 1 . . . . . . . . . . . 27963 1 94 DNH . 1 1 138 138 ASP N N 15 . . 1 1 138 138 ASP H H 1 . -6.71 . . 1 . . . . . . . . . . . 27963 1 95 DNH . 1 1 139 139 PHE N N 15 . . 1 1 139 139 PHE H H 1 . -4.685 . . 1 . . . . . . . . . . . 27963 1 96 DNH . 1 1 140 140 ASP N N 15 . . 1 1 140 140 ASP H H 1 . -7.235 . . 1 . . . . . . . . . . . 27963 1 97 DNH . 1 1 141 141 GLU N N 15 . . 1 1 141 141 GLU H H 1 . -7.838 . . 1 . . . . . . . . . . . 27963 1 98 DNH . 1 1 142 142 GLU N N 15 . . 1 1 142 142 GLU H H 1 . -6.671 . . 1 . . . . . . . . . . . 27963 1 99 DNH . 1 1 143 143 ASP N N 15 . . 1 1 143 143 ASP H H 1 . -7.144 . . 1 . . . . . . . . . . . 27963 1 100 DNH . 1 1 144 144 LEU N N 15 . . 1 1 144 144 LEU H H 1 . -9.414 . . 1 . . . . . . . . . . . 27963 1 101 DNH . 1 1 145 145 ASP N N 15 . . 1 1 145 145 ASP H H 1 . -7.446 . . 1 . . . . . . . . . . . 27963 1 102 DNH . 1 1 146 146 GLU N N 15 . . 1 1 146 146 GLU H H 1 . -8.215 . . 1 . . . . . . . . . . . 27963 1 103 DNH . 1 1 148 148 ASP N N 15 . . 1 1 148 148 ASP H H 1 . -5.817 . . 1 . . . . . . . . . . . 27963 1 104 DNH . 1 1 149 149 ASP N N 15 . . 1 1 149 149 ASP H H 1 . -4.04 . . 1 . . . . . . . . . . . 27963 1 105 DNH . 1 1 150 150 ASP N N 15 . . 1 1 150 150 ASP H H 1 . -3.279 . . 1 . . . . . . . . . . . 27963 1 106 DNH . 1 1 152 152 GLU N N 15 . . 1 1 152 152 GLU H H 1 . -6.7 . . 1 . . . . . . . . . . . 27963 1 107 DNH . 1 1 154 154 GLU N N 15 . . 1 1 154 154 GLU H H 1 . -9.463 . . 1 . . . . . . . . . . . 27963 1 108 DNH . 1 1 155 155 GLU N N 15 . . 1 1 155 155 GLU H H 1 . -9.94 . . 1 . . . . . . . . . . . 27963 1 109 DNH . 1 1 156 156 ASP N N 15 . . 1 1 156 156 ASP H H 1 . -8.473 . . 1 . . . . . . . . . . . 27963 1 110 DNH . 1 1 157 157 ILE N N 15 . . 1 1 157 157 ILE H H 1 . -8.52 . . 1 . . . . . . . . . . . 27963 1 111 DNH . 1 1 158 158 ILE N N 15 . . 1 1 158 158 ILE H H 1 . -8.652 . . 1 . . . . . . . . . . . 27963 1 112 DNH . 1 1 159 159 ASP N N 15 . . 1 1 159 159 ASP H H 1 . -9.69 . . 1 . . . . . . . . . . . 27963 1 113 DNH . 1 1 160 160 GLU N N 15 . . 1 1 160 160 GLU H H 1 . -6.859 . . 1 . . . . . . . . . . . 27963 1 114 DNH . 1 1 161 161 ASP N N 15 . . 1 1 161 161 ASP H H 1 . -4.985 . . 1 . . . . . . . . . . . 27963 1 115 DNH . 1 1 162 162 ASP N N 15 . . 1 1 162 162 ASP H H 1 . -4.852 . . 1 . . . . . . . . . . . 27963 1 116 DNH . 1 1 163 163 GLU N N 15 . . 1 1 163 163 GLU H H 1 . -4.307 . . 1 . . . . . . . . . . . 27963 1 117 DNH . 1 1 164 164 ASP N N 15 . . 1 1 164 164 ASP H H 1 . -3.636 . . 1 . . . . . . . . . . . 27963 1 118 DNH . 1 1 165 165 TYR N N 15 . . 1 1 165 165 TYR H H 1 . -3.33 . . 1 . . . . . . . . . . . 27963 1 119 DNH . 1 1 166 166 ASP N N 15 . . 1 1 166 166 ASP H H 1 . -4.113 . . 1 . . . . . . . . . . . 27963 1 120 DNH . 1 1 167 167 ASP N N 15 . . 1 1 167 167 ASP H H 1 . -3.571 . . 1 . . . . . . . . . . . 27963 1 121 DNH . 1 1 169 169 GLU N N 15 . . 1 1 169 169 GLU H H 1 . -2.011 . . 1 . . . . . . . . . . . 27963 1 122 DNH . 1 1 170 170 GLU N N 15 . . 1 1 170 170 GLU H H 1 . -2.846 . . 1 . . . . . . . . . . . 27963 1 123 DNH . 1 1 173 173 LYS N N 15 . . 1 1 173 173 LYS H H 1 . -2.771 . . 1 . . . . . . . . . . . 27963 1 124 DHC . 1 1 3 3 ILE H H 1 . . 1 1 2 2 GLY C C 13 . 3.81 . . 0.48 . . . . . . . . . . . 27963 1 125 DHC . 1 1 4 4 LYS H H 1 . . 1 1 3 3 ILE C C 13 . 0.636 . . 0.48 . . . . . . . . . . . 27963 1 126 DHC . 1 1 5 5 GLN H H 1 . . 1 1 4 4 LYS C C 13 . -2.351 . . 0.48 . . . . . . . . . . . 27963 1 127 DHC . 1 1 6 6 TYR H H 1 . . 1 1 5 5 GLN C C 13 . 2.143 . . 0.48 . . . . . . . . . . . 27963 1 128 DHC . 1 1 7 7 SER H H 1 . . 1 1 6 6 TYR C C 13 . 4.178 . . 0.48 . . . . . . . . . . . 27963 1 129 DHC . 1 1 8 8 GLN H H 1 . . 1 1 7 7 SER C C 13 . -4.288 . . 0.48 . . . . . . . . . . . 27963 1 130 DHC . 1 1 9 9 GLU H H 1 . . 1 1 8 8 GLN C C 13 . 1.385 . . 0.48 . . . . . . . . . . . 27963 1 131 DHC . 1 1 10 10 GLU H H 1 . . 1 1 9 9 GLU C C 13 . -3.147 . . 0.48 . . . . . . . . . . . 27963 1 132 DHC . 1 1 11 11 LEU H H 1 . . 1 1 10 10 GLU C C 13 . 1.532 . . 0.48 . . . . . . . . . . . 27963 1 133 DHC . 1 1 12 12 LYS H H 1 . . 1 1 11 11 LEU C C 13 . -4.92 . . 0.48 . . . . . . . . . . . 27963 1 134 DHC . 1 1 13 13 GLU H H 1 . . 1 1 12 12 LYS C C 13 . -3.594 . . 0.48 . . . . . . . . . . . 27963 1 135 DHC . 1 1 14 14 MET H H 1 . . 1 1 13 13 GLU C C 13 . 2.684 . . 0.48 . . . . . . . . . . . 27963 1 136 DHC . 1 1 15 15 ALA H H 1 . . 1 1 14 14 MET C C 13 . -3.468 . . 0.48 . . . . . . . . . . . 27963 1 137 DHC . 1 1 17 17 VAL H H 1 . . 1 1 16 16 LEU C C 13 . 4.141 . . 0.48 . . . . . . . . . . . 27963 1 138 DHC . 1 1 18 18 GLU H H 1 . . 1 1 17 17 VAL C C 13 . -5.636 . . 0.48 . . . . . . . . . . . 27963 1 139 DHC . 1 1 19 19 ILE H H 1 . . 1 1 18 18 GLU C C 13 . 13.989 . . 0.48 . . . . . . . . . . . 27963 1 140 DHC . 1 1 21 21 HIS H H 1 . . 1 1 20 20 ALA C C 13 . 1.94 . . 0.48 . . . . . . . . . . . 27963 1 141 DHC . 1 1 23 23 LEU H H 1 . . 1 1 22 22 GLU C C 13 . 1.306 . . 0.48 . . . . . . . . . . . 27963 1 142 DHC . 1 1 24 24 PHE H H 1 . . 1 1 23 23 LEU C C 13 . 6.082 . . 0.48 . . . . . . . . . . . 27963 1 143 DHC . 1 1 25 25 GLU H H 1 . . 1 1 24 24 PHE C C 13 . 1.17 . . 0.48 . . . . . . . . . . . 