data_15255 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15255 _Entry.Title ; DtxR SH3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-18 _Entry.Accession_date 2007-05-18 _Entry.Last_release_date 2008-02-20 _Entry.Original_release_date 2008-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nilakshee Bhattacharya . . . 15255 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 15255 heteronucl_T1_relaxation 2 15255 heteronucl_T2_relaxation 2 15255 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 73 15255 'T1 relaxation values' 150 15255 'T2 relaxation values' 149 15255 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-02-20 2007-05-18 original author . 15255 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15254 PrSH3 15255 stop_ save_ ############### # Citations # ############### save_DtxR_SH3 _Citation.Sf_category citations _Citation.Sf_framecode DtxR_SH3 _Citation.Entry_ID 15255 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17976643 _Citation.Full_citation . _Citation.Title ; Backbone dynamics in an intramolecular prolylpeptide-SH3 complex from the diphtheria toxin repressor, DtxR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 374 _Citation.Journal_issue 4 _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 977 _Citation.Page_last 992 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nilakshee Bhattacharya . . . 15255 1 2 M. Yi . . . 15255 1 3 H. Zhou . X. . 15255 1 4 T. Logan . M. . 15255 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15255 _Assembly.ID 1 _Assembly.Name SH3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 'subunit 1' 1 $SH3 A . yes native no no . . . 15255 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QVP . . . . . . 15255 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH3 _Entity.Sf_category entity _Entity.Sf_framecode SH3 _Entity.Entry_ID 15255 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SH3 _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 ; GSHMDAAAPGTRVIDAATSM PRKVRIVQINEIFQVETDQF TQLLDADIRVGSEVEIVDRD GHITLSHNGKDVELLDDLAH TIRIEEL ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15254 . PrSH3 . . . . . 95.40 121 100.00 100.00 1.68e-49 . . . . 15255 1 2 no BMRB 4183 . "DtxR subunit 3, C-terminal domain" . . . . . 95.40 109 100.00 100.00 1.66e-49 . . . . 15255 1 3 no PDB 1BI0 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 4 no PDB 1BI1 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 5 no PDB 1BI2 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 6 no PDB 1BI3 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 7 no PDB 1BYM . "Solution Structures Of The C-Terminal Domain Of Diphtheria Toxin Repressor" . . . . . 95.40 97 100.00 100.00 9.90e-50 . . . . 15255 1 8 no PDB 1C0W . "Crystal Structure Of The Cobalt-Activated Diphtheria Toxin Repressor-Dna Complex Reveals A Metal Binding Sh-Like Domain" . . . . . 95.40 225 100.00 100.00 1.16e-48 . . . . 15255 1 9 no PDB 1DDN . "Diphtheria Tox Repressor (C102d Mutant)TOX DNA OPERATOR Complex" . . . . . 95.40 226 100.00 100.00 1.18e-48 . . . . 15255 1 10 no PDB 1DPR . "Structures Of The Apo-And Metal Ion Activated Forms Of The Diphtheria Tox Repressor From Corynebacterium Diphtheriae" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 11 no PDB 1FWZ . "Glu20ala Dtxr" . . . . . 95.40 226 100.00 100.00 1.03e-48 . . . . 15255 1 12 no PDB 1G3S . "Cys102ser Dtxr" . . . . . 95.40 226 100.00 100.00 1.04e-48 . . . . 15255 1 13 no PDB 1G3T . "Cys102ser Dtxr" . . . . . 95.40 226 100.00 100.00 1.04e-48 . . . . 15255 1 14 no PDB 1G3W . "Cd-Cys102ser Dtxr" . . . . . 95.40 226 100.00 100.00 1.04e-48 . . . . 15255 1 15 no PDB 1G3Y . "Arg80ala Dtxr" . . . . . 95.40 226 100.00 100.00 1.08e-48 . . . . 15255 1 16 no PDB 1P92 . "Crystal Structure Of (H79a)dtxr" . . . . . 95.40 226 100.00 100.00 8.09e-49 . . . . 15255 1 17 no PDB 1QVP . "C Terminal Sh3-Like Domain From Diphtheria Toxin Repressor Residues 144-226" . . . . . 100.00 87 100.00 100.00 1.27e-53 . . . . 15255 1 18 no PDB 1QW1 . "Solution Structure Of The C-Terminal Domain Of Dtxr Residues 110-226" . . . . . 95.40 121 100.00 100.00 1.68e-49 . . . . 15255 1 19 no PDB 2DTR . "Structure Of Diphtheria Toxin Repressor" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 20 no PDB 2QQ9 . "Crystal Structure Of Dtxr(D6a C102d) Complexed With Nickel(Ii)" . . . . . 95.40 226 100.00 100.00 9.21e-49 . . . . 15255 1 21 no PDB 2QQA . "Crystal Structure Of Dtxr(E9a C102d) Complexed With Nickel(Ii)" . . . . . 95.40 226 100.00 100.00 1.27e-48 . . . . 15255 1 22 no PDB 2QQB . "Crystal Structure Of Dtxr(m10a C102d) Complexed With Nickel(ii)" . . . . . 95.40 226 100.00 100.00 1.34e-48 . . . . 