data_18903 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18903 _Entry.Title ; Relaxation study of Delta subunit of RNA polymerase from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-16 _Entry.Accession_date 2012-12-16 _Entry.Last_release_date 2012-12-17 _Entry.Original_release_date 2012-12-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 Pavel Kaderavek . . . . 18903 2 Vladimir Sklenar . . . . 18903 3 Lukas Zidek . . . . 18903 4 Alzbeta Rabatinova . . . . 18903 5 Libor Krasny . . . . 18903 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 18903 heteronucl_T1_relaxation 1 18903 heteronucl_T2_relaxation 2 18903 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 98 18903 'T2 relaxation values' 203 18903 'dipole-CSA cross correlation relaxation values' 264 18903 'heteronuclear NOE values' 96 18903 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 . . 2022-06-27 2012-12-16 update author 'update data sets, etc.' 18903 1 . . 2014-02-14 2012-12-16 original author 'original release' 18903 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18903 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 24515886 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Spectral density mapping protocols for analysis of molecular motions in disordered proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 58 _Citation.Journal_issue 3 _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 193 _Citation.Page_last 207 _Citation.Year 2014 _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 Pavel Kadeavek . . . . 18903 1 2 Vojtch Zapletal . . . . 18903 1 3 Albeta Rabatinova . . . . 18903 1 4 Libor Krasny . . . . 18903 1 5 Vladimir Sklena . . . . 18903 1 6 Luka Zidek . . . . 18903 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 18903 1 'NMR relaxation' 18903 1 'RNA polymerase' 18903 1 'delta subunit' 18903 1 'gram-positive bacteria' 18903 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18903 _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 20400 _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 A . yes native no no . . . 18903 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 BMRB 16912 . . 'solution NMR' . . . 18903 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_delta _Entity.Sf_category entity _Entity.Sf_framecode delta _Entity.Entry_ID 18903 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name delta _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 ; GIKQYSQEELKEMALVEIAH ELFEEHKKPVPFQELLNEIA SLLGVKKEELGDRIAQFYTD LNIDGRFLALSDQTWGLRSW YPYDQLDEETQPTVKAKKKK AKKAVEEDLDLDEFEEIDED DLDLDEVEEELDLEADDFDE EDLDEDDDDLEIEEDIIDED DEDYDDEEEEIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1 2 GLY 2 3 ILE 3 4 LYS ............. 170 171 GLU 171 172 ILE 172 173 LYS ; _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 172 _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 . 18903 1 2 3 ILE . 18903 1 3 4 LYS . 18903 1 4 5 GLN . 18903 1 5 6 TYR . 18903 1 6 7 SER . 18903 1 7 8 GLN . 18903 1 8 9 GLU . 18903 1 9 10 GLU . 18903 1 10 11 LEU . 18903 1 11 12 LYS . 18903 1 12 13 GLU . 18903 1 13 14 MET . 18903 1 14 15 ALA . 18903 1 15 16 LEU . 18903 1 16 17 VAL . 18903 1 17 18 GLU . 18903 1 18 19 ILE . 18903 1 19 20 ALA . 18903 1 20 21 HIS . 18903 1 21 22 GLU . 18903 1 22 23 LEU . 18903 1 23 24 PHE . 18903 1 24 25 GLU . 18903 1 25 26 GLU . 18903 1 26 27 HIS . 18903 1 27 28 LYS . 18903 1 28 29 LYS . 18903 1 29 30 PRO . 18903 1 30 31 VAL . 18903 1 31 32 PRO . 18903 1 32 33 PHE . 18903 1 33 34 GLN . 18903 1 34 35 GLU . 18903 1 35 36 LEU . 18903 1 36 37 LEU . 18903 1 37 38 ASN . 18903 1 38 39 GLU . 18903 1 39 40 ILE . 18903 1 40 41 ALA . 18903 1 41 42 SER . 18903 1 42 43 LEU . 18903 1 43 44 LEU . 18903 1 44 45 GLY . 18903 1 45 46 VAL . 18903 1 46 47 LYS . 18903 1 47 48 LYS . 18903 1 48 49 GLU . 18903 1 49 50 GLU . 18903 1 50 51 LEU . 18903 1 51 52 GLY . 18903 1 52 53 ASP . 18903 1 53 54 ARG . 18903 1 54 55 ILE . 18903 1 55 56 ALA . 18903 1 56 57 GLN . 18903 1 57 58 PHE . 18903 1 58 59 TYR . 18903 1 59 60 THR . 18903 1 60 61 ASP . 18903 1 61 62 LEU . 18903 1 62 63 ASN . 18903 1 63 64 ILE . 18903 1 64 65 ASP . 18903 1 65 66 GLY . 18903 1 66 67 ARG . 18903 1 67 68 PHE . 18903 1 68 69 LEU . 18903 1 69 70 ALA . 18903 1 70 71 LEU . 18903 1 71 72 SER . 18903 1 72 73 ASP . 18903 1 73 74 GLN . 18903 1 74 75 THR . 18903 1 75 76 TRP . 18903 1 76 77 GLY . 18903 1 77 78 LEU . 18903 1 78 79 ARG . 18903 1 79 80 SER . 18903 1 80 81 TRP . 18903 1 81 82 TYR . 18903 1 82 83 PRO . 18903 1 83 84 TYR . 18903 1 84 85 ASP . 18903 1 85 86 GLN . 18903 1 86 87 LEU . 18903 1 87 88 ASP . 18903 1 88 89 GLU . 18903 1 89 90 GLU . 18903 1 90 91 THR . 18903 1 91 92 GLN . 18903 1 92 93 PRO . 18903 1 93 94 THR . 18903 1 94 95 VAL . 18903 1 95 96 LYS . 18903 1 96 97 ALA . 18903 1 97 98 LYS . 18903 1 98 99 LYS . 18903 1 99 100 LYS . 18903 1 100 101 LYS . 18903 1 101 102 ALA . 18903 1 102 103 LYS . 18903 1 103 104 LYS . 18903 1 104 105 ALA . 18903 1 105 106 VAL . 18903 1 106 107 GLU . 18903 1 107 108 GLU . 18903 1 108 109 ASP . 18903 1 109 110 LEU . 18903 1 110 111 ASP . 18903 1 111 112 LEU . 18903 1 112 113 ASP . 18903 1 113 114 GLU . 18903 1 114 115 PHE . 18903 1 115 116 GLU . 18903 1 116 117 GLU . 18903 1 117 118 ILE . 18903 1 118 119 ASP . 18903 1 119 120 GLU . 18903 1 120 121 ASP . 18903 1 121 122 ASP . 18903 1 122 123 LEU . 18903 1 123 124 ASP . 18903 1 124 125 LEU . 18903 1 125 126 ASP . 18903 1 126 127 GLU . 18903 1 127 128 VAL . 18903 1 128 129 GLU . 18903 1 129 130 GLU . 18903 1 130 131 GLU . 18903 1 131 132 LEU . 18903 1 132 133 ASP . 18903 1 133 134 LEU . 18903 1 134 135 GLU . 18903 1 135 136 ALA . 18903 1 136 137 ASP . 18903 1 137 138 ASP . 18903 1 138 139 PHE . 18903 1 139 140 ASP . 18903 1 140 141 GLU . 18903 1 141 142 GLU . 18903 1 142 143 ASP . 18903 1 143 144 LEU . 18903 1 144 145 ASP . 18903 1 145 146 GLU . 18903 1 146 147 ASP . 18903 1 147 148 ASP . 18903 1 148 149 ASP . 18903 1 149 150 ASP . 18903 1 150 151 LEU . 18903 1 151 152 GLU . 18903 1 152 153 ILE . 18903 1 153 154 GLU . 18903 1 154 155 GLU . 18903 1 155 156 ASP . 18903 1 156 157 ILE . 18903 1 157 158 ILE . 18903 1 158 159 ASP . 18903 1 159 160 GLU . 18903 1 160 161 ASP . 18903 1 161 162 ASP . 18903 1 162 163 GLU . 18903 1 163 164 ASP . 18903 1 164 165 TYR . 18903 1 165 166 ASP . 18903 1 166 167 ASP . 18903 1 167 168 GLU . 18903 1 168 169 GLU . 18903 1 169 170 GLU . 18903 1 170 171 GLU . 18903 1 171 172 ILE . 18903 1 172 173 LYS . 18903 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 18903 1 . ILE 2 2 18903 1 . LYS 3 3 18903 1 . GLN 4 4 18903 1 . TYR 5 5 18903 1 . SER 6 6 18903 1 . GLN 7 7 18903 1 . GLU 8 8 18903 1 . GLU 9 9 18903 1 . LEU 10 10 18903 1 . LYS 11 11 18903 1 . GLU 12 12 18903 1 . MET 13 13 18903 1 . ALA 14 14 18903 1 . LEU 15 15 18903 1 . VAL 16 16 18903 1 . GLU 17 17 18903 1 . ILE 18 18 18903 1 . ALA 19 19 18903 1 . HIS 20 20 18903 1 . GLU 21 21 18903 1 . LEU 22 22 18903 1 . PHE 23 23 18903 1 . GLU 24 24 18903 1 . GLU 25 25 18903 1 . HIS 26 26 18903 1 . LYS 27 27 18903 1 . LYS 28 28 18903 1 . PRO 29 29 18903 1 . VAL 30 30 18903 1 . PRO 31 31 18903 1 . PHE 32 32 18903 1 . GLN 33 33 18903 1 . GLU 34 34 18903 1 . LEU 35 35 18903 1 . LEU 36 36 18903 1 . ASN 37 37 18903 1 . GLU 38 38 18903 1 . ILE 39 39 18903 1 . ALA 40 40 18903 1 . SER 41 41 18903 1 . LEU 42 42 18903 1 . LEU 43 43 18903 1 . GLY 44 44 18903 1 . VAL 45 45 18903 1 . LYS 46 46 18903 1 . LYS 47 47 18903 1 . GLU 48 48 18903 1 . GLU 49 49 18903 1 . LEU 50 50 18903 1 . GLY 51 51 18903 1 . ASP 52 52 18903 1 . ARG 53 53 18903 1 . ILE 54 54 18903 1 . ALA 55 55 18903 1 . GLN 56 56 18903 1 . PHE 57 57 18903 1 . TYR 58 58 18903 1 . THR 59 59 18903 1 . ASP 60 60 18903 1 . LEU 61 61 18903 1 . ASN 62 62 18903 1 . ILE 63 63 18903 1 . ASP 64 64 18903 1 . GLY 65 65 18903 1 . ARG 66 66 18903 1 . PHE 67 67 18903 1 . LEU 68 68 18903 1 . ALA 69 69 18903 1 . LEU 70 70 18903 1 . SER 71 71 18903 1 . ASP 72 72 18903 1 . GLN 73 73 18903 1 . THR 74 74 18903 1 . TRP 75 75 18903 1 . GLY 76 76 18903 1 . LEU 77 77 18903 1 . ARG 78 78 18903 1 . SER 79 79 18903 1 . TRP 80 80 18903 1 . TYR 81 81 18903 1 . PRO 82 82 18903 1 . TYR 83 83 18903 1 . ASP 84 84 18903 1 . GLN 85 85 18903 1 . LEU 86 86 18903 1 . ASP 87 87 18903 1 . GLU 88 88 18903 1 . GLU 89 89 18903 1 . THR 90 90 18903 1 . GLN 91 91 18903 1 . PRO 92 92 18903 1 . THR 93 93 18903 1 . VAL 94 94 18903 1 . LYS 95 95 18903 1 . ALA 96 96 18903 1 . LYS 97 97 18903 1 . LYS 98 98 18903 1 . LYS 99 99 18903 1 . LYS 100 100 18903 1 . ALA 101 101 18903 1 . LYS 102 102 18903 1 . LYS 103 103 18903 1 . ALA 104 104 18903 1 . VAL 105 105 18903 1 . GLU 106 106 18903 1 . GLU 107 107 18903 1 . ASP 108 108 18903 1 . LEU 109 109 18903 1 . ASP 110 110 18903 1 . LEU 111 111 18903 1 . ASP 112 112 18903 1 . GLU 113 113 18903 1 . PHE 114 114 18903 1 . GLU 115 115 18903 1 . GLU 116 116 18903 1 . ILE 117 117 18903 1 . ASP 118 118 18903 1 . GLU 119 119 18903 1 . ASP 120 120 18903 1 . ASP 121 121 18903 1 . LEU 122 122 18903 1 . ASP 123 123 18903 1 . LEU 124 124 18903 1 . ASP 125 125 18903 1 . GLU 126 126 18903 1 . VAL 127 127 18903 1 . GLU 128 128 18903 1 . GLU 129 129 18903 1 . GLU 130 130 18903 1 . LEU 131 131 18903 1 . ASP 132 132 18903 1 . LEU 133 133 18903 1 . GLU 134 134 18903 1 . ALA 135 135 18903 1 . ASP 136 136 18903 1 . ASP 137 137 18903 1 . PHE 138 138 18903 1 . ASP 139 139 18903 1 . GLU 140 140 18903 1 . GLU 141 141 18903 1 . ASP 142 142 18903 1 . LEU 143 143 18903 1 . ASP 144 144 18903 1 . GLU 145 145 18903 1 . ASP 146 146 18903 1 . ASP 147 147 18903 1 . ASP 148 148 18903 1 . ASP 149 149 18903 1 . LEU 150 150 18903 1 . GLU 151 151 18903 1 . ILE 152 152 18903 1 . GLU 153 153 18903 1 . GLU 154 154 18903 1 . ASP 155 155 18903 1 . ILE 156 156 18903 1 . ILE 157 157 18903 1 . ASP 158 158 18903 1 . GLU 159 159 18903 1 . ASP 160 160 18903 1 . ASP 161 161 18903 1 . GLU 162 162 18903 1 . ASP 163 163 18903 1 . TYR 164 164 18903 1 . ASP 165 165 18903 1 . ASP 166 166 18903 1 . GLU 167 167 18903 1 . GLU 168 168 18903 1 . GLU 169 169 18903 1 . GLU 170 170 18903 1 . ILE 171 171 18903 1 . LYS 172 172 18903 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 18903 _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 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . 18903 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 18903 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . pET22b . . . 18903 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18903 _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 '[U-100% 15N]' . . 1 $delta . . 8.8 . . mg/mL . . . . 18903 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 18903 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 18903 1 4 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 18903 1 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 18903 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18903 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 18903 _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 'ionic strength' 30 . mM 18903 1 pH 6.6 . pH 18903 1 pressure 1 . atm 18903 1 temperature 300.15 . K 18903 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18903 _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' . . 18903 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 18903 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18903 _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 . . 18903 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 18903 2 stop_ save_ save_Relax _Software.Sf_category software _Software.Sf_framecode Relax _Software.Entry_ID 18903 _Software.ID 3 _Software.Type . _Software.Name Relax _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "d'Auvergne, E. J. and Gooley, P. R." . . 18903 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 18903 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18903 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _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' . . 18903 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 18903 4 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 18903 _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 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18903 _NMR_spectrometer.ID 2 _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 18903 _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 . 500 . . . 18903 1 2 spectrometer_2 Bruker Avance . 600 . . . 18903 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 18903 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D R1 15N,1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18903 1 2 '2D R2 15N,1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18903 1 3 '2D NOE 15N,1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18903 1 4 '2D 15N (coupled),1H correlation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18903 1 5 '2D 15N,1H correlation - transverse cross-correlated cross-relaxation (symmetrical reconversion)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18903 1 6 '2D 15N,1H correlation - longitudinal cross-correlated cross-relaxation (symmetrical reconversion)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 18903 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18903 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D NOE 15N,1H correlation' . . . 18903 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 ILE N N 15 . 1 1 2 2 ILE H H 1 0.58496 0.13548 . . . 3 ILE N . 3 ILE H 18903 1 2 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 0.46518 0.02831 . . . 4 LYS N . 4 LYS H 18903 1 3 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 0.40891 0.04210 . . . 5 GLN N . 5 GLN H 18903 1 4 . 1 1 5 5 TYR N N 15 . 1 1 5 5 TYR H H 1 0.49391 0.07481 . . . 6 TYR N . 6 TYR H 18903 1 5 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.38252 0.10665 . . . 7 SER N . 7 SER H 18903 1 6 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.53399 0.04963 . . . 8 GLN N . 8 GLN H 18903 1 7 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.66266 0.03260 . . . 9 GLU N . 9 GLU H 18903 1 8 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.49438 0.02950 . . . 10 GLU N . 10 GLU H 18903 1 9 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.50962 0.02753 . . . 11 LEU N . 11 LEU H 18903 1 10 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.63202 0.09209 . . . 12 LYS N . 12 LYS H 18903 1 11 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.50656 0.04985 . . . 13 GLU N . 13 GLU H 18903 1 12 . 1 1 13 13 MET N N 15 . 1 1 13 13 MET H H 1 0.64800 0.02310 . . . 14 MET N . 14 MET H 18903 1 13 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.66068 0.03416 . . . 15 ALA N . 15 ALA H 18903 1 14 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 0.73588 0.05505 . . . 17 VAL N . 17 VAL H 18903 1 15 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.84955 0.01231 . . . 18 GLU N . 18 GLU H 18903 1 16 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.65487 0.04992 . . . 19 ILE N . 19 ILE H 18903 1 17 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 0.71162 0.04794 . . . 20 ALA N . 20 ALA H 18903 1 18 . 1 1 20 20 HIS N N 15 . 1 1 20 20 HIS H H 1 0.68301 0.07587 . . . 21 HIS N . 21 HIS H 18903 1 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.68990 0.08186 . . . 22 GLU N . 22 GLU H 18903 1 20 . 1 1 22 22 LEU N N 15 . 1 1 22 22 LEU H H 1 0.69031 0.13941 . . . 23 LEU N . 23 LEU H 18903 1 21 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.65777 0.02635 . . . 24 PHE N . 24 PHE H 18903 1 22 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.69305 0.04097 . . . 25 GLU N . 25 GLU H 18903 1 23 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.65666 0.07686 . . . 26 GLU N . 26 GLU H 18903 1 24 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS H H 1 0.59845 0.06117 . . . 27 HIS N . 27 HIS H 18903 1 25 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.61932 0.11436 . . . 28 LYS N . 28 LYS H 18903 1 26 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.60206 0.02210 . . . 29 LYS N . 29 LYS H 18903 1 27 . 1 1 30 30 VAL N N 15 . 1 1 30 30 VAL H H 1 0.65529 0.03359 . . . 31 VAL N . 31 VAL H 18903 1 28 . 1 1 32 32 PHE N N 15 . 1 1 32 32 PHE H H 1 0.69969 0.02529 . . . 33 PHE N . 33 PHE H 18903 1 29 . 1 1 33 33 GLN N N 15 . 1 1 33 33 GLN H H 1 0.84091 0.02410 . . . 34 GLN N . 34 GLN H 18903 1 30 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.66803 0.05937 . . . 35 GLU N . 35 GLU H 18903 1 31 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.72987 0.10210 . . . 36 LEU N . 36 LEU H 18903 1 32 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.65834 0.02727 . . . 37 LEU N . 37 LEU H 18903 1 33 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.73968 0.03366 . . . 38 ASN N . 38 ASN H 18903 1 34 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.63249 0.02898 . . . 41 ALA N . 41 ALA H 18903 1 35 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.74511 0.09088 . . . 42 SER N . 42 SER H 18903 1 36 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.67043 0.02628 . . . 43 LEU N . 43 LEU H 18903 1 37 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.63967 0.02514 . . . 45 GLY N . 45 GLY H 18903 1 38 . 1 1 45 45 VAL N N 15 . 1 1 45 45 VAL H H 1 0.67925 0.06059 . . . 46 VAL N . 46 VAL H 18903 1 39 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.60127 0.04753 . . . 47 LYS N . 47 LYS H 18903 1 40 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.59754 0.07053 . . . 48 LYS N . 48 LYS H 18903 1 41 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.60714 0.05745 . . . 49 GLU N . 49 GLU H 18903 1 42 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.65876 0.02949 . . . 50 GLU N . 50 GLU H 18903 1 43 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.50964 0.01932 . . . 51 LEU N . 51 LEU H 18903 1 44 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.52222 0.00444 . . . 52 GLY N . 52 GLY H 18903 1 45 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.43604 0.04927 . . . 53 ASP N . 53 ASP H 18903 1 46 . 1 1 53 53 ARG N N 15 . 1 1 53 53 ARG H H 1 0.50286 0.01612 . . . 54 ARG N . 54 ARG H 18903 1 47 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.64221 0.08267 . . . 