27963 1 144 DHC . 1 1 26 26 GLU H H 1 . . 1 1 25 25 GLU C C 13 . -1.783 . . 0.48 . . . . . . . . . . . 27963 1 145 DHC . 1 1 29 29 LYS H H 1 . . 1 1 28 28 LYS C C 13 . -3.599 . . 0.48 . . . . . . . . . . . 27963 1 146 DHC . 1 1 31 31 VAL H H 1 . . 1 1 30 30 PRO C C 13 . 10.206 . . 0.48 . . . . . . . . . . . 27963 1 147 DHC . 1 1 33 33 PHE H H 1 . . 1 1 32 32 PRO C C 13 . 1.708 . . 0.48 . . . . . . . . . . . 27963 1 148 DHC . 1 1 34 34 GLN H H 1 . . 1 1 33 33 PHE C C 13 . 1.125 . . 0.48 . . . . . . . . . . . 27963 1 149 DHC . 1 1 35 35 GLU H H 1 . . 1 1 34 34 GLN C C 13 . -8.543 . . 0.48 . . . . . . . . . . . 27963 1 150 DHC . 1 1 36 36 LEU H H 1 . . 1 1 35 35 GLU C C 13 . -5.399 . . 0.48 . . . . . . . . . . . 27963 1 151 DHC . 1 1 37 37 LEU H H 1 . . 1 1 36 36 LEU C C 13 . 0.709 . . 0.48 . . . . . . . . . . . 27963 1 152 DHC . 1 1 38 38 ASN H H 1 . . 1 1 37 37 LEU C C 13 . -3.339 . . 0.48 . . . . . . . . . . . 27963 1 153 DHC . 1 1 39 39 GLU H H 1 . . 1 1 38 38 ASN C C 13 . 0.392 . . 0.48 . . . . . . . . . . . 27963 1 154 DHC . 1 1 40 40 ILE H H 1 . . 1 1 39 39 GLU C C 13 . -0.801 . . 0.48 . . . . . . . . . . . 27963 1 155 DHC . 1 1 42 42 SER H H 1 . . 1 1 41 41 ALA C C 13 . -4.014 . . 0.48 . . . . . . . . . . . 27963 1 156 DHC . 1 1 43 43 LEU H H 1 . . 1 1 42 42 SER C C 13 . -32.62 . . 0.48 . . . . . . . . . . . 27963 1 157 DHC . 1 1 46 46 VAL H H 1 . . 1 1 45 45 GLY C C 13 . -4.269 . . 0.48 . . . . . . . . . . . 27963 1 158 DHC . 1 1 47 47 LYS H H 1 . . 1 1 46 46 VAL C C 13 . 1.691 . . 0.48 . . . . . . . . . . . 27963 1 159 DHC . 1 1 48 48 LYS H H 1 . . 1 1 47 47 LYS C C 13 . -3.384 . . 0.48 . . . . . . . . . . . 27963 1 160 DHC . 1 1 49 49 GLU H H 1 . . 1 1 48 48 LYS C C 13 . -1.09 . . 0.48 . . . . . . . . . . . 27963 1 161 DHC . 1 1 52 52 GLY H H 1 . . 1 1 51 51 LEU C C 13 . -0.46 . . 0.48 . . . . . . . . . . . 27963 1 162 DHC . 1 1 53 53 ASP H H 1 . . 1 1 52 52 GLY C C 13 . -1.119 . . 0.48 . . . . . . . . . . . 27963 1 163 DHC . 1 1 54 54 ARG H H 1 . . 1 1 53 53 ASP C C 13 . 1.173 . . 0.48 . . . . . . . . . . . 27963 1 164 DHC . 1 1 55 55 ILE H H 1 . . 1 1 54 54 ARG C C 13 . -8.983 . . 0.48 . . . . . . . . . . . 27963 1 165 DHC . 1 1 65 65 ASP H H 1 . . 1 1 64 64 ILE C C 13 . 0.443 . . 0.48 . . . . . . . . . . . 27963 1 166 DHC . 1 1 69 69 LEU H H 1 . . 1 1 68 68 PHE C C 13 . 8.064 . . 0.48 . . . . . . . . . . . 27963 1 167 DHC . 1 1 75 75 THR H H 1 . . 1 1 74 74 GLN C C 13 . -6.136 . . 0.48 . . . . . . . . . . . 27963 1 168 DHC . 1 1 82 82 TYR H H 1 . . 1 1 81 81 TRP C C 13 . 7.193 . . 0.48 . . . . . . . . . . . 27963 1 169 DHC . 1 1 84 84 TYR H H 1 . . 1 1 83 83 PRO C C 13 . 3.3 . . 0.48 . . . . . . . . . . . 27963 1 170 DHC . 1 1 85 85 ASP H H 1 . . 1 1 84 84 TYR C C 13 . 0.448 . . 0.48 . . . . . . . . . . . 27963 1 171 DHC . 1 1 86 86 GLN H H 1 . . 1 1 85 85 ASP C C 13 . 0.8 . . 0.48 . . . . . . . . . . . 27963 1 172 DHC . 1 1 87 87 LEU H H 1 . . 1 1 86 86 GLN C C 13 . 2.621 . . 0.48 . . . . . . . . . . . 27963 1 173 DHC . 1 1 88 88 ASP H H 1 . . 1 1 87 87 LEU C C 13 . 1.057 . . 0.48 . . . . . . . . . . . 27963 1 174 DHC . 1 1 90 90 GLU H H 1 . . 1 1 89 89 GLU C C 13 . 1.371 . . 0.48 . . . . . . . . . . . 27963 1 175 DHC . 1 1 91 91 THR H H 1 . . 1 1 90 90 GLU C C 13 . 1.574 . . 0.48 . . . . . . . . . . . 27963 1 176 DHC . 1 1 92 92 GLN H H 1 . . 1 1 91 91 THR C C 13 . 3.179 . . 0.48 . . . . . . . . . . . 27963 1 177 DHC . 1 1 94 94 THR H H 1 . . 1 1 93 93 PRO C C 13 . 2.259 . . 0.48 . . . . . . . . . . . 27963 1 178 DHC . 1 1 95 95 VAL H H 1 . . 1 1 94 94 THR C C 13 . 1.098 . . 0.48 . . . . . . . . . . . 27963 1 179 DHC . 1 1 96 96 LYS H H 1 . . 1 1 95 95 VAL C C 13 . 2.591 . . 0.48 . . . . . . . . . . . 27963 1 180 DHC . 1 1 97 97 ALA H H 1 . . 1 1 96 96 LYS C C 13 . 1.994 . . 0.48 . . . . . . . . . . . 27963 1 181 DHC . 1 1 98 98 LYS H H 1 . . 1 1 97 97 ALA C C 13 . 1.374 . . 0.48 . . . . . . . . . . . 27963 1 182 DHC . 1 1 100 100 LYS H H 1 . . 1 1 99 99 LYS C C 13 . 0.591 . . 0.48 . . . . . . . . . . . 27963 1 183 DHC . 1 1 101 101 LYS H H 1 . . 1 1 100 100 LYS C C 13 . 1.761 . . 0.48 . . . . . . . . . . . 27963 1 184 DHC . 1 1 102 102 ALA H H 1 . . 1 1 101 101 LYS C C 13 . 1.304 . . 0.48 . . . . . . . . . . . 27963 1 185 DHC . 1 1 103 103 LYS H H 1 . . 1 1 102 102 ALA C C 13 . 0.74 . . 0.48 . . . . . . . . . . . 27963 1 186 DHC . 1 1 104 104 LYS H H 1 . . 1 1 103 103 LYS C C 13 . 0.795 . . 0.48 . . . . . . . . . . . 27963 1 187 DHC . 1 1 105 105 ALA H H 1 . . 1 1 104 104 LYS C C 13 . 0.743 . . 0.48 . . . . . . . . . . . 27963 1 188 DHC . 1 1 107 107 GLU H H 1 . . 1 1 106 106 VAL C C 13 . -0.06 . . 0.48 . . . . . . . . . . . 27963 1 189 DHC . 1 1 108 108 GLU H H 1 . . 1 1 107 107 GLU C C 13 . 1.18 . . 0.48 . . . . . . . . . . . 27963 1 190 DHC . 1 1 111 111 ASP H H 1 . . 1 1 110 110 LEU C C 13 . 1.195 . . 0.48 . . . . . . . . . . . 27963 1 191 DHC . 1 1 113 113 ASP H H 1 . . 1 1 112 112 LEU C C 13 . 0.262 . . 0.48 . . . . . . . . . . . 27963 1 192 DHC . 1 1 114 114 GLU H H 1 . . 1 1 113 113 ASP C C 13 . 0.217 . . 0.48 . . . . . . . . . . . 27963 1 193 DHC . 1 1 115 115 PHE H H 1 . . 1 1 114 114 GLU C C 13 . 0.588 . . 