data_27245 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27245 _Entry.Title ; Backbone 15N relaxation data for c-teminal domain of delta subunit of RNA polymerase from bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-06 _Entry.Accession_date 2017-09-06 _Entry.Last_release_date 2017-09-06 _Entry.Original_release_date 2017-09-06 _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 Srb . . . . 27245 2 Jiri Novacek . . . . 27245 3 Pavel Kaderavek . . . . 27245 4 Alzbeta Rabatinova . . . . 27245 5 Libor Krasny . . . . 27245 6 Jitka Zidkova . . . . 27245 7 Jeanette Bobalova . . . . 27245 8 Vladimir Sklenar . . . . 27245 9 Lukas Zidek . . . . 27245 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID dipole_dipole_cross_correlations 2 27245 heteronucl_NOEs 2 27245 heteronucl_T1_relaxation 2 27245 heteronucl_T2_relaxation 1 27245 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 285 27245 'T2 relaxation values' 144 27245 'dipole-dipole cross correlation relaxation values' 201 27245 'heteronuclear NOE values' 284 27245 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 3 . . 2022-06-15 2017-09-06 update author 'add more data sets, etc.' 27245 2 . . 2018-01-18 2017-09-06 update BMRB 'update entry citation' 27245 1 . . 2017-11-03 2017-09-06 original author 'original release' 27245 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16635 'chemical shifts for N-terminal of delta subunit of RNA polymerase from Bacillus subtilis' 27245 BMRB 16912 'chemical shifts for delta subunit of RNA polymerase from Bacillus subtilis' 27245 BMRB 18903 '15N NMR relaxation data for delta subunit of RNA polymerase from Bacillus subtilis' 27245 BMRB 19284 '15N NMR relaxation data for delta subunit of RNA polymerase from Bacillus subtilis' 27245 EMBL CAA89869 . 27245 EMBL CAB15744 . 27245 EMBL CCU60814 . 27245 EMBL CEI59524 . 27245 EMBL CEJ79381 . 27245 GB AAA22710 . 27245 GB ADM39706 . 27245 GB ADV94526 . 27245 GB AEP92774 . 27245 GB AFI30331 . 27245 PDB 2KRC 'Solution structure of the N-terminal domain of Bacillus subtilis delta subunit of RNA polymerase' 27245 PDB 4NC7 'N-terminal domain of delta-subunit of RNA polymerase complexed with I3C and nickel ion' 27245 PDB 4NC8 'N-terminal domain of delta-subunit of RNA polymerase complexed with nickel ions' 27245 REF NP_391597 . 27245 REF WP_003221959 . 27245 REF WP_003227609 . 27245 REF WP_003235832 . 27245 REF WP_003243661 . 27245 SP P12464 . 27245 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27245 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 29071460 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Triple resonance [Formula: see text] NMR relaxation experiments for studies of intrinsically disordered proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 69 _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 133 _Citation.Page_last 146 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pavel Srb . . . . 27245 1 2 Jiri Novacek . . . . 27245 1 3 Pavel Kaderavek . . . . 27245 1 4 Alzbeta Rabatinova . . . . 27245 1 5 Libor Krasny . . . . 27245 1 6 Jitka Zidkova . . . . 27245 1 7 Jeanette Bobalova . . . . 27245 1 8 Vladimir Sklenar . . . . 27245 1 9 Lukas Zidek . . . . 27245 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27245 _Assembly.ID 1 _Assembly.Name delta _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 delta 1 $delta A . yes 'partially disordered' yes no . . . 27245 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_delta _Entity.Sf_category entity _Entity.Sf_framecode delta _Entity.Entry_ID 27245 _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 ; MGIKQYSQEELKEMALVEIA HELFEEHKKPVPFQELLNEI ASLLGVKKEELGDRIAQFYT DLNIDGRFLALSDQTWGLRS WYPYDQLDEETQPTVKAKKK KAKKAVEEDLDLDEFEEIDE DDLDLDEVEEELDLEADDFD EEDLDEDDDDLEIEEDIIDE DDEDYDDEEEEIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27245 1 2 . GLY . 27245 1 3 . ILE . 27245 1 4 . LYS . 27245 1 5 . GLN . 27245 1 6 . TYR . 27245 1 7 . SER . 27245 1 8 . GLN . 27245 1 9 . GLU . 27245 1 10 . GLU . 27245 1 11 . LEU . 27245 1 12 . LYS . 27245 1 13 . GLU . 27245 1 14 . MET . 27245 1 15 . ALA . 27245 1 16 . LEU . 27245 1 17 . VAL . 27245 1 18 . GLU . 27245 1 19 . ILE . 27245 1 20 . ALA . 27245 1 21 . HIS . 27245 1 22 . GLU . 27245 1 23 . LEU . 27245 1 24 . PHE . 27245 1 25 . GLU . 27245 1 26 . GLU . 27245 1 27 . HIS . 27245 1 28 . LYS . 27245 1 29 . LYS . 27245 1 30 . PRO . 27245 1 31 . VAL . 27245 1 32 . PRO . 27245 1 33 . PHE . 27245 1 34 . GLN . 27245 1 35 . GLU . 27245 1 36 . LEU . 27245 1 37 . LEU . 27245 1 38 . ASN . 27245 1 39 . GLU . 27245 1 40 . ILE . 27245 1 41 . ALA . 27245 1 42 . SER . 27245 1 43 . LEU . 27245 1 44 . LEU . 27245 1 45 . GLY . 27245 1 46 . VAL . 27245 1 47 . LYS . 27245 1 48 . LYS . 27245 1 49 . GLU . 27245 1 50 . GLU . 27245 1 51 . LEU . 27245 1 52 . GLY . 27245 1 53 . ASP . 27245 1 54 . ARG . 27245 1 55 . ILE . 27245 1 56 . ALA . 27245 1 57 . GLN . 27245 1 58 . PHE . 27245 1 59 . TYR . 27245 1 60 . THR . 27245 1 61 . ASP . 27245 1 62 . LEU . 27245 1 63 . ASN . 27245 1 64 . ILE . 27245 1 65 . ASP . 27245 1 66 . GLY . 27245 1 67 . ARG . 27245 1 68 . PHE . 27245 1 69 . LEU . 27245 1 70 . ALA . 27245 1 71 . LEU . 27245 1 72 . SER . 27245 1 73 . ASP . 27245 1 74 . GLN . 27245 1 75 . THR . 27245 1 76 . TRP . 27245 1 77 . GLY . 27245 1 78 . LEU . 27245 1 79 . ARG . 27245 1 80 . SER . 27245 1 81 . TRP . 27245 1 82 . TYR . 27245 1 83 . PRO . 27245 1 84 . TYR . 27245 1 85 . ASP . 27245 1 86 . GLN . 27245 1 87 . LEU . 27245 1 88 . ASP . 27245 1 89 . GLU . 27245 1 90 . GLU . 27245 1 91 . THR . 27245 1 92 . GLN . 27245 1 93 . PRO . 27245 1 94 . THR . 27245 1 95 . VAL . 27245 1 96 . LYS . 27245 1 97 . ALA . 27245 1 98 . LYS . 27245 1 99 . LYS . 27245 1 100 . LYS . 27245 1 101 . LYS . 27245 1 102 . ALA . 27245 1 103 . LYS . 27245 1 104 . LYS . 27245 1 105 . ALA . 27245 1 106 . VAL . 27245 1 107 . GLU . 27245 1 108 . GLU . 27245 1 109 . ASP . 27245 1 110 . LEU . 27245 1 111 . ASP . 27245 1 112 . LEU . 27245 1 113 . ASP . 27245 1 114 . GLU . 27245 1 115 . PHE . 27245 1 116 . GLU . 27245 1 117 . GLU . 27245 1 118 . ILE . 27245 1 119 . ASP . 27245 1 120 . GLU . 27245 1 121 . ASP . 27245 1 122 . ASP . 27245 1 123 . LEU . 27245 1 124 . ASP . 27245 1 125 . LEU . 27245 1 126 . ASP . 27245 1 127 . GLU . 27245 1 128 . VAL . 27245 1 129 . GLU . 27245 1 130 . GLU . 27245 1 131 . GLU . 27245 1 132 . LEU . 27245 1 133 . ASP . 27245 1 134 . LEU . 27245 1 135 . GLU . 27245 1 136 . ALA . 27245 1 137 . ASP . 27245 1 138 . ASP . 27245 1 139 . PHE . 27245 1 140 . ASP . 27245 1 141 . GLU . 27245 1 142 . GLU . 27245 1 143 . ASP . 27245 1 144 . LEU . 27245 1 145 . ASP . 27245 1 146 . GLU . 27245 1 147 . ASP . 27245 1 148 . ASP . 27245 1 149 . ASP . 27245 1 150 . ASP . 27245 1 151 . LEU . 27245 1 152 . GLU . 27245 1 153 . ILE . 27245 1 154 . GLU . 27245 1 155 . GLU . 27245 1 156 . ASP . 27245 1 157 . ILE . 27245 1 158 . ILE . 27245 1 159 . ASP . 27245 1 160 . GLU . 27245 1 161 . ASP . 27245 1 162 . ASP . 27245 1 163 . GLU . 27245 1 164 . ASP . 27245 1 165 . TYR . 27245 1 166 . ASP . 27245 1 167 . ASP . 27245 1 168 . GLU . 27245 1 169 . GLU . 27245 1 170 . GLU . 27245 1 171 . GLU . 27245 1 172 . ILE . 27245 1 173 . LYS . 27245 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27245 1 . GLY 2 2 27245 1 . ILE 3 3 27245 1 . LYS 4 4 27245 1 . GLN 5 5 27245 1 . TYR 6 6 27245 1 . SER 7 7 27245 1 . GLN 8 8 27245 1 . GLU 9 9 27245 1 . GLU 10 10 27245 1 . LEU 11 11 27245 1 . LYS 12 12 27245 1 . GLU 13 13 27245 1 . MET 14 14 27245 1 . ALA 15 15 27245 1 . LEU 16 16 27245 1 . VAL 17 17 27245 1 . GLU 18 18 27245 1 . ILE 19 19 27245 1 . ALA 20 20 27245 1 . HIS 21 21 27245 1 . GLU 22 22 27245 1 . LEU 23 23 27245 1 . PHE 24 24 27245 1 . GLU 25 25 27245 1 . GLU 26 26 27245 1 . HIS 27 27 27245 1 . LYS 28 28 27245 1 . LYS 29 29 27245 1 . PRO 30 30 27245 1 . VAL 31 31 27245 1 . PRO 32 32 27245 1 . PHE 33 33 27245 1 . GLN 34 34 27245 1 . GLU 35 35 27245 1 . LEU 36 36 27245 1 . LEU 37 37 27245 1 . ASN 38 38 27245 1 . GLU 39 39 27245 1 . ILE 40 40 27245 1 . ALA 41 41 27245 1 . SER 42 42 27245 1 . LEU 43 43 27245 1 . LEU 44 44 27245 1 . GLY 45 45 27245 1 . VAL 46 46 27245 1 . LYS 47 47 27245 1 . LYS 48 48 27245 1 . GLU 49 49 27245 1 . GLU 50 50 27245 1 . LEU 51 51 27245 1 . GLY 52 52 27245 1 . ASP 53 53 27245 1 . ARG 54 54 27245 1 . ILE 55 55 27245 1 . ALA 56 56 27245 1 . GLN 57 57 27245 1 . PHE 58 58 27245 1 . TYR 59 59 27245 1 . THR 60 60 27245 1 . ASP 61 61 27245 1 . LEU 62 62 27245 1 . ASN 63 63 27245 1 . ILE 64 64 27245 1 . ASP 65 65 27245 1 . GLY 66 66 27245 1 . ARG 67 67 27245 1 . PHE 68 68 27245 1 . LEU 69 69 27245 1 . ALA 70 70 27245 1 . LEU 71 71 27245 1 . SER 72 72 27245 1 . ASP 73 73 27245 1 . GLN 74 74 27245 1 . THR 75 75 27245 1 . TRP 76 76 27245 1 . GLY 77 77 27245 1 . LEU 78 78 27245 1 . ARG 79 79 27245 1 . SER 80 80 27245 1 . TRP 81 81 27245 1 . TYR 82 82 27245 1 . PRO 83 83 27245 1 . TYR 84 84 27245 1 . ASP 85 85 27245 1 . GLN 86 86 27245 1 . LEU 87 87 27245 1 . ASP 88 88 27245 1 . GLU 89 89 27245 1 . GLU 90 90 27245 1 . THR 91 91 27245 1 . GLN 92 92 27245 1 . PRO 93 93 27245 1 . THR 94 94 27245 1 . VAL 95 95 27245 1 . LYS 96 96 27245 1 . ALA 97 97 27245 1 . LYS 98 98 27245 1 . LYS 99 99 27245 1 . LYS 100 100 27245 1 . LYS 101 101 27245 1 . ALA 102 102 27245 1 . LYS 103 103 27245 1 . LYS 104 104 27245 1 . ALA 105 105 27245 1 . VAL 106 106 27245 1 . GLU 107 107 27245 1 . GLU 108 108 27245 1 . ASP 109 109 27245 1 . LEU 110 110 27245 1 . ASP 111 111 27245 1 . LEU 112 112 27245 1 . ASP 113 113 27245 1 . GLU 114 114 27245 1 . PHE 115 115 27245 1 . GLU 116 116 27245 1 . GLU 117 117 27245 1 . ILE 118 118 27245 1 . ASP 119 119 27245 1 . GLU 120 120 27245 1 . ASP 121 121 27245 1 . ASP 122 122 27245 1 . LEU 123 123 27245 1 . ASP 124 124 27245 1 . LEU 125 125 27245 1 . ASP 126 126 27245 1 . GLU 127 127 27245 1 . VAL 128 128 27245 1 . GLU 129 129 27245 1 . GLU 130 130 27245 1 . GLU 131 131 27245 1 . LEU 132 132 27245 1 . ASP 133 133 27245 1 . LEU 134 134 27245 1 . GLU 135 135 27245 1 . ALA 136 136 27245 1 . ASP 137 137 27245 1 . ASP 138 138 27245 1 . PHE 139 139 27245 1 . ASP 140 140 27245 1 . GLU 141 141 27245 1 . GLU 142 142 27245 1 . ASP 143 143 27245 1 . LEU 144 144 27245 1 . ASP 145 145 27245 1 . GLU 146 146 27245 1 . ASP 147 147 27245 1 . ASP 148 148 27245 1 . ASP 149 149 27245 1 . ASP 150 150 27245 1 . LEU 151 151 27245 1 . GLU 152 152 27245 1 . ILE 153 153 27245 1 . GLU 154 154 27245 1 . GLU 155 155 27245 1 . ASP 156 156 27245 1 . ILE 157 157 27245 1 . ILE 158 158 27245 1 . ASP 159 159 27245 1 . GLU 160 160 27245 1 . ASP 161 161 27245 1 . ASP 162 162 27245 1 . GLU 163 163 27245 1 . ASP 164 164 27245 1 . TYR 165 165 27245 1 . ASP 166 166 27245 1 . ASP 167 167 27245 1 . GLU 168 168 27245 1 . GLU 169 169 27245 1 . GLU 170 170 27245 1 . GLU 171 171 27245 1 . ILE 172 172 27245 1 . LYS 173 173 27245 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 27245 _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 . . . . . . . . . . . . . 27245 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 27245 _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 . . . . . . pET22b . . . 27245 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27245 _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% 13C; U-100% 15N]' . . 1 $delta . . 0.8 . . mM . . . . 