55 ILE N . 55 ILE H 18903 1 48 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN H H 1 0.75015 0.06094 . . . 57 GLN N . 57 GLN H 18903 1 49 . 1 1 57 57 PHE N N 15 . 1 1 57 57 PHE H H 1 0.62902 0.03977 . . . 58 PHE N . 58 PHE H 18903 1 50 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.69350 0.02466 . . . 59 TYR N . 59 TYR H 18903 1 51 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.69539 0.02477 . . . 61 ASP N . 61 ASP H 18903 1 52 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.71926 0.01794 . . . 63 ASN N . 63 ASN H 18903 1 53 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.59752 0.07054 . . . 64 ILE N . 64 ILE H 18903 1 54 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.50802 0.06652 . . . 65 ASP N . 65 ASP H 18903 1 55 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.78754 0.08812 . . . 67 ARG N . 67 ARG H 18903 1 56 . 1 1 67 67 PHE N N 15 . 1 1 67 67 PHE H H 1 0.68065 0.05049 . . . 68 PHE N . 68 PHE H 18903 1 57 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.73030 0.09726 . . . 69 LEU N . 69 LEU H 18903 1 58 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.69645 0.06436 . . . 70 ALA N . 70 ALA H 18903 1 59 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.60429 0.06931 . . . 72 SER N . 72 SER H 18903 1 60 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.68772 0.01924 . . . 74 GLN N . 74 GLN H 18903 1 61 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.70312 0.06435 . . . 75 THR N . 75 THR H 18903 1 62 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.82008 0.10500 . . . 76 TRP N . 76 TRP H 18903 1 63 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 0.69280 0.09221 . . . 77 GLY N . 77 GLY H 18903 1 64 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.79692 0.04303 . . . 80 SER N . 80 SER H 18903 1 65 . 1 1 80 80 TRP N N 15 . 1 1 80 80 TRP H H 1 0.72358 0.02748 . . . 81 TRP N . 81 TRP H 18903 1 66 . 1 1 81 81 TYR N N 15 . 1 1 81 81 TYR H H 1 0.61690 0.03657 . . . 82 TYR N . 82 TYR H 18903 1 67 . 1 1 86 86 LEU N N 15 . 1 1 86 86 LEU H H 1 -0.19227 0.00983 . . . 87 LEU N . 87 LEU H 18903 1 68 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 -0.29372 0.00912 . . . 90 GLU N . 90 GLU H 18903 1 69 . 1 1 90 90 THR N N 15 . 1 1 90 90 THR H H 1 -0.35181 0.01874 . . . 91 THR N . 91 THR H 18903 1 70 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 -0.38726 0.01157 . . . 92 GLN N . 92 GLN H 18903 1 71 . 1 1 93 93 THR N N 15 . 1 1 93 93 THR H H 1 -0.38326 0.00100 . . . 94 THR N . 94 THR H 18903 1 72 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 -0.15061 0.01509 . . . 97 ALA N . 97 ALA H 18903 1 73 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.09967 0.01467 . . . 102 ALA N . 102 ALA H 18903 1 74 . 1 1 105 105 VAL N N 15 . 1 1 105 105 VAL H H 1 -0.14966 0.01876 . . . 106 VAL N . 106 VAL H 18903 1 75 . 1 1 115 115 GLU N N 15 . 1 1 115 115 GLU H H 1 -0.11933 0.00722 . . . 116 GLU N . 116 GLU H 18903 1 76 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 -0.09721 0.01243 . . . 118 ILE N . 118 ILE H 18903 1 77 . 1 1 118 118 ASP N N 15 . 1 1 118 118 ASP H H 1 -0.12755 0.00554 . . . 119 ASP N . 119 ASP H 18903 1 78 . 1 1 120 120 ASP N N 15 . 1 1 120 120 ASP H H 1 -0.10122 0.01725 . . . 121 ASP N . 121 ASP H 18903 1 79 . 1 1 127 127 VAL N N 15 . 1 1 127 127 VAL H H 1 -0.48869 0.01186 . . . 128 VAL N . 128 VAL H 18903 1 80 . 1 1 128 128 GLU N N 15 . 1 1 128 128 GLU H H 1 -0.51343 0.00585 . . . 129 GLU N . 129 GLU H 18903 1 81 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 -0.58675 0.00867 . . . 135 GLU N . 135 GLU H 18903 1 82 . 1 1 135 135 ALA N N 15 . 1 1 135 135 ALA H H 1 -0.64444 0.01621 . . . 136 ALA N . 136 ALA H 18903 1 83 . 1 1 138 138 PHE N N 15 . 1 1 138 138 PHE H H 1 -0.65314 0.01163 . . . 139 PHE N . 139 PHE H 18903 1 84 . 1 1 140 140 GLU N N 15 . 1 1 140 140 GLU H H 1 -0.68773 0.00667 . . . 141 GLU N . 141 GLU H 18903 1 85 . 1 1 151 151 GLU N N 15 . 1 1 151 151 GLU H H 1 -0.67657 0.02008 . . . 152 GLU N . 152 GLU H 18903 1 86 . 1 1 152 152 ILE N N 15 . 1 1 152 152 ILE H H 1 -0.77982 0.02762 . . . 153 ILE N . 153 ILE H 18903 1 87 . 1 1 153 153 GLU N N 15 . 1 1 153 153 GLU H H 1 -0.75157 0.01497 . . . 154 GLU N . 154 GLU H 18903 1 88 . 1 1 155 155 ASP N N 15 . 1 1 155 155 ASP H H 1 -0.66170 0.02061 . . . 156 ASP N . 156 ASP H 18903 1 89 . 1 1 156 156 ILE N N 15 . 1 1 156 156 ILE H H 1 -0.70951 0.01121 . . . 157 ILE N . 157 ILE H 18903 1 90 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 -0.77816 0.02057 . . . 158 ILE N . 158 ILE H 18903 1 91 . 1 1 158 158 ASP N N 15 . 1 1 158 158 ASP H H 1 -0.73019 0.01196 . . . 159 ASP N . 159 ASP H 18903 1 92 . 1 1 163 163 ASP N N 15 . 1 1 163 163 ASP H H 1 -0.65667 0.01520 . . . 164 ASP N . 164 ASP H 18903 1 93 . 1 1 164 164 TYR N N 15 . 1 1 164 164 TYR H H 1 -0.69317 0.00797 . . . 165 TYR N . 165 TYR H 18903 1 94 . 1 1 166 166 ASP N N 15 . 1 1 166 166 ASP H H 1 -0.73269 0.01126 . . . 167 ASP N . 167 ASP H 18903 1 95 . 1 1 169 169 GLU N N 15 . 1 1 169 169 GLU H H 1 -0.98591 0.01059 . . . 170 GLU N . 170 GLU H 18903 1 96 . 1 1 172 172 LYS N N 15 . 1 1 172 172 LYS H H 1 -1.76650 0.01336 . . . 173 LYS N . 173 LYS H 18903 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18903 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500.13 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D R1 15N,1H correlation' . . . 18903 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ILE N N 15 1.42232 0.13711 . . 3 ILE N 18903 1 2 . 1 1 3 3 LYS N N 15 1.65024 0.05754 . . 4 LYS N 18903 1 3 . 1 1 4 4 GLN N N 15 1.71966 0.05968 . . 5 GLN N 18903 1 4 . 1 1 5 5 TYR N N 15 1.72126 0.07022 . . 6 TYR N 18903 1 5 . 1 1 6 6 SER N N 15 1.73282 0.09560 . . 7 SER N 18903 1 6 . 1 1 7 7 GLN N N 15 1.86544 0.06870 . . 8 GLN N 18903 1 7 . 1 1 8 8 GLU N N 15 1.85681 0.03333 . . 9 GLU N 18903 1 8 . 1 1 9 9 GLU N N 15 1.87033 0.04738 . . 10 GLU N 18903 1 9 . 1 1 10 10 LEU N N 15 1.74416 0.03347 . . 11 LEU N 18903 1 10 . 1 1 11 11 LYS N N 15 1.90375 0.06226 . . 12 LYS N 18903 1 11 . 1 1 12 12 GLU N N 15 1.83306 0.04907 . . 13 GLU N 18903 1 12 . 1 1 13 13 MET N N 15 1.76086 0.05539 . . 14 MET N 18903 1 13 . 1 1 14 14 ALA N N 15 1.83881 0.03841 . . 15 ALA N 18903 1 14 . 1 1 16 16 VAL N N 15 1.95702 0.05809 . . 17 VAL N 18903 1 15 . 1 1 17 17 GLU N N 15 1.98941 0.07466 . . 18 GLU N 18903 1 16 . 1 1 18 18 ILE N N 15 2.03502 0.08291 . . 19 ILE N 18903 1 17 . 1 1 19 19 ALA N N 15 1.94697 0.05478 . . 20 ALA N 18903 1 18 . 1 1 20 20 HIS N N 15 1.93177 0.09693 . . 21 HIS N 18903 1 19 . 1 1 21 21 GLU N N 15 1.86611 0.04832 . . 22 GLU N 18903 1 20 . 1 1 22 22 LEU N N 15 1.85986 0.06932 . . 23 LEU N 18903 1 21 . 1 1 23 23 PHE N N 15 2.03411 0.09483 . . 24 PHE N 18903 1 22 . 1 1 24 24 GLU N N 15 1.89186 0.05219 . . 25 GLU N 18903 1 23 . 1 1 25 25 GLU N N 15 1.87276 0.05999 . . 26 GLU N 18903 1 24 . 1 1 26 26 HIS N N 15 2.07444 0.08473 . . 27 HIS N 18903 1 25 . 1 1 27 27 LYS N N 15 2.18775 0.19136 . . 28 LYS N 18903 1 26 . 1 1 28 28 LYS N N 15 1.62879 0.04779 . . 29 LYS N 18903 1 27 . 1 1 30 30 VAL N N 15 1.89841 0.07557 . . 31 VAL N 18903 1 28 . 1 1 32 32 PHE N N 15 1.81910 0.06826 . . 33 PHE N 18903 1 29 . 1 1 33 33 GLN N N 15 1.79901 0.04166 . . 34 GLN N 18903 1 30 . 1 1 34 34 GLU N N 15 1.54381 0.06078 . . 35 GLU N 18903 1 31 . 1 1 35 35 LEU N N 15 1.76379 0.04813 . . 36 LEU N 18903 1 32 . 1 1 36 36 LEU N N 15 1.78591 0.04315 . . 37 LEU N 18903 1 33 . 1 1 37 37 ASN N N 15 1.75827 0.04108 . . 38 ASN N 18903 1 34 . 1 1 40 40 ALA N N 15 1.79294 0.04002 . . 41 ALA N 18903 1 35 . 1 1 41 41 SER N N 15 1.67251 0.03281 . . 42 SER N 18903 1 36 . 1 1 42 42 LEU N N 15 1.67964 0.03483 . . 43 LEU N 18903 1 37 . 1 1 44 44 GLY N N 15 1.64735 0.04678 . . 45 GLY N 18903 1 38 . 1 1 45 45 VAL N N 15 1.59781 0.03915 . . 46 VAL N 18903 1 39 . 1 1 46 46 LYS N N 15 1.66201 0.03572 . . 47 LYS N 18903 1 40 . 1 1 47 47 LYS N N 15 1.91044 0.04487 . . 48 LYS N 18903 1 41 . 1 1 48 48 GLU N N 15 1.97612 0.03568 . . 49 GLU N 18903 1 42 . 1 1 49 49 GLU N N 15 1.90165 0.03710 . . 50 GLU N 18903 1 43 . 1 1 50 50 LEU N N 15 1.98353 0.04843 . . 51 LEU N 18903 1 44 . 1 1 51 51 GLY N N 15 1.86812 0.03245 . . 52 GLY N 18903 1 45 . 1 1 52 52 ASP N N 15 1.70421 0.12446 . . 53 ASP N 18903 1 46 . 1 1 53 53 ARG N N 15 1.89251 0.04154 . . 54 ARG N 18903 1 47 . 1 1 54 54 ILE N N 15 1.73708 0.04897 . . 55 ILE N 18903 1 48 . 1 1 56 56 GLN N N 15 1.65944 0.03966 . . 57 GLN N 18903 1 49 . 1 1 57 57 PHE N N 15 1.70384 0.04315 . . 58 PHE N 18903 1 50 . 1 1 58 58 TYR N N 15 1.70779 0.04904 . . 59 TYR N 18903 1 51 . 1 1 60 60 ASP N N 15 1.62883 0.04654 . . 61 ASP N 18903 1 52 . 1 1 62 62 ASN N N 15 1.38201 0.08932 . . 63 ASN N 18903 1 53 . 1 1 63 63 ILE N N 15 1.66677 0.08981 . . 64 ILE N 18903 1 54 . 1 1 64 64 ASP N N 15 1.77638 0.08031 . . 65 ASP N 18903 1 55 . 1 1 66 66 ARG N N 15 1.70025 0.07153 . . 67 ARG N 18903 1 56 . 1 1 67 67 PHE N N 15 2.09897 0.07472 . . 68 PHE N 18903 1 57 . 1 1 68 68 LEU N N 15 1.74081 0.06108 . . 69 LEU N 18903 1 58 . 1 1 69 69 ALA N N 15 1.88422 0.04987 . . 