data_5746 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5746 _Entry.Title ; 15N Relaxation Data of Escherichia coli Adenylate Kinase in Complex with Inhibitor Ap5A Obtained at Magnetic Fields of 14.10 and 18.79 T ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-09 _Entry.Accession_date 2003-03-10 _Entry.Last_release_date 2003-05-01 _Entry.Original_release_date 2003-05-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; This depositions contains 15N T1, 15N T2, 15N-{1H} NOE and eta(xy) data for Adenylate kinase from E. coli in the ligand-free form and in complex with two-substrate mimicking inhibitor Ap5A, obtained at two magnetic fields of 14.10 T and 18.79 T. 15N-{1H} NOE values were corrected for incomplete 1H T1 recovery with equation by S. Grzeciek & A. Bax. JACS, 1993, 115, 12593-12594. (The values of corrections were significantly less than experimental errors.) The cross-correlation rates, eta(xy), between 15N CSA and 15N-1H dipolar interaction were calculated as the median values obtained with dephasing delays 2*delta of 14 ms (<15NT2>/8) and 32 ms. ; _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 Yury Shapiro . E. . 5746 2 Edith Kahana . . . 5746 3 Vitali Tugarinov . . . 5746 4 Zhichun Liang . . . 5746 5 Jack Freed . H. . 5746 6 Eva Meirovitch . . . 5746 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5746 heteronucl_T1_relaxation 2 5746 heteronucl_T2_relaxation 2 5746 heteronucl_NOEs 2 5746 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 202 5746 '15N chemical shifts' 202 5746 'T1 relaxation values' 404 5746 'T2 relaxation values' 404 5746 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 . . 2003-05-01 2003-03-09 original author . 5746 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5720 'adenylate kinase in free form' 5746 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5746 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12009888 _Citation.Full_citation . _Citation.Title ; Domain Flexibility in Ligand-Free and Inhibitor-Bound Escherichia coli Adenylate Kinase Based on a Mode-Coupling Analysis of 15N Spin Relaxation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 20 _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 6271 _Citation.Page_last 6281 _Citation.Year 2002 _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 Yury Shapiro . E. . 5746 1 2 Edith Kahana . . . 5746 1 3 Vitali Tugarinov . . . 5746 1 4 Zhichun Liang . . . 5746 1 5 Jack Freed . H. . 5746 1 6 Eva Meirovitch . . . 5746 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'adenylate kinase' 5746 1 '15N spin relaxation' 5746 1 SRLS 5746 1 'backbone dynamics' 5746 1 'domain motion' 5746 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AKeco _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AKeco _Assembly.Entry_ID 5746 _Assembly.ID 1 _Assembly.Name 'Adenylate Kinase from Escherichia coli' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.4.3 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5746 1 stop_ 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 'AKeco kinase' 1 $AKeco . . . native . . . . . 5746 1 2 'inhibitor Ap5A' 2 $AP5 . . . native . . . . . 5746 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 4AKE . . . . . . 5746 1 yes PDB 1AKE . . . . . . 5746 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Adenylate Kinase from Escherichia coli' system 5746 1 AKeco abbreviation 5746 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transfer of a phosphoryl group from ATP to AMP' 5746 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AKeco _Entity.Sf_category entity _Entity.Sf_framecode AKeco _Entity.Entry_ID 5746 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Adenylate Kinase from Escherichia coli' _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 ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23571 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 18683 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 2 no BMRB 18685 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 3 no BMRB 18686 . adenylate_kinase . . . . . 100.00 214 99.53 99.53 8.78e-151 . . . . 5746 1 4 no BMRB 18687 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 5 no BMRB 19089 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 6 no BMRB 19090 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 7 no BMRB 19091 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 8 no BMRB 19092 . adenylate_kinase_R156K_mutant . . . . . 100.00 214 99.53 100.00 3.35e-151 . . . . 5746 1 9 no BMRB 19093 . adenylate_kinase_R156K_mutant . . . . . 100.00 214 99.53 100.00 3.35e-151 . . . . 5746 1 10 no BMRB 4152 . AKe . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 11 no BMRB 4193 . Akeco . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 12 no BMRB 4350 . AK . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 13 no BMRB 5720 . AKeco . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 14 no PDB 1AKE . "Structure Of The Complex Between Adenylate Kinase From Escherichia Coli And The Inhibitor Ap5a Refined At 1.9 Angstroms Resolut" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 15 no PDB 1ANK . "The Closed Conformation Of A Highly Flexible Protein: The Structure Of E. Cloi Adenylate Kinase With Bound Amp And Amppnp" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 16 no PDB 1E4V . "Mutant G10v Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" . . . . . 100.00 214 99.53 99.53 1.89e-150 . . . . 5746 1 17 no PDB 1E4Y . "Mutant P9l Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" . . . . . 100.00 214 99.07 99.07 3.24e-149 . . . . 5746 1 18 no PDB 2ECK . "Structure Of Phosphotransferase" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 19 no PDB 3HPQ . "Crystal Structure Of Wild-Type Adenylate Kinase From E. Coli, In Complex With Ap5a" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 20 no PDB 3HPR . "Crystal Structure Of V148g Adenylate Kinase From E. Coli, In Complex With Ap5a" . . . . . 100.00 214 99.53 99.53 1.79e-150 . . . . 5746 1 21 no PDB 4AKE . "Adenylate Kinase" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 22 no PDB 4JZK . "Crystal Structure Of Adenylate Kinase Of E. Coli With Adp/amp Bound" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 23 no DBJ BAA14303 . "adenylate kinase [Escherichia coli K-12]" . . . . . 50.00 107 100.00 100.00 7.90e-69 . . . . 