27245 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 27245 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 27245 1 4 'sodium azide' 'natural abundance' . . . . . . 50 . . uM . . . . 27245 1 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 27245 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 27245 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 27245 _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 27245 1 pH 6.0 . pH 27245 1 pressure 1 . atm 27245 1 temperature 300 . K 27245 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27245 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27245 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27245 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27245 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27245 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27245 2 stop_ save_ save_cleaner3D _Software.Sf_category software _Software.Sf_framecode cleaner3D _Software.Entry_ID 27245 _Software.ID 3 _Software.Type . _Software.Name cleaner3D _Software.Version . _Software.DOI . _Software.Details 'rev 1042' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jan Stanek' . janstanek@chem.uw.edu.pl 27245 3 'Viktor Kozminski' . . 27245 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27245 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27245 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27245 _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 850 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 27245 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27245 1 2 spectrometer_2 Bruker Avance . 850 . . . 27245 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 27245 _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 '3D NUS HNCO R1' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27245 1 2 '3D NUS HNCO R2' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27245 1 3 '3D NUS HNCO Heteronuclear NOE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27245 1 4 '3D NUS HNCO longitudinal cross-correlated cross-relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27245 1 5 '3D NUS HNCO transverse cross-correlated cross-relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27245 1 6 '3D NUS HNCO R1' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27245 1 7 '3D NUS HNCO Heteronuclear NOE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 27245 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 27245 _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 600 _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 '3D NUS HNCO Heteronuclear NOE' . . . 27245 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 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.3785 0.06 . . . . . . . . . . 27245 1 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.4706 0.0108 . . . . . . . . . . 27245 1 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.5335 0.0203 . . . . . . . . . . 27245 1 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.5992 0.0189 . . . . . . . . . . 27245 1 5 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.6921 0.0822 . . . . . . . . . . 27245 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.6656 0.0245 . . . . . . . . . . 27245 1 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.6246 0.0058 . . . . . . . . . . 27245 1 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.7035 0.0043 . . . . . . . . . . 27245 1 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.6605 0.0379 . . . . . . . . . . 27245 1 10 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.7097 0.0241 . . . . . . . . . . 27245 1 11 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.7378 0.0164 . . . . . . . . . . 27245 1 12 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.6791 0.0145 . . . . . . . . . . 27245 1 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.7214 0.012 . . . . . . . . . . 27245 1 14 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.8396 0.0693 . . . . . . . . . . 27245 1 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.704 0.0073 . . . . . . . . . . 27245 1 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.7258 0.0086 . . . . . . . . . . 27245 1 17 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.7692 0.0261 . . . . . . . . . . 27245 1 18 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.8121 0.0051 . . . . . . . . . . 27245 1 19 . 1 1 21 21 HIS N N 15 . 1 1 21 21 HIS H H 1 0.764 0.0588 . . . . . . . . . . 27245 1 20 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.6754 0.0692 . . . . . . . . . . 27245 1 21 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.7543 0.0072 . . . . . . . . . . 27245 1 22 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.8241 0.1472 . . . . . . . . . . 27245 1 23 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.7085 0.0022 . . . . . . . . . . 27245 1 24 . 1 1 27 27 HIS N N 15 . 1 1 27 27 HIS H H 1 0.776 0.0133 . . . . . . . . . . 27245 1 25 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.7338 0.0113 . . . . . . . . . . 27245 1 26 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.7942 0.1171 . . . . . . . . . . 27245 1 27 . 1 1 33 33 PHE N N 15 . 1 1 33 33 PHE H H 1 0.9582 0.115 . . . . . . . . . . 27245 1 28 . 1 1 34 34 GLN N N 15 . 1 1 34 34 GLN H H 1 0.9296 0.0206 . . . . . . . . . . 27245 1 29 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.8771 0.1032 . . . . . . . . . . 27245 1 30 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.9227 0.0109 . . . . . . . . . . 27245 1 31 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.7978 0.0531 . . . . . . . . . . 27245 1 32 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.7519 0.0467 . . . . . . . . . . 27245 1 33 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 0.7813 0.0245 . . . . . . . . . . 27245 1 34 . 1 1 40 40 ILE N N 15 . 1 1 40 40 ILE H H 1 0.5509 0.0202 . . . . . . . . . . 27245 1 35 . 1 1 41 41 ALA N N 15 . 1 1 41 41 ALA H H 1 0.8863 0.0062 . . . . . . . . . . 27245 1 36 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.8945 0.0218 . . . . . . . . . . 27245 1 37 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.7709 0.0995 . . . . . . . . . . 27245 1 38 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.7982 0.0702 . . . . . . . . . . 27245 1 39 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.6981 0.0876 . . . . . . . . . . 27245 1 40 . 1 1 46 46 VAL N N 15 . 1 1 46 46 VAL H H 1 0.6712 0.0122 . . . . . . . . . . 27245 1 41 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.6956 0.0443 . . . . . . . . . . 27245 1 42 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.6802 0.0314 . . . . . . . . . . 27245 1 43 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.7595 0.1267 . . . . . . . . . . 27245 1 44 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.6347 0.0117 . . . . . . . . . . 27245 1 45 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.6586 0.0303 . . . . . . . . . . 27245 1 46 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.6204 0.0574 . . . . . . . . . . 27245 1 47 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.5336 0.0573 . . . . . . . . . . 27245 1 48 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.6965 0.0419 . . . . . . . . . . 27245 1 49 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.7194 0.0803 . . . . . . . . . . 27245 1 50 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.8057 0.0321 . . . . . . . . . . 27245 1 51 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.8824 0.131 . . . . . . . . . . 27245 1 52 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.7176 0.0537 . . . . . . . . . . 27245 1 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.6743 0.0676 . . . . . . . . . . 27245 1 54 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.7524 0.0054 . . . . . . . . . . 27245 1 55 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.7933 0.0661 . . . . . . . . . . 27245 1 56 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.7771 0.1032 . . . . . . . . . . 27245 1 57 . 1 1 67 67 ARG N N 15 . 1 1 67 67 ARG H H 1 0.9675 0.0682 . . . . . . . . . . 27245 1 58 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.9282 0.1319 . . . . . . . . . . 27245 1 59 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.6497 0.0586 . . . . . . . . . . 27245 1 60 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.7042 0.0095 . . . . . . . . . . 27245 1 61 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.7275 0.0421 . . . . . . . . . . 27245 1 62 . 1 1 72 72 SER N N 15 . 1 1 72 72 SER H H 1 0.9237 0.0312 . . . . . . . . . . 27245 1 63 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 0.7806 0.0931 . . . . . . . . . . 27245 1 64 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.5701 0.0577 . . . . . . . . . . 27245 1 65 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 0.6141 0.0164 . . . . . . . . . . 27245 1 66 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 0.7507 0.0345 . . . . . . . . . . 27245 1 67 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.7861 0.0149 . . . . . . . . . . 27245 1 68 . 1 1 79 79 ARG N N 15 . 1 1 79 79 ARG H H 1 0.7117 0.0584 . . . . . . . . . . 27245 1 69 . 1 1 80 80 SER N N 15 . 1 1 80 80 SER H H 1 0.9739 0.0461 . . . . . . . . . . 27245 1 70 . 1 1 81 81 TRP N N 15 . 1 1 81 81 TRP H H 1 0.8659 0.0495 . . . . . . . . . . 27245 1 71 . 1 1 82 82 TYR N N 15 . 1 1 82 82 TYR H H 1 0.7795 0.0532 . . . . . . . . . . 27245 1 72 . 1 1 84 84 TYR N N 15 . 1 1 84 84 TYR H H 1 0.4128 0.002 . . . . . . . . . . 27245 1 73 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.3155 0.0035 . . . . . . . . . . 27245 1 74 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.1745 0.0134 . . . . . . . . . . 27245 1 75 . 1 1 87 87 LEU N N 15 . 1 1 87 87 LEU H H 1 0.0736 0.0017 . . . . . . . . . . 27245 1 76 . 1 1 88 88 ASP N N 15 . 1 1 88 88 ASP H H 1 0.0226 0.0016 . . . . . . . . . . 27245 1 77 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 -0.0387 0.0033 . . . . . . . . . . 27245 1 78 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 -0.1013 0.0257 . . . . . . . . . . 27245 1 79 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 -0.1366 0.0098 . . . . . . . . . . 27245 1 80 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR H H 1 -0.0905 0.0109 . . . . . . . . . . 27245 1 81 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 -0.0461 0.0236 . . . . . . . . . . 27245 1 82 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 -0.0657 0.0125 . . . . . . . . . . 27245 1 83 . 1 1 97 97 ALA N N 15 . 1 1 97 97 ALA H H 1 0.0791 1e-04 . . . . . . . . . . 27245 1 84 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.1126 0.0047 . . . . . . . . . . 27245 1 85 . 1 1 99 99 LYS N N 15 . 1 1 99 99 LYS H H 1 0.2436 1e-04 . . . . . . . . . . 27245 1 86 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.2621 6e-04 . . . . . . . . . . 27245 1 87 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.1627 0.0192 . . . . . . . . . . 27245 1 88 . 1 1 104 104 LYS N N 15 . 1 1 104 104 LYS H H 1 0.1576 0.0078 . . . . . . . . . . 27245 1 89 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.1046 0.0037 . . . . . . . . . . 27245 1 90 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.0581 0.0085 . . . . . . . . . . 27245 1 91 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.064 0.0128 . . . . . . . . . . 