70 ALA N 18903 1 59 . 1 1 71 71 SER N N 15 1.64409 0.10066 . . 72 SER N 18903 1 60 . 1 1 73 73 GLN N N 15 1.66420 0.07004 . . 74 GLN N 18903 1 61 . 1 1 74 74 THR N N 15 1.39897 0.06379 . . 75 THR N 18903 1 62 . 1 1 75 75 TRP N N 15 1.60560 0.07049 . . 76 TRP N 18903 1 63 . 1 1 76 76 GLY N N 15 1.80854 0.07131 . . 77 GLY N 18903 1 64 . 1 1 79 79 SER N N 15 1.62721 0.06042 . . 80 SER N 18903 1 65 . 1 1 80 80 TRP N N 15 1.84769 0.05861 . . 81 TRP N 18903 1 66 . 1 1 81 81 TYR N N 15 1.83704 0.05448 . . 82 TYR N 18903 1 67 . 1 1 85 85 GLN N N 15 1.61393 0.01445 . . 86 GLN N 18903 1 68 . 1 1 86 86 LEU N N 15 1.54368 0.01418 . . 87 LEU N 18903 1 69 . 1 1 89 89 GLU N N 15 1.54000 0.01356 . . 90 GLU N 18903 1 70 . 1 1 90 90 THR N N 15 1.49562 0.01651 . . 91 THR N 18903 1 71 . 1 1 91 91 GLN N N 15 1.46093 0.01573 . . 92 GLN N 18903 1 72 . 1 1 93 93 THR N N 15 1.43429 0.01819 . . 94 THR N 18903 1 73 . 1 1 96 96 ALA N N 15 1.56861 0.01792 . . 97 ALA N 18903 1 74 . 1 1 101 101 ALA N N 15 1.76696 0.01788 . . 102 ALA N 18903 1 75 . 1 1 105 105 VAL N N 15 1.60134 0.01138 . . 106 VAL N 18903 1 76 . 1 1 115 115 GLU N N 15 1.66642 0.01211 . . 116 GLU N 18903 1 77 . 1 1 117 117 ILE N N 15 1.64712 0.01162 . . 118 ILE N 18903 1 78 . 1 1 118 118 ASP N N 15 1.68257 0.01253 . . 119 ASP N 18903 1 79 . 1 1 120 120 ASP N N 15 1.67674 0.01095 . . 121 ASP N 18903 1 80 . 1 1 126 126 GLU N N 15 1.48246 0.00810 . . 127 GLU N 18903 1 81 . 1 1 127 127 VAL N N 15 1.40035 0.00918 . . 128 VAL N 18903 1 82 . 1 1 128 128 GLU N N 15 1.42493 0.01019 . . 129 GLU N 18903 1 83 . 1 1 134 134 GLU N N 15 1.39282 0.00817 . . 135 GLU N 18903 1 84 . 1 1 135 135 ALA N N 15 1.26475 0.00702 . . 136 ALA N 18903 1 85 . 1 1 138 138 PHE N N 15 1.31266 0.00712 . . 139 PHE N 18903 1 86 . 1 1 140 140 GLU N N 15 1.32976 0.00697 . . 141 GLU N 18903 1 87 . 1 1 151 151 GLU N N 15 1.37341 0.00733 . . 152 GLU N 18903 1 88 . 1 1 152 152 ILE N N 15 1.26518 0.00689 . . 153 ILE N 18903 1 89 . 1 1 153 153 GLU N N 15 1.34800 0.00846 . . 154 GLU N 18903 1 90 . 1 1 155 155 ASP N N 15 1.33940 0.00794 . . 156 ASP N 18903 1 91 . 1 1 156 156 ILE N N 15 1.26317 0.00668 . . 157 ILE N 18903 1 92 . 1 1 157 157 ILE N N 15 1.29682 0.00812 . . 158 ILE N 18903 1 93 . 1 1 158 158 ASP N N 15 1.33045 0.00823 . . 159 ASP N 18903 1 94 . 1 1 163 163 ASP N N 15 1.38346 0.00678 . . 164 ASP N 18903 1 95 . 1 1 164 164 TYR N N 15 1.30830 0.00671 . . 165 TYR N 18903 1 96 . 1 1 166 166 ASP N N 15 1.35195 0.00646 . . 167 ASP N 18903 1 97 . 1 1 169 169 GLU N N 15 1.29091 0.00562 . . 170 GLU N 18903 1 98 . 1 1 172 172 LYS N N 15 0.95482 0.00457 . . 173 LYS N 18903 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18903 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 500.13 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 '2D R2 15N,1H correlation' . . . 18903 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ILE N N 15 9.17519 0.96184 . . . . 3 ILE N 18903 1 2 . 1 1 3 3 LYS N N 15 9.95069 0.41658 . . . . 4 LYS N 18903 1 3 . 1 1 4 4 GLN N N 15 9.73335 0.37480 . . . . 5 GLN N 18903 1 4 . 1 1 5 5 TYR N N 15 7.83669 0.39136 . . . . 6 TYR N 18903 1 5 . 1 1 6 6 SER N N 15 9.56942 0.54019 . . . . 7 SER N 18903 1 6 . 1 1 7 7 GLN N N 15 10.06680 0.39032 . . . . 8 GLN N 18903 1 7 . 1 1 8 8 GLU N N 15 8.63326 0.18286 . . . . 9 GLU N 18903 1 8 . 1 1 9 9 GLU N N 15 9.05387 0.26266 . . . . 10 GLU N 18903 1 9 . 1 1 10 10 LEU N N 15 8.79369 0.20877 . . . . 11 LEU N 18903 1 10 . 1 1 11 11 LYS N N 15 10.67256 0.39321 . . . . 12 LYS N 18903 1 11 . 1 1 12 12 GLU N N 15 8.20738 0.25583 . . . . 13 GLU N 18903 1 12 . 1 1 13 13 MET N N 15 8.08553 0.31021 . . . . 14 MET N 18903 1 13 . 1 1 14 14 ALA N N 15 9.00558 0.21640 . . . . 15 ALA N 18903 1 14 . 1 1 16 16 VAL N N 15 12.76580 0.38211 . . . . 17 VAL N 18903 1 15 . 1 1 17 17 GLU N N 15 11.15990 0.48609 . . . . 18 GLU N 18903 1 16 . 1 1 18 18 ILE N N 15 10.58377 0.46830 . . . . 19 ILE N 18903 1 17 . 1 1 19 19 ALA N N 15 10.49063 0.33331 . . . . 20 ALA N 18903 1 18 . 1 1 20 20 HIS N N 15 10.40602 0.52312 . . . . 21 HIS N 18903 1 19 . 1 1 21 21 GLU N N 15 10.92358 0.31090 . . . . 22 GLU N 18903 1 20 . 1 1 22 22 LEU N N 15 7.57131 0.36822 . . . . 23 LEU N 18903 1 21 . 1 1 23 23 PHE N N 15 10.28195 0.51394 . . . . 24 PHE N 18903 1 22 . 1 1 24 24 GLU N N 15 10.04915 0.30833 . . . . 25 GLU N 18903 1 23 . 1 1 25 25 GLU N N 15 9.86050 0.34428 . . . . 26 GLU N 18903 1 24 . 1 1 26 26 HIS N N 15 9.23361 0.42787 . . . . 27 HIS N 18903 1 25 . 1 1 27 27 LYS N N 15 12.07086 1.03639 . . . . 28 LYS N 18903 1 26 . 1 1 28 28 LYS N N 15 12.05632 0.36093 . . . . 29 LYS N 18903 1 27 . 1 1 30 30 VAL N N 15 11.73735 0.48195 . . . . 31 VAL N 18903 1 28 . 1 1 32 32 PHE N N 15 11.60937 0.46061 . . . . 33 PHE N 18903 1 29 . 1 1 33 33 GLN N N 15 11.38914 0.27175 . . . . 34 GLN N 18903 1 30 . 1 1 34 34 GLU N N 15 11.89213 0.49825 . . . . 35 GLU N 18903 1 31 . 1 1 35 35 LEU N N 15 10.59840 0.32564 . . . . 36 LEU N 18903 1 32 . 1 1 36 36 LEU N N 15 11.05977 0.28764 . . . . 37 LEU N 18903 1 33 . 1 1 37 37 ASN N N 15 11.59852 0.29289 . . . . 38 ASN N 18903 1 34 . 1 1 40 40 ALA N N 15 10.73800 0.25211 . . . . 41 ALA N 18903 1 35 . 1 1 41 41 SER N N 15 11.96464 0.24588 . . . . 42 SER N 18903 1 36 . 1 1 42 42 LEU N N 15 10.07331 0.25338 . . . . 43 LEU N 18903 1 37 . 1 1 44 44 GLY N N 15 11.19674 0.36880 . . . . 45 GLY N 18903 1 38 . 1 1 45 45 VAL N N 15 11.10967 0.32199 . . . . 46 VAL N 18903 1 39 . 1 1 46 46 LYS N N 15 9.65590 0.23216 . . . . 47 LYS N 18903 1 40 . 1 1 47 47 LYS N N 15 9.20444 0.24081 . . . . 48 LYS N 18903 1 41 . 1 1 48 48 GLU N N 15 8.69365 0.17942 . . . . 49 GLU N 18903 1 42 . 1 1 49 49 GLU N N 15 9.24793 0.20673 . . . . 50 GLU N 18903 1 43 . 1 1 50 50 LEU N N 15 8.66482 0.25107 . . . . 51 LEU N 18903 1 44 . 1 1 51 51 GLY N N 15 7.56417 0.16084 . . . . 52 GLY N 18903 1 45 . 1 1 52 52 ASP N N 15 9.21647 0.75015 . . . . 53 ASP N 18903 1 46 . 1 1 53 53 ARG N N 15 9.03270 0.22786 . . . . 54 ARG N 18903 1 47 . 1 1 54 54 ILE N N 15 12.16260 0.34443 . . . . 55 ILE N 18903 1 48 . 1 1 56 56 GLN N N 15 12.82312 0.31233 . . . . 57 GLN N 18903 1 49 . 1 1 57 57 PHE N N 15 11.10450 0.31266 . . . . 58 PHE N 18903 1 50 . 1 1 58 58 TYR N N 15 12.88102 0.40637 . . . . 59 TYR N 18903 1 51 . 1 1 60 60 ASP N N 15 13.32103 0.41549 . . . . 61 ASP N 18903 1 52 . 1 1 62 62 ASN N N 15 21.34132 1.24162 . . . . 63 ASN N 18903 1 53 . 1 1 63 63 ILE N N 15 15.46418 0.87700 . . . . 64 ILE N 18903 1 54 . 1 1 64 64 ASP N N 15 8.70276 0.44591 . . . . 65 ASP N 18903 1 55 . 1 1 66 66 ARG N N 15 11.66502 0.56961 . . . . 67 ARG N 18903 1 56 . 1 1 67 67 PHE N N 15 10.12441 0.42120 . . . . 68 PHE N 18903 1 57 . 1 1 68 68 LEU N N 15 10.40597 0.42492 . . . . 69 LEU N 18903 1 58 . 1 1 69 69 ALA N N 15 8.62878 0.26868 . . . . 70 ALA N 18903 1 59 . 1 1 71 71 SER N N 15 10.03342 0.66162 . . . . 72 SER N 18903 1 60 . 1 1 73 73 GLN N N 15 11.90621 0.51376 . . . . 74 GLN N 18903 1 61 . 1 1 74 74 THR N N 15 11.83412 0.60729 . . . . 75 THR N 18903 1 62 . 1 1 75 75 TRP N N 15 11.63644 0.54655 . . . . 76 TRP N 18903 1 63 . 1 1 76 76 GLY N N 15 9.64186 0.43028 . . . . 77 GLY N 18903 1 64 . 1 1 79 79 SER N N 15 13.44513 0.52627 . . . . 80 SER N 18903 1 65 . 1 1 80 80 TRP N N 15 11.21762 0.37917 . . . . 81 TRP N 18903 1 66 . 1 1 81 81 TYR N N 15 9.25966 0.31791 . . . . 82 TYR N 18903 1 67 . 1 1 85 85 GLN N N 15 4.03686 0.06206 . . . . 86 GLN N 18903 1 68 . 1 1 86 86 LEU N N 15 3.21126 0.05584 . . . . 87 LEU N 18903 1 69 . 1 1 89 89 GLU N N 15 3.04251 0.05446 . . . . 90 GLU N 18903 1 70 . 1 1 90 90 THR N N 15 3.00583 0.06552 . . . . 91 THR N 18903 1 71 . 1 1 91 91 GLN N N 15 3.28264 0.06633 . . . . 92 GLN N 18903 1 72 . 1 1 93 93 THR N N 15 3.29545 0.08354 . . . . 94 THR N 18903 1 73 . 1 1 96 96 ALA N N 15 3.70947 0.07482 . . . . 97 ALA N 18903 1 74 . 1 1 101 101 ALA N N 15 3.91440 0.06575 . . . . 102 ALA N 18903 1 75 . 1 1 105 105 VAL N N 15 3.16933 0.04324 . . . . 106 VAL N 18903 1 76 . 1 1 115 115 GLU N N 15 3.40205 0.04477 . . . . 116 GLU N 18903 1 77 . 1 1 117 117 ILE N N 15 3.41862 0.04368 . . . . 118 ILE N 18903 1 78 . 1 1 118 118 ASP N N 15 3.34474 0.04838 . . . . 119 ASP N 18903 1 79 . 1 1 120 120 ASP N N 15 3.20936 0.04230 . . . . 121 ASP N 18903 1 80 . 1 1 126 126 GLU N N 15 2.77262 0.03353 . . . . 127 GLU N 18903 1 81 . 1 1 127 127 VAL N N 15 3.02434 0.03933 . . . . 128 VAL N 18903 1 82 . 1 1 128 128 GLU N N 15 3.08547 0.04241 . . . . 129 GLU N 18903 1 83 . 1 1 134 134 GLU N N 15 2.39146 0.03396 . . . . 135 GLU N 18903 1 84 . 1 1 135 135 ALA N N 15 2.44274 0.03226 . . . . 136 ALA N 18903 1 85 . 1 1 138 138 PHE N N 15 2.06251 0.02968 . . . . 139 PHE N 18903 1 86 . 1 1 140 140 GLU N N 15 2.33492 0.02991 . . . . 141 GLU N 18903 1 87 . 1 1 151 151 GLU N N 15 2.31700 0.03101 . . . . 152 GLU N 18903 1 88 . 1 1 152 152 ILE N N 15 2.62036 0.03236 . . . . 153 ILE N 18903 1 89 . 1 1 153 153 GLU N N 15 2.56494 0.03630 . . . . 154 GLU N 18903 1 90 . 1 1 155 155 ASP N N 15 2.36523 0.03451 . . . . 156 ASP N 18903 1 91 . 1 1 156 156 ILE N N 15 2.32163 0.03089 . . . . 157 ILE N 18903 1 92 . 