data_15254 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15254 _Entry.Title ; Backbone Dynamics of Intramolecular Complex ; _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 'Intramolecular complex of Proline-rich peptide ligand and SH3-like domain from diphtheria toxin repressor.' _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 . . . 15254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 15254 heteronucl_T1_relaxation 2 15254 heteronucl_T1rho_relaxation 1 15254 heteronucl_T2_relaxation 2 15254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'heteronuclear NOE values' 99 15254 'T1 relaxation values' 197 15254 'T1rho relaxation values' 98 15254 'T2 relaxation values' 197 15254 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 . 15254 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15255 SH3 15254 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15254 _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 . . . 15254 1 2 M. Yi . . . 15254 1 3 H. Zhou . X. . 15254 1 4 T. Logan . M. . 15254 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15254 _Assembly.ID 1 _Assembly.Name PrSH3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 $PrSH3 A . yes native no no . . . 15254 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 1QW1 . . 'solution NMR' . . . 15254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PrSH3 _Entity.Sf_category entity _Entity.Sf_framecode PrSH3 _Entity.Entry_ID 15254 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PrSH3 _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 ; GSHMDEVERRLVKVLKDVSR SPFGNPIPGLDELGVGNSDA AAPGTRVIDAATSMPRKVRI VQINEIFQVETDQFTQLLDA DIRVGSEVEIVDRDGHITLS HNGKDVELLDDLAHTIRIEE L ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 15255 . SH3 . . . . . 68.60 87 100.00 100.00 2.34e-49 . . . . 15254 1 2 no BMRB 4183 . "DtxR subunit 3, C-terminal domain" . . . . . 80.17 109 100.00 100.00 2.74e-60 . . . . 15254 1 3 no PDB 1BI0 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 4 no PDB 1BI1 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 5 no PDB 1BI2 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 6 no PDB 1BI3 . "Structure Of Apo-And Holo-Diphtheria Toxin Repressor" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 7 no PDB 1BYM . "Solution Structures Of The C-Terminal Domain Of Diphtheria Toxin Repressor" . . . . . 80.17 97 100.00 100.00 1.88e-60 . . . . 15254 1 8 no PDB 1C0W . "Crystal Structure Of The Cobalt-Activated Diphtheria Toxin Repressor-Dna Complex Reveals A Metal Binding Sh-Like Domain" . . . . . 96.69 225 100.00 100.00 8.24e-75 . . . . 15254 1 9 no PDB 1DDN . "Diphtheria Tox Repressor (C102d Mutant)TOX DNA OPERATOR Complex" . . . . . 96.69 226 100.00 100.00 7.72e-75 . . . . 15254 1 10 no PDB 1DPR . "Structures Of The Apo-And Metal Ion Activated Forms Of The Diphtheria Tox Repressor From Corynebacterium Diphtheriae" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 11 no PDB 1FWZ . "Glu20ala Dtxr" . . . . . 96.69 226 100.00 100.00 6.55e-75 . . . . 15254 1 12 no PDB 1G3S . "Cys102ser Dtxr" . . . . . 96.69 226 100.00 100.00 6.63e-75 . . . . 15254 1 13 no PDB 1G3T . "Cys102ser Dtxr" . . . . . 96.69 226 100.00 100.00 6.63e-75 . . . . 15254 1 14 no PDB 1G3W . "Cd-Cys102ser Dtxr" . . . . . 96.69 226 100.00 100.00 6.63e-75 . . . . 15254 1 15 no PDB 1G3Y . "Arg80ala Dtxr" . . . . . 96.69 226 100.00 100.00 6.63e-75 . . . . 15254 1 16 no PDB 1P92 . "Crystal Structure Of (H79a)dtxr" . . . . . 96.69 226 100.00 100.00 5.69e-75 . . . . 15254 1 17 no PDB 1QVP . "C Terminal Sh3-Like Domain From Diphtheria Toxin Repressor Residues 144-226" . . . . . 68.60 87 100.00 100.00 2.34e-49 . . . . 15254 1 18 no PDB 1QW1 . "Solution Structure Of The C-Terminal Domain Of Dtxr Residues 110-226" . . . . . 100.00 121 100.00 100.00 7.12e-79 . . . . 15254 1 19 no PDB 2DTR . "Structure Of Diphtheria Toxin Repressor" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 20 no PDB 2QQ9 . "Crystal Structure Of Dtxr(D6a C102d) Complexed With Nickel(Ii)" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 21 no PDB 2QQA . "Crystal Structure Of Dtxr(E9a C102d) Complexed With Nickel(Ii)" . . . . . 96.69 226 100.00 100.00 7.55e-75 . . . . 15254 1 22 no PDB 2QQB . "Crystal Structure Of Dtxr(m10a C102d) Complexed With Nickel(ii)" . . . . . 96.69 226 100.00 100.00 9.18e-75 . . . . 15254 1 23 no PDB 2TDX . "Diphtheria Tox Repressor (C102d Mutant) Complexed With Nickel" . . . . . 96.69 226 100.00 100.00 7.72e-75 . . . . 15254 1 24 no PDB 3GLX . "Crystal Structure Analysis Of The Dtxr(E175k) Complexed With Ni(Ii)" . . . . . 96.69 226 98.29 99.15 1.55e-73 . . . . 15254 1 25 no EMBL CAE49945 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 98.29 99.15 9.83e-74 . . . . 15254 1 26 no EMBL CCG27916 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 95.87 235 99.14 100.00 2.08e-73 . . . . 15254 1 27 no EMBL CCG27917 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 28 no EMBL CCG27918 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 29 no EMBL CCG27919 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 30 no GB AAA23296 . "toxin repressor protein (dtxR) [Corynebacterium diphtheriae]" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 31 no GB AAA23299 . "diphtheria toxin repressor [Corynebacterium diphtheriae PW8]" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 32 no GB AAA23301 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 100.00 100.00 7.31e-75 . . . . 15254 1 33 no GB AAU93781 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 98.29 98.29 7.42e-73 . . . . 15254 1 34 no GB AAU93782 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 98.29 99.15 2.79e-73 . . . . 15254 1 35 no REF WP_003851803 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 36 no REF WP_010935052 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 98.29 99.15 9.83e-74 . . . . 15254 1 37 no REF WP_014316797 . "diphtheria toxin repressor [Corynebacterium diphtheriae]" . . . . . 96.69 226 99.15 100.00 2.44e-74 . . . . 15254 1 38 no REF WP_014320173 . "dihydrofolate reductase [Corynebacterium diphtheriae]" . . . . . 96.69 226 99.15 99.15 6.09e-74 . . . . 15254 1 39 no SP H2I233 . "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" . . . . . 96.69 226 100.00 100.00 6.21e-75 . . . . 15254 1 40 no SP P0DJL7 . "RecName: Full=Diphtheria toxin repressor; AltName: Full=Iron-dependent diphtheria tox regulatory element; AltName: Full=Tox reg" . . . . . 96.69 226 98.29 99.15 9.83e-74 . . . . 15254 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 1 106 GLY . 15254 1 2 107 SER . 15254 1 3 108 HIS . 15254 1 4 109 MET . 15254 1 5 110 ASP . 15254 1 6 111 GLU . 15254 1 7 112 VAL . 15254 1 8 113 GLU . 15254 1 9 114 ARG . 15254 1 10 115 ARG . 