0.48 . . . . . . . . . . . 27963 1 194 DHC . 1 1 116 116 GLU H H 1 . . 1 1 115 115 PHE C C 13 . -0.262 . . 0.48 . . . . . . . . . . . 27963 1 195 DHC . 1 1 117 117 GLU H H 1 . . 1 1 116 116 GLU C C 13 . 1.141 . . 0.48 . . . . . . . . . . . 27963 1 196 DHC . 1 1 118 118 ILE H H 1 . . 1 1 117 117 GLU C C 13 . 0.788 . . 0.48 . . . . . . . . . . . 27963 1 197 DHC . 1 1 119 119 ASP H H 1 . . 1 1 118 118 ILE C C 13 . 1.08 . . 0.48 . . . . . . . . . . . 27963 1 198 DHC . 1 1 120 120 GLU H H 1 . . 1 1 119 119 ASP C C 13 . 1.071 . . 0.48 . . . . . . . . . . . 27963 1 199 DHC . 1 1 121 121 ASP H H 1 . . 1 1 120 120 GLU C C 13 . 0.557 . . 0.48 . . . . . . . . . . . 27963 1 200 DHC . 1 1 122 122 ASP H H 1 . . 1 1 121 121 ASP C C 13 . 1.82 . . 0.48 . . . . . . . . . . . 27963 1 201 DHC . 1 1 124 124 ASP H H 1 . . 1 1 123 123 LEU C C 13 . 1.554 . . 0.48 . . . . . . . . . . . 27963 1 202 DHC . 1 1 125 125 LEU H H 1 . . 1 1 124 124 ASP C C 13 . 1.386 . . 0.48 . . . . . . . . . . . 27963 1 203 DHC . 1 1 127 127 GLU H H 1 . . 1 1 126 126 ASP C C 13 . 1.911 . . 0.48 . . . . . . . . . . . 27963 1 204 DHC . 1 1 128 128 VAL H H 1 . . 1 1 127 127 GLU C C 13 . 1.513 . . 0.48 . . . . . . . . . . . 27963 1 205 DHC . 1 1 129 129 GLU H H 1 . . 1 1 128 128 VAL C C 13 . 1.418 . . 0.48 . . . . . . . . . . . 27963 1 206 DHC . 1 1 131 131 GLU H H 1 . . 1 1 130 130 GLU C C 13 . 0.819 . . 0.48 . . . . . . . . . . . 27963 1 207 DHC . 1 1 133 133 ASP H H 1 . . 1 1 132 132 LEU C C 13 . 1.283 . . 0.48 . . . . . . . . . . . 27963 1 208 DHC . 1 1 134 134 LEU H H 1 . . 1 1 133 133 ASP C C 13 . 2.227 . . 0.48 . . . . . . . . . . . 27963 1 209 DHC . 1 1 135 135 GLU H H 1 . . 1 1 134 134 LEU C C 13 . 2.903 . . 0.48 . . . . . . . . . . . 27963 1 210 DHC . 1 1 136 136 ALA H H 1 . . 1 1 135 135 GLU C C 13 . 0.758 . . 0.48 . . . . . . . . . . . 27963 1 211 DHC . 1 1 137 137 ASP H H 1 . . 1 1 136 136 ALA C C 13 . 1.457 . . 0.48 . . . . . . . . . . . 27963 1 212 DHC . 1 1 138 138 ASP H H 1 . . 1 1 137 137 ASP C C 13 . 2.474 . . 0.48 . . . . . . . . . . . 27963 1 213 DHC . 1 1 139 139 PHE H H 1 . . 1 1 138 138 ASP C C 13 . 1.587 . . 0.48 . . . . . . . . . . . 27963 1 214 DHC . 1 1 141 141 GLU H H 1 . . 1 1 140 140 ASP C C 13 . 2.514 . . 0.48 . . . . . . . . . . . 27963 1 215 DHC . 1 1 142 142 GLU H H 1 . . 1 1 141 141 GLU C C 13 . 2.185 . . 0.48 . . . . . . . . . . . 27963 1 216 DHC . 1 1 144 144 LEU H H 1 . . 1 1 143 143 ASP C C 13 . 2.855 . . 0.48 . . . . . . . . . . . 27963 1 217 DHC . 1 1 145 145 ASP H H 1 . . 1 1 144 144 LEU C C 13 . 2.194 . . 0.48 . . . . . . . . . . . 27963 1 218 DHC . 1 1 146 146 GLU H H 1 . . 1 1 145 145 ASP C C 13 . 2.864 . . 0.48 . . . . . . . . . . . 27963 1 219 DHC . 1 1 149 149 ASP H H 1 . . 1 1 148 148 ASP C C 13 . 3.099 . . 0.48 . . . . . . . . . . . 27963 1 220 DHC . 1 1 152 152 GLU H H 1 . . 1 1 151 151 LEU C C 13 . 2.049 . . 0.48 . . . . . . . . . . . 27963 1 221 DHC . 1 1 154 154 GLU H H 1 . . 1 1 153 153 ILE C C 13 . 1.227 . . 0.48 . . . . . . . . . . . 27963 1 222 DHC . 1 1 156 156 ASP H H 1 . . 1 1 155 155 GLU C C 13 . 2.255 . . 0.48 . . . . . . . . . . . 27963 1 223 DHC . 1 1 157 157 ILE H H 1 . . 1 1 156 156 ASP C C 13 . 2.641 . . 0.48 . . . . . . . . . . . 27963 1 224 DHC . 1 1 158 158 ILE H H 1 . . 1 1 157 157 ILE C C 13 . 0.736 . . 0.48 . . . . . . . . . . . 27963 1 225 DHC . 1 1 159 159 ASP H H 1 . . 1 1 158 158 ILE C C 13 . 1.754 . . 0.48 . . . . . . . . . . . 27963 1 226 DHC . 1 1 161 161 ASP H H 1 . . 1 1 160 160 GLU C C 13 . 1.52 . . 0.48 . . . . . . . . . . . 27963 1 227 DHC . 1 1 162 162 ASP H H 1 . . 1 1 161 161 ASP C C 13 . 1.549 . . 0.48 . . . . . . . . . . . 27963 1 228 DHC . 1 1 163 163 GLU H H 1 . . 1 1 162 162 ASP C C 13 . 2.197 . . 0.48 . . . . . . . . . . . 27963 1 229 DHC . 1 1 164 164 ASP H H 1 . . 1 1 163 163 GLU C C 13 . 1.111 . . 0.48 . . . . . . . . . . . 27963 1 230 DHC . 1 1 165 165 TYR H H 1 . . 1 1 164 164 ASP C C 13 . 1.253 . . 0.48 . . . . . . . . . . . 27963 1 231 DHC . 1 1 167 167 ASP H H 1 . . 1 1 166 166 ASP C C 13 . 1.244 . . 0.48 . . . . . . . . . . . 27963 1 232 DHC . 1 1 169 169 GLU H H 1 . . 1 1 168 168 GLU C C 13 . 0.721 . . 0.48 . . . . . . . . . . . 27963 1 233 DHC . 1 1 170 170 GLU H H 1 . . 1 1 169 169 GLU C C 13 . 0.774 . . 0.48 . . . . . . . . . . . 27963 1 234 DHC . 1 1 173 173 LYS H H 1 . . 1 1 172 172 ILE C C 13 . 0.845 . . 0.48 . . . . . . . . . . . 27963 1 235 DNC . 1 1 3 3 ILE N N 15 . . 1 1 2 2 GLY C C 13 . -3.81 . . 0.49 . . . . . . . . . . . 27963 1 236 DNC . 1 1 4 4 LYS N N 15 . . 1 1 3 3 ILE C C 13 . -0.636 . . 0.49 . . . . . . . . . . . 27963 1 237 DNC . 1 1 5 5 GLN N N 15 . . 1 1 4 4 LYS C C 13 . 2.351 . . 0.49 . . . . . . . . . . . 27963 1 238 DNC . 1 1 6 6 TYR N N 15 . . 1 1 5 5 GLN C C 13 . -2.143 . . 0.49 . . . . . . . . . . . 27963 1 239 DNC . 1 1 7 7 SER N N 15 . . 1 1 6 6 TYR C C 13 . -4.178 . . 0.49 . . . . . . . . . . . 27963 1 240 DNC . 1 1 8 8 GLN N N 15 . . 1 1 7 7 SER C C 13 . 4.288 . . 0.49 . . . . . . . . . . . 27963 1 241 DNC . 1 1 9 9 GLU N N 15 . . 1 1 8 8 GLN C C 13 . -1.385 . . 0.49 . . . . . . . . . . . 27963 1 242 DNC . 1 1 10 10 GLU N N 15 . . 1 1 9 9 GLU C C 13 . 2.608 . . 