1 1 157 157 ILE N N 15 2.50657 0.03690 . . . . 158 ILE N 18903 1 93 . 1 1 158 158 ASP N N 15 2.40527 0.03527 . . . . 159 ASP N 18903 1 94 . 1 1 163 163 ASP N N 15 1.89096 0.02689 . . . . 164 ASP N 18903 1 95 . 1 1 164 164 TYR N N 15 1.69230 0.02667 . . . . 165 TYR N 18903 1 96 . 1 1 166 166 ASP N N 15 1.67585 0.02544 . . . . 167 ASP N 18903 1 97 . 1 1 169 169 GLU N N 15 1.46897 0.02347 . . . . 170 GLU N 18903 1 98 . 1 1 172 172 LYS N N 15 0.96819 0.02349 . . . . 173 LYS N 18903 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 18903 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.05 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 '2D R2 15N,1H correlation' . . . 18903 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ILE N N 15 9.60084 0.34023 . . . . 3 ILE N 18903 2 2 . 1 1 3 3 LYS N N 15 10.81981 0.11430 . . . . 4 LYS N 18903 2 3 . 1 1 4 4 GLN N N 15 11.15044 0.12722 . . . . 5 GLN N 18903 2 4 . 1 1 5 5 TYR N N 15 9.02151 0.10904 . . . . 6 TYR N 18903 2 5 . 1 1 6 6 SER N N 15 8.92242 0.16452 . . . . 7 SER N 18903 2 6 . 1 1 7 7 GLN N N 15 10.09477 0.11779 . . . . 8 GLN N 18903 2 7 . 1 1 8 8 GLU N N 15 9.22569 0.04969 . . . . 9 GLU N 18903 2 8 . 1 1 9 9 GLU N N 15 9.24801 0.07516 . . . . 10 GLU N 18903 2 9 . 1 1 10 10 LEU N N 15 9.26871 0.06344 . . . . 11 LEU N 18903 2 10 . 1 1 11 11 LYS N N 15 10.84419 0.11781 . . . . 12 LYS N 18903 2 11 . 1 1 12 12 GLU N N 15 9.05184 0.07288 . . . . 13 GLU N 18903 2 12 . 1 1 13 13 MET N N 15 9.76331 0.09914 . . . . 14 MET N 18903 2 13 . 1 1 14 14 ALA N N 15 9.62374 0.05756 . . . . 15 ALA N 18903 2 14 . 1 1 16 16 VAL N N 15 14.81397 0.13471 . . . . 17 VAL N 18903 2 15 . 1 1 17 17 GLU N N 15 12.56252 0.13704 . . . . 18 GLU N 18903 2 16 . 1 1 18 18 ILE N N 15 11.01072 0.14736 . . . . 19 ILE N 18903 2 17 . 1 1 19 19 ALA N N 15 10.50858 0.08934 . . . . 20 ALA N 18903 2 18 . 1 1 20 20 HIS N N 15 10.77655 0.15474 . . . . 21 HIS N 18903 2 19 . 1 1 21 21 GLU N N 15 11.50452 0.10727 . . . . 22 GLU N 18903 2 20 . 1 1 22 22 LEU N N 15 7.05483 0.09465 . . . . 23 LEU N 18903 2 21 . 1 1 23 23 PHE N N 15 10.88178 0.17285 . . . . 24 PHE N 18903 2 22 . 1 1 24 24 GLU N N 15 10.74985 0.10980 . . . . 25 GLU N 18903 2 23 . 1 1 25 25 GLU N N 15 10.88297 0.13691 . . . . 26 GLU N 18903 2 24 . 1 1 26 26 HIS N N 15 9.48543 0.14598 . . . . 27 HIS N 18903 2 25 . 1 1 27 27 LYS N N 15 12.53331 0.35521 . . . . 28 LYS N 18903 2 26 . 1 1 28 28 LYS N N 15 12.72719 0.12753 . . . . 29 LYS N 18903 2 27 . 1 1 30 30 VAL N N 15 12.84281 0.20002 . . . . 31 VAL N 18903 2 28 . 1 1 32 32 PHE N N 15 12.88211 0.15850 . . . . 33 PHE N 18903 2 29 . 1 1 33 33 GLN N N 15 11.70830 0.09235 . . . . 34 GLN N 18903 2 30 . 1 1 34 34 GLU N N 15 13.46243 0.12967 . . . . 35 GLU N 18903 2 31 . 1 1 35 35 LEU N N 15 11.20329 0.09965 . . . . 36 LEU N 18903 2 32 . 1 1 36 36 LEU N N 15 11.64178 0.09006 . . . . 37 LEU N 18903 2 33 . 1 1 37 37 ASN N N 15 12.53800 0.09854 . . . . 38 ASN N 18903 2 34 . 1 1 38 38 GLU N N 15 8.73580 0.05995 . . . . 39 GLU N 18903 2 35 . 1 1 40 40 ALA N N 15 11.22338 0.08042 . . . . 41 ALA N 18903 2 36 . 1 1 41 41 SER N N 15 12.50291 0.07160 . . . . 42 SER N 18903 2 37 . 1 1 42 42 LEU N N 15 11.31404 0.07391 . . . . 43 LEU N 18903 2 38 . 1 1 44 44 GLY N N 15 12.29633 0.13171 . . . . 45 GLY N 18903 2 39 . 1 1 45 45 VAL N N 15 11.45783 0.09872 . . . . 46 VAL N 18903 2 40 . 1 1 46 46 LYS N N 15 10.24650 0.07109 . . . . 47 LYS N 18903 2 41 . 1 1 47 47 LYS N N 15 9.41573 0.06221 . . . . 48 LYS N 18903 2 42 . 1 1 48 48 GLU N N 15 9.64555 0.05716 . . . . 49 GLU N 18903 2 43 . 1 1 49 49 GLU N N 15 9.69465 0.06343 . . . . 50 GLU N 18903 2 44 . 1 1 50 50 LEU N N 15 9.44718 0.07250 . . . . 51 LEU N 18903 2 45 . 1 1 51 51 GLY N N 15 7.96464 0.04516 . . . . 52 GLY N 18903 2 46 . 1 1 52 52 ASP N N 15 9.64415 0.23133 . . . . 53 ASP N 18903 2 47 . 1 1 53 53 ARG N N 15 9.84091 0.07133 . . . . 54 ARG N 18903 2 48 . 1 1 54 54 ILE N N 15 12.40661 0.10770 . . . . 55 ILE N 18903 2 49 . 1 1 56 56 GLN N N 15 13.14457 0.10285 . . . . 57 GLN N 18903 2 50 . 1 1 57 57 PHE N N 15 12.07549 0.10184 . . . . 58 PHE N 18903 2 51 . 1 1 58 58 TYR N N 15 13.02311 0.11848 . . . . 59 TYR N 18903 2 52 . 1 1 60 60 ASP N N 15 13.66217 0.11566 . . . . 61 ASP N 18903 2 53 . 1 1 62 62 ASN N N 15 22.11009 0.41257 . . . . 63 ASN N 18903 2 54 . 1 1 63 63 ILE N N 15 18.62836 0.44845 . . . . 64 ILE N 18903 2 55 . 1 1 64 64 ASP N N 15 8.53305 0.17786 . . . . 65 ASP N 18903 2 56 . 1 1 66 66 ARG N N 15 12.64404 0.21664 . . . . 67 ARG N 18903 2 57 . 1 1 67 67 PHE N N 15 10.63106 0.15861 . . . . 68 PHE N 18903 2 58 . 1 1 68 68 LEU N N 15 11.85242 0.13502 . . . . 69 LEU N 18903 2 59 . 1 1 69 69 ALA N N 15 10.06208 0.10575 . . . . 70 ALA N 18903 2 60 . 1 1 71 71 SER N N 15 9.35277 0.20154 . . . . 72 SER N 18903 2 61 . 1 1 72 72 ASP N N 15 9.79139 0.20298 . . . . 73 ASP N 18903 2 62 . 1 1 73 73 GLN N N 15 14.36950 0.22660 . . . . 74 GLN N 18903 2 63 . 1 1 74 74 THR N N 15 13.58610 0.20802 . . . . 75 THR N 18903 2 64 . 1 1 75 75 TRP N N 15 11.18918 0.17812 . . . . 76 TRP N 18903 2 65 . 1 1 76 76 GLY N N 15 9.77048 0.15137 . . . . 77 GLY N 18903 2 66 . 1 1 79 79 SER N N 15 13.06653 0.17488 . . . . 80 SER N 18903 2 67 . 1 1 80 80 TRP N N 15 11.22059 0.10893 . . . . 81 TRP N 18903 2 68 . 1 1 81 81 TYR N N 15 10.72497 0.11726 . . . . 82 TYR N 18903 2 69 . 1 1 84 84 ASP N N 15 3.88829 0.01996 . . . . 85 ASP N 18903 2 70 . 1 1 85 85 GLN N N 15 4.34910 0.02012 . . . . 86 GLN N 18903 2 71 . 1 1 86 86 LEU N N 15 3.39302 0.01677 . . . . 87 LEU N 18903 2 72 . 1 1 89 89 GLU N N 15 3.21964 0.01507 . . . . 90 GLU N 18903 2 73 . 1 1 90 90 THR N N 15 3.06474 0.02223 . . . . 91 THR N 18903 2 74 . 1 1 91 91 GLN N N 15 3.35605 0.02059 . . . . 92 GLN N 18903 2 75 . 1 1 93 93 THR N N 15 3.51400 0.02606 . . . . 94 THR N 18903 2 76 . 1 1 94 94 VAL N N 15 3.29108 0.01733 . . . . 95 VAL N 18903 2 77 . 1 1 96 96 ALA N N 15 3.92907 0.02185 . . . . 97 ALA N 18903 2 78 . 1 1 100 100 LYS N N 15 4.56270 0.02108 . . . . 101 LYS N 18903 2 79 . 1 1 101 101 ALA N N 15 4.17647 0.02017 . . . . 102 ALA N 18903 2 80 . 1 1 105 105 VAL N N 15 3.38876 0.01387 . . . . 106 VAL N 18903 2 81 . 1 1 114 114 PHE N N 15 3.39530 0.01352 . . . . 115 PHE N 18903 2 82 . 1 1 115 115 GLU N N 15 3.48627 0.01508 . . . . 116 GLU N 18903 2 83 . 1 1 117 117 ILE N N 15 3.34429 0.01460 . . . . 118 ILE N 18903 2 84 . 1 1 118 118 ASP N N 15 3.42066 0.01469 . . . . 119 ASP N 18903 2 85 . 1 1 120 120 ASP N N 15 3.38836 0.01289 . . . . 121 ASP N 18903 2 86 . 1 1 121 121 ASP N N 15 3.16362 0.01222 . . . . 122 ASP N 18903 2 87 . 1 1 126 126 GLU N N 15 2.73879 0.00976 . . . . 127 GLU N 18903 2 88 . 1 1 127 127 VAL N N 15 2.99637 0.01248 . . . . 128 VAL N 18903 2 89 . 1 1 128 128 GLU N N 15 3.03959 0.01155 . . . . 129 GLU N 18903 2 90 . 1 1 134 134 GLU N N 15 2.36588 0.00925 . . . . 135 GLU N 18903 2 91 . 1 1 135 135 ALA N N 15 2.43699 0.00941 . . . . 136 ALA N 18903 2 92 . 1 1 138 138 PHE N N 15 2.16790 0.00983 . . . . 139 PHE N 18903 2 93 . 1 1 140 140 GLU N N 15 2.23222 0.00885 . . . . 141 GLU N 18903 2 94 . 1 1 151 151 GLU N N 15 2.29092 0.01006 . . . . 152 GLU N 18903 2 95 . 1 1 152 152 ILE N N 15 2.68526 0.01025 . . . . 153 ILE N 18903 2 96 . 1 1 153 153 GLU N N 15 2.55836 0.00966 . . . . 154 GLU N 18903 2 97 . 1 1 155 155 ASP N N 15 2.51140 0.00859 . . . . 156 ASP N 18903 2 98 . 1 1 156 156 ILE N N 15 2.31945 0.00954 . . . . 157 ILE N 18903 2 99 . 1 1 157 157 ILE N N 15 2.49182 0.01207 . . . . 158 ILE N 18903 2 100 . 1 1 158 158 ASP N N 15 2.47717 0.01148 . . . . 159 ASP N 18903 2 101 . 1 1 163 163 ASP N N 15 1.88161 0.00989 . . . . 164 ASP N 18903 2 102 . 1 1 164 164 TYR N N 15 1.77870 0.00954 . . . . 165 TYR N 18903 2 103 . 1 1 166 166 ASP N N 15 1.71576 0.00828 . . . . 167 ASP N 18903 2 104 . 1 1 169 169 GLU N N 15 1.53998 0.00607 . . . . 170 GLU N 18903 2 105 . 1 1 172 172 LYS N N 15 1.02174 0.00604 . . . . 173 LYS N 18903 2 stop_ save_ #################################################### # Dipole-CSA cross correlation relaxation values # #################################################### save_D_CSA_cross_correlation_relaxation_list_1 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_1 _Cross_correlation_D_CSA_list.Entry_ID 18903 _Cross_correlation_D_CSA_list.ID 1 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 600.05 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'longitudinal cross-correlated cross-relaxation' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 6 '2D 15N,1H correlation - longitudinal cross-correlated cross-relaxation (symmetrical reconversion)' . . . 18903 1 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 72 72 ASP N N 15 . 1 1 73 73 ASP N N 15 -1.14908 0.07872 . . . . . . . 73 ASP N 18903 1 2 . 1 1 73 73 GLN N N 15 . 1 1 74 74 GLN N N 15 -0.98771 0.03877 . . . . . . . 74 GLN N 18903 1 3 . 1 1 74 74 THR N N 15 . 1 1 75 75 THR N N 15 -0.80245 0.02592 . . . . . . . 75 THR N 18903 1 4 . 1 1 75 75 TRP N N 15 . 1 1 76 76 TRP N N 15 -0.90846 0.04472 . . . . . . . 76 TRP N 18903 1 5 . 1 1 76 76 GLY N N 15 . 