5746 1 24 no DBJ BAB33950 . "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 25 no DBJ BAE76253 . "adenylate kinase [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 26 no DBJ BAG76023 . "adenylate kinase [Escherichia coli SE11]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 27 no DBJ BAI23848 . "adenylate kinase Adk [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 28 no EMBL CAA26840 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 29 no EMBL CAF33430 . "adenylate kinase [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 2.72e-106 . . . . 5746 1 30 no EMBL CAF33431 . "adenylate kinase [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 2.72e-106 . . . . 5746 1 31 no EMBL CAF33432 . "adenylate kinase [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 2.72e-106 . . . . 5746 1 32 no EMBL CAF33433 . "adenylate kinase [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 2.72e-106 . . . . 5746 1 33 no GB AAA23461 . "adk ORF [Escherichia coli]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 34 no GB AAB40228 . "adenylate kinase [Escherichia coli]" . . . . . 100.00 233 100.00 100.00 4.33e-152 . . . . 5746 1 35 no GB AAC73576 . "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 36 no GB AAG54823 . "adenylate kinase activity; pleiotropic effects on glycerol-3-phosphate acyltransferase activity [Escherichia coli O157:H7 str. " . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 37 no GB AAM94352 . "adenylate kinase [Escherichia coli]" . . . . . 79.91 171 100.00 100.00 9.13e-120 . . . . 5746 1 38 no REF NP_286215 . "adenylate kinase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 39 no REF NP_308554 . "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 40 no REF NP_415007 . "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 41 no REF NP_706367 . "adenylate kinase [Shigella flexneri 2a str. 301]" . . . . . 100.00 214 99.53 99.53 1.19e-150 . . . . 5746 1 42 no REF NP_752528 . "adenylate kinase [Escherichia coli CFT073]" . . . . . 100.00 214 99.53 99.53 8.88e-151 . . . . 5746 1 43 no SP A7ZIN4 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 44 no SP A7ZXD2 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 45 no SP B1IZC0 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 46 no SP B1LJN2 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 47 no SP B1XFR1 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.28e-151 . . . . 5746 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Adenylate Kinase from Escherichia coli' common 5746 1 AKeco abbreviation 5746 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 . MET . 5746 1 2 . ARG . 5746 1 3 . ILE . 5746 1 4 . ILE . 5746 1 5 . LEU . 5746 1 6 . LEU . 5746 1 7 . GLY . 5746 1 8 . ALA . 5746 1 9 . PRO . 5746 1 10 . GLY . 5746 1 11 . ALA . 5746 1 12 . GLY . 5746 1 13 . LYS . 5746 1 14 . GLY . 5746 1 15 . THR . 5746 1 16 . GLN . 5746 1 17 . ALA . 5746 1 18 . GLN . 5746 1 19 . PHE . 5746 1 20 . ILE . 5746 1 21 . MET . 5746 1 22 . GLU . 5746 1 23 . LYS . 5746 1 24 . TYR . 5746 1 25 . GLY . 5746 1 26 . ILE . 5746 1 27 . PRO . 5746 1 28 . GLN . 5746 1 29 . ILE . 5746 1 30 . SER . 5746 1 31 . THR . 5746 1 32 . GLY . 5746 1 33 . ASP . 5746 1 34 . MET . 5746 1 35 . LEU . 5746 1 36 . ARG . 5746 1 37 . ALA . 5746 1 38 . ALA . 5746 1 39 . VAL . 5746 1 40 . LYS . 5746 1 41 . SER . 5746 1 42 . GLY . 5746 1 43 . SER . 5746 1 44 . GLU . 5746 1 45 . LEU . 5746 1 46 . GLY . 5746 1 47 . LYS . 5746 1 48 . GLN . 5746 1 49 . ALA . 5746 1 50 . LYS . 5746 1 51 . ASP . 5746 1 52 . ILE . 5746 1 53 . MET . 5746 1 54 . ASP . 5746 1 55 . ALA . 5746 1 56 . GLY . 5746 1 57 . LYS . 5746 1 58 . LEU . 5746 1 59 . VAL . 5746 1 60 . THR . 5746 1 61 . ASP . 5746 1 62 . GLU . 5746 1 63 . LEU . 5746 1 64 . VAL . 5746 1 65 . ILE . 5746 1 66 . ALA . 5746 1 67 . LEU . 5746 1 68 . VAL . 5746 1 69 . LYS . 5746 1 70 . GLU . 5746 1 71 . ARG . 5746 1 72 . ILE . 5746 1 73 . ALA . 5746 1 74 . GLN . 5746 1 75 . GLU . 5746 1 76 . ASP . 5746 1 77 . CYS . 5746 1 78 . ARG . 5746 1 79 . ASN . 5746 1 80 . GLY . 5746 1 81 . PHE . 5746 1 82 . LEU . 5746 1 83 . LEU . 5746 1 84 . ASP . 5746 1 85 . GLY . 5746 1 86 . PHE . 5746 1 87 . PRO . 5746 1 88 . ARG . 5746 1 89 . THR . 5746 1 90 . ILE . 5746 1 91 . PRO . 5746 1 92 . GLN . 5746 1 93 . ALA . 5746 1 94 . ASP . 5746 1 95 . ALA . 5746 1 96 . MET . 5746 1 97 . LYS . 5746 1 98 . GLU . 5746 1 99 . ALA . 5746 1 100 . GLY . 5746 1 101 . ILE . 5746 1 102 . ASN . 5746 1 103 . VAL . 5746 1 104 . ASP . 5746 1 105 . TYR . 5746 1 106 . VAL . 5746 1 107 . LEU . 5746 1 108 . GLU . 5746 1 109 . PHE . 5746 1 110 . ASP . 5746 1 111 . VAL . 5746 1 112 . PRO . 5746 1 113 . ASP . 5746 1 114 . GLU . 5746 1 115 . LEU . 5746 1 116 . ILE . 5746 1 117 . VAL . 5746 1 118 . ASP . 5746 1 119 . ARG . 5746 1 120 . ILE . 5746 1 121 . VAL . 5746 1 122 . GLY . 5746 1 123 . ARG . 5746 1 124 . ARG . 5746 1 125 . VAL . 5746 1 126 . HIS . 5746 1 127 . ALA . 5746 1 128 . PRO . 5746 1 129 . SER . 5746 1 130 . GLY . 5746 1 131 . ARG . 5746 1 132 . VAL . 5746 1 133 . TYR . 5746 1 134 . HIS . 5746 1 135 . VAL . 5746 1 136 . LYS . 5746 1 137 . PHE . 5746 1 138 . ASN . 5746 1 139 . PRO . 5746 1 140 . PRO . 5746 1 141 . LYS . 5746 1 142 . VAL . 5746 1 143 . GLU . 5746 1 144 . GLY . 5746 1 145 . LYS . 5746 1 146 . ASP . 5746 1 147 . ASP . 5746 1 148 . VAL . 5746 1 149 . THR . 5746 1 150 . GLY . 5746 1 151 . GLU . 5746 1 152 . GLU . 5746 1 153 . LEU . 5746 1 154 . THR . 5746 1 155 . THR . 5746 1 156 . ARG . 5746 1 157 . LYS . 5746 1 158 . ASP . 5746 1 159 . ASP . 5746 1 160 . GLN . 5746 1 161 . GLU . 5746 1 162 . GLU . 5746 1 163 . THR . 5746 1 164 . VAL . 5746 1 165 . ARG . 5746 1 166 . LYS . 5746 1 167 . ARG . 5746 1 168 . LEU . 5746 1 169 . VAL . 5746 1 170 . GLU . 5746 1 171 . TYR . 5746 1 172 . HIS . 5746 1 173 . GLN . 5746 1 174 . MET . 5746 1 175 . THR . 5746 1 176 . ALA . 5746 1 177 . PRO . 5746 1 178 . LEU . 5746 1 179 . ILE . 5746 1 180 . GLY . 5746 1 181 . TYR . 5746 1 182 . TYR . 5746 1 183 . SER . 5746 1 184 . LYS . 5746 1 185 . GLU . 5746 1 186 . ALA . 5746 1 187 . GLU . 5746 1 188 . ALA . 5746 1 189 . GLY . 5746 1 190 . ASN . 5746 1 191 . THR . 5746 1 192 . LYS . 5746 1 193 . TYR . 5746 1 194 . ALA . 5746 1 195 . LYS . 5746 1 196 . VAL . 5746 1 197 . ASP . 5746 1 198 . GLY . 5746 1 199 . THR . 5746 1 200 . LYS . 5746 1 201 . PRO . 5746 1 202 . VAL . 5746 1 203 . ALA . 5746 1 204 . GLU . 5746 1 205 . VAL . 5746 1 206 . ARG . 5746 1 207 . ALA . 5746 1 208 . ASP . 5746 1 209 . LEU . 5746 1 210 . GLU . 5746 1 211 . LYS . 5746 1 212 . ILE . 5746 1 213 . LEU . 5746 1 214 . GLY . 