0.49 . . . . . . . . . . . 27963 1 243 DNC . 1 1 11 11 LEU N N 15 . . 1 1 10 10 GLU C C 13 . -0.468 . . 0.49 . . . . . . . . . . . 27963 1 244 DNC . 1 1 12 12 LYS N N 15 . . 1 1 11 11 LEU C C 13 . 4.333 . . 0.49 . . . . . . . . . . . 27963 1 245 DNC . 1 1 13 13 GLU N N 15 . . 1 1 12 12 LYS C C 13 . -0.555 . . 0.49 . . . . . . . . . . . 27963 1 246 DNC . 1 1 14 14 MET N N 15 . . 1 1 13 13 GLU C C 13 . -0.942 . . 0.49 . . . . . . . . . . . 27963 1 247 DNC . 1 1 15 15 ALA N N 15 . . 1 1 14 14 MET C C 13 . 2.01 . . 0.49 . . . . . . . . . . . 27963 1 248 DNC . 1 1 17 17 VAL N N 15 . . 1 1 16 16 LEU C C 13 . -0.71 . . 0.49 . . . . . . . . . . . 27963 1 249 DNC . 1 1 18 18 GLU N N 15 . . 1 1 17 17 VAL C C 13 . -2.394 . . 0.49 . . . . . . . . . . . 27963 1 250 DNC . 1 1 19 19 ILE N N 15 . . 1 1 18 18 GLU C C 13 . -3.041 . . 0.49 . . . . . . . . . . . 27963 1 251 DNC . 1 1 21 21 HIS N N 15 . . 1 1 20 20 ALA C C 13 . -0.548 . . 0.49 . . . . . . . . . . . 27963 1 252 DNC . 1 1 23 23 LEU N N 15 . . 1 1 22 22 GLU C C 13 . -0.147 . . 0.49 . . . . . . . . . . . 27963 1 253 DNC . 1 1 24 24 PHE N N 15 . . 1 1 23 23 LEU C C 13 . 3.205 . . 0.49 . . . . . . . . . . . 27963 1 254 DNC . 1 1 25 25 GLU N N 15 . . 1 1 24 24 PHE C C 13 . -0.215 . . 0.49 . . . . . . . . . . . 27963 1 255 DNC . 1 1 26 26 GLU N N 15 . . 1 1 25 25 GLU C C 13 . 2.387 . . 0.49 . . . . . . . . . . . 27963 1 256 DNC . 1 1 29 29 LYS N N 15 . . 1 1 28 28 LYS C C 13 . 1.001 . . 0.49 . . . . . . . . . . . 27963 1 257 DNC . 1 1 31 31 VAL N N 15 . . 1 1 30 30 PRO C C 13 . -0.965 . . 0.49 . . . . . . . . . . . 27963 1 258 DNC . 1 1 33 33 PHE N N 15 . . 1 1 32 32 PRO C C 13 . -2.659 . . 0.49 . . . . . . . . . . . 27963 1 259 DNC . 1 1 34 34 GLN N N 15 . . 1 1 33 33 PHE C C 13 . -2.186 . . 0.49 . . . . . . . . . . . 27963 1 260 DNC . 1 1 35 35 GLU N N 15 . . 1 1 34 34 GLN C C 13 . 8.829 . . 0.49 . . . . . . . . . . . 27963 1 261 DNC . 1 1 36 36 LEU N N 15 . . 1 1 35 35 GLU C C 13 . 1.466 . . 0.49 . . . . . . . . . . . 27963 1 262 DNC . 1 1 37 37 LEU N N 15 . . 1 1 36 36 LEU C C 13 . -1.331 . . 0.49 . . . . . . . . . . . 27963 1 263 DNC . 1 1 38 38 ASN N N 15 . . 1 1 37 37 LEU C C 13 . 0.939 . . 0.49 . . . . . . . . . . . 27963 1 264 DNC . 1 1 39 39 GLU N N 15 . . 1 1 38 38 ASN C C 13 . 0.19 . . 0.49 . . . . . . . . . . . 27963 1 265 DNC . 1 1 40 40 ILE N N 15 . . 1 1 39 39 GLU C C 13 . 0.891 . . 0.49 . . . . . . . . . . . 27963 1 266 DNC . 1 1 42 42 SER N N 15 . . 1 1 41 41 ALA C C 13 . -1.246 . . 0.49 . . . . . . . . . . . 27963 1 267 DNC . 1 1 43 43 LEU N N 15 . . 1 1 42 42 SER C C 13 . 0.929 . . 0.49 . . . . . . . . . . . 27963 1 268 DNC . 1 1 46 46 VAL N N 15 . . 1 1 45 45 GLY C C 13 . -0.399 . . 0.49 . . . . . . . . . . . 27963 1 269 DNC . 1 1 47 47 LYS N N 15 . . 1 1 46 46 VAL C C 13 . -0.431 . . 0.49 . . . . . . . . . . . 27963 1 270 DNC . 1 1 48 48 LYS N N 15 . . 1 1 47 47 LYS C C 13 . 0.664 . . 0.49 . . . . . . . . . . . 27963 1 271 DNC . 1 1 49 49 GLU N N 15 . . 1 1 48 48 LYS C C 13 . 1.874 . . 0.49 . . . . . . . . . . . 27963 1 272 DNC . 1 1 52 52 GLY N N 15 . . 1 1 51 51 LEU C C 13 . -0.82 . . 0.49 . . . . . . . . . . . 27963 1 273 DNC . 1 1 53 53 ASP N N 15 . . 1 1 52 52 GLY C C 13 . -2.979 . . 0.49 . . . . . . . . . . . 27963 1 274 DNC . 1 1 54 54 ARG N N 15 . . 1 1 53 53 ASP C C 13 . -0.438 . . 0.49 . . . . . . . . . . . 27963 1 275 DNC . 1 1 55 55 ILE N N 15 . . 1 1 54 54 ARG C C 13 . 3.992 . . 0.49 . . . . . . . . . . . 27963 1 276 DNC . 1 1 65 65 ASP N N 15 . . 1 1 64 64 ILE C C 13 . -0.048 . . 0.49 . . . . . . . . . . . 27963 1 277 DNC . 1 1 69 69 LEU N N 15 . . 1 1 68 68 PHE C C 13 . -2.579 . . 0.49 . . . . . . . . . . . 27963 1 278 DNC . 1 1 75 75 THR N N 15 . . 1 1 74 74 GLN C C 13 . 4.533 . . 0.49 . . . . . . . . . . . 27963 1 279 DNC . 1 1 82 82 TYR N N 15 . . 1 1 81 81 TRP C C 13 . -2.273 . . 0.49 . . . . . . . . . . . 27963 1 280 DNC . 1 1 84 84 TYR N N 15 . . 1 1 83 83 PRO C C 13 . -0.569 . . 0.49 . . . . . . . . . . . 27963 1 281 DNC . 1 1 85 85 ASP N N 15 . . 1 1 84 84 TYR C C 13 . 0.326 . . 0.49 . . . . . . . . . . . 27963 1 282 DNC . 1 1 86 86 GLN N N 15 . . 1 1 85 85 ASP C C 13 . 0.234 . . 0.49 . . . . . . . . . . . 27963 1 283 DNC . 1 1 87 87 LEU N N 15 . . 1 1 86 86 GLN C C 13 . -0.341 . . 0.49 . . . . . . . . . . . 27963 1 284 DNC . 1 1 88 88 ASP N N 15 . . 1 1 87 87 LEU C C 13 . 0.118 . . 0.49 . . . . . . . . . . . 27963 1 285 DNC . 1 1 90 90 GLU N N 15 . . 1 1 89 89 GLU C C 13 . -0.012 . . 0.49 . . . . . . . . . . . 27963 1 286 DNC . 1 1 91 91 THR N N 15 . . 1 1 90 90 GLU C C 13 . -0.266 . . 0.49 . . . . . . . . . . . 27963 1 287 DNC . 1 1 92 92 GLN N N 15 . . 1 1 91 91 THR C C 13 . -0.315 . . 0.49 . . . . . . . . . . . 27963 1 288 DNC . 1 1 94 94 THR N N 15 . . 1 1 93 93 PRO C C 13 . -0.692 . . 0.49 . . . . . . . . . . . 27963 1 289 DNC . 1 1 95 95 VAL N N 15 . . 1 1 94 94 THR C C 13 . 0.344 . . 0.49 . . . . . . . . . . . 27963 1 290 DNC . 1 1 96 96 LYS N N 15 . . 1 1 95 95 VAL C C 13 . -0.141 . . 0.49 . . . . . . . . . . . 27963 1 291 DNC . 1 1 97 97 ALA N N 15 . . 1 1 96 96 LYS C C 13 . -0.52 . . 0.49 . . . . . . . . . . . 27963 1 292 DNC . 1 1 98 98 LYS N N 15 . . 