15254 1 11 116 LEU . 15254 1 12 117 VAL . 15254 1 13 118 LYS . 15254 1 14 119 VAL . 15254 1 15 120 LEU . 15254 1 16 121 LYS . 15254 1 17 122 ASP . 15254 1 18 123 VAL . 15254 1 19 124 SER . 15254 1 20 125 ARG . 15254 1 21 126 SER . 15254 1 22 127 PRO . 15254 1 23 128 PHE . 15254 1 24 129 GLY . 15254 1 25 130 ASN . 15254 1 26 131 PRO . 15254 1 27 132 ILE . 15254 1 28 133 PRO . 15254 1 29 134 GLY . 15254 1 30 135 LEU . 15254 1 31 136 ASP . 15254 1 32 137 GLU . 15254 1 33 138 LEU . 15254 1 34 139 GLY . 15254 1 35 140 VAL . 15254 1 36 141 GLY . 15254 1 37 142 ASN . 15254 1 38 143 SER . 15254 1 39 144 ASP . 15254 1 40 145 ALA . 15254 1 41 146 ALA . 15254 1 42 147 ALA . 15254 1 43 148 PRO . 15254 1 44 149 GLY . 15254 1 45 150 THR . 15254 1 46 151 ARG . 15254 1 47 152 VAL . 15254 1 48 153 ILE . 15254 1 49 154 ASP . 15254 1 50 155 ALA . 15254 1 51 156 ALA . 15254 1 52 157 THR . 15254 1 53 158 SER . 15254 1 54 159 MET . 15254 1 55 160 PRO . 15254 1 56 161 ARG . 15254 1 57 162 LYS . 15254 1 58 163 VAL . 15254 1 59 164 ARG . 15254 1 60 165 ILE . 15254 1 61 166 VAL . 15254 1 62 167 GLN . 15254 1 63 168 ILE . 15254 1 64 169 ASN . 15254 1 65 170 GLU . 15254 1 66 171 ILE . 15254 1 67 172 PHE . 15254 1 68 173 GLN . 15254 1 69 174 VAL . 15254 1 70 175 GLU . 15254 1 71 176 THR . 15254 1 72 177 ASP . 15254 1 73 178 GLN . 15254 1 74 179 PHE . 15254 1 75 180 THR . 15254 1 76 181 GLN . 15254 1 77 182 LEU . 15254 1 78 183 LEU . 15254 1 79 184 ASP . 15254 1 80 185 ALA . 15254 1 81 186 ASP . 15254 1 82 187 ILE . 15254 1 83 188 ARG . 15254 1 84 189 VAL . 15254 1 85 190 GLY . 15254 1 86 191 SER . 15254 1 87 192 GLU . 15254 1 88 193 VAL . 15254 1 89 194 GLU . 15254 1 90 195 ILE . 15254 1 91 196 VAL . 15254 1 92 197 ASP . 15254 1 93 198 ARG . 15254 1 94 199 ASP . 15254 1 95 200 GLY . 15254 1 96 201 HIS . 15254 1 97 202 ILE . 15254 1 98 203 THR . 15254 1 99 204 LEU . 15254 1 100 205 SER . 15254 1 101 206 HIS . 15254 1 102 207 ASN . 15254 1 103 208 GLY . 15254 1 104 209 LYS . 15254 1 105 210 ASP . 15254 1 106 211 VAL . 15254 1 107 212 GLU . 15254 1 108 213 LEU . 15254 1 109 214 LEU . 15254 1 110 215 ASP . 15254 1 111 216 ASP . 15254 1 112 217 LEU . 15254 1 113 218 ALA . 15254 1 114 219 HIS . 15254 1 115 220 THR . 15254 1 116 221 ILE . 15254 1 117 222 ARG . 15254 1 118 223 ILE . 15254 1 119 224 GLU . 15254 1 120 225 GLU . 15254 1 121 226 LEU . 15254 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 15254 1 . SER 2 2 15254 1 . HIS 3 3 15254 1 . MET 4 4 15254 1 . ASP 5 5 15254 1 . GLU 6 6 15254 1 . VAL 7 7 15254 1 . GLU 8 8 15254 1 . ARG 9 9 15254 1 . ARG 10 10 15254 1 . LEU 11 11 15254 1 . VAL 12 12 15254 1 . LYS 13 13 15254 1 . VAL 14 14 15254 1 . LEU 15 15 15254 1 . LYS 16 16 15254 1 . ASP 17 17 15254 1 . VAL 18 18 15254 1 . SER 19 19 15254 1 . ARG 20 20 15254 1 . SER 21 21 15254 1 . PRO 22 22 15254 1 . PHE 23 23 15254 1 . GLY 24 24 15254 1 . ASN 25 25 15254 1 . PRO 26 26 15254 1 . ILE 27 27 15254 1 . PRO 28 28 15254 1 . GLY 29 29 15254 1 . LEU 30 30 15254 1 . ASP 31 31 15254 1 . GLU 32 32 15254 1 . LEU 33 33 15254 1 . GLY 34 34 15254 1 . VAL 35 35 15254 1 . GLY 36 36 15254 1 . ASN 37 37 15254 1 . SER 38 38 15254 1 . ASP 39 39 15254 1 . ALA 40 40 15254 1 . ALA 41 41 15254 1 . ALA 42 42 15254 1 . PRO 43 43 15254 1 . GLY 44 44 15254 1 . THR 45 45 15254 1 . ARG 46 46 15254 1 . VAL 47 47 15254 1 . ILE 48 48 15254 1 . ASP 49 49 15254 1 . ALA 50 50 15254 1 . ALA 51 51 15254 1 . THR 52 52 15254 1 . SER 53 53 15254 1 . MET 54 54 15254 1 . PRO 55 55 15254 1 . ARG 56 56 15254 1 . LYS 57 57 15254 1 . VAL 58 58 15254 1 . ARG 59 59 15254 1 . ILE 60 60 15254 1 . VAL 61 61 15254 1 . GLN 62 62 15254 1 . ILE 63 63 15254 1 . ASN 64 64 15254 1 . GLU 65 65 15254 1 . ILE 66 66 15254 1 . PHE 67 67 15254 1 . GLN 68 68 15254 1 . VAL 69 69 15254 1 . GLU 70 70 15254 1 . THR 71 71 15254 1 . ASP 72 72 15254 1 . GLN 73 73 15254 1 . PHE 74 74 15254 1 . THR 75 75 15254 1 . GLN 76 76 15254 1 . LEU 77 77 15254 1 . LEU 78 78 15254 1 . ASP 79 79 15254 1 . ALA 80 80 15254 1 . ASP 81 81 15254 1 . ILE 82 82 15254 1 . ARG 83 83 15254 1 . VAL 84 84 15254 1 . GLY 85 85 15254 1 . SER 86 86 15254 1 . GLU 87 87 15254 1 . VAL 88 88 15254 1 . GLU 89 89 15254 1 . ILE 90 90 15254 1 . VAL 91 91 15254 1 . ASP 92 92 15254 1 . ARG 93 93 15254 1 . ASP 94 94 15254 1 . GLY 95 95 15254 1 . HIS 96 96 15254 1 . ILE 97 97 15254 1 . THR 98 98 15254 1 . LEU 99 99 15254 1 . SER 100 100 15254 1 . HIS 101 101 15254 1 . ASN 102 102 15254 1 . GLY 103 103 15254 1 . LYS 104 104 15254 1 . ASP 105 105 15254 1 . VAL 106 106 15254 1 . GLU 107 107 15254 1 . LEU 108 108 15254 1 . LEU 109 109 15254 1 . ASP 110 110 15254 1 . ASP 111 111 15254 1 . LEU 112 112 15254 1 . ALA 113 113 15254 1 . HIS 114 114 15254 1 . THR 115 115 15254 1 . ILE 116 116 15254 1 . ARG 117 117 15254 1 . ILE 118 118 15254 1 . GLU 119 119 15254 1 . GLU 120 120 15254 1 . LEU 121 121 15254 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 15254 _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 $PrSH3 . 1717 organism . 'Corynebacterium diphtheriae' 'Corynebacterium diphtheriae' . . Bacteria . Corynebacterium diphtheriae . . . . . . . . . . . . . . . . . . . . . 15254 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 15254 _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 $PrSH3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-15b . . . . . . 15254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15254 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'recombinant protein' _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 PrSH3 [U-15N] . . 1 $PrSH3 . . 0.8 . . mM . . . . 15254 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15254 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15254 1 4 'K Phos' 'natural abundance' . . . . . . 50 . . mM . . . . 15254 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 15254 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM K Phos pH 6.5' 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' 50 . mM 15254 1 pH 6.5 . pH 15254 1 pressure 1 . atm 15254 1 temperature 303 . K 15254 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15254 _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' . . 15254 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15254 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 15254 _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 15254 _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 15254 _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 . . . 15254 1 2 spectrometer_2 Varian INOVA . 720 . . . 