15255 1 23 no PDB 2TDX . "Diphtheria Tox Repressor (C102d Mutant) Complexed With Nickel" . . . . . 95.40 226 100.00 100.00 1.18e-48 . . . . 15255 1 24 no PDB 3GLX . "Crystal Structure Analysis Of The Dtxr(E175k) Complexed With Ni(Ii)" . . . . . 95.40 226 97.59 98.80 2.02e-47 . . . . 15255 1 25 no EMBL CAE49945 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 97.59 98.80 1.52e-47 . . . . 15255 1 26 no EMBL CCG27916 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 94.25 235 98.78 100.00 2.42e-47 . . . . 15255 1 27 no EMBL CCG27917 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 28 no EMBL CCG27918 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 29 no EMBL CCG27919 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 30 no GB AAA23296 . "toxin repressor protein (dtxR) [Corynebacterium diphtheriae]" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 31 no GB AAA23299 . "diphtheria toxin repressor [Corynebacterium diphtheriae PW8]" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 32 no GB AAA23301 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 100.00 100.00 1.18e-48 . . . . 15255 1 33 no GB AAU93781 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 97.59 97.59 1.26e-46 . . . . 15255 1 34 no GB AAU93782 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 98.80 100.00 2.26e-48 . . . . 15255 1 35 no REF WP_003851803 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 36 no REF WP_010935052 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 97.59 98.80 1.52e-47 . . . . 15255 1 37 no REF WP_014316797 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.40 226 98.80 100.00 4.27e-48 . . . . 15255 1 38 no REF WP_014320173 . "dihydrofolate reductase [Corynebacterium diphtheriae]" . . . . . 95.40 226 98.80 98.80 1.07e-47 . . . . 15255 1 39 no SP H2I233 . "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" . . . . . 95.40 226 100.00 100.00 1.14e-48 . . . . 15255 1 40 no SP P0DJL7 . "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" . . . . . 95.40 226 97.59 98.80 1.52e-47 . . . . 15255 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 140 GLY . 15255 1 2 141 SER . 15255 1 3 142 HIS . 15255 1 4 143 MET . 15255 1 5 144 ASP . 15255 1 6 145 ALA . 15255 1 7 146 ALA . 15255 1 8 147 ALA . 15255 1 9 148 PRO . 15255 1 10 149 GLY . 15255 1 11 150 THR . 15255 1 12 151 ARG . 15255 1 13 152 VAL . 15255 1 14 153 ILE . 15255 1 15 154 ASP . 15255 1 16 155 ALA . 15255 1 17 156 ALA . 15255 1 18 157 THR . 15255 1 19 158 SER . 15255 1 20 159 MET . 15255 1 21 160 PRO . 15255 1 22 161 ARG . 15255 1 23 162 LYS . 15255 1 24 163 VAL . 15255 1 25 164 ARG . 15255 1 26 165 ILE . 15255 1 27 166 VAL . 15255 1 28 167 GLN . 15255 1 29 168 ILE . 15255 1 30 169 ASN . 15255 1 31 170 GLU . 15255 1 32 171 ILE . 15255 1 33 172 PHE . 15255 1 34 173 GLN . 15255 1 35 174 VAL . 15255 1 36 175 GLU . 15255 1 37 176 THR . 15255 1 38 177 ASP . 15255 1 39 178 GLN . 15255 1 40 179 PHE . 15255 1 41 180 THR . 15255 1 42 181 GLN . 15255 1 43 182 LEU . 15255 1 44 183 LEU . 15255 1 45 184 ASP . 15255 1 46 185 ALA . 15255 1 47 186 ASP . 15255 1 48 187 ILE . 15255 1 49 188 ARG . 15255 1 50 189 VAL . 15255 1 51 190 GLY . 15255 1 52 191 SER . 15255 1 53 192 GLU . 15255 1 54 193 VAL . 15255 1 55 194 GLU . 15255 1 56 195 ILE . 15255 1 57 196 VAL . 15255 1 58 197 ASP . 15255 1 59 198 ARG . 15255 1 60 199 ASP . 15255 1 61 200 GLY . 15255 1 62 201 HIS . 15255 1 63 202 ILE . 15255 1 64 203 THR . 15255 1 65 204 LEU . 15255 1 66 205 SER . 15255 1 67 206 HIS . 15255 1 68 207 ASN . 15255 1 69 208 GLY . 15255 1 70 209 LYS . 15255 1 71 210 ASP . 15255 1 72 211 VAL . 15255 1 73 212 GLU . 15255 1 74 213 LEU . 15255 1 75 214 LEU . 15255 1 76 215 ASP . 15255 1 77 216 ASP . 15255 1 78 217 LEU . 15255 1 79 218 ALA . 15255 1 80 219 HIS . 15255 1 81 220 THR . 15255 1 82 221 ILE . 15255 1 83 222 ARG . 15255 1 84 223 ILE . 15255 1 85 224 GLU . 15255 1 86 225 GLU . 15255 1 87 226 LEU . 15255 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15255 1 . SER 2 2 15255 1 . HIS 3 3 15255 1 . MET 4 4 15255 1 . ASP 5 5 15255 1 . ALA 6 6 15255 1 . ALA 7 7 15255 1 . ALA 8 8 15255 1 . PRO 9 9 15255 1 . GLY 10 10 15255 1 . THR 11 11 15255 1 . ARG 12 12 15255 1 . VAL 13 13 15255 1 . ILE 14 14 15255 1 . ASP 15 15 15255 1 . ALA 16 16 15255 1 . ALA 17 17 15255 1 . THR 18 18 15255 1 . SER 19 19 15255 1 . MET 20 20 15255 1 . PRO 21 21 15255 1 . ARG 22 22 15255 1 . LYS 23 23 15255 1 . VAL 24 24 15255 1 . ARG 25 25 15255 1 . ILE 26 26 15255 1 . VAL 27 27 15255 1 . GLN 28 28 15255 1 . ILE 29 29 15255 1 . ASN 30 30 15255 1 . GLU 31 31 15255 1 . ILE 32 32 15255 1 . PHE 33 33 15255 1 . GLN 34 34 15255 1 . VAL 35 35 15255 1 . GLU 36 36 15255 1 . THR 37 37 15255 1 . ASP 38 38 15255 1 . GLN 39 39 15255 1 . PHE 40 40 15255 