27245 1 92 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.0642 0.0083 . . . . . . . . . . 27245 1 93 . 1 1 111 111 ASP N N 15 . 1 1 111 111 ASP H H 1 0.0479 0.0227 . . . . . . . . . . 27245 1 94 . 1 1 113 113 ASP N N 15 . 1 1 113 113 ASP H H 1 0.0694 0.0111 . . . . . . . . . . 27245 1 95 . 1 1 114 114 GLU N N 15 . 1 1 114 114 GLU H H 1 0.0983 0.0045 . . . . . . . . . . 27245 1 96 . 1 1 115 115 PHE N N 15 . 1 1 115 115 PHE H H 1 0.1172 0.0159 . . . . . . . . . . 27245 1 97 . 1 1 116 116 GLU N N 15 . 1 1 116 116 GLU H H 1 0.1102 0.0268 . . . . . . . . . . 27245 1 98 . 1 1 117 117 GLU N N 15 . 1 1 117 117 GLU H H 1 0.0905 0.0211 . . . . . . . . . . 27245 1 99 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.1129 0.0142 . . . . . . . . . . 27245 1 100 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.1515 0.0037 . . . . . . . . . . 27245 1 101 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.0968 0.0171 . . . . . . . . . . 27245 1 102 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.1311 1e-04 . . . . . . . . . . 27245 1 103 . 1 1 122 122 ASP N N 15 . 1 1 122 122 ASP H H 1 0.1247 0.0026 . . . . . . . . . . 27245 1 104 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 0.0251 0.0023 . . . . . . . . . . 27245 1 105 . 1 1 124 124 ASP N N 15 . 1 1 124 124 ASP H H 1 0.0672 0.0013 . . . . . . . . . . 27245 1 106 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.003 1e-04 . . . . . . . . . . 27245 1 107 . 1 1 127 127 GLU N N 15 . 1 1 127 127 GLU H H 1 -0.0615 0.0143 . . . . . . . . . . 27245 1 108 . 1 1 128 128 VAL N N 15 . 1 1 128 128 VAL H H 1 -0.1716 0.0271 . . . . . . . . . . 27245 1 109 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 -0.2006 0.0065 . . . . . . . . . . 27245 1 110 . 1 1 131 131 GLU N N 15 . 1 1 131 131 GLU H H 1 -0.1948 0.0142 . . . . . . . . . . 27245 1 111 . 1 1 133 133 ASP N N 15 . 1 1 133 133 ASP H H 1 -0.2241 0.002 . . . . . . . . . . 27245 1 112 . 1 1 134 134 LEU N N 15 . 1 1 134 134 LEU H H 1 -0.3064 0.0042 . . . . . . . . . . 27245 1 113 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 -0.2613 0.0027 . . . . . . . . . . 27245 1 114 . 1 1 136 136 ALA N N 15 . 1 1 136 136 ALA H H 1 -0.3594 0.0072 . . . . . . . . . . 27245 1 115 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 -0.3402 0.004 . . . . . . . . . . 27245 1 116 . 1 1 138 138 ASP N N 15 . 1 1 138 138 ASP H H 1 -0.3265 0.0203 . . . . . . . . . . 27245 1 117 . 1 1 139 139 PHE N N 15 . 1 1 139 139 PHE H H 1 -0.3153 0.0049 . . . . . . . . . . 27245 1 118 . 1 1 140 140 ASP N N 15 . 1 1 140 140 ASP H H 1 -0.3429 0.0053 . . . . . . . . . . 27245 1 119 . 1 1 141 141 GLU N N 15 . 1 1 141 141 GLU H H 1 -0.3063 0.0076 . . . . . . . . . . 27245 1 120 . 1 1 142 142 GLU N N 15 . 1 1 142 142 GLU H H 1 -0.261 0.0067 . . . . . . . . . . 27245 1 121 . 1 1 143 143 ASP N N 15 . 1 1 143 143 ASP H H 1 -0.2975 0.0085 . . . . . . . . . . 27245 1 122 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 -0.329 0.0089 . . . . . . . . . . 27245 1 123 . 1 1 145 145 ASP N N 15 . 1 1 145 145 ASP H H 1 -0.2648 0.0078 . . . . . . . . . . 27245 1 124 . 1 1 147 147 ASP N N 15 . 1 1 147 147 ASP H H 1 -0.2634 0.0039 . . . . . . . . . . 27245 1 125 . 1 1 148 148 ASP N N 15 . 1 1 148 148 ASP H H 1 -0.2936 0.0188 . . . . . . . . . . 27245 1 126 . 1 1 149 149 ASP N N 15 . 1 1 149 149 ASP H H 1 -0.2459 0.0018 . . . . . . . . . . 27245 1 127 . 1 1 152 152 GLU N N 15 . 1 1 152 152 GLU H H 1 -0.386 0.0061 . . . . . . . . . . 27245 1 128 . 1 1 153 153 ILE N N 15 . 1 1 153 153 ILE H H 1 -0.4396 0.0137 . . . . . . . . . . 27245 1 129 . 1 1 154 154 GLU N N 15 . 1 1 154 154 GLU H H 1 -0.4333 0.002 . . . . . . . . . . 27245 1 130 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 -0.38 0.0034 . . . . . . . . . . 27245 1 131 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 -0.359 0.0059 . . . . . . . . . . 27245 1 132 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 -0.3572 0.0049 . . . . . . . . . . 27245 1 133 . 1 1 158 158 ILE N N 15 . 1 1 158 158 ILE H H 1 -0.4621 0.0107 . . . . . . . . . . 27245 1 134 . 1 1 159 159 ASP N N 15 . 1 1 159 159 ASP H H 1 -0.3543 0.0059 . . . . . . . . . . 27245 1 135 . 1 1 160 160 GLU N N 15 . 1 1 160 160 GLU H H 1 -0.3332 0.0066 . . . . . . . . . . 27245 1 136 . 1 1 161 161 ASP N N 15 . 1 1 161 161 ASP H H 1 -0.2518 2e-04 . . . . . . . . . . 27245 1 137 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 -0.3081 0.0039 . . . . . . . . . . 27245 1 138 . 1 1 164 164 ASP N N 15 . 1 1 164 164 ASP H H 1 -0.2617 0.0087 . . . . . . . . . . 27245 1 139 . 1 1 165 165 TYR N N 15 . 1 1 165 165 TYR H H 1 -0.3014 0.0142 . . . . . . . . . . 27245 1 140 . 1 1 166 166 ASP N N 15 . 1 1 166 166 ASP H H 1 -0.2554 0.0151 . . . . . . . . . . 27245 1 141 . 1 1 167 167 ASP N N 15 . 1 1 167 167 ASP H H 1 -0.3043 0.0081 . . . . . . . . . . 27245 1 142 . 1 1 169 169 GLU N N 15 . 1 1 169 169 GLU H H 1 -0.455 0.0044 . . . . . . . . . . 27245 1 143 . 1 1 170 170 GLU N N 15 . 1 1 170 170 GLU H H 1 -0.7047 0.0023 . . . . . . . . . . 27245 1 144 . 1 1 173 173 LYS N N 15 . 1 1 173 173 LYS H H 1 -1.5439 0.0085 . . . . . . . . . . 27245 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 27245 _Heteronucl_NOE_list.ID 2 _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 850 _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 7 '3D NUS HNCO Heteronuclear NOE' . . . 27245 2 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 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.5145 0.0240 . . . . . . . . . . 27245 2 2 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.6355 0.0346 . . . . . . . . . . 27245 2 3 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN H H 1 0.7028 0.0322 . . . . . . . . . . 27245 2 4 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.6644 0.0295 . . . . . . . . . . 27245 2 5 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.7259 0.0423 . . . . . . . . . . 27245 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.7830 0.0378 . . . . . . . . . . 27245 2 7 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.8198 0.0327 . . . . . . . . . . 27245 2 8 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.7307 0.0335 . . . . . . . . . . 27245 2 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.7761 0.0334 . . . . . . . . . . 27245 2 10 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.7862 0.0354 . . . . . . . . . . 27245 2 11 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.8685 0.0412 . . . . . . . . . . 27245 2 12 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.8173 0.0323 . . . . . . . . . . 27245 2 13 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.7481 0.0416 . . . . . . . . . . 27245 2 14 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.8280 0.0620 . . . . . . . . . . 27245 2 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.7505 0.1065 . . . . . . . . . . 27245 2 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 1.0168 0.0650 . . . . . . . . . . 27245 2 17 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.8104 0.0551 . . . . . . . . . . 27245 2 18 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.8723 0.0576 . . . . . . . . . . 27245 2 19 . 1 1 21 21 HIS N N 15 . 1 1 21 21 HIS H H 1 0.9839 0.0762 . . . . . . . . . . 27245 2 20 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 0.8120 0.0498 . . . . . . . . . . 27245 2 21 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.9553 0.0703 . . . . . . . . . . 27245 2 22 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.7673 0.0697 . . . . . . . . . . 27245 2 23 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.8748 0.0656 . . . . . . . . . . 27245 2 24 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.8286 0.0485 . . . . . . . . . . 27245 2 25 . 1 1 27 27 HIS N N 15 . 1 1 27 27 HIS H H 1 0.8827 0.0623 . . . . . . . . . . 27245 2 26 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.6658 0.1803 . . . . . . . . . . 27245 2 27 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.7651 0.0570 . . . . . . . . . . 27245 2 28 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.8191 0.1286 . . . . . . . . . . 27245 2 29 . 1 1 33 33 PHE N N 15 . 1 1 33 33 PHE H H 1 0.6529 0.0710 . . . . . . . . . . 27245 2 30 . 1 1 34 34 GLN N N 15 . 1 1 34 34 GLN H H 1 0.8951 0.0623 . . . . . . . . . . 27245 2 31 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.7879 0.0476 . . . . . . . . . . 27245 2 32 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.9135 0.0599 . . . . . . . . . . 27245 2 33 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.8785 0.0559 . . . . . . . . . . 27245 2 34 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 0.9126 0.0457 . . . . . . . . . . 27245 2 35 . 1 1 39 39 GLU N N 15 . 1 1 39 39 GLU H H 1 1.0506 0.0685 . . . . . . . . . . 27245 2 36 . 1 1 40 40 ILE N N 15 . 1 1 40 40 ILE H H 1 0.9012 0.0569 . . . . . . . . . . 27245 2 37 . 1 1 41 41 ALA N N 15 . 1 1 41 41 ALA H H 1 0.8880 0.0473 . . . . . . . . . . 27245 2 38 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.8000 0.0401 . . . . . . . . . . 27245 2 39 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.8083 0.0456 . . . . . . . . . . 27245 2 40 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.7145 0.0439 . . . . . . . . . . 27245 2 41 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.8130 0.0562 . . . . . . . . . . 27245 2 42 . 1 1 46 46 VAL N N 15 . 1 1 46 46 VAL H H 1 0.7684 0.0368 . . . . . . . . . . 27245 2 43 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.6798 0.0304 . . . . . . . . . . 27245 2 44 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.7951 0.0403 . . . . . . . . . . 27245 2 45 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.9334 0.0453 . . . . . . . . . . 27245 2 46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.7925 0.0353 . . . . . . . . . . 27245 2 47 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.8706 0.0409 . . . . . . . . . . 27245 2 48 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.8048 0.0333 . . . . . . . . . . 27245 2 49 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.6891 0.0429 . . . . . . . . . . 27245 2 50 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.6575 0.0259 . . . . . . . . . . 27245 2 51 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.7644 0.0639 . . . . . . . . . . 27245 2 52 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.7790 0.0513 . . . . . . . . . . 27245 2 53 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.8181 0.0436 . . . . . . . . . . 27245 2 54 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.7686 0.0514 . . . . . . . . . . 27245 2 55 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.8538 0.0552 . . . . . . . . . . 27245 2 56 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8578 0.0497 . . . . . . . . . . 27245 2 57 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.8137 0.0553 . . . . . . . . . . 27245 2 58 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.9183 0.0781 . . . . . . . . . . 27245 2 59 . 1 1 67 67 ARG N N 15 . 1 1 67 67 ARG H H 1 0.6800 0.1085 . . . . . . . . . . 27245 2 60 . 1 1 68 68 PHE N N 15 . 1 1 68 68 PHE H H 1 0.7601 0.0845 . . . . . . . . . . 27245 2 61 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.9396 0.0756 . . . . . . . . . . 