1 1 77 77 GLY N N 15 -0.91297 0.03900 . . . . . . . 77 GLY N 18903 1 6 . 1 1 79 79 SER N N 15 . 1 1 80 80 SER N N 15 -0.90297 0.04332 . . . . . . . 80 SER N 18903 1 7 . 1 1 80 80 TRP N N 15 . 1 1 81 81 TRP N N 15 -1.07408 0.02050 . . . . . . . 81 TRP N 18903 1 8 . 1 1 81 81 TYR N N 15 . 1 1 82 82 TYR N N 15 -1.07092 0.01912 . . . . . . . 82 TYR N 18903 1 9 . 1 1 84 84 ASP N N 15 . 1 1 85 85 ASP N N 15 -0.89016 0.00485 . . . . . . . 85 ASP N 18903 1 10 . 1 1 85 85 GLN N N 15 . 1 1 86 86 GLN N N 15 -0.87784 0.00456 . . . . . . . 86 GLN N 18903 1 11 . 1 1 86 86 LEU N N 15 . 1 1 87 87 LEU N N 15 -0.83342 0.00382 . . . . . . . 87 LEU N 18903 1 12 . 1 1 89 89 GLU N N 15 . 1 1 90 90 GLU N N 15 -0.81540 0.00350 . . . . . . . 90 GLU N 18903 1 13 . 1 1 90 90 THR N N 15 . 1 1 91 91 THR N N 15 -0.77458 0.00539 . . . . . . . 91 THR N 18903 1 14 . 1 1 91 91 GLN N N 15 . 1 1 92 92 GLN N N 15 -0.77369 0.00550 . . . . . . . 92 GLN N 18903 1 15 . 1 1 93 93 THR N N 15 . 1 1 94 94 THR N N 15 -0.74947 0.00868 . . . . . . . 94 THR N 18903 1 16 . 1 1 94 94 VAL N N 15 . 1 1 95 95 VAL N N 15 -0.81854 0.00522 . . . . . . . 95 VAL N 18903 1 17 . 1 1 96 96 ALA N N 15 . 1 1 97 97 ALA N N 15 -0.88213 0.00700 . . . . . . . 97 ALA N 18903 1 18 . 1 1 100 100 LYS N N 15 . 1 1 101 101 LYS N N 15 -1.00811 0.00665 . . . . . . . 101 LYS N 18903 1 19 . 1 1 101 101 ALA N N 15 . 1 1 102 102 ALA N N 15 -1.01576 0.00686 . . . . . . . 102 ALA N 18903 1 20 . 1 1 105 105 VAL N N 15 . 1 1 106 106 VAL N N 15 -0.87582 0.00312 . . . . . . . 106 VAL N 18903 1 21 . 1 1 114 114 PHE N N 15 . 1 1 115 115 PHE N N 15 -0.93556 0.00299 . . . . . . . 115 PHE N 18903 1 22 . 1 1 115 115 GLU N N 15 . 1 1 116 116 GLU N N 15 -0.95662 0.00367 . . . . . . . 116 GLU N 18903 1 23 . 1 1 117 117 ILE N N 15 . 1 1 118 118 ILE N N 15 -0.92017 0.00334 . . . . . . . 118 ILE N 18903 1 24 . 1 1 118 118 ASP N N 15 . 1 1 119 119 ASP N N 15 -0.96325 0.00338 . . . . . . . 119 ASP N 18903 1 25 . 1 1 120 120 ASP N N 15 . 1 1 121 121 ASP N N 15 -0.92181 0.00275 . . . . . . . 121 ASP N 18903 1 26 . 1 1 121 121 ASP N N 15 . 1 1 122 122 ASP N N 15 -0.91836 0.00276 . . . . . . . 122 ASP N 18903 1 27 . 1 1 126 126 GLU N N 15 . 1 1 127 127 GLU N N 15 -0.78772 0.00221 . . . . . . . 127 GLU N 18903 1 28 . 1 1 127 127 VAL N N 15 . 1 1 128 128 VAL N N 15 -0.76509 0.00255 . . . . . . . 128 VAL N 18903 1 29 . 1 1 128 128 GLU N N 15 . 1 1 129 129 GLU N N 15 -0.77921 0.00248 . . . . . . . 129 GLU N 18903 1 30 . 1 1 134 134 GLU N N 15 . 1 1 135 135 GLU N N 15 -0.74458 0.00210 . . . . . . . 135 GLU N 18903 1 31 . 1 1 135 135 ALA N N 15 . 1 1 136 136 ALA N N 15 -0.68913 0.00193 . . . . . . . 136 ALA N 18903 1 32 . 1 1 138 138 PHE N N 15 . 1 1 139 139 PHE N N 15 -0.69192 0.00201 . . . . . . . 139 PHE N 18903 1 33 . 1 1 140 140 GLU N N 15 . 1 1 141 141 GLU N N 15 -0.68815 0.00183 . . . . . . . 141 GLU N 18903 1 34 . 1 1 151 151 GLU N N 15 . 1 1 152 152 GLU N N 15 -0.71412 0.00209 . . . . . . . 152 GLU N 18903 1 35 . 1 1 152 152 ILE N N 15 . 1 1 153 153 ILE N N 15 -0.67978 0.00204 . . . . . . . 153 ILE N 18903 1 36 . 1 1 153 153 GLU N N 15 . 1 1 154 154 GLU N N 15 -0.71800 0.00199 . . . . . . . 154 GLU N 18903 1 37 . 1 1 155 155 ASP N N 15 . 1 1 156 156 ASP N N 15 -0.71351 0.00179 . . . . . . . 156 ASP N 18903 1 38 . 1 1 156 156 ILE N N 15 . 1 1 157 157 ILE N N 15 -0.68764 0.00187 . . . . . . . 157 ILE N 18903 1 39 . 1 1 157 157 ILE N N 15 . 1 1 158 158 ILE N N 15 -0.71014 0.00236 . . . . . . . 158 ILE N 18903 1 40 . 1 1 158 158 ASP N N 15 . 1 1 159 159 ASP N N 15 -0.72666 0.00234 . . . . . . . 159 ASP N 18903 1 41 . 1 1 163 163 ASP N N 15 . 1 1 164 164 ASP N N 15 -0.73717 0.00207 . . . . . . . 164 ASP N 18903 1 42 . 1 1 164 164 TYR N N 15 . 1 1 165 165 TYR N N 15 -0.69371 0.00182 . . . . . . . 165 TYR N 18903 1 43 . 1 1 166 166 ASP N N 15 . 1 1 167 167 ASP N N 15 -0.70899 0.00171 . . . . . . . 167 ASP N 18903 1 44 . 1 1 169 169 GLU N N 15 . 1 1 170 170 GLU N N 15 -0.65315 0.00129 . . . . . . . 170 GLU N 18903 1 45 . 1 1 172 172 LYS N N 15 . 1 1 173 173 LYS N N 15 -0.45095 0.00105 . . . . . . . 173 LYS N 18903 1 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_2 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_2 _Cross_correlation_D_CSA_list.Entry_ID 18903 _Cross_correlation_D_CSA_list.ID 2 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 600.05 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details 'transverse cross-correlated cross-relaxation' _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 5 '2D 15N,1H correlation - transverse cross-correlated cross-relaxation (symmetrical reconversion)' . . . 18903 2 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 3 3 LYS N N 15 . 1 1 4 4 LYS N N 15 -7.15743 0.09241 . . . . . . . 4 LYS N 18903 2 2 . 1 1 4 4 GLN N N 15 . 1 1 5 5 GLN N N 15 -7.34316 0.10631 . . . . . . . 5 GLN N 18903 2 3 . 1 1 5 5 TYR N N 15 . 1 1 6 6 TYR N N 15 -6.67215 0.09494 . . . . . . . 6 TYR N 18903 2 4 . 1 1 6 6 SER N N 15 . 1 1 7 7 SER N N 15 -6.61544 0.16980 . . . . . . . 7 SER N 18903 2 5 . 1 1 7 7 GLN N N 15 . 1 1 8 8 GLN N N 15 -7.03298 0.12268 . . . . . . . 8 GLN N 18903 2 6 . 1 1 8 8 GLU N N 15 . 1 1 9 9 GLU N N 15 -6.75826 0.04341 . . . . . . . 9 GLU N 18903 2 7 . 1 1 9 9 GLU N N 15 . 1 1 10 10 GLU N N 15 -6.38458 0.06930 . . . . . . . 10 GLU N 18903 2 8 . 1 1 10 10 LEU N N 15 . 1 1 11 11 LEU N N 15 -6.81751 0.05746 . . . . . . . 11 LEU N 18903 2 9 . 1 1 11 11 LYS N N 15 . 1 1 12 12 LYS N N 15 -7.00479 0.10745 . . . . . . . 12 LYS N 18903 2 10 . 1 1 12 12 GLU N N 15 . 1 1 13 13 GLU N N 15 -6.44217 0.05952 . . . . . . . 13 GLU N 18903 2 11 . 1 1 13 13 MET N N 15 . 1 1 14 14 MET N N 15 -7.15829 0.09085 . . . . . . . 14 MET N 18903 2 12 . 1 1 14 14 ALA N N 15 . 1 1 15 15 ALA N N 15 -7.14814 0.05261 . . . . . . . 15 ALA N 18903 2 13 . 1 1 16 16 VAL N N 15 . 1 1 17 17 VAL N N 15 -7.16669 0.11963 . . . . . . . 17 VAL N 18903 2 14 . 1 1 17 17 GLU N N 15 . 1 1 18 18 GLU N N 15 -8.81445 0.14021 . . . . . . . 18 GLU N 18903 2 15 . 1 1 18 18 ILE N N 15 . 1 1 19 19 ILE N N 15 -7.82616 0.15017 . . . . . . . 19 ILE N 18903 2 16 . 1 1 19 19 ALA N N 15 . 1 1 20 20 ALA N N 15 -7.67050 0.09713 . . . . . . . 20 ALA N 18903 2 17 . 1 1 20 20 HIS N N 15 . 1 1 21 21 HIS N N 15 -7.53125 0.15890 . . . . . . . 21 HIS N 18903 2 18 . 1 1 21 21 GLU N N 15 . 1 1 22 22 GLU N N 15 -7.84964 0.11233 . . . . . . . 22 GLU N 18903 2 19 . 1 1 22 22 LEU N N 15 . 1 1 23 23 LEU N N 15 -4.42656 0.05891 . . . . . . . 23 LEU N 18903 2 20 . 1 1 23 23 PHE N N 15 . 1 1 24 24 PHE N N 15 -7.45393 0.18604 . . . . . . . 24 PHE N 18903 2 21 . 1 1 24 24 GLU N N 15 . 1 1 25 25 GLU N N 15 -7.76680 0.11127 . . . . . . . 25 GLU N 18903 2 22 . 1 1 25 25 GLU N N 15 . 1 1 26 26 GLU N N 15 -7.21067 0.12041 . . . . . . . 26 GLU N 18903 2 23 . 1 1 26 26 HIS N N 15 . 1 1 27 27 HIS N N 15 -6.76448 0.13581 . . . . . . . 27 HIS N 18903 2 24 . 1 1 27 27 LYS N N 15 . 1 1 28 28 LYS N N 15 -7.51390 0.43732 . . . . . . . 28 LYS N 18903 2 25 . 1 1 28 28 LYS N N 15 . 1 1 29 29 LYS N N 15 -8.90374 0.12538 . . . . . . . 29 LYS N 18903 2 26 . 1 1 30 30 VAL N N 15 . 1 1 31 31 VAL N N 15 -7.37118 0.16903 . . . . . . . 31 VAL N 18903 2 27 . 1 1 32 32 PHE N N 15 . 1 1 33 33 PHE N N 15 -9.03413 0.18697 . . . . . . . 33 PHE N 18903 2 28 . 1 1 33 33 GLN N N 15 . 1 1 34 34 GLN N N 15 -8.76189 0.10123 . . . . . . . 34 GLN N 18903 2 29 . 1 1 34 34 GLU N N 15 . 1 1 35 35 GLU N N 15 -9.74451 0.12660 . . . . . . . 35 GLU N 18903 2 30 . 1 1 35 35 LEU N N 15 . 1 1 36 36 LEU N N 15 -8.65649 0.11455 . . . . . . . 36 LEU N 18903 2 31 . 1 1 36 36 LEU N N 15 . 1 1 37 37 LEU N N 15 -8.64206 0.09889 . . . . . . . 37 LEU N 18903 2 32 . 1 1 37 37 ASN N N 15 . 1 1 38 38 ASN N N 15 -9.45113 0.10649 . . . . . . . 38 ASN N 18903 2 33 . 1 1 38 38 GLU N N 15 . 1 1 39 39 GLU N N 15 -5.59882 0.03628 . . . . . . . 39 GLU N 18903 2 34 . 1 1 40 40 ALA N N 15 . 1 1 41 41 ALA N N 15 -8.45597 0.08367 . . . . . . . 41 ALA N 18903 2 35 . 1 1 41 41 SER N N 15 . 1 1 42 42 SER N N 15 -9.18678 0.07443 . . . . . . . 42 SER N 18903 2 36 . 1 1 42 42 LEU N N 15 . 1 1 43 43 LEU N N 15 -8.36128 0.07693 . . . . . . . 43 LEU N 18903 2 37 . 1 1 44 44 GLY N N 15 . 1 1 45 45 GLY N N 15 -9.50371 0.13650 . . . . . . . 45 GLY N 18903 2 38 . 1 1 45 45 VAL N N 15 . 1 1 46 46 VAL N N 15 -8.65684 0.09001 . . . . . . . 46 VAL N 18903 2 39 . 1 1 46 46 LYS N N 15 . 1 1 47 47 LYS N N 15 -7.23905 0.06406 . . . . . . . 47 LYS N 18903 2 40 . 1 1 47 47 LYS N N 15 . 1 1 48 48 LYS N N 15 -6.19517 0.05640 . . . . . . . 48 LYS N 18903 2 41 . 1 1 48 48 GLU N N 15 . 1 1 49 49 GLU N N 15 -6.36533 0.05088 . . . . . . . 49 GLU N 18903 2 42 . 1 1 49 49 GLU N N 15 . 1 1 50 50 GLU N N 15 -7.12132 0.05834 . . . . . . . 50 GLU N 18903 2 43 . 1 1 50 50 LEU N N 15 . 1 1 51 51 LEU N N 15 -6.77614 0.07064 . . . . . . . 51 LEU N 18903 2 44 . 1 1 51 51 GLY N N 15 . 1 1 52 52 GLY N N 15 -5.36639 0.03629 . . . . . . . 52 GLY N 18903 2 45 . 1 1 52 52 ASP N N 15 . 1 1 53 53 ASP N N 15 -5.91575 0.31465 . . . . . . . 53 ASP N 18903 2 46 . 1 1 53 53 ARG N N 15 . 1 1 54 54 ARG N N 15 -7.44879 0.07303 . . . . . . . 