1 . THR 41 41 15255 1 . GLN 42 42 15255 1 . LEU 43 43 15255 1 . LEU 44 44 15255 1 . ASP 45 45 15255 1 . ALA 46 46 15255 1 . ASP 47 47 15255 1 . ILE 48 48 15255 1 . ARG 49 49 15255 1 . VAL 50 50 15255 1 . GLY 51 51 15255 1 . SER 52 52 15255 1 . GLU 53 53 15255 1 . VAL 54 54 15255 1 . GLU 55 55 15255 1 . ILE 56 56 15255 1 . VAL 57 57 15255 1 . ASP 58 58 15255 1 . ARG 59 59 15255 1 . ASP 60 60 15255 1 . GLY 61 61 15255 1 . HIS 62 62 15255 1 . ILE 63 63 15255 1 . THR 64 64 15255 1 . LEU 65 65 15255 1 . SER 66 66 15255 1 . HIS 67 67 15255 1 . ASN 68 68 15255 1 . GLY 69 69 15255 1 . LYS 70 70 15255 1 . ASP 71 71 15255 1 . VAL 72 72 15255 1 . GLU 73 73 15255 1 . LEU 74 74 15255 1 . LEU 75 75 15255 1 . ASP 76 76 15255 1 . ASP 77 77 15255 1 . LEU 78 78 15255 1 . ALA 79 79 15255 1 . HIS 80 80 15255 1 . THR 81 81 15255 1 . ILE 82 82 15255 1 . ARG 83 83 15255 1 . ILE 84 84 15255 1 . GLU 85 85 15255 1 . GLU 86 86 15255 1 . LEU 87 87 15255 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 15255 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SH3 . 1717 organism . 'Corynebacterium diphtheriae' 'Corynebacterium diphtheriae' . . Bacteria . Corynebacterium diphtheriae . . . . . . . . . . . . . . . . . . . . . 15255 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 15255 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SH3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-15b . . . . . . 15255 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15255 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 SH3 [U-15N] . . 1 $SH3 . . 0.8 . . mM . . . . 15255 1 2 'K Phos' . . . . . . . 10 . . mM . . . . 15255 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 15255 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15255 1 pH 6.5 . pH 15255 1 pressure 1 . atm 15255 1 temperature 303 . K 15255 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15255 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15255 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15255 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15255 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15255 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 720 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 15255 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15255 1 2 spectrometer_2 Varian INOVA . 720 . . . 15255 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 15255 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N T1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15255 1 2 '15N T1' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15255 1 3 '15N T2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15255 1 4 '15N T2' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15255 1 5 'Het NOE' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15255 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 15255 _Heteronucl_NOE_list.ID 1 _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 1.0 _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 5 'Het NOE' . . . 15255 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 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 -0.252 0.020 . . . . . . . . . . 15255 1 2 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 0.164 0.016 . . . . . . . . . . 15255 1 3 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 0.618 0.016 . . . . . . . . . . 15255 1 4 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.708 0.020 . . . . . . . . . . 15255 1 5 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.711 0.018 . . . . . . . . . . 15255 1 6 . 1 1 13 13 VAL N N 15 . 1 1 13 13 VAL H H 1 0.761 0.020 . . . . . . . . . . 15255 1 7 . 1 1 14 14 ILE N N 15 . 1 1 14 14 ILE H H 1 0.753 0.021 . . . . . . . . . . 15255 1 8 . 1 1 15 15 ASP N N 15 . 1 1 15 15 ASP H H 1 0.707 0.021 . . . . . . . . . . 15255 1 9 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.702 0.005 . . . . . . . . . . 15255 1 10 . 1 1 18 18 THR N N 15 . 1 1 18 18 THR H H 1 0.754 0.021 . . . . . . . . . . 15255 1 11 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.781 0.019 . . . . . . . . . . 15255 1 12 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.711 0.015 . . . . . . . . . . 15255 1 13 . 1 1 22 22 ARG N N 15 . 1 1 22 22 ARG H H 1 0.733 0.016 . . . . . . . . . . 15255 1 14 . 1 1 23 23 LYS N N 15 . 1 1 23 23 LYS H H 1 0.690 0.016 . . . . . . . . . . 15255 1 15 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 0.721 0.019 . . . . . . . . . . 15255 1 16 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.717 0.018 . . . . . . . . . . 15255 1 17 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.732 0.009 . . . . . . . . . . 15255 1 18 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.740 0.023 . . . . . . . . . . 