27245 2 62 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.8949 0.0641 . . . . . . . . . . 27245 2 63 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.8047 0.0886 . . . . . . . . . . 27245 2 64 . 1 1 72 72 SER N N 15 . 1 1 72 72 SER H H 1 0.8016 0.1139 . . . . . . . . . . 27245 2 65 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 0.8195 0.0924 . . . . . . . . . . 27245 2 66 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.7270 0.0917 . . . . . . . . . . 27245 2 67 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 0.9232 0.0821 . . . . . . . . . . 27245 2 68 . 1 1 76 76 TRP N N 15 . 1 1 76 76 TRP H H 1 1.1146 0.1470 . . . . . . . . . . 27245 2 69 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.8175 0.0897 . . . . . . . . . . 27245 2 70 . 1 1 79 79 ARG N N 15 . 1 1 79 79 ARG H H 1 0.7647 0.0821 . . . . . . . . . . 27245 2 71 . 1 1 80 80 SER N N 15 . 1 1 80 80 SER H H 1 0.9063 0.0756 . . . . . . . . . . 27245 2 72 . 1 1 81 81 TRP N N 15 . 1 1 81 81 TRP H H 1 0.7813 0.0411 . . . . . . . . . . 27245 2 73 . 1 1 82 82 TYR N N 15 . 1 1 82 82 TYR H H 1 0.8385 0.0482 . . . . . . . . . . 27245 2 74 . 1 1 84 84 TYR N N 15 . 1 1 84 84 TYR H H 1 0.6283 0.0284 . . . . . . . . . . 27245 2 75 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.4421 0.0156 . . . . . . . . . . 27245 2 76 . 1 1 86 86 GLN N N 15 . 1 1 86 86 GLN H H 1 0.3805 0.0132 . . . . . . . . . . 27245 2 77 . 1 1 87 87 LEU N N 15 . 1 1 87 87 LEU H H 1 0.3933 0.0169 . . . . . . . . . . 27245 2 78 . 1 1 88 88 ASP N N 15 . 1 1 88 88 ASP H H 1 0.3345 0.0106 . . . . . . . . . . 27245 2 79 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.2372 0.0139 . . . . . . . . . . 27245 2 80 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.3088 0.0154 . . . . . . . . . . 27245 2 81 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.2190 0.0143 . . . . . . . . . . 27245 2 82 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.2654 0.0126 . . . . . . . . . . 27245 2 83 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.2496 0.0143 . . . . . . . . . . 27245 2 84 . 1 1 97 97 ALA N N 15 . 1 1 97 97 ALA H H 1 0.3719 0.0136 . . . . . . . . . . 27245 2 85 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.3925 0.0115 . . . . . . . . . . 27245 2 86 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.5154 0.0173 . . . . . . . . . . 27245 2 87 . 1 1 101 101 LYS N N 15 . 1 1 101 101 LYS H H 1 0.5374 0.0133 . . . . . . . . . . 27245 2 88 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.5034 0.0146 . . . . . . . . . . 27245 2 89 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.4381 0.0104 . . . . . . . . . . 27245 2 90 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.3900 0.0137 . . . . . . . . . . 27245 2 91 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.3823 0.0110 . . . . . . . . . . 27245 2 92 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.3683 0.0150 . . . . . . . . . . 27245 2 93 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.3602 0.0126 . . . . . . . . . . 27245 2 94 . 1 1 111 111 ASP N N 15 . 1 1 111 111 ASP H H 1 0.3308 0.0109 . . . . . . . . . . 27245 2 95 . 1 1 114 114 GLU N N 15 . 1 1 114 114 GLU H H 1 0.3883 0.0105 . . . . . . . . . . 27245 2 96 . 1 1 115 115 PHE N N 15 . 1 1 115 115 PHE H H 1 0.3936 0.0156 . . . . . . . . . . 27245 2 97 . 1 1 116 116 GLU N N 15 . 1 1 116 116 GLU H H 1 0.4350 0.0156 . . . . . . . . . . 27245 2 98 . 1 1 117 117 GLU N N 15 . 1 1 117 117 GLU H H 1 0.4098 0.0156 . . . . . . . . . . 27245 2 99 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.3990 0.0153 . . . . . . . . . . 27245 2 100 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.4083 0.0159 . . . . . . . . . . 27245 2 101 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.4203 0.0148 . . . . . . . . . . 27245 2 102 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.3975 0.0155 . . . . . . . . . . 27245 2 103 . 1 1 122 122 ASP N N 15 . 1 1 122 122 ASP H H 1 0.4011 0.0152 . . . . . . . . . . 27245 2 104 . 1 1 124 124 ASP N N 15 . 1 1 124 124 ASP H H 1 0.3317 0.0204 . . . . . . . . . . 27245 2 105 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.3001 0.0106 . . . . . . . . . . 27245 2 106 . 1 1 127 127 GLU N N 15 . 1 1 127 127 GLU H H 1 0.2670 0.0115 . . . . . . . . . . 27245 2 107 . 1 1 128 128 VAL N N 15 . 1 1 128 128 VAL H H 1 0.2370 0.0138 . . . . . . . . . . 27245 2 108 . 1 1 129 129 GLU N N 15 . 1 1 129 129 GLU H H 1 0.1725 0.0107 . . . . . . . . . . 27245 2 109 . 1 1 131 131 GLU N N 15 . 1 1 131 131 GLU H H 1 0.1693 0.0127 . . . . . . . . . . 27245 2 110 . 1 1 133 133 ASP N N 15 . 1 1 133 133 ASP H H 1 0.1270 0.0078 . . . . . . . . . . 27245 2 111 . 1 1 134 134 LEU N N 15 . 1 1 134 134 LEU H H 1 0.1399 0.0110 . . . . . . . . . . 27245 2 112 . 1 1 135 135 GLU N N 15 . 1 1 135 135 GLU H H 1 0.1621 0.0152 . . . . . . . . . . 27245 2 113 . 1 1 136 136 ALA N N 15 . 1 1 136 136 ALA H H 1 0.1412 0.0166 . . . . . . . . . . 27245 2 114 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.0824 0.0125 . . . . . . . . . . 27245 2 115 . 1 1 138 138 ASP N N 15 . 1 1 138 138 ASP H H 1 0.1214 0.0172 . . . . . . . . . . 27245 2 116 . 1 1 139 139 PHE N N 15 . 1 1 139 139 PHE H H 1 0.1340 0.0128 . . . . . . . . . . 27245 2 117 . 1 1 140 140 ASP N N 15 . 1 1 140 140 ASP H H 1 0.1835 0.0152 . . . . . . . . . . 27245 2 118 . 1 1 141 141 GLU N N 15 . 1 1 141 141 GLU H H 1 0.0871 0.0157 . . . . . . . . . . 27245 2 119 . 1 1 142 142 GLU N N 15 . 1 1 142 142 GLU H H 1 0.1951 0.0154 . . . . . . . . . . 27245 2 120 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 0.0699 0.0161 . . . . . . . . . . 27245 2 121 . 1 1 145 145 ASP N N 15 . 1 1 145 145 ASP H H 1 0.1305 0.0190 . . . . . . . . . . 27245 2 122 . 1 1 146 146 GLU N N 15 . 1 1 146 146 GLU H H 1 0.1143 0.0314 . . . . . . . . . . 27245 2 123 . 1 1 149 149 ASP N N 15 . 1 1 149 149 ASP H H 1 0.0719 0.0254 . . . . . . . . . . 27245 2 124 . 1 1 152 152 GLU N N 15 . 1 1 152 152 GLU H H 1 0.0582 0.0167 . . . . . . . . . . 27245 2 125 . 1 1 153 153 ILE N N 15 . 1 1 153 153 ILE H H 1 0.0583 0.0119 . . . . . . . . . . 27245 2 126 . 1 1 154 154 GLU N N 15 . 1 1 154 154 GLU H H 1 0.0457 0.0077 . . . . . . . . . . 27245 2 127 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.0821 0.0092 . . . . . . . . . . 27245 2 128 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.1403 0.0079 . . . . . . . . . . 27245 2 129 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.0641 0.0092 . . . . . . . . . . 27245 2 130 . 1 1 158 158 ILE N N 15 . 1 1 158 158 ILE H H 1 0.0287 0.0089 . . . . . . . . . . 27245 2 131 . 1 1 159 159 ASP N N 15 . 1 1 159 159 ASP H H 1 0.1420 0.0171 . . . . . . . . . . 27245 2 132 . 1 1 160 160 GLU N N 15 . 1 1 160 160 GLU H H 1 0.2100 0.0146 . . . . . . . . . . 27245 2 133 . 1 1 161 161 ASP N N 15 . 1 1 161 161 ASP H H 1 0.1300 0.0171 . . . . . . . . . . 27245 2 134 . 1 1 162 162 ASP N N 15 . 1 1 162 162 ASP H H 1 0.1588 0.0203 . . . . . . . . . . 27245 2 135 . 1 1 164 164 ASP N N 15 . 1 1 164 164 ASP H H 1 0.1712 0.0250 . . . . . . . . . . 27245 2 136 . 1 1 165 165 TYR N N 15 . 1 1 165 165 TYR H H 1 0.2245 0.0176 . . . . . . . . . . 27245 2 137 . 1 1 166 166 ASP N N 15 . 1 1 166 166 ASP H H 1 0.2763 0.0181 . . . . . . . . . . 27245 2 138 . 1 1 167 167 ASP N N 15 . 1 1 167 167 ASP H H 1 0.1643 0.0134 . . . . . . . . . . 27245 2 139 . 1 1 169 169 GLU N N 15 . 1 1 169 169 GLU H H 1 0.1780 0.0100 . . . . . . . . . . 27245 2 140 . 1 1 170 170 GLU N N 15 . 1 1 170 170 GLU H H 1 0.0647 0.0067 . . . . . . . . . . 27245 2 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 27245 _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 600 _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 '3D NUS HNCO R1' . . . 27245 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 3 3 ILE N N 15 1.4935 0.0674 . . . . . 27245 1 2 . 1 1 4 4 LYS N N 15 1.4001 0.0139 . . . . . 27245 1 3 . 1 1 5 5 GLN N N 15 1.4498 0.013 . . . . . 27245 1 4 . 1 1 6 6 TYR N N 15 1.4781 0.0134 . . . . . 27245 1 5 . 1 1 7 7 SER N N 15 1.5576 0.0273 . . . . . 27245 1 6 . 1 1 8 8 GLN N N 15 1.6042 0.0102 . . . . . 27245 1 7 . 1 1 9 9 GLU N N 15 1.5468 0.02 . . . . . 27245 1 8 . 1 1 10 10 GLU N N 15 1.5626 0.0261 . . . . . 27245 1 9 . 1 1 11 11 LEU N N 15 1.5721 0.0179 . . . . . 27245 1 10 . 1 1 12 12 LYS N N 15 1.5012 0.0209 . . . . . 27245 1 11 . 1 1 13 13 GLU N N 15 1.594 0.0171 . . . . . 27245 1 12 . 1 1 14 14 MET N N 15 1.4529 0.0127 . . . . . 27245 1 13 . 1 1 15 15 ALA N N 15 1.5014 0.0096 . . . . . 27245 1 14 . 1 1 16 16 LEU N N 15 1.6405 0.0425 . . . . . 27245 1 15 . 1 1 17 17 VAL N N 15 1.5866 0.041 . . . . . 27245 1 16 . 1 1 18 18 GLU N N 15 1.5144 0.03 . . . . . 27245 1 17 . 1 1 19 19 ILE N N 15 1.6328 0.0468 . . . . . 27245 1 18 . 1 1 20 20 ALA N N 15 1.6262 0.0097 . . . . . 27245 1 19 . 1 1 21 21 HIS N N 15 1.5742 0.026 . . . . . 27245 1 20 . 1 1 23 23 LEU N N 15 1.6695 0.0202 . . . . . 27245 1 21 . 1 1 24 24 PHE N N 15 1.688 0.0506 . . . . . 27245 1 22 . 1 1 25 25 GLU N N 15 1.5174 0.0442 . . . . . 27245 1 23 . 1 1 26 26 GLU N N 15 1.5377 0.0194 . . . . . 27245 1 24 . 1 1 27 27 HIS N N 15 1.6121 0.0361 . . . . . 27245 1 25 . 1 1 29 29 LYS N N 15 1.3402 0.0197 . . . . . 27245 1 26 . 1 1 31 31 VAL N N 15 1.6709 0.0617 . . . . . 27245 1 27 . 1 1 33 33 PHE N N 15 1.4027 0.038 . . . . . 27245 1 28 . 1 1 34 34 GLN N N 15 1.4704 0.0237 . . . . . 27245 1 29 . 1 1 35 35 GLU N N 15 1.2805 0.026 . . . . . 27245 1 30 . 1 1 36 36 LEU N N 15 1.4906 0.038 . . . . . 27245 1 31 . 1 1 37 37 LEU N N 15 1.5027 0.0225 . . . . . 27245 1 32 . 1 1 38 38 ASN N N 15 1.3747 0.0195 . . . . . 27245 1 33 . 1 1 39 39 GLU N N 15 1.4209 0.0397 . . . . . 27245 1 34 . 1 1 40 40 ILE N N 15 1.4769 0.0283 . . . . . 27245 1 35 . 1 1 41 41 ALA N N 15 1.4893 0.0133 . . . . . 27245 1 36 . 1 1 42 42 SER N N 15 1.3807 0.0281 . . . . . 27245 1 37 . 1 1 43 43 LEU N N 15 1.4651 0.0199 . . . . . 27245 1 38 . 1 1 44 44 LEU N N 15 1.4917 0.0248 . . . . . 27245 1 39 . 1 1 45 45 GLY N N 15 1.3179 0.026 . . . . . 27245 1 40 . 1 1 46 46 VAL N N 15 1.2945 0.0275 . . . . . 27245 1 41 . 1 1 47 47 LYS N N 15 1.3729 0.0131 . . . . . 27245 1 42 . 1 1 48 48 LYS N N 15 1.6154 0.0218 . . . . . 27245 1 43 . 1 1 49 49 GLU N N 15 1.6141 0.0166 . . . . . 27245 1 44 . 1 1 50 50 GLU N N 15 1.6213 0.0216 . . . . . 27245 1 45 . 1 1 51 51 LEU N N 15 1.547 0.0232 . . . . . 27245 1 46 . 1 1 52 52 GLY N N 15 1.618 0.029 . . . . . 27245 1 47 . 1 1 53 53 ASP N N 15 1.6613 0.0572 . . . . . 27245 1 48 . 1 1 54 54 ARG N N 15 1.6216 0.0301 . . . . . 27245 1 49 . 1 1 55 55 ILE N N 15 1.4594 0.0096 . . . . . 27245 1 50 . 1 1 56 56 ALA N N 15 1.331 0.02 . . . . . 27245 1 51 . 1 1 57 57 GLN N N 15 1.322 0.0249 . . . . . 27245 1 52 . 1 1 58 58 PHE N N 15 1.4854 0.0343 . . . . . 27245 1 53 . 1 1 59 59 TYR N N 15 1.3777 0.0314 . . . . . 27245 1 54 . 1 1 60 60 THR N N 15 1.3209 0.0323 . . . . . 27245 1 55 . 1 1 61 61 ASP N N 15 1.3275 0.0238 . . . . . 27245 1 56 . 1 1 62 62 LEU N N 15 1.5395 0.0517 . . . . . 27245 1 57 . 1 1 67 67 ARG N N 15 1.3832 0.1105 . . . . . 27245 1 58 . 1 1 68 68 PHE N N 15 1.6539 0.0175 . . . . . 27245 1 59 . 1 1 69 69 LEU N N 15 1.5871 0.0321 . . . . . 27245 1 60 . 1 1 70 70 ALA N N 15 1.5464 0.0164 . . . . . 27245 1 61 . 1 1 71 71 LEU N N 15 1.2752 0.0374 . . . . . 27245 1 62 . 1 1 72 72 SER N N 15 1.4255 0.0445 . . . . . 