5746 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5746 1 . ARG 2 2 5746 1 . ILE 3 3 5746 1 . ILE 4 4 5746 1 . LEU 5 5 5746 1 . LEU 6 6 5746 1 . GLY 7 7 5746 1 . ALA 8 8 5746 1 . PRO 9 9 5746 1 . GLY 10 10 5746 1 . ALA 11 11 5746 1 . GLY 12 12 5746 1 . LYS 13 13 5746 1 . GLY 14 14 5746 1 . THR 15 15 5746 1 . GLN 16 16 5746 1 . ALA 17 17 5746 1 . GLN 18 18 5746 1 . PHE 19 19 5746 1 . ILE 20 20 5746 1 . MET 21 21 5746 1 . GLU 22 22 5746 1 . LYS 23 23 5746 1 . TYR 24 24 5746 1 . GLY 25 25 5746 1 . ILE 26 26 5746 1 . PRO 27 27 5746 1 . GLN 28 28 5746 1 . ILE 29 29 5746 1 . SER 30 30 5746 1 . THR 31 31 5746 1 . GLY 32 32 5746 1 . ASP 33 33 5746 1 . MET 34 34 5746 1 . LEU 35 35 5746 1 . ARG 36 36 5746 1 . ALA 37 37 5746 1 . ALA 38 38 5746 1 . VAL 39 39 5746 1 . LYS 40 40 5746 1 . SER 41 41 5746 1 . GLY 42 42 5746 1 . SER 43 43 5746 1 . GLU 44 44 5746 1 . LEU 45 45 5746 1 . GLY 46 46 5746 1 . LYS 47 47 5746 1 . GLN 48 48 5746 1 . ALA 49 49 5746 1 . LYS 50 50 5746 1 . ASP 51 51 5746 1 . ILE 52 52 5746 1 . MET 53 53 5746 1 . ASP 54 54 5746 1 . ALA 55 55 5746 1 . GLY 56 56 5746 1 . LYS 57 57 5746 1 . LEU 58 58 5746 1 . VAL 59 59 5746 1 . THR 60 60 5746 1 . ASP 61 61 5746 1 . GLU 62 62 5746 1 . LEU 63 63 5746 1 . VAL 64 64 5746 1 . ILE 65 65 5746 1 . ALA 66 66 5746 1 . LEU 67 67 5746 1 . VAL 68 68 5746 1 . LYS 69 69 5746 1 . GLU 70 70 5746 1 . ARG 71 71 5746 1 . ILE 72 72 5746 1 . ALA 73 73 5746 1 . GLN 74 74 5746 1 . GLU 75 75 5746 1 . ASP 76 76 5746 1 . CYS 77 77 5746 1 . ARG 78 78 5746 1 . ASN 79 79 5746 1 . GLY 80 80 5746 1 . PHE 81 81 5746 1 . LEU 82 82 5746 1 . LEU 83 83 5746 1 . ASP 84 84 5746 1 . GLY 85 85 5746 1 . PHE 86 86 5746 1 . PRO 87 87 5746 1 . ARG 88 88 5746 1 . THR 89 89 5746 1 . ILE 90 90 5746 1 . PRO 91 91 5746 1 . GLN 92 92 5746 1 . ALA 93 93 5746 1 . ASP 94 94 5746 1 . ALA 95 95 5746 1 . MET 96 96 5746 1 . LYS 97 97 5746 1 . GLU 98 98 5746 1 . ALA 99 99 5746 1 . GLY 100 100 5746 1 . ILE 101 101 5746 1 . ASN 102 102 5746 1 . VAL 103 103 5746 1 . ASP 104 104 5746 1 . TYR 105 105 5746 1 . VAL 106 106 5746 1 . LEU 107 107 5746 1 . GLU 108 108 5746 1 . PHE 109 109 5746 1 . ASP 110 110 5746 1 . VAL 111 111 5746 1 . PRO 112 112 5746 1 . ASP 113 113 5746 1 . GLU 114 114 5746 1 . LEU 115 115 5746 1 . ILE 116 116 5746 1 . VAL 117 117 5746 1 . ASP 118 118 5746 1 . ARG 119 119 5746 1 . ILE 120 120 5746 1 . VAL 121 121 5746 1 . GLY 122 122 5746 1 . ARG 123 123 5746 1 . ARG 124 124 5746 1 . VAL 125 125 5746 1 . HIS 126 126 5746 1 . ALA 127 127 5746 1 . PRO 128 128 5746 1 . SER 129 129 5746 1 . GLY 130 130 5746 1 . ARG 131 131 5746 1 . VAL 132 132 5746 1 . TYR 133 133 5746 1 . HIS 134 134 5746 1 . VAL 135 135 5746 1 . LYS 136 136 5746 1 . PHE 137 137 5746 1 . ASN 138 138 5746 1 . PRO 139 139 5746 1 . PRO 140 140 5746 1 . LYS 141 141 5746 1 . VAL 142 142 5746 1 . GLU 143 143 5746 1 . GLY 144 144 5746 1 . LYS 145 145 5746 1 . ASP 146 146 5746 1 . ASP 147 147 5746 1 . VAL 148 148 5746 1 . THR 149 149 5746 1 . GLY 150 150 5746 1 . GLU 151 151 5746 1 . GLU 152 152 5746 1 . LEU 153 153 5746 1 . THR 154 154 5746 1 . THR 155 155 5746 1 . ARG 156 156 5746 1 . LYS 157 157 5746 1 . ASP 158 158 5746 1 . ASP 159 159 5746 1 . GLN 160 160 5746 1 . GLU 161 161 5746 1 . GLU 162 162 5746 1 . THR 163 163 5746 1 . VAL 164 164 5746 1 . ARG 165 165 5746 1 . LYS 166 166 5746 1 . ARG 167 167 5746 1 . LEU 168 168 5746 1 . VAL 169 169 5746 1 . GLU 170 170 5746 1 . TYR 171 171 5746 1 . HIS 172 172 5746 1 . GLN 173 173 5746 1 . MET 174 174 5746 1 . THR 175 175 5746 1 . ALA 176 176 5746 1 . PRO 177 177 5746 1 . LEU 178 178 5746 1 . ILE 179 179 5746 1 . GLY 180 180 5746 1 . TYR 181 181 5746 1 . TYR 182 182 5746 1 . SER 183 183 5746 1 . LYS 184 184 5746 1 . GLU 185 185 5746 1 . ALA 186 186 5746 1 . GLU 187 187 5746 1 . ALA 188 188 5746 1 . GLY 189 189 5746 1 . ASN 190 190 5746 1 . THR 191 191 5746 1 . LYS 192 192 5746 1 . TYR 193 193 5746 1 . ALA 194 194 5746 1 . LYS 195 195 5746 1 . VAL 196 196 5746 1 . ASP 197 197 5746 1 . GLY 198 198 5746 1 . THR 199 199 5746 1 . LYS 200 200 5746 1 . PRO 201 201 5746 1 . VAL 202 202 5746 1 . ALA 203 203 5746 1 . GLU 204 204 5746 1 . VAL 205 205 5746 1 . ARG 206 206 5746 1 . ALA 207 207 5746 1 . ASP 208 208 5746 1 . LEU 209 209 5746 1 . GLU 210 210 5746 1 . LYS 211 211 5746 1 . ILE 212 212 5746 1 . LEU 213 213 5746 1 . GLY 214 214 5746 1 stop_ save_ save_AP5 _Entity.Sf_category entity _Entity.Sf_framecode AP5 _Entity.Entry_ID 5746 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name AP5 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID AP5 _Entity.Nonpolymer_comp_label $chem_comp_AP5 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . AP5 . 5746 2 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 5746 _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 $AKeco . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli HfrP4x8 . . . . . HB101 . . . . . . . pEAK91 . . . . . . 5746 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 5746 _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 $AKeco . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5746 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AP5 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AP5 _Chem_comp.Entry_ID 5746 _Chem_comp.ID AP5 _Chem_comp.Provenance . _Chem_comp.Name BIS(ADENOSINE)-5'-PENTAPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code AP5 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AP5 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C20 H29 N10 O22 P5' _Chem_comp.Formula_weight 916.367 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AKE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 11:02:24 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 5746 AP5 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O SMILES CACTVS 3.341 5746 AP5 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5746 AP5 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 5746 AP5 InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 InChI InChI 1.03 5746 AP5 OIMACDRJUANHTJ-XPWFQUROSA-N InChIKey InChI 1.03 5746 AP5 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5746 AP5 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PA . PA . . P . . S 0 . . . . no no . . . . 22.201 . 6.089 . 19.452 . -0.998 0.944 5.000 1 . 5746 AP5 O1A . O1A . . O . . N 0 . . . . no no . . . . 22.416 . 6.745 . 18.144 . 0.236 1.740 5.175 2 . 5746 AP5 O2A . O2A . . O . . N 0 . . . . no no . . . . 21.476 . 6.864 . 20.478 . -2.217 1.922 4.613 3 . 5746 AP5 O3A . O3A . . O . . N 0 . . . . no no . . . . 21.770 . 4.549 . 