15254 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 15254 _Experiment_list.ID 1 _Experiment_list.Details 'used proteinpack gNhsqc sequence for R1, R2, and R1rho; used gNnoe for heteronuclear NOE' 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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15254 1 2 '15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15254 1 3 '15N T1rho' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15254 1 4 'Het NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15254 1 5 '15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15254 1 6 '15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15254 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 15254 _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 _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 4 'Het NOE' . . . 15254 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 7 7 VAL N N 15 . 1 1 7 7 VAL H H 1 -0.187 0.007 . . . . . . . . . . 15254 1 2 . 1 1 10 10 ARG N N 15 . 1 1 10 10 ARG H H 1 0.124 0.010 . . . . . . . . . . 15254 1 3 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.103 0.010 . . . . . . . . . . 15254 1 4 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.056 0.017 . . . . . . . . . . 15254 1 5 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.125 0.010 . . . . . . . . . . 15254 1 6 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 -0.057 0.014 . . . . . . . . . . 15254 1 7 . 1 1 17 17 ASP N N 15 . 1 1 17 17 ASP H H 1 -0.472 0.010 . . . . . . . . . . 15254 1 8 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 0.213 0.009 . . . . . . . . . . 15254 1 9 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 -0.331 0.016 . . . . . . . . . . 15254 1 10 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 -0.102 0.016 . . . . . . . . . . 15254 1 11 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 -0.142 0.024 . . . . . . . . . . 15254 1 12 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 -0.040 0.020 . . . . . . . . . . 15254 1 13 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 -0.250 0.007 . . . . . . . . . . 15254 1 14 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 -0.002 0.011 . . . . . . . . . . 15254 1 15 . 1 1 30 30 LEU N N 15 . 1 1 30 30 LEU H H 1 0.040 0.006 . . . . . . . . . . 15254 1 16 . 1 1 31 31 ASP N N 15 . 1 1 31 31 ASP H H 1 0.028 0.008 . . . . . . . . . . 15254 1 17 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 -0.263 0.004 . . . . . . . . . . 15254 1 18 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 -0.024 0.007 . . . . . . . . . . 15254 1 19 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 -0.296 0.009 . . . . . . . . . . 15254 1 20 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 -0.358 0.008 . . . . . . . . . . 15254 1 21 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 -0.254 0.011 . . . . . . . . . . 15254 1 22 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 -0.022 0.015 . . . . . . . . . . 15254 1 23 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 -0.290 0.023 . . . . . . . . . . 15254 1 24 . 1 1 39 39 ASP N N 15 . 1 1 39 39 ASP H H 1 -0.028 0.008 . . . . . . . . . . 15254 1 25 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.011 0.009 . . . . . . . . . . 15254 1 26 . 1 1 42 42 ALA N N 15 . 1 1 42 42 ALA H H 1 0.197 0.009 . . . . . . . . . . 15254 1 27 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.614 0.011 . . . . . . . . . . 15254 1 28 . 1 1 45 45 THR N N 15 . 1 1 45 45 THR H H 1 0.736 0.018 . . . . . . . . . . 15254 1 29 . 1 1 46 46 ARG N N 15 . 1 1 46 46 ARG H H 1 0.743 0.016 . . . . . . . . . . 15254 1 30 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.790 0.014 . . . . . . . . . . 15254 1 31 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.773 0.018 . . . . . . . . . . 15254 1 32 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.794 0.019 . . . . . . . . . . 15254 1 33 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.725 0.003 . . . . . . . . . . 15254 1 34 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.764 0.017 . . . . . . . . . . 15254 1 35 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.776 0.013 . . . . . . . . . . 15254 1 36 . 1 1 54 54 MET N N 15 . 1 1 54 54 MET H H 1 0.737 0.010 . . . . . . . . . . 15254 1 37 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.797 0.012 . . . . . . . . . . 15254 1 38 . 1 1 57 57 LYS N N 15 . 1 1 57 57 LYS H H 1 0.755 0.011 . . . . . . . . . . 15254 1 39 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.734 0.013 . . . . . . . . . . 15254 1 40 . 1 1 59 59 ARG N N 15 . 1 1 59 59 ARG H H 1 0.748 0.012 . . . . . . . . . . 15254 1 41 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.752 0.009 . . . . . . . . . . 15254 1 42 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.761 0.017 . . . . . . . . . . 15254 1 43 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.778 0.014 . . . . . . . . . . 15254 1 44 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.601 0.013 . . . . . . . . . . 15254 1 45 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.620 0.008 . . . . . . . . . . 15254 1 46 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.553 0.011 . . . . . . . . . . 15254 1 47 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.216 0.009 . . . . . . . . . . 15254 1 48 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.544 0.010 . . . . . . . . . . 15254 1 49 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.526 0.009 . . . . . . . . . . 15254 1 50 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 0.539 0.010 . . . . . . . . . . 15254 1 51 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.636 0.010 . . . . . . . . . . 15254 1 52 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.412 0.007 . . . . . . . . . . 15254 1 53 . 1 1 74 74 PHE N N 15 . 1 1 74 74 PHE H H 1 0.607 0.010 . . . . . . . . . . 15254 1 54 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 0.704 0.010 . . . . . . . . . . 15254 1 55 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.491 0.007 . . . . . . . . . . 15254 1 56 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.759 0.015 . . . . . . . . . . 15254 1 57 . 1 1 78 78 LEU N N 15 . 1 1 78 78 LEU H H 1 0.731 0.011 . . . . . . . . . . 15254 1 58 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.746 0.008 . . . . . . . . . . 15254 1 59 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.696 0.013 . . . . . . . . . . 15254 1 60 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.721 0.011 . . . . . . . . . . 15254 1 61 . 1 1 82 82 ILE N N 15 . 1 1 82 82 ILE H H 1 0.735 0.011 . . . . . . . . . . 15254 1 62 . 1 1 83 83 ARG N N 15 . 1 1 83 83 ARG H H 1 0.327 0.005 . . . . . . . . . . 15254 1 63 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.781 0.010 . . . . . . . . . . 15254 1 64 . 1 1 85 85 GLY N N 15 . 1 1 85 85 GLY H H 1 0.733 0.013 . . . . . . . . . . 15254 1 65 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.756 0.009 . . . . . . . . . . 