27245 1 63 . 1 1 73 73 ASP N N 15 1.6483 0.0474 . . . . . 27245 1 64 . 1 1 74 74 GLN N N 15 1.3904 0.014 . . . . . 27245 1 65 . 1 1 75 75 THR N N 15 1.1711 0.0366 . . . . . 27245 1 66 . 1 1 76 76 TRP N N 15 1.2285 0.1478 . . . . . 27245 1 67 . 1 1 77 77 GLY N N 15 1.5847 0.0217 . . . . . 27245 1 68 . 1 1 79 79 ARG N N 15 1.4489 0.0532 . . . . . 27245 1 69 . 1 1 80 80 SER N N 15 1.398 0.0475 . . . . . 27245 1 70 . 1 1 81 81 TRP N N 15 1.5681 0.0245 . . . . . 27245 1 71 . 1 1 82 82 TYR N N 15 1.5298 0.026 . . . . . 27245 1 72 . 1 1 84 84 TYR N N 15 1.544 0.0094 . . . . . 27245 1 73 . 1 1 85 85 ASP N N 15 1.5552 0.0091 . . . . . 27245 1 74 . 1 1 86 86 GLN N N 15 1.4913 0.0099 . . . . . 27245 1 75 . 1 1 87 87 LEU N N 15 1.4913 0.0058 . . . . . 27245 1 76 . 1 1 88 88 ASP N N 15 1.4733 0.0037 . . . . . 27245 1 77 . 1 1 90 90 GLU N N 15 1.4798 0.005 . . . . . 27245 1 78 . 1 1 91 91 THR N N 15 1.4235 0.0091 . . . . . 27245 1 79 . 1 1 92 92 GLN N N 15 1.4299 0.0099 . . . . . 27245 1 80 . 1 1 94 94 THR N N 15 1.4105 0.017 . . . . . 27245 1 81 . 1 1 95 95 VAL N N 15 1.4272 0.0069 . . . . . 27245 1 82 . 1 1 96 96 LYS N N 15 1.4841 0.0063 . . . . . 27245 1 83 . 1 1 97 97 ALA N N 15 1.5137 0.0146 . . . . . 27245 1 84 . 1 1 98 98 LYS N N 15 1.528 0.0137 . . . . . 27245 1 85 . 1 1 99 99 LYS N N 15 1.6562 0.0153 . . . . . 27245 1 86 . 1 1 102 102 ALA N N 15 1.6895 0.0136 . . . . . 27245 1 87 . 1 1 103 103 LYS N N 15 1.6085 0.014 . . . . . 27245 1 88 . 1 1 104 104 LYS N N 15 1.6424 0.0123 . . . . . 27245 1 89 . 1 1 105 105 ALA N N 15 1.6185 0.0162 . . . . . 27245 1 90 . 1 1 106 106 VAL N N 15 1.5068 0.0044 . . . . . 27245 1 91 . 1 1 108 108 GLU N N 15 1.5844 0.0046 . . . . . 27245 1 92 . 1 1 110 110 LEU N N 15 1.5621 0.0069 . . . . . 27245 1 93 . 1 1 111 111 ASP N N 15 1.6177 0.0043 . . . . . 27245 1 94 . 1 1 113 113 ASP N N 15 1.5427 0.002 . . . . . 27245 1 95 . 1 1 114 114 GLU N N 15 1.6056 0.0033 . . . . . 27245 1 96 . 1 1 115 115 PHE N N 15 1.6152 0.0056 . . . . . 27245 1 97 . 1 1 116 116 GLU N N 15 1.6451 0.0073 . . . . . 27245 1 98 . 1 1 117 117 GLU N N 15 1.6092 0.0087 . . . . . 27245 1 99 . 1 1 118 118 ILE N N 15 1.5735 0.0076 . . . . . 27245 1 100 . 1 1 119 119 ASP N N 15 1.6412 0.0086 . . . . . 27245 1 101 . 1 1 120 120 GLU N N 15 1.5619 0.003 . . . . . 27245 1 102 . 1 1 121 121 ASP N N 15 1.6232 0.0035 . . . . . 27245 1 103 . 1 1 122 122 ASP N N 15 1.5931 0.0032 . . . . . 27245 1 104 . 1 1 123 123 LEU N N 15 1.5654 0.0029 . . . . . 27245 1 105 . 1 1 124 124 ASP N N 15 1.5868 0.0064 . . . . . 27245 1 106 . 1 1 125 125 LEU N N 15 1.4948 0.005 . . . . . 27245 1 107 . 1 1 127 127 GLU N N 15 1.4576 0.0032 . . . . . 27245 1 108 . 1 1 128 128 VAL N N 15 1.4063 0.0045 . . . . . 27245 1 109 . 1 1 129 129 GLU N N 15 1.4254 0.0038 . . . . . 27245 1 110 . 1 1 131 131 GLU N N 15 1.4146 0.0037 . . . . . 27245 1 111 . 1 1 133 133 ASP N N 15 1.3944 0.0056 . . . . . 27245 1 112 . 1 1 134 134 LEU N N 15 1.3306 0.0024 . . . . . 27245 1 113 . 1 1 135 135 GLU N N 15 1.3934 0.0024 . . . . . 27245 1 114 . 1 1 136 136 ALA N N 15 1.3095 0.004 . . . . . 27245 1 115 . 1 1 137 137 ASP N N 15 1.2866 0.0025 . . . . . 27245 1 116 . 1 1 138 138 ASP N N 15 1.3517 0.0037 . . . . . 27245 1 117 . 1 1 139 139 PHE N N 15 1.3515 0.005 . . . . . 27245 1 118 . 1 1 140 140 ASP N N 15 1.4176 0.0059 . . . . . 27245 1 119 . 1 1 141 141 GLU N N 15 1.3789 0.007 . . . . . 27245 1 120 . 1 1 142 142 GLU N N 15 1.4167 0.0024 . . . . . 27245 1 121 . 1 1 143 143 ASP N N 15 1.4104 0.0089 . . . . . 27245 1 122 . 1 1 144 144 LEU N N 15 1.3361 0.003 . . . . . 27245 1 123 . 1 1 145 145 ASP N N 15 1.4186 0.0037 . . . . . 27245 1 124 . 1 1 147 147 ASP N N 15 1.413 0.0072 . . . . . 27245 1 125 . 1 1 148 148 ASP N N 15 1.3876 0.0073 . . . . . 27245 1 126 . 1 1 149 149 ASP N N 15 1.4302 0.0073 . . . . . 27245 1 127 . 1 1 152 152 GLU N N 15 1.3605 0.0028 . . . . . 27245 1 128 . 1 1 153 153 ILE N N 15 1.2865 0.0048 . . . . . 27245 1 129 . 1 1 154 154 GLU N N 15 1.3512 0.0035 . . . . . 27245 1 130 . 1 1 155 155 GLU N N 15 1.3012 0.0033 . . . . . 27245 1 131 . 1 1 156 156 ASP N N 15 1.3248 0.0016 . . . . . 27245 1 132 . 1 1 157 157 ILE N N 15 1.2966 0.0044 . . . . . 27245 1 133 . 1 1 158 158 ILE N N 15 1.3483 0.0023 . . . . . 27245 1 134 . 1 1 159 159 ASP N N 15 1.3723 0.0022 . . . . . 27245 1 135 . 1 1 160 160 GLU N N 15 1.348 0.0054 . . . . . 27245 1 136 . 1 1 161 161 ASP N N 15 1.4267 0.004 . . . . . 27245 1 137 . 1 1 163 163 GLU N N 15 1.4307 0.0028 . . . . . 27245 1 138 . 1 1 164 164 ASP N N 15 1.3862 0.0029 . . . . . 27245 1 139 . 1 1 165 165 TYR N N 15 1.3921 0.003 . . . . . 27245 1 140 . 1 1 166 166 ASP N N 15 1.4921 0.0026 . . . . . 27245 1 141 . 1 1 167 167 ASP N N 15 1.4247 0.0034 . . . . . 27245 1 142 . 1 1 169 169 GLU N N 15 1.399 0.0036 . . . . . 27245 1 143 . 1 1 170 170 GLU N N 15 1.3154 0.003 . . . . . 27245 1 144 . 1 1 173 173 LYS N N 15 0.9955 0.002 . . . . . 27245 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 27245 _Heteronucl_T1_list.ID 2 _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 850 _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 6 '3D NUS HNCO R1' . . . 27245 2 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 3 3 ILE N N 15 1.2174 0.0628 . . . . . 27245 2 2 . 1 1 4 4 LYS N N 15 1.1373 0.0333 . . . . . 27245 2 3 . 1 1 5 5 GLN N N 15 1.1732 0.0226 . . . . . 27245 2 4 . 1 1 6 6 TYR N N 15 1.1269 0.0341 . . . . . 27245 2 5 . 1 1 7 7 SER N N 15 1.1662 0.0326 . . . . . 27245 2 6 . 1 1 8 8 GLN N N 15 1.2047 0.0282 . . . . . 27245 2 7 . 1 1 9 9 GLU N N 15 1.1572 0.0280 . . . . . 27245 2 8 . 1 1 10 10 GLU N N 15 1.1531 0.0311 . . . . . 27245 2 9 . 1 1 11 11 LEU N N 15 1.0587 0.0338 . . . . . 27245 2 10 . 1 1 12 12 LYS N N 15 1.1251 0.0328 . . . . . 27245 2 11 . 1 1 13 13 GLU N N 15 1.1669 0.0380 . . . . . 27245 2 12 . 1 1 14 14 MET N N 15 1.0231 0.0188 . . . . . 27245 2 13 . 1 1 15 15 ALA N N 15 1.1080 0.0445 . . . . . 27245 2 14 . 1 1 16 16 LEU N N 15 1.1719 0.0581 . . . . . 27245 2 15 . 1 1 17 17 VAL N N 15 1.3209 0.1317 . . . . . 27245 2 16 . 1 1 18 18 GLU N N 15 1.0853 0.0372 . . . . . 27245 2 17 . 1 1 19 19 ILE N N 15 1.1288 0.0552 . . . . . 27245 2 18 . 1 1 20 20 ALA N N 15 1.1844 0.0315 . . . . . 27245 2 19 . 1 1 21 21 HIS N N 15 1.0857 0.0575 . . . . . 27245 2 20 . 1 1 22 22 GLU N N 15 1.0879 0.0492 . . . . . 27245 2 21 . 1 1 23 23 LEU N N 15 1.1760 0.0331 . . . . . 27245 2 22 . 1 1 24 24 PHE N N 15 1.2371 0.0598 . . . . . 27245 2 23 . 1 1 25 25 GLU N N 15 1.1634 0.0274 . . . . . 27245 2 24 . 1 1 26 26 GLU N N 15 1.0868 0.0254 . . . . . 27245 2 25 . 1 1 27 27 HIS N N 15 1.1206 0.0426 . . . . . 27245 2 26 . 1 1 28 28 LYS N N 15 1.4063 0.1567 . . . . . 27245 2 27 . 1 1 29 29 LYS N N 15 0.9641 0.0458 . . . . . 27245 2 28 . 1 1 31 31 VAL N N 15 0.9729 0.0536 . . . . . 27245 2 29 . 1 1 33 33 PHE N N 15 1.1328 0.0592 . . . . . 27245 2 30 . 1 1 34 34 GLN N N 15 1.0922 0.0408 . . . . . 27245 2 31 . 1 1 35 35 GLU N N 15 0.9281 0.0393 . . . . . 27245 2 32 . 1 1 36 36 LEU N N 15 1.1544 0.0372 . . . . . 27245 2 33 . 1 1 37 37 LEU N N 15 1.0863 0.0348 . . . . . 27245 2 34 . 1 1 38 38 ASN N N 15 0.9855 0.0373 . . . . . 27245 2 35 . 1 1 39 39 GLU N N 15 1.0165 0.0736 . . . . . 27245 2 36 . 1 1 40 40 ILE N N 15 1.1559 0.0635 . . . . . 27245 2 37 . 1 1 41 41 ALA N N 15 1.0888 0.0289 . . . . . 27245 2 38 . 1 1 42 42 SER N N 15 0.9585 0.0409 . . . . . 27245 2 39 . 1 1 43 43 LEU N N 15 1.0867 0.0335 . . . . . 27245 2 40 . 1 1 44 44 LEU N N 15 1.0449 0.0374 . . . . . 27245 2 41 . 1 1 45 45 GLY N N 15 0.9500 0.0218 . . . . . 27245 2 42 . 1 1 46 46 VAL N N 15 0.9846 0.0358 . . . . . 27245 2 43 . 1 1 47 47 LYS N N 15 1.0013 0.0262 . . . . . 27245 2 44 . 1 1 48 48 LYS N N 15 1.2029 0.0140 . . . . . 27245 2 45 . 1 1 49 49 GLU N N 15 1.1840 0.0279 . . . . . 27245 2 46 . 1 1 50 50 GLU N N 15 1.1736 0.0384 . . . . . 27245 2 47 . 1 1 51 51 LEU N N 15 1.1599 0.0254 . . . . . 27245 2 48 . 1 1 52 52 GLY N N 15 1.2408 0.0320 . . . . . 27245 2 49 . 1 1 53 53 ASP N N 15 1.4267 0.0581 . . . . . 27245 2 50 . 1 1 54 54 ARG N N 15 1.2368 0.0181 . . . . . 27245 2 51 . 1 1 55 55 ILE N N 15 1.0291 0.0319 . . . . . 27245 2 52 . 1 1 56 56 ALA N N 15 0.9300 0.0419 . . . . . 27245 2 53 . 1 1 57 57 GLN N N 15 0.9377 0.0622 . . . . . 27245 2 54 . 1 1 58 58 PHE N N 15 1.1097 0.0296 . . . . . 27245 2 55 . 1 1 59 59 TYR N N 15 1.0025 0.0539 . . . . . 27245 2 56 . 1 1 60 60 THR N N 15 0.9777 0.0413 . . . . . 27245 2 57 . 1 1 61 61 ASP N N 15 1.0339 0.0503 . . . . . 27245 2 58 . 1 1 62 62 LEU N N 15 1.0808 0.0561 . . . . . 27245 2 59 . 1 1 65 65 ASP N N 15 1.1985 0.0240 . . . . . 27245 2 60 . 1 1 67 67 ARG N N 15 1.2243 0.1278 . . . . . 27245 2 61 . 1 1 68 68 PHE N N 15 1.0710 0.1250 . . . . . 27245 2 62 . 1 1 69 69 LEU N N 15 1.1666 0.0565 . . . . . 27245 2 63 . 1 1 70 70 ALA N N 15 1.1185 0.0446 . . . . . 27245 2 64 . 1 1 71 71 LEU N N 15 0.9014 0.0798 . . . . . 27245 2 65 . 1 1 72 72 SER N N 15 1.1090 0.0728 . . . . . 27245 2 66 . 1 1 73 73 ASP N N 15 1.3170 0.1027 . . . . . 27245 2 67 . 1 1 74 74 GLN N N 15 1.0479 0.0494 . . . . . 27245 2 68 . 1 1 75 75 THR N N 15 0.9091 0.0514 . . . . . 27245 2 69 . 1 1 76 76 TRP N N 15 0.9672 0.0751 . . . . . 27245 2 70 . 1 1 77 77 GLY N N 15 1.1720 0.1323 . . . . . 27245 2 71 . 1 1 79 79 ARG N N 15 1.0115 0.0810 . . . . . 27245 2 72 . 1 1 80 80 SER N N 15 1.2096 0.0448 . . . . . 27245 2 73 . 1 1 81 81 TRP N N 15 1.1002 0.0459 . . . . . 27245 2 74 . 1 1 82 82 TYR N N 15 1.0801 0.0425 . . . . . 27245 2 75 . 1 1 84 84 TYR N N 15 1.2457 0.0415 . . . . . 27245 2 76 . 1 1 85 85 ASP N N 15 1.3202 0.0203 . . . . . 27245 2 77 . 1 1 86 86 GLN N N 15 1.3151 0.0205 . . . . . 27245 2 78 . 1 1 87 87 LEU N N 15 1.3368 0.0225 . . . . . 27245 2 79 . 1 1 88 88 ASP N N 15 1.3306 0.0176 . . . . . 27245 2 80 . 1 1 90 90 GLU N N 15 1.3814 0.0177 . . . . . 27245 2 81 . 1 1 91 91 THR N N 15 1.3114 0.0211 . . . . . 27245 2 82 . 1 1 92 92 GLN N N 15 1.3323 0.0253 . . . . . 27245 2 83 . 1 1 95 95 VAL N N 15 1.3271 0.0194 . . . . . 27245 2 84 . 1 1 96 96 LYS N N 15 1.3496 0.0256 . . . . . 27245 2 85 . 1 1 97 97 ALA N N 15 1.3789 0.0407 . . . . . 27245 2 86 . 1 1 98 98 LYS N N 15 1.3888 0.0163 . . . . . 27245 2 87 . 1 1 100 100 LYS N N 15 1.4632 0.0168 . . . . . 27245 2 88 . 1 1 101 101 LYS N N 15 1.4832 0.0161 . . . . . 27245 2 89 . 1 1 102 102 ALA N N 15 1.5246 0.0281 . . . . . 27245 2 90 . 1 1 103 103 LYS N N 15 1.3959 0.0228 . . . . . 27245 2 91 . 1 1 105 105 ALA N N 15 1.4811 0.0254 . . . . . 27245 2 92 . 1 1 106 106 VAL N N 15 1.3609 0.0165 . . . . . 27245 2 93 . 1 1 107 107 GLU N N 15 1.4742 0.0235 . . . . . 27245 2 94 . 1 1 108 108 GLU N N 15 1.4621 0.0234 . . . . . 27245 2 95 . 1 1 111 111 ASP N N 15 1.5011 0.0190 . . . . . 27245 2 96 . 1 1 114 114 GLU N N 15 1.4428 0.0194 . . . . . 27245 2 97 . 1 1 115 115 PHE N N 15 1.4887 0.0287 . . . . . 27245 2 98 . 1 1 116 116 GLU N N 15 1.4870 0.0152 . . . . . 27245 2 99 . 1 1 117 117 GLU N N 15 1.4449 0.0107 . . . . . 27245 2 100 . 1 1 118 118 ILE N N 15 1.4033 0.0127 . . . . . 27245 2 101 . 1 1 119 119 ASP N N 15 1.4616 0.0255 . . . . . 27245 2 102 . 1 1 120 120 GLU N N 15 1.4083 0.0139 . . . . . 27245 2 103 . 1 1 121 121 ASP N N 15 1.4867 0.0186 . . . . . 27245 2 104 . 1 1 122 122 ASP N N 15 1.4726 0.0315 . . . . . 27245 2 105 . 1 1 124 124 ASP N N 15 1.4578 0.0355 . . . . . 