19.290 . -0.780 -0.132 3.823 4 . 5746 AP5 PB . PB . . P . . S 0 . . . . no no . . . . 20.344 . 3.896 . 18.917 . -0.443 0.700 2.487 5 . 5746 AP5 O1B . O1B . . O . . N 0 . . . . no no . . . . 20.857 . 2.643 . 18.377 . 0.783 1.500 2.701 6 . 5746 AP5 O2B . O2B . . O . . N 0 . . . . no no . . . . 19.561 . 4.700 . 17.951 . -1.671 1.682 2.143 7 . 5746 AP5 O3B . O3B . . O . . N 0 . . . . no no . . . . 19.580 . 3.556 . 20.304 . -0.212 -0.319 1.262 8 . 5746 AP5 PG . PG . . P . . N 0 . . . . no no . . . . 17.985 . 3.557 . 20.606 . 0.118 0.577 -0.033 9 . 5746 AP5 O1G . O1G . . O . . N 0 . . . . no no . . . . 17.476 . 4.926 . 20.866 . -1.018 1.482 -0.310 10 . 5746 AP5 O2G . O2G . . O . . N 0 . . . . no no . . . . 17.289 . 2.760 . 19.558 . 1.443 1.449 0.242 11 . 5746 AP5 O3G . O3G . . O . . N 0 . . . . no no . . . . 18.082 . 2.680 . 21.967 . 0.362 -0.383 -1.301 12 . 5746 AP5 PD . PD . . P . . S 0 . . . . no no . . . . 16.945 . 2.326 . 23.101 . 0.686 0.574 -2.554 13 . 5746 AP5 O1D . O1D . . O . . N 0 . . . . no no . . . . 16.975 . 0.838 . 23.248 . -0.460 1.479 -2.793 14 . 5746 AP5 O2D . O2D . . O . . N 0 . . . . no no . . . . 17.317 . 3.050 . 24.336 . 2.001 1.446 -2.237 15 . 5746 AP5 O3D . O3D . . O . . N 0 . . . . no no . . . . 15.397 . 2.495 . 22.602 . 0.942 -0.325 -3.865 16 . 5746 AP5 PE . PE . . P . . S 0 . . . . no no . . . . 14.541 . 3.700 . 21.938 . 1.258 0.691 -5.073 17 . 5746 AP5 O1E . O1E . . O . . N 0 . . . . no no . . . . 14.837 . 5.089 . 22.338 . 0.103 1.594 -5.273 18 . 5746 AP5 O2E . O2E . . O . . N 0 . . . . no no . . . . 14.021 . 3.514 . 20.557 . 2.564 1.562 -4.713 19 . 5746 AP5 O5F . O5F . . O . . N 0 . . . . no no . . . . 23.694 . 5.984 . 20.010 . -1.340 0.176 6.373 20 . 5746 AP5 C5F . C5F . . C . . N 0 . . . . no no . . . . 23.863 . 5.533 . 21.343 . -1.522 1.180 7.373 21 . 5746 AP5 C4F . C4F . . C . . R 0 . . . . no no . . . . 24.868 . 6.417 . 22.062 . -1.852 0.513 8.710 22 . 5746 AP5 O4F . O4F . . O . . N 0 . . . . no no . . . . 26.197 . 6.203 . 21.583 . -0.764 -0.337 9.130 23 . 5746 AP5 C3F . C3F . . C . . S 0 . . . . no no . . . . 24.677 . 7.945 . 21.924 . -1.977 1.574 9.827 24 . 5746 AP5 O3F . O3F . . O . . N 0 . . . . no no . . . . 25.346 . 8.532 . 23.016 . -3.349 1.898 10.058 25 . 5746 AP5 C2F . C2F . . C . . R 0 . . . . no no . . . . 25.443 . 8.295 . 20.628 . -1.364 0.886 11.069 26 . 5746 AP5 O2F . O2F . . O . . N 0 . . . . no no . . . . 26.145 . 9.548 . 20.716 . -2.339 0.767 12.107 27 . 5746 AP5 C1F . C1F . . C . . R 0 . . . . no no . . . . 26.421 . 7.150 . 20.562 . -0.939 -0.506 10.554 28 . 5746 AP5 N9A . N9A . . N . . N 0 . . . . yes no . . . . 27.112 . 6.824 . 19.345 . 0.319 -0.919 11.178 29 . 5746 AP5 C8A . C8A . . C . . N 0 . . . . yes no . . . . 26.489 . 6.695 . 18.135 . 1.574 -0.648 10.719 30 . 5746 AP5 N7A . N7A . . N . . N 0 . . . . yes no . . . . 27.295 . 6.275 . 17.223 . 2.461 -1.166 11.518 31 . 5746 AP5 C5A . C5A . . C . . N 0 . . . . yes no . . . . 28.529 . 6.124 . 17.797 . 1.834 -1.796 12.540 32 . 5746 AP5 C6A . C6A . . C . . N 0 . . . . yes no . . . . 29.735 . 5.649 . 17.285 . 2.262 -2.520 13.665 33 . 5746 AP5 N6A . N6A . . N . . N 0 . . . . no no . . . . 29.771 . 5.190 . 16.024 . 3.610 -2.701 13.920 34 . 5746 AP5 N1A . N1A . . N . . N 0 . . . . yes no . . . . 30.793 . 5.669 . 18.130 . 1.342 -3.022 14.483 35 . 5746 AP5 C2A . C2A . . C . . N 0 . . . . yes no . . . . 30.595 . 6.010 . 19.414 . 0.054 -2.854 14.248 36 . 5746 AP5 N3A . N3A . . N . . N 0 . . . . yes no . . . . 29.508 . 6.464 . 20.023 . -0.392 -2.188 13.204 37 . 5746 AP5 C4A . C4A . . C . . N 0 . . . . yes no . . . . 28.440 . 6.487 . 19.168 . 0.452 -1.650 12.331 38 . 5746 AP5 O5J . O5J . . O . . N 0 . . . . no no . . . . 13.178 . 3.399 . 22.744 . 1.526 -0.144 -6.422 39 . 5746 AP5 C5J . C5J . . C . . N 0 . . . . no no . . . . 13.096 . 3.370 . 24.177 . 1.799 0.808 -7.451 40 . 5746 AP5 C4J . C4J . . C . . R 0 . . . . no no . . . . 11.797 . 2.648 . 24.646 . 2.063 0.075 -8.768 41 . 5746 AP5 O4J . O4J . . O . . N 0 . . . . no no . . . . 10.642 . 3.052 . 23.872 . 0.897 -0.670 -9.155 42 . 5746 AP5 C3J . C3J . . C . . S 0 . . . . no no . . . . 11.850 . 1.118 . 24.442 . 2.352 1.095 -9.887 43 . 5746 AP5 O3J . O3J . . O . . N 0 . . . . no no . . . . 12.535 . 0.450 . 25.490 . 3.654 0.888 -10.437 44 . 5746 AP5 C2J . C2J . . C . . R 0 . . . . no no . . . . 10.402 . 0.698 . 24.318 . 1.260 0.805 -10.951 45 . 5746 AP5 O2J . O2J . . O . . N 0 . . . . no no . . . . 9.706 . 0.889 . 25.519 . 1.805 0.871 -12.270 46 . 5746 AP5 C1J . C1J . . C . . R 0 . . . . no no . . . . 10.066 . 1.830 . 23.414 . 0.840 -0.644 -10.598 47 . 5746 AP5 N9B . N9B . . N . . N 0 . . . . yes no . . . . 9.747 . 1.616 . 22.023 . -0.520 -0.918 -11.065 48 . 5746 AP5 C8B . C8B . . C . . N 0 . . . . yes no . . . . 10.182 . 2.374 . 20.967 . -1.675 -0.641 -10.395 49 . 5746 AP5 N7B . N7B . . N . . N 0 . . . . yes no . . . . 9.821 . 1.888 . 19.815 . -2.700 -1.016 -11.102 50 . 5746 AP5 C5B . C5B . . C . . N 0 . . . . yes no . . . . 9.099 . 0.730 . 20.087 . -2.271 -1.556 -12.268 51 . 5746 AP5 C6B . C6B . . C . . N 0 . . . . yes no . . . . 8.487 . -0.225 . 19.272 . -2.905 -2.115 -13.391 52 . 5746 AP5 N6B . N6B . . N . . N 0 . . . . no no . . . . 8.669 . -0.222 . 17.956 . -4.285 -2.198 -13.457 53 . 5746 AP5 N1B . N1B . . N . . N 0 . . . . yes no . . . . 7.799 . -1.199 . 19.879 . -2.148 -2.563 -14.388 54 . 5746 AP5 C2B . C2B . . C . . N 0 . . . . yes no . . . . 7.763 . -1.199 . 21.208 . -0.831 -2.488 -14.333 55 . 5746 AP5 N3B . N3B . . N . . N 0 . . . . yes no . . . . 8.373 . -0.426 . 22.108 . -0.194 -1.973 -13.303 56 . 5746 AP5 C4B . C4B . . C . . N 0 . . . . yes no . . . . 9.034 . 0.571 . 21.499 . -0.867 -1.495 -12.261 57 . 5746 AP5 HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 21.337 . 6.442 . 21.318 . -3.000 1.364 4.509 58 . 5746 AP5 HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 18.720 . 4.315 . 17.731 . -2.448 1.122 2.011 59 . 5746 AP5 HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 16.355 . 2.760 . 19.734 . 2.159 0.823 0.418 60 . 5746 AP5 HOD2 . HOD2 . . H . . N 0 . . . . no no . . . . 16.660 . 2.845 . 24.991 . 2.723 0.820 -2.088 61 . 5746 AP5 HOE2 . HOE2 . . H . . N 0 . . . . no no . . . . 13.519 . 4.220 . 20.167 . 3.292 0.937 -4.591 62 . 5746 AP5 H51A . H51A . . H . . N 0 . . . . no no . . . . 22.893 . 5.469 . 21.890 . -2.341 1.838 7.083 63 . 5746 AP5 H52A . H52A . . H . . N 0 . . . . no no . . . . 24.144 . 4.455 . 21.388 . -0.606 1.762 7.474 64 . 5746 AP5 H4F . H4F . . H . . N 0 . . . . no no . . . . 24.696 . 6.114 . 