15255 1 19 . 1 1 29 29 ILE N N 15 . 1 1 29 29 ILE H H 1 0.754 0.019 . . . . . . . . . . 15255 1 20 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 -0.770 0.023 . . . . . . . . . . 15255 1 21 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.617 0.017 . . . . . . . . . . 15255 1 22 . 1 1 32 32 ILE N N 15 . 1 1 32 32 ILE H H 1 0.488 0.009 . . . . . . . . . . 15255 1 23 . 1 1 33 33 PHE N N 15 . 1 1 33 33 PHE H H 1 0.394 0.016 . . . . . . . . . . 15255 1 24 . 1 1 34 34 GLN N N 15 . 1 1 34 34 GLN H H 1 0.597 0.017 . . . . . . . . . . 15255 1 25 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.485 0.011 . . . . . . . . . . 15255 1 26 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.560 0.017 . . . . . . . . . . 15255 1 27 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 0.507 0.017 . . . . . . . . . . 15255 1 28 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.607 0.018 . . . . . . . . . . 15255 1 29 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.702 0.017 . . . . . . . . . . 15255 1 30 . 1 1 41 41 THR N N 15 . 1 1 41 41 THR H H 1 0.749 0.017 . . . . . . . . . . 15255 1 31 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.686 0.016 . . . . . . . . . . 15255 1 32 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.699 0.022 . . . . . . . . . . 15255 1 33 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.738 0.017 . . . . . . . . . . 15255 1 34 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.732 0.016 . . . . . . . . . . 15255 1 35 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.720 0.025 . . . . . . . . . . 15255 1 36 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.722 0.018 . . . . . . . . . . 15255 1 37 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.730 0.018 . . . . . . . . . . 15255 1 38 . 1 1 49 49 ARG N N 15 . 1 1 49 49 ARG H H 1 0.724 0.017 . . . . . . . . . . 15255 1 39 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 0.783 0.016 . . . . . . . . . . 15255 1 40 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.743 0.019 . . . . . . . . . . 15255 1 41 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.761 0.016 . . . . . . . . . . 15255 1 42 . 1 1 53 53 GLU N N 15 . 1 1 53 53 GLU H H 1 0.769 0.018 . . . . . . . . . . 15255 1 43 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.730 0.018 . . . . . . . . . . 15255 1 44 . 1 1 56 56 ILE N N 15 . 1 1 56 56 ILE H H 1 0.752 0.020 . . . . . . . . . . 15255 1 45 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.702 0.015 . . . . . . . . . . 15255 1 46 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.775 0.017 . . . . . . . . . . 15255 1 47 . 1 1 59 59 ARG N N 15 . 1 1 59 59 ARG H H 1 0.735 0.016 . . . . . . . . . . 15255 1 48 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.616 0.019 . . . . . . . . . . 15255 1 49 . 1 1 61 61 GLY N N 15 . 1 1 61 61 GLY H H 1 0.622 0.017 . . . . . . . . . . 15255 1 50 . 1 1 62 62 HIS N N 15 . 1 1 62 62 HIS H H 1 0.632 0.015 . . . . . . . . . . 15255 1 51 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.711 0.020 . . . . . . . . . . 15255 1 52 . 1 1 64 64 THR N N 15 . 1 1 64 64 THR H H 1 0.775 0.019 . . . . . . . . . . 15255 1 53 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.725 0.019 . . . . . . . . . . 15255 1 54 . 1 1 66 66 SER N N 15 . 1 1 66 66 SER H H 1 0.711 0.021 . . . . . . . . . . 15255 1 55 . 1 1 67 67 HIS N N 15 . 1 1 67 67 HIS H H 1 0.788 0.019 . . . . . . . . . . 15255 1 56 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 0.748 0.019 . . . . . . . . . . 15255 1 57 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.779 0.015 . . . . . . . . . . 15255 1 58 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.667 0.016 . . . . . . . . . . 15255 1 59 . 1 1 72 72 VAL N N 15 . 1 1 72 72 VAL H H 1 0.708 0.019 . . . . . . . . . . 15255 1 60 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.717 0.017 . . . . . . . . . . 15255 1 61 . 1 1 74 74 LEU N N 15 . 1 1 74 74 LEU H H 1 0.743 0.019 . . . . . . . . . . 15255 1 62 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.702 0.020 . . . . . . . . . . 15255 1 63 . 1 1 76 76 ASP N N 15 . 1 1 76 76 ASP H H 1 0.692 0.009 . . . . . . . . . . 15255 1 64 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.749 0.019 . . . . . . . . . . 15255 1 65 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.725 0.017 . . . . . . . . . . 15255 1 66 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.714 0.017 . . . . . . . . . . 15255 1 67 . 1 1 80 80 HIS N N 15 . 1 1 80 80 HIS H H 1 0.733 0.019 . . . . . . . . . . 15255 1 68 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.742 0.018 . . . . . . . . . . 15255 1 69 . 1 1 82 82 ILE N N 15 . 