27245 2 106 . 1 1 125 125 LEU N N 15 1.3315 0.0139 . . . . . 27245 2 107 . 1 1 127 127 GLU N N 15 1.3368 0.0157 . . . . . 27245 2 108 . 1 1 128 128 VAL N N 15 1.3254 0.0228 . . . . . 27245 2 109 . 1 1 129 129 GLU N N 15 1.3425 0.0212 . . . . . 27245 2 110 . 1 1 131 131 GLU N N 15 1.3286 0.0151 . . . . . 27245 2 111 . 1 1 133 133 ASP N N 15 1.3265 0.0156 . . . . . 27245 2 112 . 1 1 134 134 LEU N N 15 1.2665 0.0218 . . . . . 27245 2 113 . 1 1 135 135 GLU N N 15 1.3180 0.0218 . . . . . 27245 2 114 . 1 1 136 136 ALA N N 15 1.2693 0.0134 . . . . . 27245 2 115 . 1 1 137 137 ASP N N 15 1.2751 0.0398 . . . . . 27245 2 116 . 1 1 138 138 ASP N N 15 1.3068 0.0213 . . . . . 27245 2 117 . 1 1 139 139 PHE N N 15 1.3031 0.0177 . . . . . 27245 2 118 . 1 1 140 140 ASP N N 15 1.3545 0.0080 . . . . . 27245 2 119 . 1 1 141 141 GLU N N 15 1.3095 0.0205 . . . . . 27245 2 120 . 1 1 142 142 GLU N N 15 1.3541 0.0221 . . . . . 27245 2 121 . 1 1 144 144 LEU N N 15 1.2920 0.0124 . . . . . 27245 2 122 . 1 1 145 145 ASP N N 15 1.3579 0.0292 . . . . . 27245 2 123 . 1 1 146 146 GLU N N 15 1.2886 0.0197 . . . . . 27245 2 124 . 1 1 149 149 ASP N N 15 1.4120 0.0395 . . . . . 27245 2 125 . 1 1 152 152 GLU N N 15 1.3147 0.0252 . . . . . 27245 2 126 . 1 1 153 153 ILE N N 15 1.2574 0.0227 . . . . . 27245 2 127 . 1 1 154 154 GLU N N 15 1.3201 0.0177 . . . . . 27245 2 128 . 1 1 155 155 GLU N N 15 1.2692 0.0190 . . . . . 27245 2 129 . 1 1 156 156 ASP N N 15 1.3030 0.0203 . . . . . 27245 2 130 . 1 1 157 157 ILE N N 15 1.2351 0.0134 . . . . . 27245 2 131 . 1 1 158 158 ILE N N 15 1.3160 0.0242 . . . . . 27245 2 132 . 1 1 159 159 ASP N N 15 1.3556 0.0197 . . . . . 27245 2 133 . 1 1 160 160 GLU N N 15 1.2979 0.0341 . . . . . 27245 2 134 . 1 1 161 161 ASP N N 15 1.3848 0.0137 . . . . . 27245 2 135 . 1 1 162 162 ASP N N 15 1.3568 0.0254 . . . . . 27245 2 136 . 1 1 164 164 ASP N N 15 1.4354 0.0345 . . . . . 27245 2 137 . 1 1 165 165 TYR N N 15 1.3926 0.0233 . . . . . 27245 2 138 . 1 1 166 166 ASP N N 15 1.4618 0.0264 . . . . . 27245 2 139 . 1 1 167 167 ASP N N 15 1.4077 0.0169 . . . . . 27245 2 140 . 1 1 169 169 GLU N N 15 1.4003 0.0194 . . . . . 27245 2 141 . 1 1 170 170 GLU N N 15 1.3138 0.0123 . . . . . 27245 2 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 27245 _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 600 _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 '3D NUS HNCO R2' . . . 27245 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 3 3 ILE N N 15 8.5762 0.2006 . . . . . . . 27245 1 2 . 1 1 4 4 LYS N N 15 12.2804 0.1780 . . . . . . . 27245 1 3 . 1 1 5 5 GLN N N 15 11.6841 0.1734 . . . . . . . 27245 1 4 . 1 1 6 6 TYR N N 15 9.9132 0.1215 . . . . . . . 27245 1 5 . 1 1 7 7 SER N N 15 9.8220 0.0895 . . . . . . . 27245 1 6 . 1 1 8 8 GLN N N 15 10.8731 0.2052 . . . . . . . 27245 1 7 . 1 1 9 9 GLU N N 15 9.9184 0.1306 . . . . . . . 27245 1 8 . 1 1 10 10 GLU N N 15 10.0959 0.1767 . . . . . . . 27245 1 9 . 1 1 11 11 LEU N N 15 11.0038 0.2166 . . . . . . . 27245 1 10 . 1 1 12 12 LYS N N 15 11.5879 0.2376 . . . . . . . 27245 1 11 . 1 1 13 13 GLU N N 15 9.8910 0.0993 . . . . . . . 27245 1 12 . 1 1 14 14 MET N N 15 10.7543 0.1703 . . . . . . . 27245 1 13 . 1 1 15 15 ALA N N 15 10.7104 0.2072 . . . . . . . 27245 1 14 . 1 1 16 16 LEU N N 15 11.8402 0.4480 . . . . . . . 27245 1 15 . 1 1 17 17 VAL N N 15 15.5171 1.7342 . . . . . . . 27245 1 16 . 1 1 18 18 GLU N N 15 13.9403 0.6150 . . . . . . . 27245 1 17 . 1 1 19 19 ILE N N 15 12.1061 0.4320 . . . . . . . 27245 1 18 . 1 1 20 20 ALA N N 15 11.4172 0.2474 . . . . . . . 27245 1 19 . 1 1 21 21 HIS N N 15 11.6638 0.5179 . . . . . . . 27245 1 20 . 1 1 23 23 LEU N N 15 11.4317 0.2722 . . . . . . . 27245 1 21 . 1 1 24 24 PHE N N 15 12.0051 0.3870 . . . . . . . 27245 1 22 . 1 1 25 25 GLU N N 15 12.4020 0.3093 . . . . . . . 27245 1 23 . 1 1 26 26 GLU N N 15 11.7035 0.1108 . . . . . . . 27245 1 24 . 1 1 27 27 HIS N N 15 10.7516 0.5104 . . . . . . . 27245 1 25 . 1 1 29 29 LYS N N 15 14.6600 0.5273 . . . . . . . 27245 1 26 . 1 1 31 31 VAL N N 15 13.5989 0.5025 . . . . . . . 27245 1 27 . 1 1 33 33 PHE N N 15 14.0103 0.8429 . . . . . . . 27245 1 28 . 1 1 34 34 GLN N N 15 12.7370 0.2633 . . . . . . . 27245 1 29 . 1 1 35 35 GLU N N 15 13.9521 0.5009 . . . . . . . 27245 1 30 . 1 1 36 36 LEU N N 15 13.0736 0.5877 . . . . . . . 27245 1 31 . 1 1 37 37 LEU N N 15 12.4058 0.2538 . . . . . . . 27245 1 32 . 1 1 38 38 ASN N N 15 13.5400 0.3208 . . . . . . . 27245 1 33 . 1 1 39 39 GLU N N 15 13.6604 0.5162 . . . . . . . 27245 1 34 . 1 1 40 40 ILE N N 15 12.7241 0.4389 . . . . . . . 27245 1 35 . 1 1 41 41 ALA N N 15 12.9478 0.2204 . . . . . . . 27245 1 36 . 1 1 42 42 SER N N 15 13.1849 0.3307 . . . . . . . 27245 1 37 . 1 1 43 43 LEU N N 15 13.3187 0.2286 . . . . . . . 27245 1 38 . 1 1 44 44 LEU N N 15 11.7434 0.3733 . . . . . . . 27245 1 39 . 1 1 45 45 GLY N N 15 13.0066 0.3862 . . . . . . . 27245 1 40 . 1 1 46 46 VAL N N 15 13.9576 0.1618 . . . . . . . 27245 1 41 . 1 1 47 47 LYS N N 15 11.0204 0.2656 . . . . . . . 27245 1 42 . 1 1 48 48 LYS N N 15 9.9196 0.1520 . . . . . . . 27245 1 43 . 1 1 49 49 GLU N N 15 10.7191 0.1504 . . . . . . . 27245 1 44 . 1 1 50 50 GLU N N 15 10.7166 0.0714 . . . . . . . 27245 1 45 . 1 1 51 51 LEU N N 15 10.5722 0.1256 . . . . . . . 27245 1 46 . 1 1 52 52 GLY N N 15 8.2464 0.2005 . . . . . . . 27245 1 47 . 1 1 53 53 ASP N N 15 9.8292 0.2160 . . . . . . . 27245 1 48 . 1 1 54 54 ARG N N 15 10.4608 0.0904 . . . . . . . 27245 1 49 . 1 1 55 55 ILE N N 15 13.4252 0.1064 . . . . . . . 27245 1 50 . 1 1 56 56 ALA N N 15 14.2716 0.3067 . . . . . . . 27245 1 51 . 1 1 57 57 GLN N N 15 13.9274 0.3919 . . . . . . . 27245 1 52 . 1 1 58 58 PHE N N 15 13.6572 0.5834 . . . . . . . 27245 1 53 . 1 1 59 59 TYR N N 15 14.4312 0.4316 . . . . . . . 27245 1 54 . 1 1 60 60 THR N N 15 15.1149 0.8506 . . . . . . . 27245 1 55 . 1 1 61 61 ASP N N 15 15.5181 0.6375 . . . . . . . 27245 1 56 . 1 1 62 62 LEU N N 15 13.5579 1.0481 . . . . . . . 27245 1 57 . 1 1 67 67 ARG N N 15 13.2384 0.7916 . . . . . . . 27245 1 58 . 1 1 68 68 PHE N N 15 12.2856 0.5524 . . . . . . . 27245 1 59 . 1 1 69 69 LEU N N 15 12.6385 0.6697 . . . . . . . 27245 1 60 . 1 1 70 70 ALA N N 15 10.9046 0.3303 . . . . . . . 27245 1 61 . 1 1 71 71 LEU N N 15 14.2064 0.6174 . . . . . . . 27245 1 62 . 1 1 72 72 SER N N 15 10.9409 0.4245 . . . . . . . 27245 1 63 . 1 1 73 73 ASP N N 15 11.5013 0.2219 . . . . . . . 27245 1 64 . 1 1 74 74 GLN N N 15 15.2573 1.7807 . . . . . . . 27245 1 65 . 1 1 75 75 THR N N 15 14.1790 0.6222 . . . . . . . 27245 1 66 . 1 1 76 76 TRP N N 15 15.6621 1.7164 . . . . . . . 27245 1 67 . 1 1 77 77 GLY N N 15 10.5968 1.0706 . . . . . . . 27245 1 68 . 1 1 79 79 ARG N N 15 12.8770 0.5414 . . . . . . . 27245 1 69 . 1 1 80 80 SER N N 15 14.4242 0.7316 . . . . . . . 27245 1 70 . 1 1 81 81 TRP N N 15 12.1833 0.2094 . . . . . . . 27245 1 71 . 1 1 82 82 TYR N N 15 11.6648 0.2665 . . . . . . . 27245 1 72 . 1 1 84 84 TYR N N 15 6.6131 0.0558 . . . . . . . 27245 1 73 . 1 1 85 85 ASP N N 15 5.6787 0.0519 . . . . . . . 27245 1 74 . 1 1 86 86 GLN N N 15 4.7553 0.0663 . . . . . . . 27245 1 75 . 1 1 87 87 LEU N N 15 3.9457 0.0643 . . . . . . . 27245 1 76 . 1 1 88 88 ASP N N 15 3.8967 0.0623 . . . . . . . 27245 1 77 . 1 1 90 90 GLU N N 15 3.9354 0.0384 . . . . . . . 27245 1 78 . 1 1 91 91 THR N N 15 3.5010 0.0656 . . . . . . . 27245 1 79 . 1 1 92 92 GLN N N 15 3.8055 0.0610 . . . . . . . 27245 1 80 . 1 1 94 94 THR N N 15 3.9081 0.0571 . . . . . . . 27245 1 81 . 1 1 95 95 VAL N N 15 3.8206 0.0704 . . . . . . . 27245 1 82 . 1 1 96 96 LYS N N 15 4.5258 0.0572 . . . . . . . 27245 1 83 . 1 1 97 97 ALA N N 15 4.3904 0.0668 . . . . . . . 27245 1 84 . 1 1 98 98 LYS N N 15 4.7438 0.0457 . . . . . . . 27245 1 85 . 1 1 99 99 LYS N N 15 5.0313 0.0712 . . . . . . . 27245 1 86 . 1 1 102 102 ALA N N 15 4.6342 0.0974 . . . . . . . 27245 1 87 . 1 1 103 103 LYS N N 15 4.0951 0.0411 . . . . . . . 27245 1 88 . 1 1 104 104 LYS N N 15 4.3852 0.0534 . . . . . . . 27245 1 89 . 1 1 105 105 ALA N N 15 3.6850 0.0707 . . . . . . . 27245 1 90 . 1 1 106 106 VAL N N 15 3.7427 0.0397 . . . . . . . 27245 1 91 . 1 1 108 108 GLU N N 15 3.4979 0.0466 . . . . . . . 27245 1 92 . 1 1 110 110 LEU N N 15 3.3716 0.0875 . . . . . . . 27245 1 93 . 1 1 111 111 ASP N N 15 3.4465 0.0422 . . . . . . . 27245 1 94 . 1 1 113 113 ASP N N 15 3.6142 0.0553 . . . . . . . 27245 1 95 . 1 1 114 114 GLU N N 15 3.8551 0.0352 . . . . . . . 27245 1 96 . 1 1 115 115 PHE N N 15 3.6440 0.0497 . . . . . . . 27245 1 97 . 1 1 116 116 GLU N N 15 3.9055 0.0819 . . . . . . . 27245 1 98 . 1 1 117 117 GLU N N 15 3.8615 0.0580 . . . . . . . 27245 1 99 . 1 1 118 118 ILE N N 15 3.7422 0.0574 . . . . . . . 27245 1 100 . 1 1 119 119 ASP N N 15 4.0080 0.0858 . . . . . . . 27245 1 101 . 1 1 120 120 GLU N N 15 3.6819 0.0504 . . . . . . . 27245 1 102 . 1 1 121 121 ASP N N 15 3.8102 0.0461 . . . . . . . 27245 1 103 . 1 1 122 122 ASP N N 15 3.9674 0.0443 . . . . . . . 27245 1 104 . 1 1 123 123 LEU N N 15 3.5218 0.0754 . . . . . . . 27245 1 105 . 1 1 124 124 ASP N N 15 3.8088 0.0406 . . . . . . . 27245 1 106 . 1 1 125 125 LEU N N 15 3.4567 0.0565 . . . . . . . 27245 1 107 . 1 1 127 127 GLU N N 15 3.1891 0.0410 . . . . . . . 27245 1 108 . 1 1 128 128 VAL N N 15 3.3440 0.0467 . . . . . . . 27245 1 109 . 1 1 129 129 GLU N N 15 3.7477 0.0765 . . . . . . . 27245 1 110 . 1 1 131 131 GLU N N 15 3.4419 0.0660 . . . . . . . 27245 1 111 . 1 1 133 133 ASP N N 15 3.2571 0.0608 . . . . . . . 27245 1 112 . 1 1 134 134 LEU N N 15 2.6507 0.0611 . . . . . . . 27245 1 113 . 1 1 135 135 GLU N N 15 2.7781 0.0521 . . . . . . . 27245 1 114 . 1 1 136 136 ALA N N 15 2.7669 0.0641 . . . . . . . 27245 1 115 . 1 1 137 137 ASP N N 15 2.6219 0.0533 . . . . . . . 27245 1 116 . 1 1 138 138 ASP N N 15 2.7874 0.0388 . . . . . . . 27245 1 117 . 1 1 139 139 PHE N N 15 2.7112 0.0423 . . . . . . . 27245 1 118 . 1 1 140 140 ASP N N 15 2.9502 0.0635 . . . . . . . 27245 1 119 . 1 1 141 141 GLU N N 15 2.8981 0.0721 . . . . . . . 27245 1 120 . 1 1 142 142 GLU N N 15 2.9567 0.0695 . . . . . . . 27245 1 121 . 1 1 143 143 ASP N N 15 3.2865 0.0347 . . . . . . . 27245 1 122 . 1 1 144 144 LEU N N 15 2.8617 0.0536 . . . . . . . 27245 1 123 . 1 1 145 145 ASP N N 15 2.8719 0.0563 . . . . . . . 27245 1 124 . 1 1 147 147 ASP N N 15 2.9051 0.0516 . . . . . . . 27245 1 125 . 1 1 148 148 ASP N N 15 2.9357 0.0541 . . . . . . . 27245 1 126 . 1 1 149 149 ASP N N 15 2.7847 0.0415 . . . . . . . 27245 1 127 . 1 1 152 152 GLU N N 15 2.9501 0.0610 . . . . . . . 27245 1 128 . 1 1 153 153 ILE N N 15 2.8305 0.0490 . . . . . . . 27245 1 129 . 1 1 154 154 GLU N N 15 2.8025 0.0722 . . . . . . . 27245 1 130 . 1 1 155 155 GLU N N 15 2.8137 0.0530 . . . . . . . 27245 1 131 . 1 1 156 156 ASP N N 15 2.9198 0.0769 . . . . . . . 27245 1 132 . 1 1 157 157 ILE N N 15 2.7462 0.0540 . . . . . . . 27245 1 133 . 1 1 158 158 ILE N N 15 2.8507 0.0687 . . . . . . . 27245 1 134 . 1 1 159 159 ASP N N 15 2.9524 0.0699 . . . . . . . 27245 1 135 . 1 1 160 160 GLU N N 15 2.4766 0.0568 . . . . . . . 27245 1 136 . 1 1 161 161 ASP N N 15 2.6844 0.0553 . . . . . . . 27245 1 137 . 1 1 163 163 GLU N N 15 2.3239 0.0431 . . . . . . . 27245 1 138 . 1 1 164 164 ASP N N 15 2.8250 0.0565 . . . . . . . 27245 1 139 . 1 1 165 165 TYR N N 15 2.6605 0.0497 . . . . . . . 27245 1 140 . 