23.121 . -2.774 -0.061 8.629 65 . 5746 AP5 H3F . H3F . . H . . N 0 . . . . no no . . . . 23.613 . 8.280 . 21.898 . -1.412 2.469 9.567 66 . 5746 AP5 HO3A . HO3A . . H . . N 0 . . . . no no . . . . 25.228 . 9.470 . 22.931 . -3.364 2.562 10.762 67 . 5746 AP5 H2F . H2F . . H . . N 0 . . . . no no . . . . 24.778 . 8.414 . 19.740 . -0.496 1.441 11.424 68 . 5746 AP5 HO2A . HO2A . . H . . N 0 . . . . no no . . . . 26.615 . 9.763 . 19.919 . -2.607 1.666 12.343 69 . 5746 AP5 H1F . H1F . . H . . N 0 . . . . no no . . . . 27.422 . 7.575 . 20.805 . -1.720 -1.239 10.755 70 . 5746 AP5 H8A . H8A . . H . . N 0 . . . . no no . . . . 25.430 . 6.910 . 17.914 . 1.798 -0.086 9.824 71 . 5746 AP5 H61A . H61A . . H . . N 0 . . . . no no . . . . 30.653 . 4.842 . 15.649 . 3.893 -3.200 14.703 72 . 5746 AP5 H62A . H62A . . H . . N 0 . . . . no no . . . . 29.411 . 5.913 . 15.400 . 4.272 -2.333 13.314 73 . 5746 AP5 H2A . H2A . . H . . N 0 . . . . no no . . . . 31.469 . 5.898 . 20.077 . -0.659 -3.279 14.938 74 . 5746 AP5 H51B . H51B . . H . . N 0 . . . . no no . . . . 14.006 . 2.915 . 24.632 . 0.941 1.470 -7.570 75 . 5746 AP5 H52B . H52B . . H . . N 0 . . . . no no . . . . 13.179 . 4.392 . 24.614 . 2.676 1.395 -7.180 76 . 5746 AP5 H4J . H4J . . H . . N 0 . . . . no no . . . . 11.718 . 2.924 . 25.723 . 2.912 -0.598 -8.653 77 . 5746 AP5 H3J . H3J . . H . . N 0 . . . . no no . . . . 12.435 . 0.839 . 23.534 . 2.255 2.112 -9.509 78 . 5746 AP5 HO3B . HO3B . . H . . N 0 . . . . no no . . . . 12.567 . -0.491 . 25.364 . 3.751 1.514 -11.169 79 . 5746 AP5 H2J . H2J . . H . . N 0 . . . . no no . . . . 10.191 . -0.355 . 24.021 . 0.420 1.491 -10.844 80 . 5746 AP5 HO2B . HO2B . . H . . N 0 . . . . no no . . . . 8.796 . 0.625 . 25.441 . 2.046 1.795 -12.427 81 . 5746 AP5 H1J . H1J . . H . . N 0 . . . . no no . . . . 8.964 . 1.972 . 23.508 . 1.542 -1.361 -11.023 82 . 5746 AP5 H8B . H8B . . H . . N 0 . . . . no no . . . . 10.775 . 3.301 . 21.038 . -1.729 -0.178 -9.421 83 . 5746 AP5 H61B . H61B . . H . . N 0 . . . . no no . . . . 8.222 . -0.919 . 17.360 . -4.710 -2.586 -14.238 84 . 5746 AP5 H62B . H62B . . H . . N 0 . . . . no no . . . . 9.672 . -0.248 . 17.775 . -4.826 -1.868 -12.723 85 . 5746 AP5 H2B . H2B . . H . . N 0 . . . . no no . . . . 7.112 . -1.977 . 21.640 . -0.254 -2.864 -15.165 86 . 5746 AP5 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 5746 AP5 2 . SING PA O2A no N 2 . 5746 AP5 3 . SING PA O3A no N 3 . 5746 AP5 4 . SING PA O5F no N 4 . 5746 AP5 5 . SING O2A HOA2 no N 5 . 5746 AP5 6 . SING O3A PB no N 6 . 5746 AP5 7 . DOUB PB O1B no N 7 . 5746 AP5 8 . SING PB O2B no N 8 . 5746 AP5 9 . SING PB O3B no N 9 . 5746 AP5 10 . SING O2B HOB2 no N 10 . 5746 AP5 11 . SING O3B PG no N 11 . 5746 AP5 12 . DOUB PG O1G no N 12 . 5746 AP5 13 . SING PG O2G no N 13 . 5746 AP5 14 . SING PG O3G no N 14 . 5746 AP5 15 . SING O2G HOG2 no N 15 . 5746 AP5 16 . SING O3G PD no N 16 . 5746 AP5 17 . DOUB PD O1D no N 17 . 5746 AP5 18 . SING PD O2D no N 18 . 5746 AP5 19 . SING PD O3D no N 19 . 5746 AP5 20 . SING O2D HOD2 no N 20 . 5746 AP5 21 . SING O3D PE no N 21 . 5746 AP5 22 . DOUB PE O1E no N 22 . 5746 AP5 23 . SING PE O2E no N 23 . 5746 AP5 24 . SING PE O5J no N 24 . 5746 AP5 25 . SING O2E HOE2 no N 25 . 5746 AP5 26 . SING O5F C5F no N 26 . 5746 AP5 27 . SING C5F C4F no N 27 . 5746 AP5 28 . SING C5F H51A no N 28 . 5746 AP5 29 . SING C5F H52A no N 29 . 5746 AP5 30 . SING C4F O4F no N 30 . 5746 AP5 31 . SING C4F C3F no N 31 . 5746 AP5 32 . SING C4F H4F no N 32 . 5746 AP5 33 . SING O4F C1F no N 33 . 5746 AP5 34 . SING C3F O3F no N 34 . 5746 AP5 35 . SING C3F C2F no N 35 . 5746 AP5 36 . SING C3F H3F no N 36 . 5746 AP5 37 . SING O3F HO3A no N 37 . 5746 AP5 38 . SING C2F O2F no N 38 . 5746 AP5 39 . SING C2F C1F no N 39 . 5746 AP5 40 . SING C2F H2F no N 40 . 5746 AP5 41 . SING O2F HO2A no N 41 . 5746 AP5 42 . SING C1F N9A no N 42 . 5746 AP5 43 . SING C1F H1F no N 43 . 5746 AP5 44 . SING N9A C8A yes N 44 . 5746 AP5 45 . SING N9A C4A yes N 45 . 5746 AP5 46 . DOUB C8A N7A yes N 46 . 5746 AP5 47 . SING C8A H8A no N 47 . 5746 AP5 48 . SING N7A C5A yes N 48 . 5746 AP5 49 . SING C5A C6A yes N 49 . 5746 AP5 50 . DOUB C5A C4A yes N 50 . 5746 AP5 51 . SING C6A N6A no N 51 . 5746 AP5 52 . DOUB C6A N1A yes N 52 . 5746 AP5 53 . SING N6A H61A no N 53 . 5746 AP5 54 . SING N6A H62A no N 54 . 5746 AP5 55 . SING N1A C2A yes N 55 . 5746 AP5 56 . DOUB C2A N3A yes N 56 . 5746 AP5 57 . SING C2A H2A no N 57 . 5746 AP5 58 . SING N3A C4A yes N 58 . 5746 AP5 59 . SING O5J C5J no N 59 . 5746 AP5 60 . SING C5J C4J no N 60 . 5746 AP5 61 . SING C5J H51B no N 61 . 5746 AP5 62 . SING C5J H52B no N 62 . 5746 AP5 63 . SING C4J O4J no N 63 . 5746 AP5 64 . SING C4J C3J no N 64 . 5746 AP5 65 . SING C4J H4J no N 65 . 5746 AP5 66 . SING O4J C1J no N 66 . 5746 AP5 67 . SING C3J O3J no N 67 . 5746 AP5 68 . SING C3J C2J no N 68 . 5746 AP5 69 . SING C3J H3J no N 69 . 5746 AP5 70 . SING O3J HO3B no N 70 . 5746 AP5 71 . SING C2J O2J no N 71 . 5746 AP5 72 . SING C2J C1J no N 72 . 5746 AP5 73 . SING C2J H2J no N 73 . 5746 AP5 74 . SING O2J HO2B no N 74 . 5746 AP5 75 . SING C1J N9B no N 75 . 5746 AP5 76 . SING C1J H1J no N 76 . 5746 AP5 77 . SING N9B C8B yes N 77 . 5746 AP5 78 . SING N9B C4B yes N 78 . 5746 AP5 79 . DOUB C8B N7B yes N 79 . 5746 AP5 80 . SING C8B H8B no N 80 . 5746 AP5 81 . SING N7B C5B yes N 81 . 5746 AP5 82 . SING C5B C6B yes N 82 . 5746 AP5 83 . DOUB C5B C4B yes N 83 . 5746 AP5 84 . SING C6B N6B no N 84 . 5746 AP5 85 . DOUB C6B N1B yes N 85 . 5746 AP5 86 . SING N6B H61B no N 86 . 5746 AP5 87 . SING N6B H62B no N 87 . 5746 AP5 88 . SING N1B C2B yes N 88 . 5746 AP5 89 . DOUB C2B N3B yes N 89 . 5746 AP5 90 . SING C2B H2B no N 90 . 5746 AP5 91 . SING N3B C4B yes N 91 . 5746 AP5 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5746 _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 'Adenylate Kinase from Escherichia coli' [U-15N] . . 1 $AKeco . . 1.75 . . mM . . . . 5746 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5746 _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 pH 6.8 0.1 n/a 5746 1 temperature 303 0.05 K 5746 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5746 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., and Bax, A. (1995) J. Biomol. NMR 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5746 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5746 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5746 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5746 _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 NMR_spectrometer_1 Bruker DMX . 