1 1 82 82 ILE H H 1 0.718 0.018 . . . . . . . . . . 15255 1 70 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.755 0.022 . . . . . . . . . . 15255 1 71 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 0.727 0.019 . . . . . . . . . . 15255 1 72 . 1 1 86 86 GLU N N 15 . 1 1 86 86 GLU H H 1 0.716 0.016 . . . . . . . . . . 15255 1 73 . 1 1 87 87 LEU N N 15 . 1 1 87 87 LEU H H 1 0.633 0.018 . . . . . . . . . . 15255 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15255 _Heteronucl_T1_list.ID 1 _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 Nz _Heteronucl_T1_list.T1_val_units s _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 '15N T1' . . . 15255 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 6 6 ALA N N 15 0.509 0.020 . . . . . 15255 1 2 . 1 1 8 8 ALA N N 15 0.502 0.016 . . . . . 15255 1 3 . 1 1 10 10 GLY N N 15 0.470 0.007 . . . . . 15255 1 4 . 1 1 11 11 THR N N 15 0.455 0.006 . . . . . 15255 1 5 . 1 1 12 12 ARG N N 15 0.434 0.008 . . . . . 15255 1 6 . 1 1 13 13 VAL N N 15 0.452 0.007 . . . . . 15255 1 7 . 1 1 14 14 ILE N N 15 0.459 0.009 . . . . . 15255 1 8 . 1 1 15 15 ASP N N 15 0.458 0.005 . . . . . 15255 1 9 . 1 1 16 16 ALA N N 15 0.482 0.006 . . . . . 15255 1 10 . 1 1 18 18 THR N N 15 0.429 0.006 . . . . . 15255 1 11 . 1 1 19 19 SER N N 15 0.390 0.011 . . . . . 15255 1 12 . 1 1 20 20 MET N N 15 0.428 0.007 . . . . . 15255 1 13 . 1 1 22 22 ARG N N 15 0.450 0.006 . . . . . 15255 1 14 . 1 1 23 23 LYS N N 15 0.470 0.005 . . . . . 15255 1 15 . 1 1 24 24 VAL N N 15 0.487 0.008 . . . . . 15255 1 16 . 1 1 25 25 ARG N N 15 0.465 0.006 . . . . . 15255 1 17 . 1 1 26 26 ILE N N 15 0.462 0.006 . . . . . 15255 1 18 . 1 1 27 27 VAL N N 15 0.453 0.006 . . . . . 15255 1 19 . 1 1 29 29 ILE N N 15 0.464 0.007 . . . . . 15255 1 20 . 1 1 30 30 ASN N N 15 0.516 0.025 . . . . . 15255 1 21 . 1 1 31 31 GLU N N 15 0.438 0.011 . . . . . 15255 1 22 . 1 1 32 32 ILE N N 15 0.487 0.009 . . . . . 15255 1 23 . 1 1 33 33 PHE N N 15 0.450 0.007 . . . . . 15255 1 24 . 1 1 34 34 GLN N N 15 0.413 0.008 . . . . . 15255 1 25 . 1 1 35 35 VAL N N 15 0.492 0.009 . . . . . 15255 1 26 . 1 1 36 36 GLU N N 15 0.449 0.007 . . . . . 15255 1 27 . 1 1 37 37 THR N N 15 0.455 0.008 . . . . . 15255 1 28 . 1 1 38 38 ASP N N 15 0.452 0.013 . . . . . 15255 1 29 . 1 1 39 39 GLN N N 15 0.410 0.005 . . . . . 15255 1 30 . 1 1 40 40 PHE N N 15 0.427 0.007 . . . . . 15255 1 31 . 1 1 41 41 THR N N 15 0.390 0.006 . . . . . 15255 1 32 . 1 1 42 42 GLN N N 15 0.408 0.006 . . . . . 15255 1 33 . 1 1 43 43 LEU N N 15 0.473 0.008 . . . . . 15255 1 34 . 1 1 44 44 LEU N N 15 0.477 0.006 . . . . . 15255 1 35 . 1 1 45 45 ASP N N 15 0.460 0.006 . . . . . 15255 1 36 . 1 1 46 46 ALA N N 15 0.475 0.005 . . . . . 15255 1 37 . 1 1 47 47 ASP N N 15 0.440 0.007 . . . . . 15255 1 38 . 1 1 48 48 ILE N N 15 0.486 0.007 . . . . . 15255 1 39 . 1 1 49 49 ARG N N 15 0.463 0.006 . . . . . 15255 1 40 . 1 1 50 50 VAL N N 15 0.476 0.005 . . . . . 15255 1 41 . 1 1 51 51 GLY N N 15 0.459 0.005 . . . . . 15255 1 42 . 1 1 52 52 SER N N 15 0.439 0.005 . . . . . 15255 1 43 . 1 1 53 53 GLU N N 15 0.472 0.006 . . . . . 15255 1 44 . 1 1 54 54 VAL N N 15 0.502 0.006 . . . . . 15255 1 45 . 1 1 55 55 GLU N N 15 0.472 0.006 . . . . . 15255 1 46 . 1 1 56 56 ILE N N 15 0.467 0.005 . . . . . 15255 1 47 . 1 1 57 57 VAL N N 15 0.464 0.007 . . . . . 15255 1 48 . 1 1 58 58 ASP N N 15 0.450 0.007 . . . . . 15255 1 49 . 1 1 59 59 ARG N N 15 0.501 0.010 . . . . . 15255 1 50 . 1 1 60 60 ASP N N 15 0.397 0.010 . . . . . 15255 1 51 . 1 1 61 61 GLY N N 15 0.476 0.004 . . . . . 15255 1 52 . 1 1 62 62 HIS N N 15 0.508 0.007 . . . . . 15255 1 53 . 1 1 63 63 ILE N N 15 0.497 0.007 . . . . . 15255 1 54 . 1 1 64 64 THR N N 15 0.458 0.007 . . . . . 15255 1 55 . 1 1 65 65 LEU N N 15 0.475 0.007 . . . . . 15255 1 56 . 1 1 66 66 SER N N 15 0.491 0.009 . . . . . 15255 1 57 . 1 1 67 67 HIS N N 15 0.434 0.010 . . . . . 15255 1 58 . 1 1 69 69 GLY N N 15 0.389 0.007 . . . . . 15255 1 59 . 1 1 70 70 LYS N N 15 0.469 0.006 . . . . . 15255 1 60 . 1 1 71 71 ASP N N 15 0.506 0.013 . . . . . 15255 1 61 . 1 1 72 72 VAL N N 15 0.510 0.007 . . . . . 15255 1 62 . 1 1 73 73 GLU N N 15 0.505 0.008 . . . . . 15255 1 63 . 1 1 74 74 LEU N N 15 0.488 0.006 . . . . . 15255 1 64 . 1 1 75 75 LEU N N 15 0.494 0.010 . . . . . 15255 1 65 . 1 1 76 76 ASP N N 15 0.399 0.008 . . . . . 15255 1 66 . 1 1 77 77 ASP N N 15 0.386 0.008 . . . . . 15255 1 67 . 1 1 78 78 LEU N N 15 0.468 0.009 . . . . . 15255 1 68 . 1 1 79 79 ALA N N 15 0.438 0.005 . . . . . 15255 1 69 . 1 1 80 80 HIS N N 15 0.409 0.005 . . . . . 15255 1 70 . 1 1 81 81 THR N N 15 0.469 0.009 . . . . . 15255 1 71 . 1 1 82 82 ILE N N 15 0.463 0.007 . . . . . 15255 1 72 . 1 1 84 84 ILE N N 15 0.458 0.006 . . . . . 