1 1 97 97 ALA C C 13 . 0.42 . . 0.49 . . . . . . . . . . . 27963 1 293 DNC . 1 1 100 100 LYS N N 15 . . 1 1 99 99 LYS C C 13 . 0.709 . . 0.49 . . . . . . . . . . . 27963 1 294 DNC . 1 1 101 101 LYS N N 15 . . 1 1 100 100 LYS C C 13 . -0.012 . . 0.49 . . . . . . . . . . . 27963 1 295 DNC . 1 1 102 102 ALA N N 15 . . 1 1 101 101 LYS C C 13 . -0.13 . . 0.49 . . . . . . . . . . . 27963 1 296 DNC . 1 1 103 103 LYS N N 15 . . 1 1 102 102 ALA C C 13 . 0.4 . . 0.49 . . . . . . . . . . . 27963 1 297 DNC . 1 1 104 104 LYS N N 15 . . 1 1 103 103 LYS C C 13 . 0.165 . . 0.49 . . . . . . . . . . . 27963 1 298 DNC . 1 1 105 105 ALA N N 15 . . 1 1 104 104 LYS C C 13 . -0.102 . . 0.49 . . . . . . . . . . . 27963 1 299 DNC . 1 1 107 107 GLU N N 15 . . 1 1 106 106 VAL C C 13 . 0.251 . . 0.49 . . . . . . . . . . . 27963 1 300 DNC . 1 1 108 108 GLU N N 15 . . 1 1 107 107 GLU C C 13 . -0.479 . . 0.49 . . . . . . . . . . . 27963 1 301 DNC . 1 1 111 111 ASP N N 15 . . 1 1 110 110 LEU C C 13 . -0.036 . . 0.49 . . . . . . . . . . . 27963 1 302 DNC . 1 1 113 113 ASP N N 15 . . 1 1 112 112 LEU C C 13 . -0.071 . . 0.49 . . . . . . . . . . . 27963 1 303 DNC . 1 1 114 114 GLU N N 15 . . 1 1 113 113 ASP C C 13 . -0.061 . . 0.49 . . . . . . . . . . . 27963 1 304 DNC . 1 1 115 115 PHE N N 15 . . 1 1 114 114 GLU C C 13 . 0.103 . . 0.49 . . . . . . . . . . . 27963 1 305 DNC . 1 1 116 116 GLU N N 15 . . 1 1 115 115 PHE C C 13 . 0.112 . . 0.49 . . . . . . . . . . . 27963 1 306 DNC . 1 1 117 117 GLU N N 15 . . 1 1 116 116 GLU C C 13 . -0.057 . . 0.49 . . . . . . . . . . . 27963 1 307 DNC . 1 1 118 118 ILE N N 15 . . 1 1 117 117 GLU C C 13 . 0.242 . . 0.49 . . . . . . . . . . . 27963 1 308 DNC . 1 1 119 119 ASP N N 15 . . 1 1 118 118 ILE C C 13 . -0.033 . . 0.49 . . . . . . . . . . . 27963 1 309 DNC . 1 1 120 120 GLU N N 15 . . 1 1 119 119 ASP C C 13 . -0.128 . . 0.49 . . . . . . . . . . . 27963 1 310 DNC . 1 1 121 121 ASP N N 15 . . 1 1 120 120 GLU C C 13 . -0.083 . . 0.49 . . . . . . . . . . . 27963 1 311 DNC . 1 1 122 122 ASP N N 15 . . 1 1 121 121 ASP C C 13 . -0.309 . . 0.49 . . . . . . . . . . . 27963 1 312 DNC . 1 1 124 124 ASP N N 15 . . 1 1 123 123 LEU C C 13 . -0.203 . . 0.49 . . . . . . . . . . . 27963 1 313 DNC . 1 1 125 125 LEU N N 15 . . 1 1 124 124 ASP C C 13 . -0.065 . . 0.49 . . . . . . . . . . . 27963 1 314 DNC . 1 1 127 127 GLU N N 15 . . 1 1 126 126 ASP C C 13 . -0.262 . . 0.49 . . . . . . . . . . . 27963 1 315 DNC . 1 1 128 128 VAL N N 15 . . 1 1 127 127 GLU C C 13 . 0.289 . . 0.49 . . . . . . . . . . . 27963 1 316 DNC . 1 1 129 129 GLU N N 15 . . 1 1 128 128 VAL C C 13 . 0.213 . . 0.49 . . . . . . . . . . . 27963 1 317 DNC . 1 1 131 131 GLU N N 15 . . 1 1 130 130 GLU C C 13 . 0.059 . . 0.49 . . . . . . . . . . . 27963 1 318 DNC . 1 1 133 133 ASP N N 15 . . 1 1 132 132 LEU C C 13 . 0.053 . . 0.49 . . . . . . . . . . . 27963 1 319 DNC . 1 1 134 134 LEU N N 15 . . 1 1 133 133 ASP C C 13 . -0.218 . . 0.49 . . . . . . . . . . . 27963 1 320 DNC . 1 1 135 135 GLU N N 15 . . 1 1 134 134 LEU C C 13 . -0.428 . . 0.49 . . . . . . . . . . . 27963 1 321 DNC . 1 1 136 136 ALA N N 15 . . 1 1 135 135 GLU C C 13 . 0.316 . . 0.49 . . . . . . . . . . . 27963 1 322 DNC . 1 1 137 137 ASP N N 15 . . 1 1 136 136 ALA C C 13 . 0.093 . . 0.49 . . . . . . . . . . . 27963 1 323 DNC . 1 1 138 138 ASP N N 15 . . 1 1 137 137 ASP C C 13 . -0.332 . . 0.49 . . . . . . . . . . . 27963 1 324 DNC . 1 1 139 139 PHE N N 15 . . 1 1 138 138 ASP C C 13 . 0.034 . . 0.49 . . . . . . . . . . . 27963 1 325 DNC . 1 1 141 141 GLU N N 15 . . 1 1 140 140 ASP C C 13 . -0.212 . . 0.49 . . . . . . . . . . . 27963 1 326 DNC . 1 1 142 142 GLU N N 15 . . 1 1 141 141 GLU C C 13 . -0.204 . . 0.49 . . . . . . . . . . . 27963 1 327 DNC . 1 1 144 144 LEU N N 15 . . 1 1 143 143 ASP C C 13 . 0.15 . . 0.49 . . . . . . . . . . . 27963 1 328 DNC . 1 1 145 145 ASP N N 15 . . 1 1 144 144 LEU C C 13 . -0.085 . . 0.49 . . . . . . . . . . . 27963 1 329 DNC . 1 1 146 146 GLU N N 15 . . 1 1 145 145 ASP C C 13 . -0.094 . . 0.49 . . . . . . . . . . . 27963 1 330 DNC . 1 1 149 149 ASP N N 15 . . 1 1 148 148 ASP C C 13 . -0.383 . . 0.49 . . . . . . . . . . . 27963 1 331 DNC . 1 1 152 152 GLU N N 15 . . 1 1 151 151 LEU C C 13 . -0.101 . . 0.49 . . . . . . . . . . . 27963 1 332 DNC . 1 1 154 154 GLU N N 15 . . 1 1 153 153 ILE C C 13 . 0.08 . . 0.49 . . . . . . . . . . . 27963 1 333 DNC . 1 1 156 156 ASP N N 15 . . 1 1 155 155 GLU C C 13 . -0.14 . . 0.49 . . . . . . . . . . . 27963 1 334 DNC . 1 1 157 157 ILE N N 15 . . 1 1 156 156 ASP C C 13 . -0.062 . . 0.49 . . . . . . . . . . . 27963 1 335 DNC . 1 1 158 158 ILE N N 15 . . 1 1 157 157 ILE C C 13 . 0.379 . . 0.49 . . . . . . . . . . . 27963 1 336 DNC . 1 1 159 159 ASP N N 15 . . 1 1 158 158 ILE C C 13 . 0.239 . . 0.49 . . . . . . . . . . . 27963 1 337 DNC . 1 1 161 161 ASP N N 15 . . 1 1 160 160 GLU C C 13 . 0.043 . . 0.49 . . . . . . . . . . . 27963 1 338 DNC . 1 1 162 162 ASP N N 15 . . 1 1 161 161 ASP C C 13 . -0.041 . . 0.49 . . . . . . . . . . . 27963 1 339 DNC . 1 1 163 163 GLU N N 15 . . 1 1 162 162 ASP C C 13 . -0.182 . . 0.49 . . . . . . . . . . . 27963 1 340 DNC . 