54 ARG N 18903 2 47 . 1 1 54 54 ILE N N 15 . 1 1 55 55 ILE N N 15 -9.56483 0.11836 . . . . . . . 55 ILE N 18903 2 48 . 1 1 56 56 GLN N N 15 . 1 1 57 57 GLN N N 15 -10.08102 0.11872 . . . . . . . 57 GLN N 18903 2 49 . 1 1 57 57 PHE N N 15 . 1 1 58 58 PHE N N 15 -9.03547 0.11067 . . . . . . . 58 PHE N 18903 2 50 . 1 1 58 58 TYR N N 15 . 1 1 59 59 TYR N N 15 -10.19065 0.14737 . . . . . . . 59 TYR N 18903 2 51 . 1 1 60 60 ASP N N 15 . 1 1 61 61 ASP N N 15 -10.13656 0.15175 . . . . . . . 61 ASP N 18903 2 52 . 1 1 62 62 ASN N N 15 . 1 1 63 63 ASN N N 15 -8.11974 0.37233 . . . . . . . 63 ASN N 18903 2 53 . 1 1 63 63 ILE N N 15 . 1 1 64 64 ILE N N 15 -9.75384 0.44824 . . . . . . . 64 ILE N 18903 2 54 . 1 1 64 64 ASP N N 15 . 1 1 65 65 ASP N N 15 -6.31871 0.14781 . . . . . . . 65 ASP N 18903 2 55 . 1 1 66 66 ARG N N 15 . 1 1 67 67 ARG N N 15 -8.43786 0.24440 . . . . . . . 67 ARG N 18903 2 56 . 1 1 67 67 PHE N N 15 . 1 1 68 68 PHE N N 15 -7.62165 0.14481 . . . . . . . 68 PHE N 18903 2 57 . 1 1 68 68 LEU N N 15 . 1 1 69 69 LEU N N 15 -8.70772 0.16202 . . . . . . . 69 LEU N 18903 2 58 . 1 1 69 69 ALA N N 15 . 1 1 70 70 ALA N N 15 -7.20426 0.09355 . . . . . . . 70 ALA N 18903 2 59 . 1 1 71 71 SER N N 15 . 1 1 72 72 SER N N 15 -5.04954 0.20678 . . . . . . . 72 SER N 18903 2 60 . 1 1 72 72 ASP N N 15 . 1 1 73 73 ASP N N 15 -6.28396 0.16758 . . . . . . . 73 ASP N 18903 2 61 . 1 1 73 73 GLN N N 15 . 1 1 74 74 GLN N N 15 -8.82073 0.23076 . . . . . . . 74 GLN N 18903 2 62 . 1 1 74 74 THR N N 15 . 1 1 75 75 THR N N 15 -8.62642 0.19027 . . . . . . . 75 THR N 18903 2 63 . 1 1 75 75 TRP N N 15 . 1 1 76 76 TRP N N 15 -6.83442 0.18265 . . . . . . . 76 TRP N 18903 2 64 . 1 1 76 76 GLY N N 15 . 1 1 77 77 GLY N N 15 -5.89865 0.13011 . . . . . . . 77 GLY N 18903 2 65 . 1 1 79 79 SER N N 15 . 1 1 80 80 SER N N 15 -9.91627 0.23690 . . . . . . . 80 SER N 18903 2 66 . 1 1 80 80 TRP N N 15 . 1 1 81 81 TRP N N 15 -8.39344 0.11410 . . . . . . . 81 TRP N 18903 2 67 . 1 1 81 81 TYR N N 15 . 1 1 82 82 TYR N N 15 -7.29430 0.10223 . . . . . . . 82 TYR N 18903 2 68 . 1 1 84 84 ASP N N 15 . 1 1 85 85 ASP N N 15 -2.81099 0.01320 . . . . . . . 85 ASP N 18903 2 69 . 1 1 85 85 GLN N N 15 . 1 1 86 86 GLN N N 15 -2.95747 0.01252 . . . . . . . 86 GLN N 18903 2 70 . 1 1 86 86 LEU N N 15 . 1 1 87 87 LEU N N 15 -2.24175 0.01006 . . . . . . . 87 LEU N 18903 2 71 . 1 1 89 89 GLU N N 15 . 1 1 90 90 GLU N N 15 -2.08568 0.00926 . . . . . . . 90 GLU N 18903 2 72 . 1 1 90 90 THR N N 15 . 1 1 91 91 THR N N 15 -1.96749 0.01318 . . . . . . . 91 THR N 18903 2 73 . 1 1 91 91 GLN N N 15 . 1 1 92 92 GLN N N 15 -2.25612 0.01354 . . . . . . . 92 GLN N 18903 2 74 . 1 1 93 93 THR N N 15 . 1 1 94 94 THR N N 15 -2.19767 0.01657 . . . . . . . 94 THR N 18903 2 75 . 1 1 94 94 VAL N N 15 . 1 1 95 95 VAL N N 15 -2.31046 0.01179 . . . . . . . 95 VAL N 18903 2 76 . 1 1 96 96 ALA N N 15 . 1 1 97 97 ALA N N 15 -2.60996 0.01414 . . . . . . . 97 ALA N 18903 2 77 . 1 1 100 100 LYS N N 15 . 1 1 101 101 LYS N N 15 -3.14235 0.01412 . . . . . . . 101 LYS N 18903 2 78 . 1 1 101 101 ALA N N 15 . 1 1 102 102 ALA N N 15 -2.92132 0.01427 . . . . . . . 102 ALA N 18903 2 79 . 1 1 105 105 VAL N N 15 . 1 1 106 106 VAL N N 15 -2.14990 0.00809 . . . . . . . 106 VAL N 18903 2 80 . 1 1 114 114 PHE N N 15 . 1 1 115 115 PHE N N 15 -2.28281 0.00835 . . . . . . . 115 PHE N 18903 2 81 . 1 1 115 115 GLU N N 15 . 1 1 116 116 GLU N N 15 -2.38118 0.00910 . . . . . . . 116 GLU N 18903 2 82 . 1 1 117 117 ILE N N 15 . 1 1 118 118 ILE N N 15 -2.30274 0.00858 . . . . . . . 118 ILE N 18903 2 83 . 1 1 118 118 ASP N N 15 . 1 1 119 119 ASP N N 15 -2.45743 0.00897 . . . . . . . 119 ASP N 18903 2 84 . 1 1 120 120 ASP N N 15 . 1 1 121 121 ASP N N 15 -2.32758 0.00799 . . . . . . . 121 ASP N 18903 2 85 . 1 1 121 121 ASP N N 15 . 1 1 122 122 ASP N N 15 -2.24650 0.00768 . . . . . . . 122 ASP N 18903 2 86 . 1 1 126 126 GLU N N 15 . 1 1 127 127 GLU N N 15 -1.75246 0.00622 . . . . . . . 127 GLU N 18903 2 87 . 1 1 127 127 VAL N N 15 . 1 1 128 128 VAL N N 15 -1.96119 0.00720 . . . . . . . 128 VAL N 18903 2 88 . 1 1 128 128 GLU N N 15 . 1 1 129 129 GLU N N 15 -1.94639 0.00697 . . . . . . . 129 GLU N 18903 2 89 . 1 1 134 134 GLU N N 15 . 1 1 135 135 GLU N N 15 -1.39299 0.00546 . . . . . . . 135 GLU N 18903 2 90 . 1 1 135 135 ALA N N 15 . 1 1 136 136 ALA N N 15 -1.64239 0.00576 . . . . . . . 136 ALA N 18903 2 91 . 1 1 138 138 PHE N N 15 . 1 1 139 139 PHE N N 15 -1.27421 0.00630 . . . . . . . 139 PHE N 18903 2 92 . 1 1 140 140 GLU N N 15 . 1 1 141 141 GLU N N 15 -1.35598 0.00510 . . . . . . . 141 GLU N 18903 2 93 . 1 1 151 151 GLU N N 15 . 1 1 152 152 GLU N N 15 -1.32042 0.00590 . . . . . . . 152 GLU N 18903 2 94 . 1 1 152 152 ILE N N 15 . 1 1 153 153 ILE N N 15 -1.59215 0.00576 . . . . . . . 153 ILE N 18903 2 95 . 1 1 153 153 GLU N N 15 . 1 1 154 154 GLU N N 15 -1.46791 0.00552 . . . . . . . 154 GLU N 18903 2 96 . 1 1 155 155 ASP N N 15 . 1 1 156 156 ASP N N 15 -1.42453 0.00509 . . . . . . . 156 ASP N 18903 2 97 . 1 1 156 156 ILE N N 15 . 1 1 157 157 ILE N N 15 -1.35998 0.00536 . . . . . . . 157 ILE N 18903 2 98 . 1 1 157 157 ILE N N 15 . 1 1 158 158 ILE N N 15 -1.47377 0.00653 . . . . . . . 158 ILE N 18903 2 99 . 1 1 158 158 ASP N N 15 . 1 1 159 159 ASP N N 15 -1.59453 0.00669 . . . . . . . 159 ASP N 18903 2 100 . 1 1 163 163 ASP N N 15 . 1 1 164 164 ASP N N 15 -1.25204 0.00594 . . . . . . . 164 ASP N 18903 2 101 . 1 1 164 164 TYR N N 15 . 1 1 165 165 TYR N N 15 -1.12526 0.00544 . . . . . . . 165 TYR N 18903 2 102 . 1 1 166 166 ASP N N 15 . 1 1 167 167 ASP N N 15 -1.12222 0.00470 . . . . . . . 167 ASP N 18903 2 103 . 1 1 169 169 GLU N N 15 . 1 1 170 170 GLU N N 15 -0.91243 0.00360 . . . . . . . 170 GLU N 18903 2 104 . 1 1 172 172 LYS N N 15 . 1 1 173 173 LYS N N 15 -0.56484 0.00330 . . . . . . . 173 LYS N 18903 2 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_3 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_3 _Cross_correlation_D_CSA_list.Entry_ID 18903 _Cross_correlation_D_CSA_list.ID 3 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 500.13 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details . _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D 15N (coupled),1H correlation' . . . 18903 3 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 4 4 GLN N N 15 . 1 1 5 5 GLN N N 15 -6.91345 0.33358 . . . . . . . 5 GLN N 18903 3 2 . 1 1 6 6 SER N N 15 . 1 1 7 7 SER N N 15 -6.35890 0.49817 . . . . . . . 7 SER N 18903 3 3 . 1 1 13 13 MET N N 15 . 1 1 14 14 MET N N 15 -5.93572 0.24508 . . . . . . . 14 MET N 18903 3 4 . 1 1 14 14 ALA N N 15 . 1 1 15 15 ALA N N 15 -6.77202 0.19866 . . . . . . . 15 ALA N 18903 3 5 . 1 1 16 16 VAL N N 15 . 1 1 17 17 VAL N N 15 -5.51363 0.33674 . . . . . . . 17 VAL N 18903 3 6 . 1 1 17 17 GLU N N 15 . 1 1 18 18 GLU N N 15 -7.52136 0.40865 . . . . . . . 18 GLU N 18903 3 7 . 1 1 18 18 ILE N N 15 . 1 1 19 19 ILE N N 15 -7.27948 0.41326 . . . . . . . 19 ILE N 18903 3 8 . 1 1 19 19 ALA N N 15 . 1 1 20 20 ALA N N 15 -6.67381 0.29131 . . . . . . . 20 ALA N 18903 3 9 . 1 1 20 20 HIS N N 15 . 1 1 21 21 HIS N N 15 -6.78200 0.38238 . . . . . . . 21 HIS N 18903 3 10 . 1 1 21 21 GLU N N 15 . 1 1 22 22 GLU N N 15 -6.58794 0.29497 . . . . . . . 22 GLU N 18903 3 11 . 1 1 23 23 PHE N N 15 . 1 1 24 24 PHE N N 15 -6.28288 0.56936 . . . . . . . 24 PHE N 18903 3 12 . 1 1 25 25 GLU N N 15 . 1 1 26 26 GLU N N 15 -6.40626 0.27025 . . . . . . . 26 GLU N 18903 3 13 . 1 1 26 26 HIS N N 15 . 1 1 27 27 HIS N N 15 -5.71010 0.37136 . . . . . . . 27 HIS N 18903 3 14 . 1 1 27 27 LYS N N 15 . 1 1 28 28 LYS N N 15 -7.13335 0.95173 . . . . . . . 28 LYS N 18903 3 15 . 1 1 28 28 LYS N N 15 . 1 1 29 29 LYS N N 15 -7.57617 0.27546 . . . . . . . 29 LYS N 18903 3 16 . 1 1 32 32 PHE N N 15 . 1 1 33 33 PHE N N 15 -7.23297 0.37651 . . . . . . . 33 PHE N 18903 3 17 . 1 1 33 33 GLN N N 15 . 1 1 34 34 GLN N N 15 -7.52207 0.25391 . . . . . . . 34 GLN N 18903 3 18 . 1 1 34 34 GLU N N 15 . 1 1 35 35 GLU N N 15 -8.36741 0.36875 . . . . . . . 35 GLU N 18903 3 19 . 1 1 35 35 LEU N N 15 . 1 1 36 36 LEU N N 15 -7.53420 0.29792 . . . . . . . 36 LEU N 18903 3 20 . 1 1 36 36 LEU N N 15 . 1 1 37 37 LEU N N 15 -7.64525 0.31390 . . . . . . . 37 LEU N 18903 3 21 . 1 1 37 37 ASN N N 15 . 1 1 38 38 ASN N N 15 -8.05925 0.26608 . . . . . . . 38 ASN N 18903 3 22 . 1 1 41 41 SER N N 15 . 1 1 42 42 SER N N 15 -8.05561 0.20813 . . . . . . . 42 SER N 18903 3 23 . 1 1 42 42 LEU N N 15 . 1 1 43 43 LEU N N 15 -7.95361 0.26773 . . . . . . . 43 LEU N 18903 3 24 . 1 1 44 44 GLY N N 15 . 1 1 45 45 GLY N N 15 -8.44242 0.28888 . . . . . . . 45 GLY N 18903 3 25 . 1 1 45 45 VAL N N 15 . 1 1 46 46 VAL N N 15 -8.05744 0.27449 . . . . . . . 46 VAL N 18903 3 26 . 1 1 48 48 GLU N N 15 . 1 1 49 49 GLU N N 15 -5.55709 0.17255 . . . . . . . 49 GLU N 18903 3 27 . 1 1 50 50 LEU N N 15 . 1 1 51 51 LEU N N 15 -5.51247 0.24638 . . . . . . . 51 LEU N 18903 3 28 . 1 1 51 51 GLY N N 15 . 1 1 52 52 GLY N N 15 -4.61882 0.11413 . . . . . . . 52 GLY N 18903 3 29 . 1 1 52 52 ASP N N 15 . 1 1 53 53 ASP N N 15 -4.96907 1.16747 . . . . . . . 