15255 1 73 . 1 1 85 85 GLU N N 15 0.475 0.007 . . . . . 15255 1 74 . 1 1 86 86 GLU N N 15 0.500 0.006 . . . . . 15255 1 75 . 1 1 87 87 LEU N N 15 0.500 0.006 . . . . . 15255 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 15255 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 720 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _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 '15N T1' . . . 15255 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 6 6 ALA N N 15 0.502 0.080 . . . . . 15255 2 2 . 1 1 8 8 ALA N N 15 0.506 0.057 . . . . . 15255 2 3 . 1 1 10 10 GLY N N 15 0.509 0.052 . . . . . 15255 2 4 . 1 1 11 11 THR N N 15 0.520 0.052 . . . . . 15255 2 5 . 1 1 12 12 ARG N N 15 0.491 0.038 . . . . . 15255 2 6 . 1 1 13 13 VAL N N 15 0.535 0.044 . . . . . 15255 2 7 . 1 1 14 14 ILE N N 15 0.530 0.036 . . . . . 15255 2 8 . 1 1 15 15 ASP N N 15 0.523 0.042 . . . . . 15255 2 9 . 1 1 16 16 ALA N N 15 0.568 0.045 . . . . . 15255 2 10 . 1 1 18 18 THR N N 15 0.477 0.037 . . . . . 15255 2 11 . 1 1 19 19 SER N N 15 0.428 0.045 . . . . . 15255 2 12 . 1 1 20 20 MET N N 15 0.478 0.046 . . . . . 15255 2 13 . 1 1 22 22 ARG N N 15 0.523 0.043 . . . . . 15255 2 14 . 1 1 23 23 LYS N N 15 0.553 0.039 . . . . . 15255 2 15 . 1 1 24 24 VAL N N 15 0.579 0.048 . . . . . 15255 2 16 . 1 1 25 25 ARG N N 15 0.551 0.031 . . . . . 15255 2 17 . 1 1 26 26 ILE N N 15 0.554 0.042 . . . . . 15255 2 18 . 1 1 27 27 VAL N N 15 0.533 0.039 . . . . . 15255 2 19 . 1 1 29 29 ILE N N 15 0.537 0.041 . . . . . 15255 2 20 . 1 1 30 30 ASN N N 15 0.510 0.079 . . . . . 15255 2 21 . 1 1 31 31 GLU N N 15 0.477 0.050 . . . . . 15255 2 22 . 1 1 32 32 ILE N N 15 0.531 0.048 . . . . . 15255 2 23 . 1 1 33 33 PHE N N 15 0.481 0.051 . . . . . 15255 2 24 . 1 1 34 34 GLN N N 15 0.445 0.045 . . . . . 15255 2 25 . 1 1 35 35 VAL N N 15 0.519 0.049 . . . . . 15255 2 26 . 1 1 36 36 GLU N N 15 0.479 0.042 . . . . . 15255 2 27 . 1 1 37 37 THR N N 15 0.474 0.044 . . . . . 15255 2 28 . 1 1 38 38 ASP N N 15 0.405 0.040 . . . . . 15255 2 29 . 1 1 39 39 GLN N N 15 0.447 0.045 . . . . . 15255 2 30 . 1 1 40 40 PHE N N 15 0.464 0.037 . . . . . 15255 2 31 . 1 1 41 41 THR N N 15 0.418 0.033 . . . . . 15255 2 32 . 1 1 42 42 GLN N N 15 0.449 0.037 . . . . . 15255 2 33 . 1 1 43 43 LEU N N 15 0.538 0.045 . . . . . 15255 2 34 . 1 1 44 44 LEU N N 15 0.561 0.044 . . . . . 15255 2 35 . 1 1 45 45 ASP N N 15 0.538 0.036 . . . . . 15255 2 36 . 1 1 46 46 ALA N N 15 0.560 0.047 . . . . . 15255 2 37 . 1 1 47 47 ASP N N 15 0.514 0.033 . . . . . 15255 2 38 . 1 1 48 48 ILE N N 15 0.567 0.046 . . . . . 15255 2 39 . 1 1 49 49 ARG N N 15 0.532 0.049 . . . . . 15255 2 40 . 1 1 50 50 VAL N N 15 0.554 0.044 . . . . . 15255 2 41 . 1 1 51 51 GLY N N 15 0.540 0.034 . . . . . 15255 2 42 . 1 1 52 52 SER N N 15 0.516 0.032 . . . . . 15255 2 43 . 1 1 53 53 GLU N N 15 0.552 0.043 . . . . . 15255 2 44 . 1 1 54 54 VAL N N 15 0.605 0.044 . . . . . 15255 2 45 . 1 1 55 55 GLU N N 15 0.585 0.046 . . . . . 15255 2 46 . 1 1 56 56 ILE N N 15 0.553 0.038 . . . . . 15255 2 47 . 1 1 57 57 VAL N N 15 0.547 0.042 . . . . . 15255 2 48 . 1 1 58 58 ASP N N 15 0.533 0.043 . . . . . 15255 2 49 . 1 1 59 59 ARG N N 15 0.585 0.054 . . . . . 15255 2 50 . 1 1 60 60 ASP N N 15 0.435 0.056 . . . . . 15255 2 51 . 1 1 61 61 GLY N N 15 0.528 0.038 . . . . . 15255 2 52 . 1 1 62 62 HIS N N 15 0.567 0.049 . . . . . 15255 2 53 . 1 1 63 63 ILE N N 15 0.563 0.059 . . . . . 15255 2 54 . 1 1 64 64 THR N N 15 0.533 0.048 . . . . . 15255 2 55 . 1 1 65 65 LEU N N 15 0.555 0.043 . . . . . 15255 2 56 . 1 1 66 66 SER N N 15 0.584 0.048 . . . . . 15255 2 57 . 1 1 67 67 HIS N N 15 0.495 0.033 . . . . . 15255 2 58 . 1 1 69 69 GLY N N 15 0.425 0.040 . . . . . 15255 2 59 . 1 1 70 70 LYS N N 15 0.539 0.045 . . . . . 15255 2 60 . 1 1 71 71 ASP N N 15 0.595 0.059 . . . . . 15255 2 61 . 1 1 72 72 VAL N N 15 0.610 0.045 . . . . . 15255 2 62 . 1 1 73 73 GLU N N 15 0.605 0.054 . . . . . 15255 2 63 . 1 1 74 74 LEU N N 15 0.576 0.042 . . . . . 15255 2 64 . 1 1 75 75 LEU N N 15 0.579 0.047 . . . . . 15255 2 65 . 1 1 76 76 ASP N N 15 0.444 0.048 . . . . . 15255 2 66 . 1 1 77 77 ASP N N 15 0.418 0.038 . . . . . 15255 2 67 . 1 1 78 78 LEU N N 15 0.550 0.050 . . . . . 15255 2 68 . 1 1 79 79 ALA N N 15 0.509 0.038 . . . . . 15255 2 69 . 1 1 80 80 HIS N N 15 0.465 0.040 . . . . . 15255 2 70 . 1 1 81 81 THR N N 15 0.536 0.046 . . . . . 15255 2 71 . 1 1 82 82 ILE N N 15 0.541 0.046 . . . . . 15255 2 72 . 1 1 84 84 ILE N N 15 0.534 0.043 . . . . . 15255 2 73 . 1 1 85 85 GLU N N 15 0.559 0.044 . . . . . 15255 2 74 . 1 1 86 86 GLU N N 15 0.594 0.050 . . . . . 15255 2 75 . 1 1 87 87 LEU N N 15 0.589 0.051 . . . . . 