1 1 164 164 ASP N N 15 . . 1 1 163 163 GLU C C 13 . 0.047 . . 0.49 . . . . . . . . . . . 27963 1 341 DNC . 1 1 165 165 TYR N N 15 . . 1 1 164 164 ASP C C 13 . -0.04 . . 0.49 . . . . . . . . . . . 27963 1 342 DNC . 1 1 167 167 ASP N N 15 . . 1 1 166 166 ASP C C 13 . -0.039 . . 0.49 . . . . . . . . . . . 27963 1 343 DNC . 1 1 169 169 GLU N N 15 . . 1 1 168 168 GLU C C 13 . 0.091 . . 0.49 . . . . . . . . . . . 27963 1 344 DNC . 1 1 170 170 GLU N N 15 . . 1 1 169 169 GLU C C 13 . -0.018 . . 0.49 . . . . . . . . . . . 27963 1 345 DNC . 1 1 173 173 LYS N N 15 . . 1 1 172 172 ILE C C 13 . 0.054 . . 0.49 . . . . . . . . . . . 27963 1 346 DCAHA . 1 1 5 5 GLN CA C 13 . . 1 1 5 5 GLN HA H 1 . 23.223 . . 1.1 . . . . . . . . . . . 27963 1 347 DCAHA . 1 1 39 39 GLU CA C 13 . . 1 1 39 39 GLU HA H 1 . -21.57 . . 1.1 . . . . . . . . . . . 27963 1 348 DCAHA . 1 1 84 84 TYR CA C 13 . . 1 1 84 84 TYR HA H 1 . 8.486 . . 1.1 . . . . . . . . . . . 27963 1 349 DCAHA . 1 1 85 85 ASP CA C 13 . . 1 1 85 85 ASP HA H 1 . 15.748 . . 1.1 . . . . . . . . . . . 27963 1 350 DCAHA . 1 1 86 86 GLN CA C 13 . . 1 1 86 86 GLN HA H 1 . 14.196 . . 1.1 . . . . . . . . . . . 27963 1 351 DCAHA . 1 1 87 87 LEU CA C 13 . . 1 1 87 87 LEU HA H 1 . 19.313 . . 1.1 . . . . . . . . . . . 27963 1 352 DCAHA . 1 1 88 88 ASP CA C 13 . . 1 1 88 88 ASP HA H 1 . 21.036 . . 1.1 . . . . . . . . . . . 27963 1 353 DCAHA . 1 1 90 90 GLU CA C 13 . . 1 1 90 90 GLU HA H 1 . 18.549 . . 1.1 . . . . . . . . . . . 27963 1 354 DCAHA . 1 1 94 94 THR CA C 13 . . 1 1 94 94 THR HA H 1 . 21.667 . . 1.1 . . . . . . . . . . . 27963 1 355 DCAHA . 1 1 95 95 VAL CA C 13 . . 1 1 95 95 VAL HA H 1 . 24.439 . . 1.1 . . . . . . . . . . . 27963 1 356 DCAHA . 1 1 101 101 LYS CA C 13 . . 1 1 101 101 LYS HA H 1 . 13.186 . . 1.1 . . . . . . . . . . . 27963 1 357 DCAHA . 1 1 102 102 ALA CA C 13 . . 1 1 102 102 ALA HA H 1 . 10.44 . . 1.1 . . . . . . . . . . . 27963 1 358 DCAHA . 1 1 104 104 LYS CA C 13 . . 1 1 104 104 LYS HA H 1 . 14.301 . . 1.1 . . . . . . . . . . . 27963 1 359 DCAHA . 1 1 105 105 ALA CA C 13 . . 1 1 105 105 ALA HA H 1 . 6.692 . . 1.1 . . . . . . . . . . . 27963 1 360 DCAHA . 1 1 106 106 VAL CA C 13 . . 1 1 106 106 VAL HA H 1 . 3.796 . . 1.1 . . . . . . . . . . . 27963 1 361 DCAHA . 1 1 107 107 GLU CA C 13 . . 1 1 107 107 GLU HA H 1 . 4.399 . . 1.1 . . . . . . . . . . . 27963 1 362 DCAHA . 1 1 109 109 ASP CA C 13 . . 1 1 109 109 ASP HA H 1 . 9.712 . . 1.1 . . . . . . . . . . . 27963 1 363 DCAHA . 1 1 110 110 LEU CA C 13 . . 1 1 110 110 LEU HA H 1 . 9.097 . . 1.1 . . . . . . . . . . . 27963 1 364 DCAHA . 1 1 112 112 LEU CA C 13 . . 1 1 112 112 LEU HA H 1 . 5.553 . . 1.1 . . . . . . . . . . . 27963 1 365 DCAHA . 1 1 113 113 ASP CA C 13 . . 1 1 113 113 ASP HA H 1 . 8.422 . . 1.1 . . . . . . . . . . . 27963 1 366 DCAHA . 1 1 114 114 GLU CA C 13 . . 1 1 114 114 GLU HA H 1 . 4.842 . . 1.1 . . . . . . . . . . . 27963 1 367 DCAHA . 1 1 115 115 PHE CA C 13 . . 1 1 115 115 PHE HA H 1 . 3.559 . . 1.1 . . . . . . . . . . . 27963 1 368 DCAHA . 1 1 116 116 GLU CA C 13 . . 1 1 116 116 GLU HA H 1 . 8.364 . . 1.1 . . . . . . . . . . . 27963 1 369 DCAHA . 1 1 117 117 GLU CA C 13 . . 1 1 117 117 GLU HA H 1 . 10.766 . . 1.1 . . . . . . . . . . . 27963 1 370 DCAHA . 1 1 118 118 ILE CA C 13 . . 1 1 118 118 ILE HA H 1 . 10.861 . . 1.1 . . . . . . . . . . . 27963 1 371 DCAHA . 1 1 119 119 ASP CA C 13 . . 1 1 119 119 ASP HA H 1 . 8.706 . . 1.1 . . . . . . . . . . . 27963 1 372 DCAHA . 1 1 120 120 GLU CA C 13 . . 1 1 120 120 GLU HA H 1 . 10.458 . . 1.1 . . . . . . . . . . . 27963 1 373 DCAHA . 1 1 121 121 ASP CA C 13 . . 1 1 121 121 ASP HA H 1 . 8.477 . . 1.1 . . . . . . . . . . . 27963 1 374 DCAHA . 1 1 122 122 ASP CA C 13 . . 1 1 122 122 ASP HA H 1 . 14.211 . . 1.1 . . . . . . . . . . . 27963 1 375 DCAHA . 1 1 124 124 ASP CA C 13 . . 1 1 124 124 ASP HA H 1 . 15.52 . . 1.1 . . . . . . . . . . . 27963 1 376 DCAHA . 1 1 125 125 LEU CA C 13 . . 1 1 125 125 LEU HA H 1 . 15.817 . . 1.1 . . . . . . . . . . . 27963 1 377 DCAHA . 1 1 126 126 ASP CA C 13 . . 1 1 126 126 ASP HA H 1 . 17.07 . . 1.1 . . . . . . . . . . . 27963 1 378 DCAHA . 1 1 127 127 GLU CA C 13 . . 1 1 127 127 GLU HA H 1 . 23.36 . . 1.1 . . . . . . . . . . . 27963 1 379 DCAHA . 1 1 128 128 VAL CA C 13 . . 1 1 128 128 VAL HA H 1 . 22.86 . . 1.1 . . . . . . . . . . . 27963 1 380 DCAHA . 1 1 130 130 GLU CA C 13 . . 1 1 130 130 GLU HA H 1 . 25.715 . . 1.1 . . . . . . . . . . . 27963 1 381 DCAHA . 1 1 132 132 LEU CA C 13 . . 1 1 132 132 LEU HA H 1 . 23.455 . . 1.1 . . . . . . . . . . . 27963 1 382 DCAHA . 1 1 133 133 ASP CA C 13 . . 1 1 133 133 ASP HA H 1 . 26.421 . . 1.1 . . . . . . . . . . . 27963 1 383 DCAHA . 1 1 134 134 LEU CA C 13 . . 1 1 134 134 LEU HA H 1 . 24.908 . . 1.1 . . . . . . . . . . . 27963 1 384 DCAHA . 1 1 135 135 GLU CA C 13 . . 1 1 135 135 GLU HA H 1 . 26.593 . . 1.1 . . . . . . . . . . . 27963 1 385 DCAHA . 1 1 136 136 ALA CA C 13 . . 1 1 136 136 ALA HA H 1 . 17.024 . . 1.1 . . . . . . . . . . . 27963 1 386 DCAHA . 1 1 137 137 ASP CA C 13 . . 1 1 137 137 ASP HA H 1 . 27.621 . . 1.1 . . . . . . . . . . . 27963 1 387 DCAHA . 1 1 138 138 ASP CA C 13 . . 1 1 138 138 ASP HA H 1 . 