15254 1 66 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.739 0.011 . . . . . . . . . . 15254 1 67 . 1 1 88 88 VAL N N 15 . 1 1 88 88 VAL H H 1 0.736 0.013 . . . . . . . . . . 15254 1 68 . 1 1 89 89 GLU N N 15 . 1 1 89 89 GLU H H 1 0.705 0.011 . . . . . . . . . . 15254 1 69 . 1 1 90 90 ILE N N 15 . 1 1 90 90 ILE H H 1 0.763 0.013 . . . . . . . . . . 15254 1 70 . 1 1 91 91 VAL N N 15 . 1 1 91 91 VAL H H 1 0.683 0.010 . . . . . . . . . . 15254 1 71 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.774 0.012 . . . . . . . . . . 15254 1 72 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.698 0.010 . . . . . . . . . . 15254 1 73 . 1 1 94 94 ASP N N 15 . 1 1 94 94 ASP H H 1 0.639 0.012 . . . . . . . . . . 15254 1 74 . 1 1 95 95 GLY N N 15 . 1 1 95 95 GLY H H 1 0.619 0.010 . . . . . . . . . . 15254 1 75 . 1 1 96 96 HIS N N 15 . 1 1 96 96 HIS H H 1 0.660 0.009 . . . . . . . . . . 15254 1 76 . 1 1 97 97 ILE N N 15 . 1 1 97 97 ILE H H 1 0.704 0.014 . . . . . . . . . . 15254 1 77 . 1 1 98 98 THR N N 15 . 1 1 98 98 THR H H 1 0.805 0.013 . . . . . . . . . . 15254 1 78 . 1 1 99 99 LEU N N 15 . 1 1 99 99 LEU H H 1 0.746 0.014 . . . . . . . . . . 15254 1 79 . 1 1 100 100 SER N N 15 . 1 1 100 100 SER H H 1 0.739 0.015 . . . . . . . . . . 15254 1 80 . 1 1 101 101 HIS N N 15 . 1 1 101 101 HIS H H 1 0.795 0.012 . . . . . . . . . . 15254 1 81 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.755 0.012 . . . . . . . . . . 15254 1 82 . 1 1 104 104 LYS N N 15 . 1 1 104 104 LYS H H 1 0.767 0.010 . . . . . . . . . . 15254 1 83 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.481 0.007 . . . . . . . . . . 15254 1 84 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.718 0.013 . . . . . . . . . . 15254 1 85 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.731 0.011 . . . . . . . . . . 15254 1 86 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.747 0.013 . . . . . . . . . . 15254 1 87 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.711 0.013 . . . . . . . . . . 15254 1 88 . 1 1 110 110 ASP N N 15 . 1 1 110 110 ASP H H 1 0.677 0.010 . . . . . . . . . . 15254 1 89 . 1 1 111 111 ASP N N 15 . 1 1 111 111 ASP H H 1 0.783 0.014 . . . . . . . . . . 15254 1 90 . 1 1 112 112 LEU N N 15 . 1 1 112 112 LEU H H 1 0.728 0.010 . . . . . . . . . . 15254 1 91 . 1 1 113 113 ALA N N 15 . 1 1 113 113 ALA H H 1 0.756 0.010 . . . . . . . . . . 15254 1 92 . 1 1 114 114 HIS N N 15 . 1 1 114 114 HIS H H 1 0.722 0.011 . . . . . . . . . . 15254 1 93 . 1 1 115 115 THR N N 15 . 1 1 115 115 THR H H 1 0.723 0.012 . . . . . . . . . . 15254 1 94 . 1 1 116 116 ILE N N 15 . 1 1 116 116 ILE H H 1 0.706 0.011 . . . . . . . . . . 15254 1 95 . 1 1 117 117 ARG N N 15 . 1 1 117 117 ARG H H 1 0.769 0.009 . . . . . . . . . . 15254 1 96 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.768 0.016 . . . . . . . . . . 15254 1 97 . 1 1 119 119 GLU N N 15 . 1 1 119 119 GLU H H 1 0.741 0.014 . . . . . . . . . . 15254 1 98 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.728 0.012 . . . . . . . . . . 15254 1 99 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.643 0.012 . . . . . . . . . . 15254 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 15254 _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' . . . 15254 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 7 7 VAL N N 15 0.579 0.032 . . . . . 15254 1 2 . 1 1 10 10 ARG N N 15 0.470 0.018 . . . . . 15254 1 3 . 1 1 12 12 VAL N N 15 0.540 0.017 . . . . . 15254 1 4 . 1 1 13 13 LYS N N 15 0.487 0.030 . . . . . 15254 1 5 . 1 1 14 14 VAL N N 15 0.525 0.023 . . . . . 15254 1 6 . 1 1 15 15 LEU N N 15 0.521 0.028 . . . . . 15254 1 7 . 1 1 17 17 ASP N N 15 0.514 0.029 . . . . . 15254 1 8 . 1 1 18 18 VAL N N 15 0.533 0.026 . . . . . 15254 1 9 . 1 1 19 19 SER N N 15 0.516 0.025 . . . . . 15254 1 10 . 1 1 23 23 PHE N N 15 0.495 0.022 . . . . . 15254 1 11 . 1 1 24 24 GLY N N 15 0.534 0.045 . . . . . 15254 1 12 . 1 1 25 25 ASN N N 15 0.477 0.021 . . . . . 15254 1 13 . 1 1 27 27 ILE N N 15 0.652 0.034 . . . . . 15254 1 14 . 1 1 29 29 GLY N N 15 0.541 0.030 . . . . . 15254 1 15 . 1 1 30 30 LEU N N 15 0.537 0.019 . . . . . 15254 1 16 . 1 1 31 31 ASP N N 15 0.535 0.025 . . . . . 15254 1 17 . 1 1 32 32 GLU N N 15 0.544 0.029 . . . . . 15254 1 18 . 1 1 33 33 LEU N N 15 0.562 0.027 . . . . . 15254 1 19 . 1 1 34 34 GLY N N 15 0.548 0.031 . . . . . 15254 1 20 . 1 1 35 35 VAL N N 15 0.589 0.029 . . . . . 15254 1 21 . 1 1 36 36 GLY N N 15 0.534 0.036 . . . . . 15254 1 22 . 1 1 37 37 ASN N N 15 0.486 0.027 . . . . . 15254 1 23 . 1 1 38 38 SER N N 15 0.518 0.041 . . . . . 15254 1 24 . 1 1 39 39 ASP N N 15 0.530 0.022 . . . . . 15254 1 25 . 1 1 40 40 ALA N N 15 0.558 0.035 . . . . . 15254 1 26 . 1 1 42 42 ALA N N 15 0.583 0.043 . . . . . 15254 1 27 . 1 1 44 44 GLY N N 15 0.587 0.026 . . . . . 15254 1 28 . 1 1 45 45 THR N N 15 0.564 0.016 . . . . . 15254 1 29 . 1 1 46 46 ARG N N 15 0.531 0.020 . . . . . 15254 1 30 . 1 1 47 47 VAL N N 15 0.542 0.022 . . . . . 15254 1 31 . 1 1 48 48 ILE N N 15 0.548 0.026 . . . . . 15254 1 32 . 1 1 49 49 ASP N N 15 0.545 0.021 . . . . . 15254 1 33 . 1 1 50 50 ALA N N 15 0.580 0.022 . . . . . 15254 1 34 . 1 1 52 52 THR N N 15 0.511 0.012 . . . . . 15254 1 35 . 1 1 53 53 SER N N 15 0.490 0.023 . . . . . 15254 1 36 . 1 1 54 54 MET N N 15 0.537 0.025 . . . . . 15254 1 37 . 1 1 56 56 ARG N N 15 0.528 0.018 . . . . . 15254 1 38 . 1 1 57 57 LYS N N 15 0.571 0.020 . . . . . 15254 1 39 . 1 1 58 58 VAL N N 15 0.590 0.019 . . . . . 15254 1 40 . 1 1 59 59 ARG N N 15 0.552 0.018 . . . . . 15254 1 41 . 1 1 60 60 ILE N N 15 0.551 0.019 . . . . . 15254 1 42 . 1 1 61 61 VAL N N 15 0.529 0.008 . . . . . 15254 1 43 . 1 1 63 63 ILE N N 15 0.577 0.015 . . . . . 15254 1 44 . 1 1 64 64 ASN N N 15 0.509 0.027 . . . . . 15254 1 45 . 1 1 66 66 ILE N N 15 0.554 0.015 . . . . . 15254 1 46 . 1 1 67 67 PHE N N 15 0.569 0.027 . . . . . 15254 1 47 . 1 1 68 68 GLN N N 15 0.485 0.016 . . . . . 15254 1 48 . 1 1 69 69 VAL N N 15 0.556 0.018 . . . . . 15254 1 49 . 1 1 70 70 GLU N N 15 0.510 0.022 . . . . . 15254 1 50 . 1 1 71 71 THR N N 15 0.519 0.030 . . . . . 15254 1 51 . 1 1 72 72 ASP N N 15 0.475 0.026 . . . . . 15254 1 52 . 1 1 73 73 GLN N N 15 0.483 0.020 . . . . . 15254 1 53 . 1 1 74 74 PHE N N 15 0.495 0.020 . . . . . 15254 1 54 . 1 1 75 75 THR N N 15 0.475 0.017 . . . . . 15254 1 55 . 1 1 76 76 GLN N N 15 0.502 0.017 . . . . . 15254 1 56 . 1 1 77 77 LEU N N 15 0.560 0.018 . . . . . 15254 1 57 . 1 1 78 78 LEU N N 15 0.560 0.024 . . . . . 15254 1 58 . 1 1 79 79 ASP N N 15 0.546 0.018 . . . . . 15254 1 59 . 1 1 80 80 ALA N N 15 0.576 0.026 . . . . . 15254 1 60 . 1 1 81 81 ASP N N 15 0.513 0.018 . . . . . 15254 1 61 . 1 1 82 82 ILE N N 15 0.580 0.024 . . . . . 15254 1 62 . 1 1 83 83 ARG N N 15 0.566 0.031 . . . . . 