15255 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 15255 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _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 3 '15N T2' . . . 15255 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 6 6 ALA N N 15 0.338 0.112 . . . . . . . 15255 1 2 . 1 1 8 8 ALA N N 15 0.286 0.069 . . . . . . . 15255 1 3 . 1 1 10 10 GLY N N 15 0.156 0.019 . . . . . . . 15255 1 4 . 1 1 11 11 THR N N 15 0.125 0.009 . . . . . . . 15255 1 5 . 1 1 12 12 ARG N N 15 0.147 0.016 . . . . . . . 15255 1 6 . 1 1 13 13 VAL N N 15 0.148 0.013 . . . . . . . 15255 1 7 . 1 1 14 14 ILE N N 15 0.081 0.004 . . . . . . . 15255 1 8 . 1 1 15 15 ASP N N 15 0.106 0.007 . . . . . . . 15255 1 9 . 1 1 16 16 ALA N N 15 0.139 0.012 . . . . . . . 15255 1 10 . 1 1 18 18 THR N N 15 0.142 0.010 . . . . . . . 15255 1 11 . 1 1 19 19 SER N N 15 0.126 0.011 . . . . . . . 15255 1 12 . 1 1 20 20 MET N N 15 0.150 0.016 . . . . . . . 15255 1 13 . 1 1 22 22 ARG N N 15 0.142 0.014 . . . . . . . 15255 1 14 . 1 1 23 23 LYS N N 15 0.160 0.017 . . . . . . . 15255 1 15 . 1 1 24 24 VAL N N 15 0.133 0.011 . . . . . . . 15255 1 16 . 1 1 25 25 ARG N N 15 0.129 0.010 . . . . . . . 15255 1 17 . 1 1 26 26 ILE N N 15 0.153 0.018 . . . . . . . 15255 1 18 . 1 1 27 27 VAL N N 15 0.137 0.012 . . . . . . . 15255 1 19 . 1 1 29 29 ILE N N 15 0.151 0.013 . . . . . . . 15255 1 20 . 1 1 30 30 ASN N N 15 0.327 0.123 . . . . . . . 15255 1 21 . 1 1 31 31 GLU N N 15 0.151 0.014 . . . . . . . 15255 1 22 . 1 1 32 32 ILE N N 15 0.155 0.015 . . . . . . . 15255 1 23 . 1 1 33 33 PHE N N 15 0.159 0.016 . . . . . . . 15255 1 24 . 1 1 34 34 GLN N N 15 0.145 0.011 . . . . . . . 15255 1 25 . 1 1 35 35 VAL N N 15 0.158 0.016 . . . . . . . 15255 1 26 . 1 1 36 36 GLU N N 15 0.150 0.014 . . . . . . . 15255 1 27 . 1 1 37 37 THR N N 15 0.152 0.015 . . . . . . . 15255 1 28 . 1 1 39 39 GLN N N 15 0.155 0.016 . . . . . . . 15255 1 29 . 1 1 40 40 PHE N N 15 0.151 0.016 . . . . . . . 15255 1 30 . 1 1 41 41 THR N N 15 0.147 0.014 . . . . . . . 15255 1 31 . 1 1 42 42 GLN N N 15 0.128 0.009 . . . . . . . 15255 1 32 . 1 1 43 43 LEU N N 15 0.081 0.004 . . . . . . . 15255 1 33 . 1 1 44 44 LEU N N 15 0.141 0.012 . . . . . . . 15255 1 34 . 1 1 45 45 ASP N N 15 0.155 0.018 . . . . . . . 15255 1 35 . 1 1 46 46 ALA N N 15 0.090 0.006 . . . . . . . 15255 1 36 . 1 1 47 47 ASP N N 15 0.104 0.006 . . . . . . . 15255 1 37 . 1 1 48 48 ILE N N 15 0.107 0.006 . . . . . . . 15255 1 38 . 1 1 49 49 ARG N N 15 0.157 0.019 . . . . . . . 15255 1 39 . 1 1 50 50 VAL N N 15 0.153 0.018 . . . . . . . 15255 1 40 . 1 1 51 51 GLY N N 15 0.141 0.011 . . . . . . . 15255 1 41 . 1 1 52 52 SER N N 15 0.135 0.011 . . . . . . . 15255 1 42 . 1 1 53 53 GLU N N 15 0.156 0.017 . . . . . . . 15255 1 43 . 1 1 54 54 VAL N N 15 0.143 0.011 . . . . . . . 15255 1 44 . 1 1 55 55 GLU N N 15 0.137 0.013 . . . . . . . 15255 1 45 . 1 1 56 56 ILE N N 15 0.105 0.007 . . . . . . . 15255 1 46 . 1 1 57 57 VAL N N 15 0.138 0.012 . . . . . . . 15255 1 47 . 1 1 58 58 ASP N N 15 0.153 0.013 . . . . . . . 15255 1 48 . 1 1 59 59 ARG N N 15 0.153 0.014 . . . . . . . 15255 1 49 . 1 1 60 60 ASP N N 15 0.149 0.015 . . . . . . . 15255 1 50 . 1 1 61 61 GLY N N 15 0.160 0.023 . . . . . . . 15255 1 51 . 1 1 62 62 HIS N N 15 0.162 0.017 . . . . . . . 15255 1 52 . 1 1 63 63 ILE N N 15 0.141 0.013 . . . . . . . 15255 1 53 . 1 1 64 64 THR N N 15 0.142 0.013 . . . . . . . 15255 1 54 . 1 1 65 65 LEU N N 15 0.124 0.011 . . . . . . . 15255 1 55 . 1 1 66 66 SER N N 15 0.104 0.006 . . . . . . . 15255 1 56 . 1 1 67 67 HIS N N 15 0.140 0.011 . . . . . . . 15255 1 57 . 1 1 69 69 GLY N N 15 0.134 0.013 . . . . . . . 15255 1 58 . 1 1 70 70 LYS N N 15 0.156 0.019 . . . . . . . 15255 1 59 . 1 1 71 71 ASP N N 15 0.133 0.010 . . . . . . . 15255 1 60 . 1 1 72 72 VAL N N 15 0.151 0.014 . . . . . . . 15255 1 61 . 1 1 73 73 GLU N N 15 0.142 0.013 . . . . . . . 15255 1 62 . 1 1 74 74 LEU N N 15 0.146 0.013 . . . . . . . 15255 1 63 . 1 1 75 75 LEU N N 15 0.162 0.015 . . . . . . . 15255 1 64 . 1 1 76 76 ASP N N 15 0.138 0.011 . . . . . . . 15255 1 65 . 1 1 77 77 ASP N N 15 0.131 0.010 . . . . . . . 15255 1 66 . 1 1 78 78 LEU N N 15 0.140 0.012 . . . . . . . 15255 1 67 . 1 1 79 79 ALA N N 15 0.130 0.010 . . . . . . . 15255 1 68 . 1 1 80 80 HIS N N 15 0.132 0.009 . . . . . . . 15255 1 69 . 1 1 81 81 THR N N 15 0.135 0.011 . . . . . . . 15255 1 70 . 1 1 82 82 ILE N N 15 0.148 0.015 . . . . . . . 15255 1 71 . 1 1 84 84 ILE N N 15 0.117 0.008 . . . . . . . 15255 1 72 . 1 1 85 85 GLU N N 15 0.130 0.010 . . . . . . . 15255 1 73 . 1 1 86 86 GLU N N 15 0.141 0.014 . . . . . . . 15255 1 74 . 1 1 87 87 LEU N N 15 0.158 0.016 . . . . . . . 