600 . . . 5746 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5746 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 5746 _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 R1 inversion recovery' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5746 1 2 '15N R2 CPMG' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5746 1 3 '15N-{1H} steady-state NOE' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5746 1 4 '15N CSA - 15N-1H cross-correlation rate, eta(xy)' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5746 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5746 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N R1 inversion recovery' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5746 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N R2 CPMG' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5746 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N-{1H} steady-state NOE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5746 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '15N CSA - 15N-1H cross-correlation rate, eta(xy)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $nmrPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5746 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.725 . indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5746 1 N 15 NH3 nitrogen . . . . ppm 117.5 . indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5746 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5746 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5746 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG H H 1 9.560 0.002 . . . . . . . . . . 5746 1 2 . 1 1 2 2 ARG N N 15 124.289 0.010 . . . . . . . . . . 5746 1 3 . 1 1 3 3 ILE H H 1 8.168 0.002 . . . . . . . . . . 5746 1 4 . 1 1 3 3 ILE N N 15 123.003 0.010 . . . . . . . . . . 5746 1 5 . 1 1 4 4 ILE H H 1 8.699 0.002 . . . . . . . . . . 5746 1 6 . 1 1 4 4 ILE N N 15 125.157 0.010 . . . . . . . . . . 5746 1 7 . 1 1 5 5 LEU H H 1 8.381 0.002 . . . . . . . . . . 5746 1 8 . 1 1 5 5 LEU N N 15 123.631 0.010 . . . . . . . . . . 5746 1 9 . 1 1 6 6 LEU H H 1 9.369 0.002 . . . . . . . . . . 5746 1 10 . 1 1 6 6 LEU N N 15 125.704 0.010 . . . . . . . . . . 5746 1 11 . 1 1 7 7 GLY H H 1 8.983 0.002 . . . . . . . . . . 5746 1 12 . 1 1 7 7 GLY N N 15 109.250 0.010 . . . . . . . . . . 5746 1 13 . 1 1 8 8 ALA H H 1 8.872 0.002 . . . . . . . . . . 5746 1 14 . 1 1 8 8 ALA N N 15 125.962 0.010 . . . . . . . . . . 5746 1 15 . 1 1 10 10 GLY H H 1 8.247 0.002 . . . . . . . . . . 5746 1 16 . 1 1 10 10 GLY N N 15 115.867 0.010 . . . . . . . . . . 5746 1 17 . 1 1 11 11 ALA H H 1 7.907 0.002 . . . . . . . . . . 5746 1 18 . 1 1 11 11 ALA N N 15 119.839 0.010 . . . . . . . . . . 5746 1 19 . 1 1 12 12 GLY H H 1 8.001 0.002 . . . . . . . . . . 5746 1 20 . 1 1 12 12 GLY N N 15 104.510 0.010 . . . . . . . . . . 5746 1 21 . 1 1 13 13 LYS H H 1 8.291 0.002 . . . . . . . . . . 5746 1 22 . 1 1 13 13 LYS N N 15 120.544 0.010 . . . . . . . . . . 5746 1 23 . 1 1 14 14 GLY H H 1 11.925 0.002 . . . . . . . . . . 5746 1 24 . 1 1 14 14 GLY N N 15 108.416 0.010 . . . . . . . . . . 5746 1 25 . 1 1 15 15 THR H H 1 8.278 0.002 . . . . . . . . . . 5746 1 26 . 1 1 15 15 THR N N 15 118.967 0.010 . . . . . . . . . . 5746 1 27 . 1 1 16 16 GLN H H 1 7.594 0.002 . . . . . . . . . . 5746 1 28 . 1 1 16 16 GLN N N 15 116.701 0.010 . . . . . . . . . . 5746 1 29 . 1 1 17 17 ALA H H 1 9.163 0.002 . . . . . . . . . . 5746 1 30 . 1 1 17 17 ALA N N 15 123.430 0.010 . . . . . . . . . . 5746 1 31 . 1 1 18 18 GLN H H 1 7.198 0.002 . . . . . . . . . . 5746 1 32 . 1 1 18 18 GLN N N 15 113.598 0.010 . . . . . . . . . . 5746 1 33 . 1 1 19 19 PHE H H 1 6.730 0.002 . . . . . . . . . . 5746 1 34 . 1 1 19 19 PHE N N 15 117.351 0.010 . . . . . . . . . . 5746 1 35 . 1 1 20 20 ILE H H 1 7.922 0.002 . . . . . . . . . . 5746 1 36 . 1 1 20 20 ILE N N 15 120.684 0.010 . . . . . . . . . . 5746 1 37 . 1 1 21 21 MET H H 1 8.446 0.002 . . . . . . . . . . 5746 1 38 . 1 1 21 21 MET N N 15 119.658 0.010 . . . . . . . . . . 5746 1 39 . 1 1 22 22 GLU H H 1 8.027 0.002 . . . . . . . . . . 5746 1 40 . 1 1 22 22 GLU N N 15 118.412 0.010 . . . . . . . . . . 5746 1 41 . 1 1 23 23 LYS H H 1 7.637 0.002 . . . . . . . . . . 5746 1 42 . 1 1 23 23 LYS N N 15 120.401 0.010 . . . . . . . . . . 5746 1 43 . 1 1 24 24 TYR H H 1 8.184 0.002 . . . . . . . . . . 5746 1 44 . 1 1 24 24 TYR N N 15 112.740 0.010 . . . . . . . . . . 5746 1 45 . 1 1 25 25 GLY H H 1 7.722 0.002 . . . . . . . . . . 5746 1 46 . 1 1 25 25 GLY N N 15 108.916 0.010 . . . . . . . . . . 5746 1 47 . 1 1 26 26 ILE H H 1 8.113 0.002 . . . . . . . . . . 5746 1 48 . 1 1 26 26 ILE N N 15 122.057 0.010 . . . . . . . . . . 5746 1 49 . 1 1 28 28 GLN H H 1 8.028 0.002 . . . . . . . . . . 5746 1 50 . 1 1 28 28 GLN N N 15 120.883 0.010 . . . . . . . . . . 5746 1 51 . 1 1 29 29 ILE H H 1 9.679 0.002 . . . . . . . . . . 5746 1 52 . 1 1 29 29 ILE N N 15 131.608 0.010 . . . . . . . . . . 5746 1 53 . 1 1 30 30 SER H H 1 8.719 0.002 . . . . . . . . . . 5746 1 54 . 1 1 30 30 SER N N 15 120.850 0.010 . . . . . . . . . . 5746 1 55 . 1 1 31 31 THR H H 1 7.886 0.002 . . . . . . . . . . 5746 1 56 . 1 1 31 31 THR N N 15 118.037 0.010 . . . . . . . . . . 5746 1 57 . 1 1 32 32 GLY H H 1 9.762 0.002 . . . . . . . . . . 5746 1 58 . 1 1 32 32 GLY N N 15 110.722 0.010 . . . . . . . . . . 5746 1 59 . 1 1 33 33 ASP H H 1 6.822 0.002 . . . . . . . . . . 5746 1 60 . 1 1 33 33 ASP N N 15 112.041 0.010 . . . . . . . . . . 5746 1 61 . 1 1 34 34 MET H H 1 8.314 0.002 . . . . . . . . . . 5746 1 62 . 1 1 34 34 MET N N 15 119.223 0.010 . . . . . . . . . . 5746 1 63 . 1 1 35 35 LEU H H 1 8.603 0.002 . . . . . . . . . . 5746 1 64 . 1 1 35 35 LEU N N 15 121.536 0.010 . . . . . . . . . . 5746 1 65 . 1 1 36 36 ARG H H 1 8.574 0.002 . . . . . . . . . . 5746 1 66 . 1 1 36 36 ARG N N 15 118.728 0.010 . . . . . . . . . . 5746 1 67 . 1 1 37 37 ALA H H 1 8.113 0.002 . . . . . . . . . . 5746 1 68 . 1 1 37 37 ALA N N 15 122.057 0.010 . . . . . . . . . . 5746 1 69 . 1 1 38 38 ALA H H 1 7.801 0.002 . . . . . . . . . . 5746 1 70 . 1 1 38 38 ALA N N 15 122.741 0.010 . . . . . . . . . . 5746 1 71 . 1 1 39 39 VAL H H 1 8.214 0.002 . . . . . . . . . . 5746 1 72 . 1 1 39 39 VAL N N 15 119.067 0.010 . . . . . . . . . . 5746 1 73 . 1 1 40 40 LYS H H 1 7.879 0.002 . . . . . . . . . . 5746 1 74 . 1 1 40 40 LYS N N 15 120.106 0.010 . . . . . . . . . . 5746 1 75 . 1 1 41 41 SER H H 1 8.001 0.002 . . . . . . . . . . 5746 1 76 . 