26.284 . . 1.1 . . . . . . . . . . . 27963 1 388 DCAHA . 1 1 139 139 PHE CA C 13 . . 1 1 139 139 PHE HA H 1 . 25.178 . . 1.1 . . . . . . . . . . . 27963 1 389 DCAHA . 1 1 140 140 ASP CA C 13 . . 1 1 140 140 ASP HA H 1 . 21.8 . . 1.1 . . . . . . . . . . . 27963 1 390 DCAHA . 1 1 141 141 GLU CA C 13 . . 1 1 141 141 GLU HA H 1 . 26.298 . . 1.1 . . . . . . . . . . . 27963 1 391 DCAHA . 1 1 142 142 GLU CA C 13 . . 1 1 142 142 GLU HA H 1 . 22.83 . . 1.1 . . . . . . . . . . . 27963 1 392 DCAHA . 1 1 143 143 ASP CA C 13 . . 1 1 143 143 ASP HA H 1 . 23.542 . . 1.1 . . . . . . . . . . . 27963 1 393 DCAHA . 1 1 144 144 LEU CA C 13 . . 1 1 144 144 LEU HA H 1 . 24.986 . . 1.1 . . . . . . . . . . . 27963 1 394 DCAHA . 1 1 147 147 ASP CA C 13 . . 1 1 147 147 ASP HA H 1 . 22.993 . . 1.1 . . . . . . . . . . . 27963 1 395 DCAHA . 1 1 148 148 ASP CA C 13 . . 1 1 148 148 ASP HA H 1 . 23.521 . . 1.1 . . . . . . . . . . . 27963 1 396 DCAHA . 1 1 151 151 LEU CA C 13 . . 1 1 151 151 LEU HA H 1 . 25.174 . . 1.1 . . . . . . . . . . . 27963 1 397 DCAHA . 1 1 153 153 ILE CA C 13 . . 1 1 153 153 ILE HA H 1 . 26.366 . . 1.1 . . . . . . . . . . . 27963 1 398 DCAHA . 1 1 154 154 GLU CA C 13 . . 1 1 154 154 GLU HA H 1 . 28.647 . . 1.1 . . . . . . . . . . . 27963 1 399 DCAHA . 1 1 155 155 GLU CA C 13 . . 1 1 155 155 GLU HA H 1 . 23.21 . . 1.1 . . . . . . . . . . . 27963 1 400 DCAHA . 1 1 156 156 ASP CA C 13 . . 1 1 156 156 ASP HA H 1 . 26.404 . . 1.1 . . . . . . . . . . . 27963 1 401 DCAHA . 1 1 158 158 ILE CA C 13 . . 1 1 158 158 ILE HA H 1 . 26.407 . . 1.1 . . . . . . . . . . . 27963 1 402 DCAHA . 1 1 159 159 ASP CA C 13 . . 1 1 159 159 ASP HA H 1 . 22.187 . . 1.1 . . . . . . . . . . . 27963 1 403 DCAHA . 1 1 160 160 GLU CA C 13 . . 1 1 160 160 GLU HA H 1 . 23.265 . . 1.1 . . . . . . . . . . . 27963 1 404 DCAHA . 1 1 161 161 ASP CA C 13 . . 1 1 161 161 ASP HA H 1 . 21.188 . . 1.1 . . . . . . . . . . . 27963 1 405 DCAHA . 1 1 162 162 ASP CA C 13 . . 1 1 162 162 ASP HA H 1 . 18.486 . . 1.1 . . . . . . . . . . . 27963 1 406 DCAHA . 1 1 163 163 GLU CA C 13 . . 1 1 163 163 GLU HA H 1 . 17.605 . . 1.1 . . . . . . . . . . . 27963 1 407 DCAHA . 1 1 164 164 ASP CA C 13 . . 1 1 164 164 ASP HA H 1 . 13.88 . . 1.1 . . . . . . . . . . . 27963 1 408 DCAHA . 1 1 165 165 TYR CA C 13 . . 1 1 165 165 TYR HA H 1 . 13.083 . . 1.1 . . . . . . . . . . . 27963 1 409 DCAHA . 1 1 166 166 ASP CA C 13 . . 1 1 166 166 ASP HA H 1 . 14.569 . . 1.1 . . . . . . . . . . . 27963 1 410 DCAHA . 1 1 167 167 ASP CA C 13 . . 1 1 167 167 ASP HA H 1 . 11.553 . . 1.1 . . . . . . . . . . . 27963 1 411 DCAHA . 1 1 168 168 GLU CA C 13 . . 1 1 168 168 GLU HA H 1 . 12.759 . . 1.1 . . . . . . . . . . . 27963 1 412 DCAHA . 1 1 169 169 GLU CA C 13 . . 1 1 169 169 GLU HA H 1 . 9.553 . . 1.1 . . . . . . . . . . . 27963 1 413 DCAHA . 1 1 172 172 ILE CA C 13 . . 1 1 172 172 ILE HA H 1 . 7.567 . . 1.1 . . . . . . . . . . . 27963 1 414 DCAC . 1 1 5 5 GLN CA C 13 . . 1 1 5 5 GLN C C 13 . 3.82 . . 0.47 . . . . . . . . . . . 27963 1 415 DCAC . 1 1 39 39 GLU CA C 13 . . 1 1 39 39 GLU C C 13 . -24.16 . . 0.47 . . . . . . . . . . . 27963 1 416 DCAC . 1 1 84 84 TYR CA C 13 . . 1 1 84 84 TYR C C 13 . 3.97 . . 0.47 . . . . . . . . . . . 27963 1 417 DCAC . 1 1 85 85 ASP CA C 13 . . 1 1 85 85 ASP C C 13 . -0.83 . . 0.47 . . . . . . . . . . . 27963 1 418 DCAC . 1 1 86 86 GLN CA C 13 . . 1 1 86 86 GLN C C 13 . -0.78 . . 0.47 . . . . . . . . . . . 27963 1 419 DCAC . 1 1 87 87 LEU CA C 13 . . 1 1 87 87 LEU C C 13 . -0.39 . . 0.47 . . . . . . . . . . . 27963 1 420 DCAC . 1 1 88 88 ASP CA C 13 . . 1 1 88 88 ASP C C 13 . 1.08 . . 0.47 . . . . . . . . . . . 27963 1 421 DCAC . 1 1 90 90 GLU CA C 13 . . 1 1 90 90 GLU C C 13 . -0.01 . . 0.47 . . . . . . . . . . . 27963 1 422 DCAC . 1 1 94 94 THR CA C 13 . . 1 1 94 94 THR C C 13 . -2.62 . . 0.47 . . . . . . . . . . . 27963 1 423 DCAC . 1 1 95 95 VAL CA C 13 . . 1 1 95 95 VAL C C 13 . -0.78 . . 0.47 . . . . . . . . . . . 27963 1 424 DCAC . 1 1 101 101 LYS CA C 13 . . 1 1 101 101 LYS C C 13 . 0.43 . . 0.47 . . . . . . . . . . . 27963 1 425 DCAC . 1 1 102 102 ALA CA C 13 . . 1 1 102 102 ALA C C 13 . -2.87 . . 0.47 . . . . . . . . . . . 27963 1 426 DCAC . 1 1 104 104 LYS CA C 13 . . 1 1 104 104 LYS C C 13 . 0.21 . . 0.47 . . . . . . . . . . . 27963 1 427 DCAC . 1 1 105 105 ALA CA C 13 . . 1 1 105 105 ALA C C 13 . -1.88 . . 0.47 . . . . . . . . . . . 27963 1 428 DCAC . 1 1 106 106 VAL CA C 13 . . 1 1 106 106 VAL C C 13 . -0.53 . . 0.47 . . . . . . . . . . . 27963 1 429 DCAC . 1 1 107 107 GLU CA C 13 . . 1 1 107 107 GLU C C 13 . -0.32 . . 0.47 . . . . . . . . . . . 27963 1 430 DCAC . 1 1 109 109 ASP CA C 13 . . 1 1 109 109 ASP C C 13 . -0.51 . . 0.47 . . . . . . . . . . . 27963 1 431 DCAC . 1 1 110 110 LEU CA C 13 . . 1 1 110 110 LEU C C 13 . -1.21 . . 0.47 . . . . . . . . . . . 27963 1 432 DCAC . 1 1 112 112 LEU CA C 13 . . 1 1 112 112 LEU C C 13 . -1.08 . . 0.47 . . . . . . . . . . . 27963 1 433 DCAC . 1 1 113 113 ASP CA C 13 . . 1 1 113 113 ASP C C 13 . -0.96 . . 0.47 . . . . . . . . . . . 27963 1 434 DCAC . 1 1 114 114 GLU CA C 13 . . 1 1 114 114 GLU C C 13 . -1.38 . . 0.47 . . . . . . . . . . . 