1 1 166 166 ASP N N 15 2.6054 0.0463 . . . . . . . 27245 1 141 . 1 1 167 167 ASP N N 15 2.2538 0.0553 . . . . . . . 27245 1 142 . 1 1 169 169 GLU N N 15 2.2436 0.0547 . . . . . . . 27245 1 143 . 1 1 170 170 GLU N N 15 1.7029 0.0651 . . . . . . . 27245 1 144 . 1 1 173 173 LYS N N 15 1.2430 0.1035 . . . . . . . 27245 1 stop_ save_ ####################################################### # Dipole-dipole cross correlation relaxation values # ####################################################### save_DD_cross_correlation_relaxation_list_1 _Cross_correlation_DD_list.Sf_category dipole_dipole_cross_correlations _Cross_correlation_DD_list.Sf_framecode DD_cross_correlation_relaxation_list_1 _Cross_correlation_DD_list.Entry_ID 27245 _Cross_correlation_DD_list.ID 1 _Cross_correlation_DD_list.Name . _Cross_correlation_DD_list.Sample_condition_list_ID 1 _Cross_correlation_DD_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_DD_list.Spectrometer_frequency_1H 600 _Cross_correlation_DD_list.Val_units s-1 _Cross_correlation_DD_list.Details . _Cross_correlation_DD_list.Text_data_format . _Cross_correlation_DD_list.Text_data . loop_ _Cross_correlation_DD_experiment.Experiment_ID _Cross_correlation_DD_experiment.Experiment_name _Cross_correlation_DD_experiment.Sample_ID _Cross_correlation_DD_experiment.Sample_label _Cross_correlation_DD_experiment.Sample_state _Cross_correlation_DD_experiment.Entry_ID _Cross_correlation_DD_experiment.Cross_correlation_DD_list_ID 4 '3D NUS HNCO longitudinal cross-correlated cross-relaxation' . . . 27245 1 stop_ loop_ _Cross_correlation_DD.ID _Cross_correlation_DD.Dipole_1_assembly_atom_ID_1 _Cross_correlation_DD.Dipole_1_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_1_entity_ID_1 _Cross_correlation_DD.Dipole_1_comp_index_ID_1 _Cross_correlation_DD.Dipole_1_seq_ID_1 _Cross_correlation_DD.Dipole_1_comp_ID_1 _Cross_correlation_DD.Dipole_1_atom_ID_1 _Cross_correlation_DD.Dipole_1_atom_type_1 _Cross_correlation_DD.Dipole_1_atom_isotope_number_1 _Cross_correlation_DD.Dipole_2_assembly_atom_ID_1 _Cross_correlation_DD.Dipole_2_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_2_entity_ID_1 _Cross_correlation_DD.Dipole_2_comp_index_ID_1 _Cross_correlation_DD.Dipole_2_seq_ID_1 _Cross_correlation_DD.Dipole_2_comp_ID_1 _Cross_correlation_DD.Dipole_2_atom_ID_1 _Cross_correlation_DD.Dipole_2_atom_type_1 _Cross_correlation_DD.Dipole_2_atom_isotope_number_1 _Cross_correlation_DD.Val _Cross_correlation_DD.Val_err _Cross_correlation_DD.Dipole_1_Resonance_ID_1 _Cross_correlation_DD.Dipole_2_Resonance_ID_1 _Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_1_auth_seq_ID_1 _Cross_correlation_DD.Dipole_1_auth_comp_ID_1 _Cross_correlation_DD.Dipole_1_auth_atom_ID_1 _Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_2_auth_seq_ID_1 _Cross_correlation_DD.Dipole_2_auth_comp_ID_1 _Cross_correlation_DD.Dipole_2_auth_atom_ID_1 _Cross_correlation_DD.Entry_ID _Cross_correlation_DD.Cross_correlation_DD_list_ID 1 . 1 1 5 5 GLN N N 15 . . . . . . . . . 0.881 0.039 . . . . . . . . . . 27245 1 2 . 1 1 6 6 TYR N N 15 . . . . . . . . . 0.973 0.027 . . . . . . . . . . 27245 1 3 . 1 1 14 14 MET N N 15 . . . . . . . . . 0.878 0.051 . . . . . . . . . . 27245 1 4 . 1 1 52 52 GLY N N 15 . . . . . . . . . 0.98 0.025 . . . . . . . . . . 27245 1 5 . 1 1 82 82 TYR N N 15 . . . . . . . . . 1.09 0.071 . . . . . . . . . . 27245 1 6 . 1 1 84 84 TYR N N 15 . . . . . . . . . 1.02 0.018 . . . . . . . . . . 27245 1 7 . 1 1 85 85 ASP N N 15 . . . . . . . . . 0.945 0.01 . . . . . . . . . . 27245 1 8 . 1 1 86 86 GLN N N 15 . . . . . . . . . 0.874 0.006 . . . . . . . . . . 27245 1 9 . 1 1 87 87 LEU N N 15 . . . . . . . . . 0.88 0.005 . . . . . . . . . . 27245 1 10 . 1 1 90 90 GLU N N 15 . . . . . . . . . 0.853 0.005 . . . . . . . . . . 27245 1 11 . 1 1 91 91 THR N N 15 . . . . . . . . . 0.807 0.005 . . . . . . . . . . 27245 1 12 . 1 1 92 92 GLN N N 15 . . . . . . . . . 0.793 0.005 . . . . . . . . . . 27245 1 13 . 1 1 94 94 THR N N 15 . . . . . . . . . 0.762 0.006 . . . . . . . . . . 27245 1 14 . 1 1 95 95 VAL N N 15 . . . . . . . . . 0.836 0.006 . . . . . . . . . . 27245 1 15 . 1 1 96 96 LYS N N 15 . . . . . . . . . 0.821 0.008 . . . . . . . . . . 27245 1 16 . 1 1 97 97 ALA N N 15 . . . . . . . . . 0.893 0.007 . . . . . . . . . . 27245 1 17 . 1 1 98 98 LYS N N 15 . . . . . . . . . 0.856 0.007 . . . . . . . . . . 27245 1 18 . 1 1 99 99 LYS N N 15 . . . . . . . . . 0.992 0.007 . . . . . . . . . . 27245 1 19 . 1 1 102 102 ALA N N 15 . . . . . . . . . 1.047 0.007 . . . . . . . . . . 27245 1 20 . 1 1 103 103 LYS N N 15 . . . . . . . . . 0.892 0.005 . . . . . . . . . . 27245 1 21 . 1 1 104 104 LYS N N 15 . . . . . . . . . 0.962 0.005 . . . . . . . . . . 27245 1 22 . 1 1 105 105 ALA N N 15 . . . . . . . . . 0.992 0.006 . . . . . . . . . . 27245 1 23 . 1 1 106 106 VAL N N 15 . . . . . . . . . 0.883 0.004 . . . . . . . . . . 27245 1 24 . 1 1 108 108 GLU N N 15 . . . . . . . . . 0.909 0.004 . . . . . . . . . . 27245 1 25 . 1 1 110 110 LEU N N 15 . . . . . . . . . 0.903 0.003 . . . . . . . . . . 27245 1 26 . 1 1 111 111 ASP N N 15 . . . . . . . . . 0.943 0.003 . . . . . . . . . . 27245 1 27 . 1 1 113 113 ASP N N 15 . . . . . . . . . 0.905 0.003 . . . . . . . . . . 27245 1 28 . 1 1 114 114 GLU N N 15 . . . . . . . . . 0.936 0.004 . . . . . . . . . . 27245 1 29 . 1 1 115 115 PHE N N 15 . . . . . . . . . 0.943 0.004 . . . . . . . . . . 27245 1 30 . 1 1 116 116 GLU N N 15 . . . . . . . . . 0.952 0.005 . . . . . . . . . . 27245 1 31 . 1 1 117 117 GLU N N 15 . . . . . . . . . 0.958 0.005 . . . . . . . . . . 27245 1 32 . 1 1 118 118 ILE N N 15 . . . . . . . . . 0.929 0.005 . . . . . . . . . . 27245 1 33 . 1 1 119 119 ASP N N 15 . . . . . . . . . 0.984 0.005 . . . . . . . . . . 27245 1 34 . 1 1 120 120 GLU N N 15 . . . . . . . . . 0.894 0.004 . . . . . . . . . . 27245 1 35 . 1 1 121 121 ASP N N 15 . . . . . . . . . 0.948 0.004 . . . . . . . . . . 27245 1 36 . 1 1 122 122 ASP N N 15 . . . . . . . . . 0.954 0.004 . . . . . . . . . . 27245 1 37 . 1 1 124 124 ASP N N 15 . . . . . . . . . 0.927 0.004 . . . . . . . . . . 27245 1 38 . 1 1 125 125 LEU N N 15 . . . . . . . . . 0.837 0.004 . . . . . . . . . . 27245 1 39 . 1 1 127 127 GLU N N 15 . . . . . . . . . 0.833 0.003 . . . . . . . . . . 27245 1 40 . 1 1 128 128 VAL N N 15 . . . . . . . . . 0.791 0.004 . . . . . . . . . . 27245 1 41 . 1 1 129 129 GLU N N 15 . . . . . . . . . 0.827 0.004 . . . . . . . . . . 27245 1 42 . 1 1 131 131 GLU N N 15 . . . . . . . . . 0.795 0.004 . . . . . . . . . . 27245 1 43 . 1 1 133 133 ASP N N 15 . . . . . . . . . 0.773 0.003 . . . . . . . . . . 27245 1 44 . 1 1 134 134 LEU N N 15 . . . . . . . . . 0.74 0.002 . . . . . . . . . . 27245 1 45 . 1 1 135 135 GLU N N 15 . . . . . . . . . 0.785 0.003 . . . . . . . . . . 27245 1 46 . 1 1 136 136 ALA N N 15 . . . . . . . . . 0.714 0.003 . . . . . . . . . . 27245 1 47 . 1 1 137 137 ASP N N 15 . . . . . . . . . 0.684 0.003 . . . . . . . . . . 27245 1 48 . 1 1 138 138 ASP N N 15 . . . . . . . . . 0.729 0.003 . . . . . . . . . . 27245 1 49 . 1 1 139 139 PHE N N 15 . . . . . . . . . 0.736 0.003 . . . . . . . . . . 27245 1 50 . 1 1 140 140 ASP N N 15 . . . . . . . . . 0.747 0.004 . . . . . . . . . . 27245 1 51 . 1 1 141 141 GLU N N 15 . . . . . . . . . 0.731 0.003 . . . . . . . . . . 27245 1 52 . 1 1 142 142 GLU N N 15 . . . . . . . . . 0.766 0.003 . . . . . . . . . . 27245 1 53 . 1 1 143 143 ASP N N 15 . . . . . . . . . 0.745 0.004 . . . . . . . . . . 27245 1 54 . 1 1 145 145 ASP N N 15 . . . . . . . . . 0.755 0.005 . . . . . . . . . . 27245 1 55 . 1 1 147 147 ASP N N 15 . . . . . . . . . 0.745 0.005 . . . . . . . . . . 27245 1 56 . 1 1 148 148 ASP N N 15 . . . . . . . . . 0.705 0.006 . . . . . . . . . . 27245 1 57 . 1 1 149 149 ASP N N 15 . . . . . . . . . 0.737 0.005 . . . . . . . . . . 27245 1 58 . 1 1 152 152 GLU N N 15 . . . . . . . . . 0.741 0.003 . . . . . . . . . . 27245 1 59 . 1 1 153 153 ILE N N 15 . . . . . . . . . 0.693 0.003 . . . . . . . . . . 27245 1 60 . 1 1 154 154 GLU N N 15 . . . . . . . . . 0.742 0.002 . . . . . . . . . . 27245 1 61 . 1 1 155 155 GLU N N 15 . . . . . . . . . 0.699 0.002 . . . . . . . . . . 27245 1 62 . 1 1 156 156 ASP N N 15 . . . . . . . . . 0.732 0.002 . . . . . . . . . . 27245 1 63 . 1 1 157 157 ILE N N 15 . . . . . . . . . 0.703 0.002 . . . . . . . . . . 27245 1 64 . 1 1 158 158 ILE N N 15 . . . . . . . . . 0.741 0.003 . . . . . . . . . . 27245 1 65 . 1 1 159 159 ASP N N 15 . . . . . . . . . 0.752 0.003 . . . . . . . . . . 27245 1 66 . 1 1 160 160 GLU N N 15 . . . . . . . . . 0.711 0.003 . . . . . . . . . . 27245 1 67 . 1 1 161 161 ASP N N 15 . . . . . . . . . 0.748 0.003 . . . . . . . . . . 27245 1 68 . 1 1 164 164 ASP N N 15 . . . . . . . . . 0.72 0.004 . . . . . . . . . . 27245 1 69 . 1 1 165 165 TYR N N 15 . . . . . . . . . 0.728 0.003 . . . . . . . . . . 27245 1 70 . 1 1 166 166 ASP N N 15 . . . . . . . . . 0.794 0.003 . . . . . . . . . . 27245 1 71 . 1 1 167 167 ASP N N 15 . . . . . . . . . 0.744 0.003 . . . . . . . . . . 27245 1 72 . 1 1 168 168 GLU N N 15 . . . . . . . . . 0.799 0.004 . . . . . . . . . . 27245 1 73 . 1 1 169 169 GLU N N 15 . . . . . . . . . 0.722 0.002 . . . . . . . . . . 27245 1 74 . 1 1 170 170 GLU N N 15 . . . . . . . . . 0.652 0.001 . . . . . . . . . . 27245 1 75 . 1 1 173 173 LYS N N 15 . . . . . . . . . 0.465 0.001 . . . . . . . . . . 27245 1 stop_ save_ save_DD_cross_correlation_relaxation_list_2 _Cross_correlation_DD_list.Sf_category dipole_dipole_cross_correlations _Cross_correlation_DD_list.Sf_framecode DD_cross_correlation_relaxation_list_2 _Cross_correlation_DD_list.Entry_ID 27245 _Cross_correlation_DD_list.ID 2 _Cross_correlation_DD_list.Name . _Cross_correlation_DD_list.Sample_condition_list_ID 1 _Cross_correlation_DD_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_DD_list.Spectrometer_frequency_1H 600 _Cross_correlation_DD_list.Val_units s-1 _Cross_correlation_DD_list.Details . _Cross_correlation_DD_list.Text_data_format . _Cross_correlation_DD_list.Text_data . loop_ _Cross_correlation_DD_experiment.Experiment_ID _Cross_correlation_DD_experiment.Experiment_name _Cross_correlation_DD_experiment.Sample_ID _Cross_correlation_DD_experiment.Sample_label _Cross_correlation_DD_experiment.Sample_state _Cross_correlation_DD_experiment.Entry_ID _Cross_correlation_DD_experiment.Cross_correlation_DD_list_ID 5 '3D NUS HNCO transverse cross-correlated cross-relaxation' . . . 27245 2 stop_ loop_ _Cross_correlation_DD.ID _Cross_correlation_DD.Dipole_1_assembly_atom_ID_1 _Cross_correlation_DD.Dipole_1_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_1_entity_ID_1 _Cross_correlation_DD.Dipole_1_comp_index_ID_1 _Cross_correlation_DD.Dipole_1_seq_ID_1 _Cross_correlation_DD.Dipole_1_comp_ID_1 _Cross_correlation_DD.Dipole_1_atom_ID_1 _Cross_correlation_DD.Dipole_1_atom_type_1 _Cross_correlation_DD.Dipole_1_atom_isotope_number_1 _Cross_correlation_DD.Dipole_2_assembly_atom_ID_1 _Cross_correlation_DD.Dipole_2_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_2_entity_ID_1 _Cross_correlation_DD.Dipole_2_comp_index_ID_1 _Cross_correlation_DD.Dipole_2_seq_ID_1 _Cross_correlation_DD.Dipole_2_comp_ID_1 _Cross_correlation_DD.Dipole_2_atom_ID_1 _Cross_correlation_DD.Dipole_2_atom_type_1 _Cross_correlation_DD.Dipole_2_atom_isotope_number_1 _Cross_correlation_DD.Val _Cross_correlation_DD.Val_err _Cross_correlation_DD.Dipole_1_Resonance_ID_1 _Cross_correlation_DD.Dipole_2_Resonance_ID_1 _Cross_correlation_DD.Dipole_1_auth_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_1_auth_seq_ID_1 _Cross_correlation_DD.Dipole_1_auth_comp_ID_1 _Cross_correlation_DD.Dipole_1_auth_atom_ID_1 _Cross_correlation_DD.Dipole_2_auth_entity_assembly_ID_1 _Cross_correlation_DD.Dipole_2_auth_seq_ID_1 _Cross_correlation_DD.Dipole_2_auth_comp_ID_1 _Cross_correlation_DD.Dipole_2_auth_atom_ID_1 _Cross_correlation_DD.Entry_ID _Cross_correlation_DD.Cross_correlation_DD_list_ID 1 . 