1 1 41 41 SER N N 15 112.252 0.010 . . . . . . . . . . 5746 1 77 . 1 1 42 42 GLY H H 1 7.774 0.002 . . . . . . . . . . 5746 1 78 . 1 1 42 42 GLY N N 15 109.425 0.010 . . . . . . . . . . 5746 1 79 . 1 1 43 43 SER H H 1 7.634 0.002 . . . . . . . . . . 5746 1 80 . 1 1 43 43 SER N N 15 113.849 0.010 . . . . . . . . . . 5746 1 81 . 1 1 44 44 GLU H H 1 8.938 0.002 . . . . . . . . . . 5746 1 82 . 1 1 44 44 GLU N N 15 121.378 0.010 . . . . . . . . . . 5746 1 83 . 1 1 45 45 LEU H H 1 8.157 0.002 . . . . . . . . . . 5746 1 84 . 1 1 45 45 LEU N N 15 119.669 0.010 . . . . . . . . . . 5746 1 85 . 1 1 46 46 GLY H H 1 7.796 0.002 . . . . . . . . . . 5746 1 86 . 1 1 46 46 GLY N N 15 106.577 0.010 . . . . . . . . . . 5746 1 87 . 1 1 48 48 GLN H H 1 7.647 0.002 . . . . . . . . . . 5746 1 88 . 1 1 48 48 GLN N N 15 116.660 0.010 . . . . . . . . . . 5746 1 89 . 1 1 49 49 ALA H H 1 8.214 0.002 . . . . . . . . . . 5746 1 90 . 1 1 49 49 ALA N N 15 119.067 0.010 . . . . . . . . . . 5746 1 91 . 1 1 50 50 LYS H H 1 7.941 0.002 . . . . . . . . . . 5746 1 92 . 1 1 50 50 LYS N N 15 117.686 0.010 . . . . . . . . . . 5746 1 93 . 1 1 51 51 ASP H H 1 8.145 0.002 . . . . . . . . . . 5746 1 94 . 1 1 51 51 ASP N N 15 115.789 0.010 . . . . . . . . . . 5746 1 95 . 1 1 52 52 ILE H H 1 7.252 0.002 . . . . . . . . . . 5746 1 96 . 1 1 52 52 ILE N N 15 120.606 0.010 . . . . . . . . . . 5746 1 97 . 1 1 53 53 MET H H 1 8.272 0.002 . . . . . . . . . . 5746 1 98 . 1 1 53 53 MET N N 15 117.953 0.010 . . . . . . . . . . 5746 1 99 . 1 1 54 54 ASP H H 1 8.490 0.002 . . . . . . . . . . 5746 1 100 . 1 1 54 54 ASP N N 15 119.891 0.010 . . . . . . . . . . 5746 1 101 . 1 1 55 55 ALA H H 1 7.201 0.002 . . . . . . . . . . 5746 1 102 . 1 1 55 55 ALA N N 15 118.810 0.010 . . . . . . . . . . 5746 1 103 . 1 1 56 56 GLY H H 1 7.986 0.002 . . . . . . . . . . 5746 1 104 . 1 1 56 56 GLY N N 15 105.640 0.010 . . . . . . . . . . 5746 1 105 . 1 1 57 57 LYS H H 1 7.256 0.002 . . . . . . . . . . 5746 1 106 . 1 1 57 57 LYS N N 15 117.453 0.010 . . . . . . . . . . 5746 1 107 . 1 1 58 58 LEU H H 1 8.978 0.002 . . . . . . . . . . 5746 1 108 . 1 1 58 58 LEU N N 15 120.217 0.010 . . . . . . . . . . 5746 1 109 . 1 1 59 59 VAL H H 1 8.845 0.002 . . . . . . . . . . 5746 1 110 . 1 1 59 59 VAL N N 15 121.189 0.010 . . . . . . . . . . 5746 1 111 . 1 1 60 60 THR H H 1 7.211 0.002 . . . . . . . . . . 5746 1 112 . 1 1 60 60 THR N N 15 118.145 0.010 . . . . . . . . . . 5746 1 113 . 1 1 61 61 ASP H H 1 8.870 0.002 . . . . . . . . . . 5746 1 114 . 1 1 61 61 ASP N N 15 125.608 0.010 . . . . . . . . . . 5746 1 115 . 1 1 62 62 GLU H H 1 9.339 0.002 . . . . . . . . . . 5746 1 116 . 1 1 62 62 GLU N N 15 116.116 0.010 . . . . . . . . . . 5746 1 117 . 1 1 63 63 LEU H H 1 6.964 0.002 . . . . . . . . . . 5746 1 118 . 1 1 63 63 LEU N N 15 116.692 0.010 . . . . . . . . . . 5746 1 119 . 1 1 64 64 VAL H H 1 7.106 0.002 . . . . . . . . . . 5746 1 120 . 1 1 64 64 VAL N N 15 115.095 0.010 . . . . . . . . . . 5746 1 121 . 1 1 65 65 ILE H H 1 8.850 0.002 . . . . . . . . . . 5746 1 122 . 1 1 65 65 ILE N N 15 119.648 0.010 . . . . . . . . . . 5746 1 123 . 1 1 66 66 ALA H H 1 7.143 0.002 . . . . . . . . . . 5746 1 124 . 1 1 66 66 ALA N N 15 119.020 0.010 . . . . . . . . . . 5746 1 125 . 1 1 67 67 LEU H H 1 7.152 0.002 . . . . . . . . . . 5746 1 126 . 1 1 67 67 LEU N N 15 117.612 0.010 . . . . . . . . . . 5746 1 127 . 1 1 68 68 VAL H H 1 7.843 0.002 . . . . . . . . . . 5746 1 128 . 1 1 68 68 VAL N N 15 118.785 0.010 . . . . . . . . . . 5746 1 129 . 1 1 69 69 LYS H H 1 8.355 0.002 . . . . . . . . . . 5746 1 130 . 1 1 69 69 LYS N N 15 117.630 0.010 . . . . . . . . . . 5746 1 131 . 1 1 70 70 GLU H H 1 7.347 0.002 . . . . . . . . . . 5746 1 132 . 1 1 70 70 GLU N N 15 115.953 0.010 . . . . . . . . . . 5746 1 133 . 1 1 71 71 ARG H H 1 7.438 0.002 . . . . . . . . . . 5746 1 134 . 1 1 71 71 ARG N N 15 119.705 0.010 . . . . . . . . . . 5746 1 135 . 1 1 72 72 ILE H H 1 8.197 0.002 . . . . . . . . . . 5746 1 136 . 1 1 72 72 ILE N N 15 111.514 0.010 . . . . . . . . . . 5746 1 137 . 1 1 73 73 ALA H H 1 6.854 0.002 . . . . . . . . . . 5746 1 138 . 1 1 73 73 ALA N N 15 120.851 0.010 . . . . . . . . . . 5746 1 139 . 1 1 74 74 GLN H H 1 7.190 0.002 . . . . . . . . . . 5746 1 140 . 1 1 74 74 GLN N N 15 115.999 0.010 . . . . . . . . . . 5746 1 141 . 1 1 75 75 GLU H H 1 8.938 0.002 . . . . . . . . . . 5746 1 142 . 1 1 75 75 GLU N N 15 121.378 0.010 . . . . . . . . . . 5746 1 143 . 1 1 76 76 ASP H H 1 8.465 0.002 . . . . . . . . . . 5746 1 144 . 1 1 76 76 ASP N N 15 117.029 0.010 . . . . . . . . . . 5746 1 145 . 1 1 77 77 CYS H H 1 7.656 0.002 . . . . . . . . . . 5746 1 146 . 1 1 77 77 CYS N N 15 117.479 0.010 . . . . . . . . . . 5746 1 147 . 1 1 78 78 ARG H H 1 7.703 0.002 . . . . . . . . . . 5746 1 148 . 1 1 78 78 ARG N N 15 121.371 0.010 . . . . . . . . . . 5746 1 149 . 1 1 79 79 ASN H H 1 8.396 0.002 . . . . . . . . . . 5746 1 150 . 1 1 79 79 ASN N N 15 114.805 0.010 . . . . . . . . . . 5746 1 151 . 1 1 80 80 GLY H H 1 7.368 0.002 . . . . . . . . . . 5746 1 152 . 1 1 80 80 GLY N N 15 107.002 0.010 . . . . . . . . . . 5746 1 153 . 1 1 81 81 PHE H H 1 7.595 0.002 . . . . . . . . . . 5746 1 154 . 1 1 81 81 PHE N N 15 109.003 0.010 . . . . . . . . . . 5746 1 155 . 1 1 82 82 LEU H H 1 8.713 0.002 . . . . . . . . . . 5746 1 156 . 1 1 82 82 LEU N N 15 121.158 0.010 . . . . . . . . . . 5746 1 157 . 1 1 83 83 LEU H H 1 9.658 0.002 . . . . . . . . . . 5746 1 158 . 1 1 83 83 LEU N N 15 127.352 0.010 . . . . . . . . . . 5746 1 159 . 1 1 84 84 ASP H H 1 8.663 0.002 . . . . . . . . . . 5746 1 160 . 1 1 84 84 ASP N N 15 123.535 0.010 . . . . . . . . . . 5746 1 161 . 1 1 85 85 GLY H H 1 7.906 0.002 . . . . . . . . . . 5746 1 162 . 1 1 85 85 GLY N N 15 109.127 0.010 . . . . . . . . . . 5746 1 163 . 1 1 86 86 PHE H H 1 7.355 0.002 . . . . . . . . . . 5746 1 164 . 1 1 86 86 PHE N N 15 118.286 0.010 . . . . . . . . . . 5746 1 165 . 1 1 88 88 ARG H H 1 7.954 0.002 . . . . . . . . . . 5746 1 166 . 1 1 88 88 ARG N N 15 118.795 0.010 . . . . . . . . . . 5746 1 167 . 1 1 89 89 THR H H 1 7.055 0.002 . . . . . . . . . . 5746 1 168 . 1 1 89 89 THR N N 15 106.974 0.010 . . . . . . . . . . 5746 1 169 . 1 1 90 90 ILE H H 1 9.726 0.002 . . . . . . . . . . 5746 1 170 . 1 1 90 90 ILE N N 15 123.198 0.010 . . . . . . . . . . 5746 1 171 . 1 1 92 92 GLN H H 1 7.176 0.002 . . . . . . . . . . 5746 1 172 . 1 1 92 92 GLN N N 15 114.989 0.010 . . . . . . . . . . 5746 1 173 . 1 1 93 93 ALA H H 1 7.521 0.002 . . . . . . . . . . 5746 1 174 . 