15254 1 63 . 1 1 84 84 VAL N N 15 0.577 0.025 . . . . . 15254 1 64 . 1 1 85 85 GLY N N 15 0.550 0.014 . . . . . 15254 1 65 . 1 1 86 86 SER N N 15 0.516 0.016 . . . . . 15254 1 66 . 1 1 87 87 GLU N N 15 0.578 0.024 . . . . . 15254 1 67 . 1 1 88 88 VAL N N 15 0.612 0.025 . . . . . 15254 1 68 . 1 1 89 89 GLU N N 15 0.563 0.015 . . . . . 15254 1 69 . 1 1 90 90 ILE N N 15 0.558 0.023 . . . . . 15254 1 70 . 1 1 91 91 VAL N N 15 0.524 0.016 . . . . . 15254 1 71 . 1 1 92 92 ASP N N 15 0.545 0.024 . . . . . 15254 1 72 . 1 1 93 93 ARG N N 15 0.613 0.032 . . . . . 15254 1 73 . 1 1 94 94 ASP N N 15 0.479 0.020 . . . . . 15254 1 74 . 1 1 95 95 GLY N N 15 0.559 0.020 . . . . . 15254 1 75 . 1 1 96 96 HIS N N 15 0.616 0.025 . . . . . 15254 1 76 . 1 1 97 97 ILE N N 15 0.590 0.025 . . . . . 15254 1 77 . 1 1 98 98 THR N N 15 0.549 0.019 . . . . . 15254 1 78 . 1 1 99 99 LEU N N 15 0.568 0.019 . . . . . 15254 1 79 . 1 1 100 100 SER N N 15 0.584 0.020 . . . . . 15254 1 80 . 1 1 101 101 HIS N N 15 0.533 0.011 . . . . . 15254 1 81 . 1 1 103 103 GLY N N 15 0.492 0.014 . . . . . 15254 1 82 . 1 1 104 104 LYS N N 15 0.574 0.021 . . . . . 15254 1 83 . 1 1 105 105 ASP N N 15 0.582 0.035 . . . . . 15254 1 84 . 1 1 106 106 VAL N N 15 0.609 0.019 . . . . . 15254 1 85 . 1 1 107 107 GLU N N 15 0.607 0.026 . . . . . 15254 1 86 . 1 1 108 108 LEU N N 15 0.579 0.020 . . . . . 15254 1 87 . 1 1 109 109 LEU N N 15 0.539 0.047 . . . . . 15254 1 88 . 1 1 110 110 ASP N N 15 0.490 0.020 . . . . . 15254 1 89 . 1 1 111 111 ASP N N 15 0.472 0.015 . . . . . 15254 1 90 . 1 1 112 112 LEU N N 15 0.545 0.018 . . . . . 15254 1 91 . 1 1 113 113 ALA N N 15 0.513 0.010 . . . . . 15254 1 92 . 1 1 114 114 HIS N N 15 0.492 0.016 . . . . . 15254 1 93 . 1 1 115 115 THR N N 15 0.561 0.022 . . . . . 15254 1 94 . 1 1 116 116 ILE N N 15 0.577 0.029 . . . . . 15254 1 95 . 1 1 117 117 ARG N N 15 0.547 0.020 . . . . . 15254 1 96 . 1 1 118 118 ILE N N 15 0.537 0.019 . . . . . 15254 1 97 . 1 1 119 119 GLU N N 15 0.584 0.021 . . . . . 15254 1 98 . 1 1 120 120 GLU N N 15 0.605 0.021 . . . . . 15254 1 99 . 1 1 121 121 LEU N N 15 0.593 0.026 . . . . . 15254 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 15254 _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' . . . 15254 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 7 7 VAL N N 15 0.658 0.049 . . . . . 15254 2 2 . 1 1 10 10 ARG N N 15 0.572 0.026 . . . . . 15254 2 3 . 1 1 12 12 VAL N N 15 0.652 0.048 . . . . . 15254 2 4 . 1 1 13 13 LYS N N 15 0.594 0.034 . . . . . 15254 2 5 . 1 1 14 14 VAL N N 15 0.613 0.031 . . . . . 15254 2 6 . 1 1 15 15 LEU N N 15 0.626 0.037 . . . . . 15254 2 7 . 1 1 17 17 ASP N N 15 0.620 0.032 . . . . . 15254 2 8 . 1 1 18 18 VAL N N 15 0.623 0.031 . . . . . 15254 2 9 . 1 1 19 19 SER N N 15 0.656 0.033 . . . . . 15254 2 10 . 1 1 23 23 PHE N N 15 0.591 0.034 . . . . . 15254 2 11 . 1 1 24 24 GLY N N 15 0.620 0.034 . . . . . 15254 2 12 . 1 1 25 25 ASN N N 15 0.631 0.029 . . . . . 15254 2 13 . 1 1 27 27 ILE N N 15 0.734 0.050 . . . . . 15254 2 14 . 1 1 29 29 GLY N N 15 0.637 0.037 . . . . . 15254 2 15 . 1 1 30 30 LEU N N 15 0.637 0.044 . . . . . 15254 2 16 . 1 1 31 31 ASP N N 15 0.633 0.035 . . . . . 15254 2 17 . 1 1 32 32 GLU N N 15 0.632 0.034 . . . . . 15254 2 18 . 1 1 33 33 LEU N N 15 0.650 0.042 . . . . . 15254 2 19 . 1 1 34 34 GLY N N 15 0.633 0.035 . . . . . 15254 2 20 . 1 1 35 35 VAL N N 15 0.679 0.052 . . . . . 15254 2 21 . 1 1 36 36 GLY N N 15 0.637 0.039 . . . . . 15254 2 22 . 1 1 37 37 ASN N N 15 0.594 0.030 . . . . . 15254 2 23 . 1 1 38 38 SER N N 15 0.695 0.055 . . . . . 15254 2 24 . 1 1 39 39 ASP N N 15 0.714 0.051 . . . . . 15254 2 25 . 1 1 40 40 ALA N N 15 0.663 0.043 . . . . . 15254 2 26 . 1 1 42 42 ALA N N 15 0.725 0.059 . . . . . 15254 2 27 . 1 1 44 44 GLY N N 15 0.739 0.052 . . . . . 15254 2 28 . 1 1 45 45 THR N N 15 0.744 0.058 . . . . . 15254 2 29 . 1 1 46 46 ARG N N 15 0.703 0.042 . . . . . 15254 2 30 . 1 1 47 47 VAL N N 15 0.711 0.046 . . . . . 15254 2 31 . 1 1 48 48 ILE N N 15 0.681 0.044 . . . . . 15254 2 32 . 1 1 49 49 ASP N N 15 0.677 0.036 . . . . . 15254 2 33 . 1 1 50 50 ALA N N 15 0.739 0.051 . . . . . 15254 2 34 . 1 1 52 52 THR N N 15 0.693 0.045 . . . . . 15254 2 35 . 1 1 53 53 SER N N 15 0.651 0.038 . . . . . 15254 2 36 . 1 1 54 54 MET N N 15 0.693 0.045 . . . . . 15254 2 37 . 1 1 56 56 ARG N N 15 0.723 0.056 . . . . . 15254 2 38 . 1 1 57 57 LYS N N 15 0.750 0.055 . . . . . 15254 2 39 . 1 1 58 58 VAL N N 15 0.758 0.057 . . . . . 15254 2 40 . 1 1 59 59 ARG N N 15 0.739 0.049 . . . . . 15254 2 41 . 1 1 60 60 ILE N N 15 0.728 0.054 . . . . . 15254 2 42 . 1 1 61 61 VAL N N 15 0.691 0.044 . . . . . 15254 2 43 . 1 1 63 63 ILE N N 15 0.731 0.046 . . . . . 15254 2 44 . 1 1 64 64 ASN N N 15 0.619 0.031 . . . . . 15254 2 45 . 1 1 66 66 ILE N N 15 0.688 0.039 . . . . . 15254 2 46 . 1 1 68 68 GLN N N 15 0.580 0.029 . . . . . 15254 2 47 . 1 1 69 69 VAL N N 15 0.685 0.040 . . . . . 15254 2 48 . 1 1 70 70 GLU N N 15 0.643 0.037 . . . . . 15254 2 49 . 1 1 71 71 THR N N 15 0.648 0.038 . . . . . 15254 2 50 . 1 1 72 72 ASP N N 15 0.573 0.023 . . . . . 15254 2 51 . 1 1 73 73 GLN N N 15 0.603 0.026 . . . . . 15254 2 52 . 1 1 74 74 PHE N N 15 0.639 0.038 . . . . . 15254 2 53 . 1 1 75 75 THR N N 15 0.608 0.033 . . . . . 15254 2 54 . 1 1 76 76 GLN N N 15 0.622 0.026 . . . . . 15254 2 55 . 1 1 77 77 LEU N N 15 0.698 0.036 . . . . . 15254 2 56 . 1 1 78 78 LEU N N 15 0.706 0.042 . . . . . 15254 2 57 . 1 1 79 79 ASP N N 15 0.707 0.056 . . . . . 15254 2 58 . 1 1 80 80 ALA N N 15 0.731 0.046 . . . . . 15254 2 59 . 1 1 81 81 ASP N N 15 0.663 0.037 . . . . . 15254 2 60 . 1 1 82 82 ILE N N 15 0.713 0.038 . . . . . 15254 2 61 . 1 1 83 83 ARG N N 15 0.688 0.055 . . . . . 15254 2 62 . 1 1 84 84 VAL N N 15 0.743 0.050 . . . . . 15254 2 63 . 1 1 85 85 GLY N N 15 0.718 0.047 . . . . . 15254 2 64 . 1 1 86 86 SER N N 15 0.670 0.045 . . . . . 15254 2 65 . 1 1 87 87 GLU N N 15 0.739 0.040 . . . . . 15254 2 66 . 1 1 88 88 VAL N N 15 0.800 0.056 . . . . . 15254 2 67 . 1 1 89 89 GLU N N 15 0.736 0.052 . . . . . 15254 2 68 . 1 1 90 90 ILE N N 15 0.717 0.041 . . . . . 15254 2 69 . 1 1 91 91 VAL N N 15 0.639 0.045 . . . . . 15254 2 70 . 1 1 92 92 ASP N N 15 0.680 0.036 . . . . . 15254 2 71 . 1 1 93 93 ARG N N 15 0.763 0.054 . . . . . 15254 2 72 . 1 1 94 94 ASP N N 15 0.636 0.038 . . . . . 15254 2 73 . 1 1 95 95 GLY N N 15 0.712 0.046 . . . . . 15254 2 74 . 1 1 96 96 HIS N N 15 0.749 0.049 . . . . . 15254 2 75 . 1 1 97 97 ILE N N 15 0.766 0.050 . . . . . 15254 2 76 . 1 1 98 98 THR N N 15 0.713 0.037 . . . . . 15254 2 77 . 1 1 99 99 LEU N N 15 0.730 0.042 . . . . . 15254 2 78 . 1 1 100 100 SER N N 15 0.773 0.046 . . . . . 15254 2 79 . 1 1 101 101 HIS N N 15 0.696 0.038 . . . . . 15254 2 80 . 