53 ASP N 18903 3 30 . 1 1 53 53 ARG N N 15 . 1 1 54 54 ARG N N 15 -6.12201 0.23682 . . . . . . . 54 ARG N 18903 3 31 . 1 1 54 54 ILE N N 15 . 1 1 55 55 ILE N N 15 -7.77212 0.30934 . . . . . . . 55 ILE N 18903 3 32 . 1 1 56 56 GLN N N 15 . 1 1 57 57 GLN N N 15 -7.94231 0.25232 . . . . . . . 57 GLN N 18903 3 33 . 1 1 58 58 TYR N N 15 . 1 1 59 59 TYR N N 15 -8.40896 0.29177 . . . . . . . 59 TYR N 18903 3 34 . 1 1 62 62 ASN N N 15 . 1 1 63 63 ASN N N 15 -6.60298 1.22684 . . . . . . . 63 ASN N 18903 3 35 . 1 1 66 66 ARG N N 15 . 1 1 67 67 ARG N N 15 -7.26975 0.51574 . . . . . . . 67 ARG N 18903 3 36 . 1 1 69 69 ALA N N 15 . 1 1 70 70 ALA N N 15 -6.27007 0.26630 . . . . . . . 70 ALA N 18903 3 37 . 1 1 73 73 GLN N N 15 . 1 1 74 74 GLN N N 15 -8.78488 0.49855 . . . . . . . 74 GLN N 18903 3 38 . 1 1 74 74 THR N N 15 . 1 1 75 75 THR N N 15 -7.04638 0.50587 . . . . . . . 75 THR N 18903 3 39 . 1 1 76 76 GLY N N 15 . 1 1 77 77 GLY N N 15 -5.45086 0.33821 . . . . . . . 77 GLY N 18903 3 40 . 1 1 79 79 SER N N 15 . 1 1 80 80 SER N N 15 -8.92583 0.52209 . . . . . . . 80 SER N 18903 3 41 . 1 1 80 80 TRP N N 15 . 1 1 81 81 TRP N N 15 -6.57159 0.32064 . . . . . . . 81 TRP N 18903 3 42 . 1 1 81 81 TYR N N 15 . 1 1 82 82 TYR N N 15 -6.25491 0.26717 . . . . . . . 82 TYR N 18903 3 43 . 1 1 90 90 THR N N 15 . 1 1 91 91 THR N N 15 -1.72067 0.04704 . . . . . . . 91 THR N 18903 3 44 . 1 1 93 93 THR N N 15 . 1 1 94 94 THR N N 15 -1.99703 0.06572 . . . . . . . 94 THR N 18903 3 45 . 1 1 105 105 VAL N N 15 . 1 1 106 106 VAL N N 15 -1.45903 0.02341 . . . . . . . 106 VAL N 18903 3 46 . 1 1 115 115 GLU N N 15 . 1 1 116 116 GLU N N 15 -2.01549 0.03389 . . . . . . . 116 GLU N 18903 3 47 . 1 1 127 127 VAL N N 15 . 1 1 128 128 VAL N N 15 -1.80023 0.02986 . . . . . . . 128 VAL N 18903 3 48 . 1 1 128 128 GLU N N 15 . 1 1 129 129 GLU N N 15 -1.85266 0.03299 . . . . . . . 129 GLU N 18903 3 49 . 1 1 134 134 GLU N N 15 . 1 1 135 135 GLU N N 15 -1.13742 0.02513 . . . . . . . 135 GLU N 18903 3 50 . 1 1 138 138 PHE N N 15 . 1 1 139 139 PHE N N 15 -1.18049 0.02368 . . . . . . . 139 PHE N 18903 3 51 . 1 1 140 140 GLU N N 15 . 1 1 141 141 GLU N N 15 -1.28826 0.02310 . . . . . . . 141 GLU N 18903 3 52 . 1 1 152 152 ILE N N 15 . 1 1 153 153 ILE N N 15 -1.40048 0.02495 . . . . . . . 153 ILE N 18903 3 53 . 1 1 153 153 GLU N N 15 . 1 1 154 154 GLU N N 15 -1.35789 0.02664 . . . . . . . 154 GLU N 18903 3 54 . 1 1 155 155 ASP N N 15 . 1 1 156 156 ASP N N 15 -1.32175 0.02448 . . . . . . . 156 ASP N 18903 3 55 . 1 1 156 156 ILE N N 15 . 1 1 157 157 ILE N N 15 -1.42971 0.02147 . . . . . . . 157 ILE N 18903 3 56 . 1 1 157 157 ILE N N 15 . 1 1 158 158 ILE N N 15 -1.29997 0.02536 . . . . . . . 158 ILE N 18903 3 57 . 1 1 158 158 ASP N N 15 . 1 1 159 159 ASP N N 15 -1.47200 0.02864 . . . . . . . 159 ASP N 18903 3 58 . 1 1 164 164 TYR N N 15 . 1 1 165 165 TYR N N 15 -1.03382 0.02266 . . . . . . . 165 TYR N 18903 3 59 . 1 1 166 166 ASP N N 15 . 1 1 167 167 ASP N N 15 -1.03353 0.01956 . . . . . . . 167 ASP N 18903 3 60 . 1 1 172 172 LYS N N 15 . 1 1 173 173 LYS N N 15 -0.50406 0.01729 . . . . . . . 173 LYS N 18903 3 stop_ save_ save_D_CSA_cross_correlation_relaxation_list_4 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode D_CSA_cross_correlation_relaxation_list_4 _Cross_correlation_D_CSA_list.Entry_ID 18903 _Cross_correlation_D_CSA_list.ID 4 _Cross_correlation_D_CSA_list.Name . _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 600.05 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details . _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 4 '2D 15N (coupled),1H correlation' . . . 18903 4 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 4 4 GLN N N 15 . 1 1 5 5 GLN N N 15 -7.65911 0.75575 . . . . . . . 5 GLN N 18903 4 2 . 1 1 6 6 SER N N 15 . 1 1 7 7 SER N N 15 -5.84774 1.07305 . . . . . . . 7 SER N 18903 4 3 . 1 1 13 13 MET N N 15 . 1 1 14 14 MET N N 15 -6.86661 0.65061 . . . . . . . 14 MET N 18903 4 4 . 1 1 14 14 ALA N N 15 . 1 1 15 15 ALA N N 15 -7.21243 0.42240 . . . . . . . 15 ALA N 18903 4 5 . 1 1 16 16 VAL N N 15 . 1 1 17 17 VAL N N 15 -7.17306 0.92185 . . . . . . . 17 VAL N 18903 4 6 . 1 1 17 17 GLU N N 15 . 1 1 18 18 GLU N N 15 -8.62596 1.17528 . . . . . . . 18 GLU N 18903 4 7 . 1 1 18 18 ILE N N 15 . 1 1 19 19 ILE N N 15 -7.35906 1.07591 . . . . . . . 19 ILE N 18903 4 8 . 1 1 19 19 ALA N N 15 . 1 1 20 20 ALA N N 15 -8.09763 0.78437 . . . . . . . 20 ALA N 18903 4 9 . 1 1 20 20 HIS N N 15 . 1 1 21 21 HIS N N 15 -7.62236 0.88906 . . . . . . . 21 HIS N 18903 4 10 . 1 1 21 21 GLU N N 15 . 1 1 22 22 GLU N N 15 -7.55689 0.83870 . . . . . . . 22 GLU N 18903 4 11 . 1 1 23 23 PHE N N 15 . 1 1 24 24 PHE N N 15 -8.37419 1.62072 . . . . . . . 24 PHE N 18903 4 12 . 1 1 25 25 GLU N N 15 . 1 1 26 26 GLU N N 15 -6.88060 0.80695 . . . . . . . 26 GLU N 18903 4 13 . 1 1 26 26 HIS N N 15 . 1 1 27 27 HIS N N 15 -6.03912 0.97160 . . . . . . . 27 HIS N 18903 4 14 . 1 1 27 27 LYS N N 15 . 1 1 28 28 LYS N N 15 -5.12035 2.26171 . . . . . . . 28 LYS N 18903 4 15 . 1 1 28 28 LYS N N 15 . 1 1 29 29 LYS N N 15 -8.71449 0.82189 . . . . . . . 29 LYS N 18903 4 16 . 1 1 32 32 PHE N N 15 . 1 1 33 33 PHE N N 15 -8.18568 1.21177 . . . . . . . 33 PHE N 18903 4 17 . 1 1 33 33 GLN N N 15 . 1 1 34 34 GLN N N 15 -8.59606 0.78453 . . . . . . . 34 GLN N 18903 4 18 . 1 1 34 34 GLU N N 15 . 1 1 35 35 GLU N N 15 -8.65718 0.98056 . . . . . . . 35 GLU N 18903 4 19 . 1 1 35 35 LEU N N 15 . 1 1 36 36 LEU N N 15 -7.95076 0.71738 . . . . . . . 36 LEU N 18903 4 20 . 1 1 36 36 LEU N N 15 . 1 1 37 37 LEU N N 15 -7.92744 0.64762 . . . . . . . 37 LEU N 18903 4 21 . 1 1 37 37 ASN N N 15 . 1 1 38 38 ASN N N 15 -9.20076 0.84336 . . . . . . . 38 ASN N 18903 4 22 . 1 1 41 41 SER N N 15 . 1 1 42 42 SER N N 15 -9.69307 0.60603 . . . . . . . 42 SER N 18903 4 23 . 1 1 42 42 LEU N N 15 . 1 1 43 43 LEU N N 15 -7.78410 0.57117 . . . . . . . 43 LEU N 18903 4 24 . 1 1 44 44 GLY N N 15 . 1 1 45 45 GLY N N 15 -9.91828 0.92510 . . . . . . . 45 GLY N 18903 4 25 . 1 1 45 45 VAL N N 15 . 1 1 46 46 VAL N N 15 -7.92838 0.72420 . . . . . . . 46 VAL N 18903 4 26 . 1 1 48 48 GLU N N 15 . 1 1 49 49 GLU N N 15 -6.11852 0.38686 . . . . . . . 49 GLU N 18903 4 27 . 1 1 50 50 LEU N N 15 . 1 1 51 51 LEU N N 15 -6.39928 0.55392 . . . . . . . 51 LEU N 18903 4 28 . 1 1 51 51 GLY N N 15 . 1 1 52 52 GLY N N 15 -5.40975 0.21634 . . . . . . . 52 GLY N 18903 4 29 . 1 1 52 52 ASP N N 15 . 1 1 53 53 ASP N N 15 -5.41743 2.84892 . . . . . . . 53 ASP N 18903 4 30 . 1 1 53 53 ARG N N 15 . 1 1 54 54 ARG N N 15 -5.89830 0.48883 . . . . . . . 54 ARG N 18903 4 31 . 1 1 54 54 ILE N N 15 . 1 1 55 55 ILE N N 15 -9.11854 0.84590 . . . . . . . 55 ILE N 18903 4 32 . 1 1 56 56 GLN N N 15 . 1 1 57 57 GLN N N 15 -9.82101 0.79640 . . . . . . . 57 GLN N 18903 4 33 . 1 1 62 62 ASN N N 15 . 1 1 63 63 ASN N N 15 -7.25084 3.62053 . . . . . . . 63 ASN N 18903 4 34 . 1 1 66 66 ARG N N 15 . 1 1 67 67 ARG N N 15 -9.14524 1.88757 . . . . . . . 67 ARG N 18903 4 35 . 1 1 69 69 ALA N N 15 . 1 1 70 70 ALA N N 15 -7.90984 0.71120 . . . . . . . 70 ALA N 18903 4 36 . 1 1 74 74 THR N N 15 . 1 1 75 75 THR N N 15 -8.91758 1.54066 . . . . . . . 75 THR N 18903 4 37 . 1 1 76 76 GLY N N 15 . 1 1 77 77 GLY N N 15 -5.97946 0.75691 . . . . . . . 77 GLY N 18903 4 38 . 1 1 80 80 TRP N N 15 . 1 1 81 81 TRP N N 15 -9.69485 0.95708 . . . . . . . 81 TRP N 18903 4 39 . 1 1 81 81 TYR N N 15 . 1 1 82 82 TYR N N 15 -7.28319 0.64082 . . . . . . . 82 TYR N 18903 4 40 . 1 1 90 90 THR N N 15 . 1 1 91 91 THR N N 15 -1.93957 0.08475 . . . . . . . 91 THR N 18903 4 41 . 1 1 93 93 THR N N 15 . 1 1 94 94 THR N N 15 -2.07474 0.10753 . . . . . . . 94 THR N 18903 4 42 . 1 1 105 105 VAL N N 15 . 1 1 106 106 VAL N N 15 -2.23223 0.04744 . . . . . . . 106 VAL N 18903 4 43 . 1 1 115 115 GLU N N 15 . 1 1 116 116 GLU N N 15 -2.45146 0.06150 . . . . . . . 116 GLU N 18903 4 44 . 1 1 128 128 GLU N N 15 . 1 1 129 129 GLU N N 15 -1.80641 0.04739 . . . . . . . 129 GLU N 18903 4 45 . 1 1 134 134 GLU N N 15 . 1 1 135 135 GLU N N 15 -1.39944 0.03897 . . . . . . . 135 GLU N 18903 4 46 . 1 1 138 138 PHE N N 15 . 1 1 139 139 PHE N N 15 -1.26664 0.05498 . . . . . . . 139 PHE N 18903 4 47 . 1 1 152 152 ILE N N 15 . 1 1 153 153 ILE N N 15 -1.64204 0.04243 . . . . . . . 153 ILE N 18903 4 48 . 1 1 153 153 GLU N N 15 . 1 1 154 154 GLU N N 15 -1.40426 0.04535 . . . . . . . 154 GLU N 18903 4 49 . 1 1 155 155 ASP N N 15 . 1 1 156 156 ASP N N 15 -1.54363 0.03773 . . . . . . . 156 ASP N 18903 4 50 . 1 1 156 156 ILE N N 15 . 1 1 157 157 ILE N N 15 -1.38605 0.03455 . . . . . . . 157 ILE N 18903 4 51 . 1 1 157 157 ILE N N 15 . 1 1 158 158 ILE N N 15 -1.55312 0.04563 . . . . . . . 158 ILE N 18903 4 52 . 1 1 158 158 ASP N N 15 . 1 1 159 159 ASP N N 15 -1.51828 0.04491 . . . . . . . 159 ASP N 18903 4 53 . 1 1 164 164 TYR N N 15 . 1 1 165 165 TYR N N 15 -1.12058 0.03442 . . . . . . . 165 TYR N 18903 4 54 . 1 1 166 166 ASP N N 15 . 1 1 167 167 ASP N N 15 -1.13227 0.03122 . . . . . . . 167 ASP N 18903 4 55 . 1 1 172 172 LYS N N 15 . 1 1 173 173 LYS N N 15 -0.55954 0.02581 . . . . . . . 173 LYS N 18903 4 stop_ save_