1 1 3 3 ILE N N 15 . . . . . . . . . 6.018 0.346 . . . . . . . . . . 27245 2 2 . 1 1 4 4 LYS N N 15 . . . . . . . . . 7.043 0.179 . . . . . . . . . . 27245 2 3 . 1 1 5 5 GLN N N 15 . . . . . . . . . 7.54 0.178 . . . . . . . . . . 27245 2 4 . 1 1 6 6 TYR N N 15 . . . . . . . . . 7 0.129 . . . . . . . . . . 27245 2 5 . 1 1 7 7 SER N N 15 . . . . . . . . . 7.086 0.359 . . . . . . . . . . 27245 2 6 . 1 1 8 8 GLN N N 15 . . . . . . . . . 7.882 0.276 . . . . . . . . . . 27245 2 7 . 1 1 9 9 GLU N N 15 . . . . . . . . . 6.461 0.153 . . . . . . . . . . 27245 2 8 . 1 1 10 10 GLU N N 15 . . . . . . . . . 7.09 0.285 . . . . . . . . . . 27245 2 9 . 1 1 11 11 LEU N N 15 . . . . . . . . . 6.225 0.23 . . . . . . . . . . 27245 2 10 . 1 1 12 12 LYS N N 15 . . . . . . . . . 6.932 0.237 . . . . . . . . . . 27245 2 11 . 1 1 13 13 GLU N N 15 . . . . . . . . . 6.509 0.169 . . . . . . . . . . 27245 2 12 . 1 1 14 14 MET N N 15 . . . . . . . . . 7.526 0.161 . . . . . . . . . . 27245 2 13 . 1 1 15 15 ALA N N 15 . . . . . . . . . 7.74 0.203 . . . . . . . . . . 27245 2 14 . 1 1 16 16 LEU N N 15 . . . . . . . . . 7.881 0.62 . . . . . . . . . . 27245 2 15 . 1 1 18 18 GLU N N 15 . . . . . . . . . 10.287 0.755 . . . . . . . . . . 27245 2 16 . 1 1 20 20 ALA N N 15 . . . . . . . . . 7.647 0.472 . . . . . . . . . . 27245 2 17 . 1 1 23 23 LEU N N 15 . . . . . . . . . 6.836 0.428 . . . . . . . . . . 27245 2 18 . 1 1 24 24 PHE N N 15 . . . . . . . . . 10.361 1.14 . . . . . . . . . . 27245 2 19 . 1 1 26 26 GLU N N 15 . . . . . . . . . 8.559 0.427 . . . . . . . . . . 27245 2 20 . 1 1 27 27 HIS N N 15 . . . . . . . . . 7.689 0.411 . . . . . . . . . . 27245 2 21 . 1 1 29 29 LYS N N 15 . . . . . . . . . 9.385 0.391 . . . . . . . . . . 27245 2 22 . 1 1 34 34 GLN N N 15 . . . . . . . . . 9.215 0.456 . . . . . . . . . . 27245 2 23 . 1 1 35 35 GLU N N 15 . . . . . . . . . 8.641 0.494 . . . . . . . . . . 27245 2 24 . 1 1 36 36 LEU N N 15 . . . . . . . . . 9.2 0.754 . . . . . . . . . . 27245 2 25 . 1 1 37 37 LEU N N 15 . . . . . . . . . 8.046 0.451 . . . . . . . . . . 27245 2 26 . 1 1 38 38 ASN N N 15 . . . . . . . . . 9.897 0.491 . . . . . . . . . . 27245 2 27 . 1 1 39 39 GLU N N 15 . . . . . . . . . 8.08 0.414 . . . . . . . . . . 27245 2 28 . 1 1 41 41 ALA N N 15 . . . . . . . . . 10.965 0.682 . . . . . . . . . . 27245 2 29 . 1 1 42 42 SER N N 15 . . . . . . . . . 9.755 0.349 . . . . . . . . . . 27245 2 30 . 1 1 43 43 LEU N N 15 . . . . . . . . . 9.43 0.43 . . . . . . . . . . 27245 2 31 . 1 1 44 44 LEU N N 15 . . . . . . . . . 7.301 0.4 . . . . . . . . . . 27245 2 32 . 1 1 45 45 GLY N N 15 . . . . . . . . . 11.817 0.811 . . . . . . . . . . 27245 2 33 . 1 1 46 46 VAL N N 15 . . . . . . . . . 9.482 0.315 . . . . . . . . . . 27245 2 34 . 1 1 47 47 LYS N N 15 . . . . . . . . . 6.047 0.166 . . . . . . . . . . 27245 2 35 . 1 1 48 48 LYS N N 15 . . . . . . . . . 6.817 0.276 . . . . . . . . . . 27245 2 36 . 1 1 49 49 GLU N N 15 . . . . . . . . . 6.216 0.175 . . . . . . . . . . 27245 2 37 . 1 1 50 50 GLU N N 15 . . . . . . . . . 7.221 0.227 . . . . . . . . . . 27245 2 38 . 1 1 51 51 LEU N N 15 . . . . . . . . . 7.282 0.302 . . . . . . . . . . 27245 2 39 . 1 1 52 52 GLY N N 15 . . . . . . . . . 5.904 0.106 . . . . . . . . . . 27245 2 40 . 1 1 53 53 ASP N N 15 . . . . . . . . . 5.622 0.337 . . . . . . . . . . 27245 2 41 . 1 1 54 54 ARG N N 15 . . . . . . . . . 10.244 0.466 . . . . . . . . . . 27245 2 42 . 1 1 55 55 ILE N N 15 . . . . . . . . . 10.703 0.643 . . . . . . . . . . 27245 2 43 . 1 1 56 56 ALA N N 15 . . . . . . . . . 9.539 0.391 . . . . . . . . . . 27245 2 44 . 1 1 57 57 GLN N N 15 . . . . . . . . . 10.295 0.555 . . . . . . . . . . 27245 2 45 . 1 1 58 58 PHE N N 15 . . . . . . . . . 9.547 0.673 . . . . . . . . . . 27245 2 46 . 1 1 60 60 THR N N 15 . . . . . . . . . 12.075 0.961 . . . . . . . . . . 27245 2 47 . 1 1 61 61 ASP N N 15 . . . . . . . . . 8.339 0.534 . . . . . . . . . . 27245 2 48 . 1 1 70 70 ALA N N 15 . . . . . . . . . 8.228 0.528 . . . . . . . . . . 27245 2 49 . 1 1 73 73 ASP N N 15 . . . . . . . . . 7.937 0.686 . . . . . . . . . . 27245 2 50 . 1 1 75 75 THR N N 15 . . . . . . . . . 8.715 0.676 . . . . . . . . . . 27245 2 51 . 1 1 81 81 TRP N N 15 . . . . . . . . . 9.017 0.462 . . . . . . . . . . 27245 2 52 . 1 1 82 82 TYR N N 15 . . . . . . . . . 8.431 0.357 . . . . . . . . . . 27245 2 53 . 1 1 84 84 TYR N N 15 . . . . . . . . . 5.133 0.068 . . . . . . . . . . 27245 2 54 . 1 1 85 85 ASP N N 15 . . . . . . . . . 3.787 0.035 . . . . . . . . . . 27245 2 55 . 1 1 86 86 GLN N N 15 . . . . . . . . . 3.016 0.023 . . . . . . . . . . 27245 2 56 . 1 1 87 87 LEU N N 15 . . . . . . . . . 2.555 0.018 . . . . . . . . . . 27245 2 57 . 1 1 88 88 ASP N N 15 . . . . . . . . . 2.431 0.015 . . . . . . . . . . 27245 2 58 . 1 1 90 90 GLU N N 15 . . . . . . . . . 2.349 0.017 . . . . . . . . . . 27245 2 59 . 1 1 91 91 THR N N 15 . . . . . . . . . 2.175 0.018 . . . . . . . . . . 27245 2 60 . 1 1 92 92 GLN N N 15 . . . . . . . . . 2.353 0.017 . . . . . . . . . . 27245 2 61 . 1 1 94 94 THR N N 15 . . . . . . . . . 2.454 0.021 . . . . . . . . . . 27245 2 62 . 1 1 95 95 VAL N N 15 . . . . . . . . . 2.497 0.018 . . . . . . . . . . 27245 2 63 . 1 1 96 96 LYS N N 15 . . . . . . . . . 2.926 0.027 . . . . . . . . . . 27245 2 64 . 1 1 97 97 ALA N N 15 . . . . . . . . . 2.807 0.022 . . . . . . . . . . 27245 2 65 . 1 1 98 98 LYS N N 15 . . . . . . . . . 2.863 0.022 . . . . . . . . . . 27245 2 66 . 1 1 99 99 LYS N N 15 . . . . . . . . . 3.054 0.022 . . . . . . . . . . 27245 2 67 . 1 1 102 102 ALA N N 15 . . . . . . . . . 3.075 0.02 . . . . . . . . . . 27245 2 68 . 1 1 103 103 LYS N N 15 . . . . . . . . . 2.461 0.016 . . . . . . . . . . 27245 2 69 . 1 1 104 104 LYS N N 15 . . . . . . . . . 2.67 0.015 . . . . . . . . . . 27245 2 70 . 1 1 105 105 ALA N N 15 . . . . . . . . . 2.489 0.017 . . . . . . . . . . 27245 2 71 . 1 1 106 106 VAL N N 15 . . . . . . . . . 2.232 0.014 . . . . . . . . . . 27245 2 72 . 1 1 108 108 GLU N N 15 . . . . . . . . . 2.167 0.013 . . . . . . . . . . 27245 2 73 . 1 1 110 110 LEU N N 15 . . . . . . . . . 2.09 0.011 . . . . . . . . . . 27245 2 74 . 1 1 111 111 ASP N N 15 . . . . . . . . . 2.125 0.012 . . . . . . . . . . 27245 2 75 . 1 1 113 113 ASP N N 15 . . . . . . . . . 2.173 0.009 . . . . . . . . . . 27245 2 76 . 1 1 114 114 GLU N N 15 . . . . . . . . . 2.288 0.013 . . . . . . . . . . 27245 2 77 . 1 1 115 115 PHE N N 15 . . . . . . . . . 2.3 0.014 . . . . . . . . . . 27245 2 78 . 1 1 116 116 GLU N N 15 . . . . . . . . . 2.436 0.015 . . . . . . . . . . 27245 2 79 . 1 1 117 117 GLU N N 15 . . . . . . . . . 2.309 0.015 . . . . . . . . . . 27245 2 80 . 1 1 118 118 ILE N N 15 . . . . . . . . . 2.405 0.016 . . . . . . . . . . 27245 2 81 . 1 1 119 119 ASP N N 15 . . . . . . . . . 2.487 0.017 . . . . . . . . . . 27245 2 82 . 1 1 120 120 GLU N N 15 . . . . . . . . . 2.328 0.014 . . . . . . . . . . 27245 2 83 . 1 1 121 121 ASP N N 15 . . . . . . . . . 2.45 0.015 . . . . . . . . . . 27245 2 84 . 1 1 122 122 ASP N N 15 . . . . . . . . . 2.361 0.014 . . . . . . . . . . 27245 2 85 . 1 1 123 123 LEU N N 15 . . . . . . . . . 2.209 0.013 . . . . . . . . . . 27245 2 86 . 1 1 124 124 ASP N N 15 . . . . . . . . . 2.203 0.015 . . . . . . . . . . 27245 2 87 . 1 1 125 125 LEU N N 15 . . . . . . . . . 2.07 0.013 . . . . . . . . . . 27245 2 88 . 1 1 127 127 GLU N N 15 . . . . . . . . . 1.955 0.012 . . . . . . . . . . 27245 2 89 . 1 1 128 128 VAL N N 15 . . . . . . . . . 2.037 0.013 . . . . . . . . . . 27245 2 90 . 1 1 129 129 GLU N N 15 . . . . . . . . . 2.034 0.014 . . . . . . . . . . 27245 2 91 . 1 1 131 131 GLU N N 15 . . . . . . . . . 1.92 0.014 . . . . . . . . . . 27245 2 92 . 1 1 133 133 ASP N N 15 . . . . . . . . . 1.786 0.011 . . . . . . . . . . 27245 2 93 . 1 1 134 134 LEU N N 15 . . . . . . . . . 1.554 0.01 . . . . . . . . . . 27245 2 94 . 1 1 135 135 GLU N N 15 . . . . . . . . . 1.575 0.012 . . . . . . . . . . 27245 2 95 . 1 1 136 136 ALA N N 15 . . . . . . . . . 1.597 0.012 . . . . . . . . . . 27245 2 96 . 1 1 137 137 ASP N N 15 . . . . . . . . . 1.401 0.011 . . . . . . . . . . 27245 2 97 . 1 1 138 138 ASP N N 15 . . . . . . . . . 1.348 0.011 . . . . . . . . . . 27245 2 98 . 1 1 139 139 PHE N N 15 . . . . . . . . . 1.347 0.01 . . . . . . . . . . 27245 2 99 . 1 1 140 140 ASP N N 15 . . . . . . . . . 1.496 0.014 . . . . . . . . . . 27245 2 100 . 1 1 141 141 GLU N N 15 . . . . . . . . . 1.517 0.012 . . . . . . . . . . 27245 2 101 . 1 1 142 142 GLU N N 15 . . . . . . . . . 1.569 0.011 . . . . . . . . . . 27245 2 102 . 1 1 143 143 ASP N N 15 . . . . . . . . . 1.604 0.012 . . . . . . . . . . 27245 2 103 . 1 1 144 144 LEU N N 15 . . . . . . . . . 1.361 0.011 . . . . . . . . . . 27245 2 104 . 1 1 145 145 ASP N N 15 . . . . . . . . . 1.365 0.015 . . . . . . . . . . 27245 2 105 . 1 1 147 147 ASP N N 15 . . . . . . . . . 1.401 0.014 . . . . . . . . . . 27245 2 106 . 1 1 148 148 ASP N N 15 . . . . . . . . . 1.356 0.018 . . . . . . . . . . 27245 2 107 . 1 1 149 149 ASP N N 15 . . . . . . . . . 1.305 0.015 . . . . . . . . . . 27245 2 108 . 1 1 152 152 GLU N N 15 . . . . . . . . . 1.359 0.011 . . . . . . . . . . 27245 2 109 . 1 1 153 153 ILE N N 15 . . . . . . . . . 1.582 0.011 . . . . . . . . . . 27245 2 110 . 1 1 154 154 GLU N N 15 . . . . . . . . . 1.538 0.009 . . . . . . . . . . 27245 2 111 . 1 1 155 155 GLU N N 15 . . . . . . . . . 1.659 0.009 . . . . . . . . . . 27245 2 112 . 1 1 156 156 ASP N N 15 . . . . . . . . . 1.442 0.009 . . . . . . . . . . 27245 2 113 . 1 1 157 157 ILE N N 15 . . . . . . . . . 1.372 0.009 . . . . . . . . . . 27245 2 114 . 1 1 158 158 ILE N N 15 . . . . . . . . . 1.52 0.011 . . . . . . . . . . 27245 2 115 . 1 1 159 159 ASP N N 15 . . . . . . . . . 1.588 0.012 . . . . . . . . . . 27245 2 116 . 1 1 160 160 GLU N N 15 . . . . . . . . . 1.284 0.01 . . . . . . . . . . 27245 2 117 . 1 1 161 161 ASP N N 15 . . . . . . . . . 1.378 0.011 . . . . . . . . . . 27245 2 118 . 1 1 163 163 GLU N N 15 . . . . . . . . . 1.159 0.008 . . . . . . . . . . 27245 2 119 . 1 1 164 164 ASP N N 15 . . . . . . . . . 1.308 0.013 . . . . . . . . . . 27245 2 120 . 1 1 165 165 TYR N N 15 . . . . . . . . . 1.169 0.012 . . . . . . . . . . 27245 2 121 . 1 1 166 166 ASP N N 15 . . . . . . . . . 1.239 0.01 . . . . . . . . . . 27245 2 122 . 1 1 167 167 ASP N N 15 . . . . . . . . . 1.144 0.009 . . . . . . . . . . 27245 2 123 . 1 1 168 168 GLU N N 15 . . . . . . . . . 2.178 0.015 . . . . . . . . . . 27245 2 124 . 1 1 169 169 GLU N N 15 . . . . . . . . . 1.059 0.007 . . . . . . . . . . 27245 2 125 . 1 1 170 170 GLU N N 15 . . . . . . . . . 0.906 0.006 . . . . . . . . . . 27245 2 126 . 1 1 173 173 LYS N N 15 . . . . . . . . . 0.58 0.004 . . . . . . . . . . 27245 2 stop_ save_