1 1 103 103 GLY N N 15 0.651 0.040 . . . . . 15254 2 81 . 1 1 104 104 LYS N N 15 0.728 0.050 . . . . . 15254 2 82 . 1 1 105 105 ASP N N 15 0.629 0.039 . . . . . 15254 2 83 . 1 1 106 106 VAL N N 15 0.809 0.060 . . . . . 15254 2 84 . 1 1 107 107 GLU N N 15 0.788 0.054 . . . . . 15254 2 85 . 1 1 108 108 LEU N N 15 0.746 0.047 . . . . . 15254 2 86 . 1 1 109 109 LEU N N 15 0.727 0.040 . . . . . 15254 2 87 . 1 1 110 110 ASP N N 15 0.631 0.033 . . . . . 15254 2 88 . 1 1 111 111 ASP N N 15 0.617 0.033 . . . . . 15254 2 89 . 1 1 112 112 LEU N N 15 0.701 0.042 . . . . . 15254 2 90 . 1 1 113 113 ALA N N 15 0.656 0.044 . . . . . 15254 2 91 . 1 1 114 114 HIS N N 15 0.648 0.037 . . . . . 15254 2 92 . 1 1 115 115 THR N N 15 0.724 0.051 . . . . . 15254 2 93 . 1 1 116 116 ILE N N 15 0.694 0.036 . . . . . 15254 2 94 . 1 1 117 117 ARG N N 15 0.702 0.042 . . . . . 15254 2 95 . 1 1 118 118 ILE N N 15 0.711 0.038 . . . . . 15254 2 96 . 1 1 119 119 GLU N N 15 0.754 0.045 . . . . . 15254 2 97 . 1 1 120 120 GLU N N 15 0.782 0.055 . . . . . 15254 2 98 . 1 1 121 121 LEU N N 15 0.766 0.055 . . . . . 15254 2 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronuclear_T1rho_list_1 _Heteronucl_T1rho_list.Entry_ID 15254 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 600 _Heteronucl_T1rho_list.Temp_calibration_method . _Heteronucl_T1rho_list.Temp_control_method . _Heteronucl_T1rho_list.T1rho_coherence_type Nz _Heteronucl_T1rho_list.T1rho_val_units s _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 1 '15N T1' . . . 15254 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 7 7 VAL N N 15 0.278 0.197 . . . 1 112 VAL N 15254 1 2 . 1 1 10 10 ARG N N 15 0.180 0.046 . . . 1 115 ARG N 15254 1 3 . 1 1 12 12 VAL N N 15 0.176 0.040 . . . 1 117 VAL N 15254 1 4 . 1 1 13 13 LYS N N 15 0.166 0.033 . . . 1 118 LYS N 15254 1 5 . 1 1 14 14 VAL N N 15 0.192 0.044 . . . 1 119 VAL N 15254 1 6 . 1 1 15 15 LEU N N 15 0.163 0.030 . . . 1 120 LEU N 15254 1 7 . 1 1 17 17 ASP N N 15 0.268 0.129 . . . 1 122 ASP N 15254 1 8 . 1 1 18 18 VAL N N 15 0.197 0.054 . . . 1 123 VAL N 15254 1 9 . 1 1 19 19 SER N N 15 0.302 0.156 . . . 1 124 SER N 15254 1 10 . 1 1 23 23 PHE N N 15 0.232 0.079 . . . 1 128 PHE N 15254 1 11 . 1 1 24 24 GLY N N 15 0.269 0.088 . . . 1 129 GLY N 15254 1 12 . 1 1 25 25 ASN N N 15 0.262 0.107 . . . 1 130 ASN N 15254 1 13 . 1 1 27 27 ILE N N 15 0.300 0.186 . . . 1 132 ILE N 15254 1 14 . 1 1 29 29 GLY N N 15 0.278 0.140 . . . 1 134 GLY N 15254 1 15 . 1 1 30 30 LEU N N 15 0.220 0.061 . . . 1 135 LEU N 15254 1 16 . 1 1 31 31 ASP N N 15 0.283 0.121 . . . 1 136 ASP N 15254 1 17 . 1 1 32 32 GLU N N 15 0.285 0.125 . . . 1 137 GLU N 15254 1 18 . 1 1 33 33 LEU N N 15 0.297 0.182 . . . 1 138 LEU N 15254 1 19 . 1 1 34 34 GLY N N 15 0.309 0.140 . . . 1 139 GLY N 15254 1 20 . 1 1 35 35 VAL N N 15 0.339 0.234 . . . 1 140 VAL N 15254 1 21 . 1 1 36 36 GLY N N 15 0.294 0.126 . . . 1 141 GLY N 15254 1 22 . 1 1 37 37 ASN N N 15 0.224 0.083 . . . 1 142 ASN N 15254 1 23 . 1 1 38 38 SER N N 15 0.310 0.197 . . . 1 143 SER N 15254 1 24 . 1 1 39 39 ASP N N 15 0.211 0.056 . . . 1 144 ASP N 15254 1 25 . 1 1 40 40 ALA N N 15 0.268 0.117 . . . 1 145 ALA N 15254 1 26 . 1 1 42 42 ALA N N 15 0.226 0.067 . . . 1 147 ALA N 15254 1 27 . 1 1 44 44 GLY N N 15 0.146 0.021 . . . 1 149 GLY N 15254 1 28 . 1 1 45 45 THR N N 15 0.099 0.008 . . . 1 150 THR N 15254 1 29 . 1 1 46 46 ARG N N 15 0.112 0.010 . . . 1 151 ARG N 15254 1 30 . 1 1 47 47 VAL N N 15 0.111 0.012 . . . 1 152 VAL N 15254 1 31 . 1 1 48 48 ILE N N 15 0.067 0.005 . . . 1 153 ILE N 15254 1 32 . 1 1 49 49 ASP N N 15 0.089 0.008 . . . 1 154 ASP N 15254 1 33 . 1 1 50 50 ALA N N 15 0.111 0.010 . . . 1 155 ALA N 15254 1 34 . 1 1 52 52 THR N N 15 0.114 0.012 . . . 1 157 THR N 15254 1 35 . 1 1 53 53 SER N N 15 0.104 0.008 . . . 1 158 SER N 15254 1 36 . 1 1 54 54 MET N N 15 0.108 0.009 . . . 1 159 MET N 15254 1 37 . 1 1 56 56 ARG N N 15 0.130 0.015 . . . 1 161 ARG N 15254 1 38 . 1 1 57 57 LYS N N 15 0.122 0.015 . . . 1 162 LYS N 15254 1 39 . 1 1 58 58 VAL N N 15 0.106 0.011 . . . 1 163 VAL N 15254 1 40 . 1 1 59 59 ARG N N 15 0.108 0.011 . . . 1 164 ARG N 15254 1 41 . 1 1 60 60 ILE N N 15 0.113 0.012 . . . 1 165 ILE N 15254 1 42 . 1 1 61 61 VAL N N 15 0.103 0.010 . . . 1 166 VAL N 15254 1 43 . 1 1 63 63 ILE N N 15 0.114 0.014 . . . 1 168 ILE N 15254 1 44 . 1 1 64 64 ASN N N 15 0.105 0.012 . . . 1 169 ASN N 15254 1 45 . 1 1 66 66 ILE N N 15 0.122 0.013 . . . 1 171 ILE N 15254 1 46 . 1 1 68 68 GLN N N 15 0.157 0.032 . . . 1 173 GLN N 15254 1 47 . 1 1 69 69 VAL N N 15 0.124 0.017 . . . 1 174 VAL N 15254 1 48 . 1 1 70 70 GLU N N 15 0.122 0.016 . . . 1 175 GLU N 15254 1 49 . 1 1 71 71 THR N N 15 0.115 0.012 . . . 1 176 THR N 15254 1 50 . 1 1 72 72 ASP N N 15 0.133 0.019 . . . 1 177 ASP N 15254 1 51 . 1 1 73 73 GLN N N 15 0.155 0.028 . . . 1 178 GLN N 15254 1 52 . 1 1 74 74 PHE N N 15 0.116 0.013 . . . 1 179 PHE N 15254 1 53 . 1 1 75 75 THR N N 15 0.116 0.010 . . . 1 180 THR N 15254 1 54 . 1 1 76 76 GLN N N 15 0.138 0.019 . . . 1 181 GLN N 15254 1 55 . 1 1 77 77 LEU N N 15 0.080 0.006 . . . 1 182 LEU N 15254 1 56 . 1 1 78 78 LEU N N 15 0.114 0.013 . . . 1 183 LEU N 15254 1 57 . 1 1 79 79 ASP N N 15 0.119 0.014 . . . 1 184 ASP N 15254 1 58 . 1 1 80 80 ALA N N 15 0.083 0.006 . . . 1 185 ALA N 15254 1 59 . 1 1 81 81 ASP N N 15 0.093 0.008 . . . 1 186 ASP N 15254 1 60 . 1 1 82 82 ILE N N 15 0.092 0.009 . . . 1 187 ILE N 15254 1 61 . 1 1 83 83 ARG N N 15 0.195 0.055 . . . 1 188 ARG N 15254 1 62 . 1 1 84 84 VAL N N 15 0.118 0.015 . . . 1 189 VAL N 15254 1 63 . 1 1 85 85 GLY N N 15 0.116 0.013 . . . 1 190 GLY N 15254 1 64 . 1 1 86 86 SER N N 15 0.106 0.010 . . . 1 191 SER N 15254 1 65 . 1 1 87 87 GLU N N 15 0.120 0.014 . . . 1 192 GLU N 15254 1 66 . 1 1 88 88 VAL N N 15 0.110 0.011 . . . 1 193 VAL N 15254 1 67 . 1 1 89 89 GLU N N 15 0.112 0.011 . . . 1 194 GLU N 15254 1 68 . 1 1 90 90 ILE N N 15 0.092 0.008 . . . 1 195 ILE N 15254 1 69 . 1 1 91 91 VAL N N 15 0.138 0.026 . . . 1 196 VAL N 15254 1 70 . 1 1 92 92 ASP N N 15 0.118 0.015 . . . 1 197 ASP N 15254 1 71 . 1 1 93 93 ARG N N 15 0.123 0.015 . . . 1 198 ARG N 15254 1 72 . 1 1 94 94 ASP N N 15 0.129 0.017 . . . 1 199 ASP N 15254 1 73 . 1 1 95 95 GLY N N 15 0.148 0.030 . . . 1 200 GLY N 15254 1 74 . 1 1 96 96 HIS N N 15 0.126 0.014 . . . 1 201 HIS N 15254 1 75 . 1 1 97 97 ILE N N 15 0.133 0.015 . . . 1 202 ILE N 15254 1 76 . 1 1 98 98 THR N N 15 0.114 0.011 . . . 1 203 THR N 15254 1 77 . 1 1 99 99 LEU N N 15 0.107 0.008 . . . 1 204 LEU N 15254 1 78 . 1 1 100 100 SER N N 15 0.090 0.008 . . . 1 205 SER N 15254 1 79 . 1 1 101 101 HIS N N 15 0.112 0.011 . . . 1 206 HIS N 15254 1 80 . 1 1 103 103 GLY N N 15 0.133 0.018 . . . 1 208 GLY N 15254 1 81 . 1 1 104 104 LYS N N 15 0.115 0.012 . . . 1 209 LYS N 15254 1 82 . 