15255 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 15255 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 720 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _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 3 '15N T2' . . . 15255 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 6 6 ALA N N 15 0.248 0.122 . . . . . . . 15255 2 2 . 1 1 8 8 ALA N N 15 0.215 0.068 . . . . . . . 15255 2 3 . 1 1 10 10 GLY N N 15 0.121 0.014 . . . . . . . 15255 2 4 . 1 1 11 11 THR N N 15 0.096 0.008 . . . . . . . 15255 2 5 . 1 1 12 12 ARG N N 15 0.116 0.010 . . . . . . . 15255 2 6 . 1 1 13 13 VAL N N 15 0.126 0.016 . . . . . . . 15255 2 7 . 1 1 14 14 ILE N N 15 0.062 0.004 . . . . . . . 15255 2 8 . 1 1 15 15 ASP N N 15 0.082 0.005 . . . . . . . 15255 2 9 . 1 1 16 16 ALA N N 15 0.118 0.011 . . . . . . . 15255 2 10 . 1 1 18 18 THR N N 15 0.114 0.012 . . . . . . . 15255 2 11 . 1 1 19 19 SER N N 15 0.099 0.007 . . . . . . . 15255 2 12 . 1 1 20 20 MET N N 15 0.123 0.016 . . . . . . . 15255 2 13 . 1 1 22 22 ARG N N 15 0.117 0.012 . . . . . . . 15255 2 14 . 1 1 23 23 LYS N N 15 0.126 0.017 . . . . . . . 15255 2 15 . 1 1 24 24 VAL N N 15 0.111 0.011 . . . . . . . 15255 2 16 . 1 1 25 25 ARG N N 15 0.105 0.007 . . . . . . . 15255 2 17 . 1 1 26 26 ILE N N 15 0.131 0.015 . . . . . . . 15255 2 18 . 1 1 27 27 VAL N N 15 0.111 0.012 . . . . . . . 15255 2 19 . 1 1 29 29 ILE N N 15 0.124 0.015 . . . . . . . 15255 2 20 . 1 1 30 30 ASN N N 15 0.236 0.108 . . . . . . . 15255 2 21 . 1 1 31 31 GLU N N 15 0.127 0.015 . . . . . . . 15255 2 22 . 1 1 32 32 ILE N N 15 0.120 0.011 . . . . . . . 15255 2 23 . 1 1 33 33 PHE N N 15 0.129 0.018 . . . . . . . 15255 2 24 . 1 1 34 34 GLN N N 15 0.118 0.012 . . . . . . . 15255 2 25 . 1 1 35 35 VAL N N 15 0.120 0.013 . . . . . . . 15255 2 26 . 1 1 36 36 GLU N N 15 0.117 0.012 . . . . . . . 15255 2 27 . 1 1 37 37 THR N N 15 0.118 0.011 . . . . . . . 15255 2 28 . 1 1 38 38 ASP N N 15 0.130 0.020 . . . . . . . 15255 2 29 . 1 1 39 39 GLN N N 15 0.122 0.015 . . . . . . . 15255 2 30 . 1 1 40 40 PHE N N 15 0.119 0.013 . . . . . . . 15255 2 31 . 1 1 41 41 THR N N 15 0.122 0.014 . . . . . . . 15255 2 32 . 1 1 42 42 GLN N N 15 0.096 0.008 . . . . . . . 15255 2 33 . 1 1 43 43 LEU N N 15 0.065 0.005 . . . . . . . 15255 2 34 . 1 1 44 44 LEU N N 15 0.115 0.013 . . . . . . . 15255 2 35 . 1 1 45 45 ASP N N 15 0.125 0.015 . . . . . . . 15255 2 36 . 1 1 46 46 ALA N N 15 0.071 0.005 . . . . . . . 15255 2 37 . 1 1 47 47 ASP N N 15 0.083 0.004 . . . . . . . 15255 2 38 . 1 1 48 48 ILE N N 15 0.084 0.005 . . . . . . . 15255 2 39 . 1 1 49 49 ARG N N 15 0.124 0.018 . . . . . . . 15255 2 40 . 1 1 50 50 VAL N N 15 0.126 0.015 . . . . . . . 15255 2 41 . 1 1 51 51 GLY N N 15 0.113 0.010 . . . . . . . 15255 2 42 . 1 1 52 52 SER N N 15 0.108 0.009 . . . . . . . 15255 2 43 . 1 1 53 53 GLU N N 15 0.123 0.018 . . . . . . . 15255 2 44 . 1 1 54 54 VAL N N 15 0.120 0.013 . . . . . . . 15255 2 45 . 1 1 55 55 GLU N N 15 0.112 0.009 . . . . . . . 15255 2 46 . 1 1 56 56 ILE N N 15 0.084 0.005 . . . . . . . 15255 2 47 . 1 1 57 57 VAL N N 15 0.110 0.011 . . . . . . . 15255 2 48 . 1 1 58 58 ASP N N 15 0.126 0.017 . . . . . . . 15255 2 49 . 1 1 59 59 ARG N N 15 0.124 0.015 . . . . . . . 15255 2 50 . 1 1 60 60 ASP N N 15 0.121 0.011 . . . . . . . 15255 2 51 . 1 1 61 61 GLY N N 15 0.124 0.013 . . . . . . . 15255 2 52 . 1 1 62 62 HIS N N 15 0.128 0.015 . . . . . . . 15255 2 53 . 1 1 63 63 ILE N N 15 0.117 0.014 . . . . . . . 15255 2 54 . 1 1 64 64 THR N N 15 0.116 0.013 . . . . . . . 15255 2 55 . 1 1 65 65 LEU N N 15 0.102 0.009 . . . . . . . 15255 2 56 . 1 1 66 66 SER N N 15 0.085 0.004 . . . . . . . 15255 2 57 . 1 1 67 67 HIS N N 15 0.113 0.010 . . . . . . . 15255 2 58 . 1 1 69 69 GLY N N 15 0.098 0.008 . . . . . . . 15255 2 59 . 1 1 70 70 LYS N N 15 0.125 0.015 . . . . . . . 15255 2 60 . 1 1 71 71 ASP N N 15 0.117 0.013 . . . . . . . 15255 2 61 . 1 1 72 72 VAL N N 15 0.123 0.015 . . . . . . . 15255 2 62 . 1 1 73 73 GLU N N 15 0.119 0.014 . . . . . . . 15255 2 63 . 1 1 74 74 LEU N N 15 0.120 0.012 . . . . . . . 15255 2 64 . 1 1 75 75 LEU N N 15 0.132 0.020 . . . . . . . 15255 2 65 . 1 1 76 76 ASP N N 15 0.112 0.013 . . . . . . . 15255 2 66 . 1 1 77 77 ASP N N 15 0.104 0.008 . . . . . . . 15255 2 67 . 1 1 78 78 LEU N N 15 0.116 0.012 . . . . . . . 15255 2 68 . 1 1 79 79 ALA N N 15 0.101 0.008 . . . . . . . 15255 2 69 . 1 1 80 80 HIS N N 15 0.060 0.006 . . . . . . . 15255 2 70 . 1 1 81 81 THR N N 15 0.103 0.008 . . . . . . . 15255 2 71 . 1 1 82 82 ILE N N 15 0.120 0.015 . . . . . . . 15255 2 72 . 1 1 84 84 ILE N N 15 0.096 0.007 . . . . . . . 15255 2 73 . 1 1 85 85 GLU N N 15 0.105 0.009 . . . . . . . 15255 2 74 . 1 1 86 86 GLU N N 15 0.114 0.011 . . . . . . . 15255 2 75 . 1 1 87 87 LEU N N 15 0.129 0.015 . . . . . . . 15255 2 stop_ save_