27963 1 435 DCAC . 1 1 115 115 PHE CA C 13 . . 1 1 115 115 PHE C C 13 . 0.21 . . 0.47 . . . . . . . . . . . 27963 1 436 DCAC . 1 1 116 116 GLU CA C 13 . . 1 1 116 116 GLU C C 13 . 0.08 . . 0.47 . . . . . . . . . . . 27963 1 437 DCAC . 1 1 117 117 GLU CA C 13 . . 1 1 117 117 GLU C C 13 . -0.08 . . 0.47 . . . . . . . . . . . 27963 1 438 DCAC . 1 1 118 118 ILE CA C 13 . . 1 1 118 118 ILE C C 13 . -0.79 . . 0.47 . . . . . . . . . . . 27963 1 439 DCAC . 1 1 119 119 ASP CA C 13 . . 1 1 119 119 ASP C C 13 . -0.91 . . 0.47 . . . . . . . . . . . 27963 1 440 DCAC . 1 1 120 120 GLU CA C 13 . . 1 1 120 120 GLU C C 13 . -0.29 . . 0.47 . . . . . . . . . . . 27963 1 441 DCAC . 1 1 121 121 ASP CA C 13 . . 1 1 121 121 ASP C C 13 . -1.15 . . 0.47 . . . . . . . . . . . 27963 1 442 DCAC . 1 1 122 122 ASP CA C 13 . . 1 1 122 122 ASP C C 13 . -1.11 . . 0.47 . . . . . . . . . . . 27963 1 443 DCAC . 1 1 124 124 ASP CA C 13 . . 1 1 124 124 ASP C C 13 . -0.68 . . 0.47 . . . . . . . . . . . 27963 1 444 DCAC . 1 1 125 125 LEU CA C 13 . . 1 1 125 125 LEU C C 13 . -0.88 . . 0.47 . . . . . . . . . . . 27963 1 445 DCAC . 1 1 126 126 ASP CA C 13 . . 1 1 126 126 ASP C C 13 . -1.98 . . 0.47 . . . . . . . . . . . 27963 1 446 DCAC . 1 1 127 127 GLU CA C 13 . . 1 1 127 127 GLU C C 13 . -0.42 . . 0.47 . . . . . . . . . . . 27963 1 447 DCAC . 1 1 128 128 VAL CA C 13 . . 1 1 128 128 VAL C C 13 . -1.56 . . 0.47 . . . . . . . . . . . 27963 1 448 DCAC . 1 1 130 130 GLU CA C 13 . . 1 1 130 130 GLU C C 13 . -0.73 . . 0.47 . . . . . . . . . . . 27963 1 449 DCAC . 1 1 132 132 LEU CA C 13 . . 1 1 132 132 LEU C C 13 . -0.49 . . 0.47 . . . . . . . . . . . 27963 1 450 DCAC . 1 1 133 133 ASP CA C 13 . . 1 1 133 133 ASP C C 13 . -0.34 . . 0.47 . . . . . . . . . . . 27963 1 451 DCAC . 1 1 134 134 LEU CA C 13 . . 1 1 134 134 LEU C C 13 . -0.73 . . 0.47 . . . . . . . . . . . 27963 1 452 DCAC . 1 1 135 135 GLU CA C 13 . . 1 1 135 135 GLU C C 13 . -1.09 . . 0.47 . . . . . . . . . . . 27963 1 453 DCAC . 1 1 136 136 ALA CA C 13 . . 1 1 136 136 ALA C C 13 . -0.84 . . 0.47 . . . . . . . . . . . 27963 1 454 DCAC . 1 1 137 137 ASP CA C 13 . . 1 1 137 137 ASP C C 13 . -2 . . 0.47 . . . . . . . . . . . 27963 1 455 DCAC . 1 1 138 138 ASP CA C 13 . . 1 1 138 138 ASP C C 13 . -1.57 . . 0.47 . . . . . . . . . . . 27963 1 456 DCAC . 1 1 139 139 PHE CA C 13 . . 1 1 139 139 PHE C C 13 . -0.95 . . 0.47 . . . . . . . . . . . 27963 1 457 DCAC . 1 1 140 140 ASP CA C 13 . . 1 1 140 140 ASP C C 13 . -0.95 . . 0.47 . . . . . . . . . . . 27963 1 458 DCAC . 1 1 141 141 GLU CA C 13 . . 1 1 141 141 GLU C C 13 . -0.46 . . 0.47 . . . . . . . . . . . 27963 1 459 DCAC . 1 1 142 142 GLU CA C 13 . . 1 1 142 142 GLU C C 13 . -0.32 . . 0.47 . . . . . . . . . . . 27963 1 460 DCAC . 1 1 143 143 ASP CA C 13 . . 1 1 143 143 ASP C C 13 . -0.75 . . 0.47 . . . . . . . . . . . 27963 1 461 DCAC . 1 1 144 144 LEU CA C 13 . . 1 1 144 144 LEU C C 13 . -0.17 . . 0.47 . . . . . . . . . . . 27963 1 462 DCAC . 1 1 147 147 ASP CA C 13 . . 1 1 147 147 ASP C C 13 . -1.16 . . 0.47 . . . . . . . . . . . 27963 1 463 DCAC . 1 1 148 148 ASP CA C 13 . . 1 1 148 148 ASP C C 13 . -1.63 . . 0.47 . . . . . . . . . . . 27963 1 464 DCAC . 1 1 151 151 LEU CA C 13 . . 1 1 151 151 LEU C C 13 . -2.76 . . 0.47 . . . . . . . . . . . 27963 1 465 DCAC . 1 1 153 153 ILE CA C 13 . . 1 1 153 153 ILE C C 13 . -2.58 . . 0.47 . . . . . . . . . . . 27963 1 466 DCAC . 1 1 154 154 GLU CA C 13 . . 1 1 154 154 GLU C C 13 . -0.82 . . 0.47 . . . . . . . . . . . 27963 1 467 DCAC . 1 1 155 155 GLU CA C 13 . . 1 1 155 155 GLU C C 13 . -1.26 . . 0.47 . . . . . . . . . . . 27963 1 468 DCAC . 1 1 156 156 ASP CA C 13 . . 1 1 156 156 ASP C C 13 . -1.29 . . 0.47 . . . . . . . . . . . 27963 1 469 DCAC . 1 1 158 158 ILE CA C 13 . . 1 1 158 158 ILE C C 13 . -1.09 . . 0.47 . . . . . . . . . . . 27963 1 470 DCAC . 1 1 159 159 ASP CA C 13 . . 1 1 159 159 ASP C C 13 . -1.13 . . 0.47 . . . . . . . . . . . 27963 1 471 DCAC . 1 1 160 160 GLU CA C 13 . . 1 1 160 160 GLU C C 13 . -1.1 . . 0.47 . . . . . . . . . . . 27963 1 472 DCAC . 1 1 161 161 ASP CA C 13 . . 1 1 161 161 ASP C C 13 . -0.96 . . 0.47 . . . . . . . . . . . 27963 1 473 DCAC . 1 1 162 162 ASP CA C 13 . . 1 1 162 162 ASP C C 13 . -2.72 . . 0.47 . . . . . . . . . . . 27963 1 474 DCAC . 1 1 163 163 GLU CA C 13 . . 1 1 163 163 GLU C C 13 . -1.37 . . 0.47 . . . . . . . . . . . 27963 1 475 DCAC . 1 1 164 164 ASP CA C 13 . . 1 1 164 164 ASP C C 13 . -0.28 . . 0.47 . . . . . . . . . . . 27963 1 476 DCAC . 1 1 165 165 TYR CA C 13 . . 1 1 165 165 TYR C C 13 . -1.62 . . 0.47 . . . . . . . . . . . 27963 1 477 DCAC . 1 1 166 166 ASP CA C 13 . . 1 1 166 166 ASP C C 13 . -0.6 . . 0.47 . . . . . . . . . . . 27963 1 478 DCAC . 1 1 167 167 ASP CA C 13 . . 1 1 167 167 ASP C C 13 . -0.78 . . 0.47 . . . . . . . . . . . 27963 1 479 DCAC . 1 1 168 168 GLU CA C 13 . . 1 1 168 168 GLU C C 13 . 0.23 . . 0.47 . . . . . . . . . . . 27963 1 480 DCAC . 1 1 169 169 GLU CA C 13 . . 1 1 169 169 GLU C C 13 . -0.78 . . 0.47 . . . . . . . . . . . 27963 1 481 DCAC . 1 1 172 172 ILE CA C 13 . . 1 1 172 172 ILE C C 13 . -0.51 . . 0.47 . . . . . . . . . . . 27963 1 stop_ save_