1 1 105 105 ASP N N 15 0.137 0.021 . . . 1 210 ASP N 15254 1 83 . 1 1 106 106 VAL N N 15 0.120 0.012 . . . 1 211 VAL N 15254 1 84 . 1 1 107 107 GLU N N 15 0.128 0.016 . . . 1 212 GLU N 15254 1 85 . 1 1 108 108 LEU N N 15 0.118 0.012 . . . 1 213 LEU N 15254 1 86 . 1 1 109 109 LEU N N 15 0.130 0.015 . . . 1 214 LEU N 15254 1 87 . 1 1 110 110 ASP N N 15 0.108 0.012 . . . 1 215 ASP N 15254 1 88 . 1 1 111 111 ASP N N 15 0.107 0.009 . . . 1 216 ASP N 15254 1 89 . 1 1 112 112 LEU N N 15 0.108 0.010 . . . 1 217 LEU N 15254 1 90 . 1 1 113 113 ALA N N 15 0.091 0.006 . . . 1 218 ALA N 15254 1 91 . 1 1 114 114 HIS N N 15 0.113 0.011 . . . 1 219 HIS N 15254 1 92 . 1 1 115 115 THR N N 15 0.110 0.009 . . . 1 220 THR N 15254 1 93 . 1 1 116 116 ILE N N 15 0.113 0.012 . . . 1 221 ILE N 15254 1 94 . 1 1 117 117 ARG N N 15 0.114 0.012 . . . 1 222 ARG N 15254 1 95 . 1 1 118 118 ILE N N 15 0.107 0.009 . . . 1 223 ILE N 15254 1 96 . 1 1 119 119 GLU N N 15 0.107 0.011 . . . 1 224 GLU N 15254 1 97 . 1 1 120 120 GLU N N 15 0.103 0.011 . . . 1 225 GLU N 15254 1 98 . 1 1 121 121 LEU N N 15 0.125 0.013 . . . 1 226 LEU N 15254 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15254 _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 . _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 1 '15N T1' . . . 15254 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 7 7 VAL N N 15 0.281 0.075 . . . . . . . 15254 1 2 . 1 1 10 10 ARG N N 15 0.185 0.030 . . . . . . . 15254 1 3 . 1 1 12 12 VAL N N 15 0.168 0.028 . . . . . . . 15254 1 4 . 1 1 13 13 LYS N N 15 0.152 0.017 . . . . . . . 15254 1 5 . 1 1 14 14 VAL N N 15 0.196 0.031 . . . . . . . 15254 1 6 . 1 1 15 15 LEU N N 15 0.147 0.015 . . . . . . . 15254 1 7 . 1 1 17 17 ASP N N 15 0.277 0.081 . . . . . . . 15254 1 8 . 1 1 18 18 VAL N N 15 0.186 0.035 . . . . . . . 15254 1 9 . 1 1 19 19 SER N N 15 0.258 0.069 . . . . . . . 15254 1 10 . 1 1 23 23 PHE N N 15 0.236 0.092 . . . . . . . 15254 1 11 . 1 1 24 24 GLY N N 15 0.256 0.063 . . . . . . . 15254 1 12 . 1 1 25 25 ASN N N 15 0.227 0.049 . . . . . . . 15254 1 13 . 1 1 27 27 ILE N N 15 0.322 0.146 . . . . . . . 15254 1 14 . 1 1 29 29 GLY N N 15 0.274 0.068 . . . . . . . 15254 1 15 . 1 1 30 30 LEU N N 15 0.221 0.059 . . . . . . . 15254 1 16 . 1 1 31 31 ASP N N 15 0.285 0.089 . . . . . . . 15254 1 17 . 1 1 32 32 GLU N N 15 0.287 0.107 . . . . . . . 15254 1 18 . 1 1 33 33 LEU N N 15 0.300 0.110 . . . . . . . 15254 1 19 . 1 1 34 34 GLY N N 15 0.301 0.102 . . . . . . . 15254 1 20 . 1 1 35 35 VAL N N 15 0.337 0.179 . . . . . . . 15254 1 21 . 1 1 36 36 GLY N N 15 0.325 0.184 . . . . . . . 15254 1 22 . 1 1 37 37 ASN N N 15 0.222 0.049 . . . . . . . 15254 1 23 . 1 1 38 38 SER N N 15 0.302 0.127 . . . . . . . 15254 1 24 . 1 1 39 39 ASP N N 15 0.183 0.033 . . . . . . . 15254 1 25 . 1 1 40 40 ALA N N 15 0.284 0.129 . . . . . . . 15254 1 26 . 1 1 42 42 ALA N N 15 0.247 0.054 . . . . . . . 15254 1 27 . 1 1 44 44 GLY N N 15 0.125 0.009 . . . . . . . 15254 1 28 . 1 1 45 45 THR N N 15 0.093 0.006 . . . . . . . 15254 1 29 . 1 1 46 46 ARG N N 15 0.109 0.007 . . . . . . . 15254 1 30 . 1 1 47 47 VAL N N 15 0.113 0.009 . . . . . . . 15254 1 31 . 1 1 48 48 ILE N N 15 0.062 0.005 . . . . . . . 15254 1 32 . 1 1 49 49 ASP N N 15 0.081 0.007 . . . . . . . 15254 1 33 . 1 1 50 50 ALA N N 15 0.105 0.009 . . . . . . . 15254 1 34 . 1 1 52 52 THR N N 15 0.107 0.008 . . . . . . . 15254 1 35 . 1 1 53 53 SER N N 15 0.100 0.006 . . . . . . . 15254 1 36 . 1 1 54 54 MET N N 15 0.112 0.009 . . . . . . . 15254 1 37 . 1 1 56 56 ARG N N 15 0.138 0.017 . . . . . . . 15254 1 38 . 1 1 57 57 LYS N N 15 0.124 0.010 . . . . . . . 15254 1 39 . 1 1 58 58 VAL N N 15 0.096 0.006 . . . . . . . 15254 1 40 . 1 1 59 59 ARG N N 15 0.098 0.007 . . . . . . . 15254 1 41 . 1 1 60 60 ILE N N 15 0.116 0.011 . . . . . . . 15254 1 42 . 1 1 61 61 VAL N N 15 0.101 0.010 . . . . . . . 15254 1 43 . 1 1 63 63 ILE N N 15 0.115 0.009 . . . . . . . 15254 1 44 . 1 1 64 64 ASN N N 15 0.110 0.009 . . . . . . . 15254 1 45 . 1 1 66 66 ILE N N 15 0.121 0.013 . . . . . . . 15254 1 46 . 1 1 67 67 PHE N N 15 0.234 0.074 . . . . . . . 15254 1 47 . 1 1 68 68 GLN N N 15 0.161 0.023 . . . . . . . 15254 1 48 . 1 1 69 69 VAL N N 15 0.124 0.011 . . . . . . . 15254 1 49 . 1 1 70 70 GLU N N 15 0.123 0.010 . . . . . . . 15254 1 50 . 1 1 71 71 THR N N 15 0.116 0.011 . . . . . . . 15254 1 51 . 1 1 72 72 ASP N N 15 0.137 0.016 . . . . . . . 15254 1 52 . 1 1 73 73 GLN N N 15 0.164 0.022 . . . . . . . 15254 1 53 . 1 1 74 74 PHE N N 15 0.123 0.012 . . . . . . . 15254 1 54 . 1 1 75 75 THR N N 15 0.122 0.007 . . . . . . . 15254 1 55 . 1 1 76 76 GLN N N 15 0.150 0.018 . . . . . . . 15254 1 56 . 1 1 77 77 LEU N N 15 0.081 0.004 . . . . . . . 15254 1 57 . 1 1 78 78 LEU N N 15 0.115 0.007 . . . . . . . 15254 1 58 . 1 1 79 79 ASP N N 15 0.120 0.011 . . . . . . . 15254 1 59 . 1 1 80 80 ALA N N 15 0.087 0.006 . . . . . . . 15254 1 60 . 1 1 81 81 ASP N N 15 0.094 0.007 . . . . . . . 15254 1 61 . 1 1 82 82 ILE N N 15 0.098 0.008 . . . . . . . 15254 1 62 . 1 1 83 83 ARG N N 15 0.211 0.045 . . . . . . . 15254 1 63 . 1 1 84 84 VAL N N 15 0.123 0.009 . . . . . . . 15254 1 64 . 1 1 85 85 GLY N N 15 0.107 0.011 . . . . . . . 15254 1 65 . 1 1 86 86 SER N N 15 0.106 0.009 . . . . . . . 15254 1 66 . 1 1 87 87 GLU N N 15 0.120 0.008 . . . . . . . 15254 1 67 . 1 1 88 88 VAL N N 15 0.106 0.007 . . . . . . . 15254 1 68 . 1 1 89 89 GLU N N 15 0.108 0.009 . . . . . . . 15254 1 69 . 1 1 90 90 ILE N N 15 0.082 0.006 . . . . . . . 15254 1 70 . 1 1 91 91 VAL N N 15 0.133 0.016 . . . . . . . 15254 1 71 . 1 1 92 92 ASP N N 15 0.120 0.010 . . . . . . . 15254 1 72 . 1 1 93 93 ARG N N 15 0.116 0.008 . . . . . . . 15254 1 73 . 1 1 94 94 ASP N N 15 0.122 0.010 . . . . . . . 15254 1 74 . 1 1 95 95 GLY N N 15 0.128 0.012 . . . . . . . 15254 1 75 . 1 1 96 96 HIS N N 15 0.128 0.010 . . . . . . . 15254 1 76 . 1 1 97 97 ILE N N 15 0.115 0.009 . . . . . . . 15254 1 77 . 1 1 98 98 THR N N 15 0.113 0.009 . . . . . . . 15254 1 78 . 1 1 99 99 LEU N N 15 0.104 0.007 . . . . . . . 15254 1 79 . 1 1 100 100 SER N N 15 0.087 0.006 . . . . . . . 15254 1 80 . 1 1 101 101 HIS N N 15 0.112 0.009 . . . . . . . 15254 1 81 . 1 1 103 103 GLY N N 15 0.106 0.008 . . . . . . . 15254 1 82 . 1 1 104 104 LYS N N 15 0.113 0.008 . . . . . . . 15254 1 83 . 1 1 105 105 ASP N N 15 0.156 0.022 . . . . . . . 15254 1 84 . 1 1 106 106 VAL N N 15 0.118 0.011 . . . . . . . 15254 1 85 . 1 1 107 107 GLU N N 15 0.106 0.007 . . . . . . . 15254 1 86 . 1 1 108 108 LEU N N 15 0.114 0.008 . . . . . . . 15254 1 87 . 1 1 109 109 LEU N N 15 0.134 0.013 . . . . . . . 15254 1 88 . 1 1 110 110 ASP N N 15 0.114 0.011 . . . . . . . 15254 1 89 . 1 1 111 111 ASP N N 15 0.103 0.008 . . . . . . . 15254 1 90 . 1 1 112 112 LEU N N 15 0.106 0.009 . . . . . . . 15254 1 91 . 1 1 113 113 ALA N N 15 0.104 0.008 . . . . . . . 15254 1 92 . 1 1 114 114 HIS N N 15 0.111 0.009 . . . . . . . 15254 1 93 . 1 1 115 115 THR N N 15 0.100 0.006 . . . . . . . 15254 1 94 . 1 1 116 116 ILE N N 15 0.112 0.010 . . . . . . . 15254 1 95 . 1 1 117 117 ARG N N 15 0.108 0.010 . . . . . . . 15254 1 96 . 1 1 118 118 ILE N N 15 0.092 0.006 . . . . . . . 15254 1 97 . 1 1 119 119 GLU N N 15 0.098 0.007 . . . . . . . 15254 1 98 . 1 1 120 120 GLU N N 15 0.104 0.009 . . . . . . . 15254 1 99 . 1 1 121 121 LEU N N 15 0.119 0.011 . . . . . . . 15254 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 15254 _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 . _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 1 '15N T1' . . . 15254 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 7 7 VAL N N 15 0.266 0.111 . . . . . . . 15254 2 2 . 1 1 10 10 ARG N N 15 0.145 0.020 . . . . . . . 15254 2 3 . 1 1 12 12 VAL N N 15 0.146 0.021 . . . . . . . 15254 2 4 . 1 1 13 13 LYS N N 15 0.113 0.013 . . . . . . . 15254 2 5 . 1 1 14 14 VAL N N 15 0.157 0.024 . . . . . . . 15254 2 6 . 1 1 15 15 LEU N N 15 0.100 0.008 . . . . . . . 15254 2 7 . 1 1 17 17 ASP N N 15 0.250 0.094 . . . . . . . 15254 2 8 . 1 1 18 18 VAL N N 15 0.174 0.033 . . . . . . . 15254 2 9 . 1 1 19 19 SER N N 15 0.268 0.119 . . . . . . . 15254 2 10 . 1 1 23 23 PHE N N 15 0.220 0.061 . . . . . . . 15254 2 11 . 1 1 24 24 GLY N N 15 0.237 0.077 . . . . . . . 15254 2 12 . 1 1 25 25 ASN N N 15 0.216 0.072 . . . . . . . 15254 2 13 . 1 1 27 27 ILE N N 15 0.319 0.146 . . . . . . . 15254 2 14 . 1 1 29 29 GLY N N 15 0.260 0.096 . . . . . . . 15254 2 15 . 1 1 30 30 LEU N N 15 0.207 0.060 . . . . . . . 15254 2 16 . 1 1 31 31 ASP N N 15 0.274 0.102 . . . . . . . 15254 2 17 . 1 1 32 32 GLU N N 15 0.275 0.115 . . . . . . . 15254 2 18 . 1 1 33 33 LEU N N 15 0.292 0.139 . . . . . . . 15254 2 19 . 1 1 34 34 GLY N N 15 0.289 0.120 . . . . . . . 15254 2 20 . 1 1 35 35 VAL N N 15 0.325 0.192 . . . . . . . 15254 2 21 . 1 1 36 36 GLY N N 15 0.288 0.142 . . . . . . . 15254 2 22 . 1 1 37 37 ASN N N 15 0.196 0.044 . . . . . . . 15254 2 23 . 1 1 38 38 SER N N 15 0.276 0.140 . . . . . . . 15254 2 24 . 1 1 39 39 ASP N N 15 0.123 0.016 . . . . . . . 15254 2 25 . 1 1 40 40 ALA N N 15 0.268 0.110 . . . . . . . 15254 2 26 . 1 1 42 42 ALA N N 15 0.218 0.064 . . . . . . . 15254 2 27 . 1 1 44 44 GLY N N 15 0.116 0.011 . . . . . . . 15254 2 28 . 1 1 45 45 THR N N 15 0.084 0.006 . . . . . . . 15254 2 29 . 1 1 46 46 ARG N N 15 0.098 0.008 . . . . . . . 15254 2 30 . 1 1 47 47 VAL N N 15 0.106 0.010 . . . . . . . 15254 2 31 . 1 1 48 48 ILE N N 15 0.050 0.004 . . . . . . . 15254 2 32 . 1 1 49 49 ASP N N 15 0.070 0.004 . . . . . . . 15254 2 33 . 1 1 50 50 ALA N N 15 0.096 0.007 . . . . . . . 15254 2 34 . 1 1 52 52 THR N N 15 0.100 0.009 . . . . . . . 15254 2 35 . 1 1 53 53 SER N N 15 0.086 0.006 . . . . . . . 15254 2 36 . 1 1 54 54 MET N N 15 0.101 0.010 . . . . . . . 15254 2 37 . 1 1 56 56 ARG N N 15 0.146 0.021 . . . . . . . 15254 2 38 . 1 1 57 57 LYS N N 15 0.113 0.012 . . . . . . . 15254 2 39 . 1 1 58 58 VAL N N 15 0.093 0.007 . . . . . . . 15254 2 40 . 1 1 59 59 ARG N N 15 0.092 0.007 . . . . . . . 15254 2 41 . 1 1 60 60 ILE N N 15 0.107 0.009 . . . . . . . 15254 2 42 . 1 1 61 61 VAL N N 15 0.091 0.006 . . . . . . . 15254 2 43 . 1 1 63 63 ILE N N 15 0.107 0.009 . . . . . . . 15254 2 44 . 1 1 64 64 ASN N N 15 0.071 0.005 . . . . . . . 15254 2 45 . 1 1 66 66 ILE N N 15 0.107 0.009 . . . . . . . 15254 2 46 . 1 1 68 68 GLN N N 15 0.142 0.021 . . . . . . . 15254 2 47 . 1 1 69 69 VAL N N 15 0.107 0.009 . . . . . . . 15254 2 48 . 1 1 70 70 GLU N N 15 0.105 0.009 . . . . . . . 15254 2 49 . 1 1 71 71 THR N N 15 0.099 0.008 . . . . . . . 15254 2 50 . 1 1 72 72 ASP N N 15 0.111 0.011 . . . . . . . 15254 2 51 . 1 1 73 73 GLN N N 15 0.138 0.021 . . . . . . . 15254 2 52 . 1 1 74 74 PHE N N 15 0.110 0.011 . . . . . . . 15254 2 53 . 1 1 75 75 THR N N 15 0.106 0.009 . . . . . . . 15254 2 54 . 1 1 76 76 GLN N N 15 0.112 0.011 . . . . . . . 15254 2 55 . 1 1 77 77 LEU N N 15 0.065 0.004 . . . . . . . 15254 2 56 . 1 1 78 78 LEU N N 15 0.103 0.009 . . . . . . . 15254 2 57 . 1 1 79 79 ASP N N 15 0.109 0.011 . . . . . . . 15254 2 58 . 1 1 80 80 ALA N N 15 0.070 0.005 . . . . . . . 15254 2 59 . 1 1 81 81 ASP N N 15 0.080 0.005 . . . . . . . 15254 2 60 . 1 1 82 82 ILE N N 15 0.081 0.006 . . . . . . . 15254 2 61 . 1 1 83 83 ARG N N 15 0.196 0.051 . . . . . . . 15254 2 62 . 1 1 84 84 VAL N N 15 0.109 0.011 . . . . . . . 15254 2 63 . 1 1 85 85 GLY N N 15 0.102 0.008 . . . . . . . 15254 2 64 . 1 1 86 86 SER N N 15 0.101 0.009 . . . . . . . 15254 2 65 . 1 1 87 87 GLU N N 15 0.110 0.012 . . . . . . . 15254 2 66 . 1 1 88 88 VAL N N 15 0.100 0.009 . . . . . . . 15254 2 67 . 1 1 89 89 GLU N N 15 0.098 0.008 . . . . . . . 15254 2 68 . 1 1 90 90 ILE N N 15 0.074 0.005 . . . . . . . 15254 2 69 . 1 1 91 91 VAL N N 15 0.165 0.032 . . . . . . . 15254 2 70 . 1 1 92 92 ASP N N 15 0.111 0.011 . . . . . . . 15254 2 71 . 1 1 93 93 ARG N N 15 0.110 0.011 . . . . . . . 15254 2 72 . 1 1 94 94 ASP N N 15 0.113 0.011 . . . . . . . 15254 2 73 . 1 1 95 95 GLY N N 15 0.120 0.012 . . . . . . . 15254 2 74 . 1 1 96 96 HIS N N 15 0.116 0.013 . . . . . . . 15254 2 75 . 1 1 97 97 ILE N N 15 0.104 0.009 . . . . . . . 15254 2 76 . 1 1 98 98 THR N N 15 0.105 0.009 . . . . . . . 15254 2 77 . 1 1 99 99 LEU N N 15 0.091 0.007 . . . . . . . 15254 2 78 . 1 1 100 100 SER N N 15 0.079 0.005 . . . . . . . 15254 2 79 . 1 1 101 101 HIS N N 15 0.103 0.009 . . . . . . . 15254 2 80 . 1 1 103 103 GLY N N 15 0.097 0.008 . . . . . . . 15254 2 81 . 1 1 104 104 LYS N N 15 0.108 0.010 . . . . . . . 15254 2 82 . 1 1 105 105 ASP N N 15 0.208 0.067 . . . . . . . 15254 2 83 . 1 1 106 106 VAL N N 15 0.108 0.009 . . . . . . . 15254 2 84 . 1 1 107 107 GLU N N 15 0.103 0.009 . . . . . . . 15254 2 85 . 1 1 108 108 LEU N N 15 0.103 0.009 . . . . . . . 15254 2 86 . 1 1 109 109 LEU N N 15 0.114 0.012 . . . . . . . 15254 2 87 . 1 1 110 110 ASP N N 15 0.099 0.008 . . . . . . . 15254 2 88 . 1 1 111 111 ASP N N 15 0.094 0.007 . . . . . . . 15254 2 89 . 1 1 112 112 LEU N N 15 0.097 0.007 . . . . . . . 15254 2 90 . 1 1 113 113 ALA N N 15 0.089 0.007 . . . . . . . 15254 2 91 . 1 1 114 114 HIS N N 15 0.099 0.008 . . . . . . . 15254 2 92 . 1 1 115 115 THR N N 15 0.087 0.006 . . . . . . . 15254 2 93 . 1 1 116 116 ILE N N 15 0.104 0.009 . . . . . . . 15254 2 94 . 1 1 117 117 ARG N N 15 0.107 0.009 . . . . . . . 15254 2 95 . 1 1 118 118 ILE N N 15 0.087 0.006 . . . . . . . 15254 2 96 . 1 1 119 119 GLU N N 15 0.092 0.007 . . . . . . . 15254 2 97 . 1 1 120 120 GLU N N 15 0.092 0.007 . . . . . . . 15254 2 98 . 1 1 121 121 LEU N N 15 0.110 0.011 . . . . . . . 15254 2 stop_ save_