1 1 93 93 ALA N N 15 123.543 0.010 . . . . . . . . . . 5746 1 175 . 1 1 94 94 ASP H H 1 9.132 0.002 . . . . . . . . . . 5746 1 176 . 1 1 94 94 ASP N N 15 120.396 0.010 . . . . . . . . . . 5746 1 177 . 1 1 95 95 ALA H H 1 7.944 0.002 . . . . . . . . . . 5746 1 178 . 1 1 95 95 ALA N N 15 121.747 0.010 . . . . . . . . . . 5746 1 179 . 1 1 96 96 MET H H 1 7.522 0.002 . . . . . . . . . . 5746 1 180 . 1 1 96 96 MET N N 15 116.730 0.010 . . . . . . . . . . 5746 1 181 . 1 1 97 97 LYS H H 1 7.460 0.002 . . . . . . . . . . 5746 1 182 . 1 1 97 97 LYS N N 15 117.998 0.010 . . . . . . . . . . 5746 1 183 . 1 1 98 98 GLU H H 1 7.440 0.002 . . . . . . . . . . 5746 1 184 . 1 1 98 98 GLU N N 15 119.107 0.010 . . . . . . . . . . 5746 1 185 . 1 1 99 99 ALA H H 1 7.313 0.002 . . . . . . . . . . 5746 1 186 . 1 1 99 99 ALA N N 15 117.804 0.010 . . . . . . . . . . 5746 1 187 . 1 1 100 100 GLY H H 1 7.884 0.002 . . . . . . . . . . 5746 1 188 . 1 1 100 100 GLY N N 15 107.448 0.010 . . . . . . . . . . 5746 1 189 . 1 1 101 101 ILE H H 1 8.076 0.002 . . . . . . . . . . 5746 1 190 . 1 1 101 101 ILE N N 15 120.940 0.010 . . . . . . . . . . 5746 1 191 . 1 1 102 102 ASN H H 1 8.012 0.002 . . . . . . . . . . 5746 1 192 . 1 1 102 102 ASN N N 15 124.658 0.010 . . . . . . . . . . 5746 1 193 . 1 1 103 103 VAL H H 1 8.804 0.002 . . . . . . . . . . 5746 1 194 . 1 1 103 103 VAL N N 15 113.024 0.010 . . . . . . . . . . 5746 1 195 . 1 1 104 104 ASP H H 1 8.555 0.002 . . . . . . . . . . 5746 1 196 . 1 1 104 104 ASP N N 15 122.717 0.010 . . . . . . . . . . 5746 1 197 . 1 1 105 105 TYR H H 1 7.537 0.002 . . . . . . . . . . 5746 1 198 . 1 1 105 105 TYR N N 15 114.631 0.010 . . . . . . . . . . 5746 1 199 . 1 1 106 106 VAL H H 1 8.742 0.002 . . . . . . . . . . 5746 1 200 . 1 1 106 106 VAL N N 15 122.751 0.010 . . . . . . . . . . 5746 1 201 . 1 1 107 107 LEU H H 1 8.547 0.002 . . . . . . . . . . 5746 1 202 . 1 1 107 107 LEU N N 15 124.721 0.010 . . . . . . . . . . 5746 1 203 . 1 1 108 108 GLU H H 1 8.653 0.002 . . . . . . . . . . 5746 1 204 . 1 1 108 108 GLU N N 15 124.907 0.010 . . . . . . . . . . 5746 1 205 . 1 1 109 109 PHE H H 1 9.276 0.002 . . . . . . . . . . 5746 1 206 . 1 1 109 109 PHE N N 15 127.940 0.010 . . . . . . . . . . 5746 1 207 . 1 1 110 110 ASP H H 1 8.844 0.002 . . . . . . . . . . 5746 1 208 . 1 1 110 110 ASP N N 15 125.143 0.010 . . . . . . . . . . 5746 1 209 . 1 1 111 111 VAL H H 1 7.525 0.002 . . . . . . . . . . 5746 1 210 . 1 1 111 111 VAL N N 15 124.528 0.010 . . . . . . . . . . 5746 1 211 . 1 1 113 113 ASP H H 1 8.713 0.002 . . . . . . . . . . 5746 1 212 . 1 1 113 113 ASP N N 15 121.158 0.010 . . . . . . . . . . 5746 1 213 . 1 1 114 114 GLU H H 1 9.086 0.002 . . . . . . . . . . 5746 1 214 . 1 1 114 114 GLU N N 15 114.680 0.010 . . . . . . . . . . 5746 1 215 . 1 1 115 115 LEU H H 1 7.159 0.002 . . . . . . . . . . 5746 1 216 . 1 1 115 115 LEU N N 15 117.862 0.010 . . . . . . . . . . 5746 1 217 . 1 1 116 116 ILE H H 1 7.366 0.002 . . . . . . . . . . 5746 1 218 . 1 1 116 116 ILE N N 15 119.133 0.010 . . . . . . . . . . 5746 1 219 . 1 1 117 117 VAL H H 1 8.029 0.002 . . . . . . . . . . 5746 1 220 . 1 1 117 117 VAL N N 15 117.955 0.010 . . . . . . . . . . 5746 1 221 . 1 1 118 118 ASP H H 1 7.751 0.002 . . . . . . . . . . 5746 1 222 . 1 1 118 118 ASP N N 15 116.344 0.010 . . . . . . . . . . 5746 1 223 . 1 1 119 119 ARG H H 1 8.068 0.002 . . . . . . . . . . 5746 1 224 . 1 1 119 119 ARG N N 15 118.671 0.010 . . . . . . . . . . 5746 1 225 . 1 1 120 120 ILE H H 1 8.153 0.002 . . . . . . . . . . 5746 1 226 . 1 1 120 120 ILE N N 15 116.571 0.010 . . . . . . . . . . 5746 1 227 . 1 1 121 121 VAL H H 1 8.363 0.002 . . . . . . . . . . 5746 1 228 . 1 1 121 121 VAL N N 15 115.864 0.010 . . . . . . . . . . 5746 1 229 . 1 1 122 122 GLY H H 1 7.230 0.002 . . . . . . . . . . 5746 1 230 . 1 1 122 122 GLY N N 15 104.235 0.010 . . . . . . . . . . 5746 1 231 . 1 1 123 123 ARG H H 1 7.660 0.002 . . . . . . . . . . 5746 1 232 . 1 1 123 123 ARG N N 15 121.663 0.010 . . . . . . . . . . 5746 1 233 . 1 1 124 124 ARG H H 1 8.409 0.002 . . . . . . . . . . 5746 1 234 . 1 1 124 124 ARG N N 15 128.432 0.010 . . . . . . . . . . 5746 1 235 . 1 1 125 125 VAL H H 1 9.298 0.002 . . . . . . . . . . 5746 1 236 . 1 1 125 125 VAL N N 15 116.166 0.010 . . . . . . . . . . 5746 1 237 . 1 1 126 126 HIS H H 1 9.146 0.002 . . . . . . . . . . 5746 1 238 . 1 1 126 126 HIS N N 15 125.331 0.010 . . . . . . . . . . 5746 1 239 . 1 1 127 127 ALA H H 1 8.991 0.002 . . . . . . . . . . 5746 1 240 . 1 1 127 127 ALA N N 15 128.916 0.010 . . . . . . . . . . 5746 1 241 . 1 1 129 129 SER H H 1 6.768 0.002 . . . . . . . . . . 5746 1 242 . 1 1 129 129 SER N N 15 107.245 0.010 . . . . . . . . . . 5746 1 243 . 1 1 130 130 GLY H H 1 8.508 0.002 . . . . . . . . . . 5746 1 244 . 1 1 130 130 GLY N N 15 112.489 0.010 . . . . . . . . . . 5746 1 245 . 1 1 131 131 ARG H H 1 8.425 0.002 . . . . . . . . . . 5746 1 246 . 1 1 131 131 ARG N N 15 121.509 0.010 . . . . . . . . . . 5746 1 247 . 1 1 132 132 VAL H H 1 7.987 0.002 . . . . . . . . . . 5746 1 248 . 1 1 132 132 VAL N N 15 118.595 0.010 . . . . . . . . . . 5746 1 249 . 1 1 133 133 TYR H H 1 9.284 0.002 . . . . . . . . . . 5746 1 250 . 1 1 133 133 TYR N N 15 124.953 0.010 . . . . . . . . . . 5746 1 251 . 1 1 134 134 HIS H H 1 8.464 0.002 . . . . . . . . . . 5746 1 252 . 1 1 134 134 HIS N N 15 121.810 0.010 . . . . . . . . . . 5746 1 253 . 1 1 135 135 VAL H H 1 7.961 0.002 . . . . . . . . . . 5746 1 254 . 1 1 135 135 VAL N N 15 119.781 0.010 . . . . . . . . . . 5746 1 255 . 1 1 136 136 LYS H H 1 9.534 0.002 . . . . . . . . . . 5746 1 256 . 1 1 136 136 LYS N N 15 119.613 0.010 . . . . . . . . . . 5746 1 257 . 1 1 137 137 PHE H H 1 9.068 0.002 . . . . . . . . . . 5746 1 258 . 1 1 137 137 PHE N N 15 117.612 0.010 . . . . . . . . . . 5746 1 259 . 1 1 138 138 ASN H H 1 8.010 0.002 . . . . . . . . . . 5746 1 260 . 1 1 138 138 ASN N N 15 112.819 0.010 . . . . . . . . . . 5746 1 261 . 1 1 141 141 LYS H H 1 10.114 0.002 . . . . . . . . . . 5746 1 262 . 1 1 141 141 LYS N N 15 123.487 0.010 . . . . . . . . . . 5746 1 263 . 1 1 142 142 VAL H H 1 8.798 0.002 . . . . . . . . . . 5746 1 264 . 1 1 142 142 VAL N N 15 120.246 0.010 . . . . . . . . . . 5746 1 265 . 1 1 143 143 GLU H H 1 8.116 0.002 . . . . . . . . . . 5746 1 266 . 1 1 143 143 GLU N N 15 125.129 0.010 . . . . . . . . . . 5746 1 267 . 1 1 144 144 GLY H H 1 8.736 0.002 . . . . . . . . . . 5746 1 268 . 1 1 144 144 GLY N N 15 111.085 0.010 . . . . . . . . . . 5746 1 269 . 1 1 145 145 LYS H H 1 7.972 0.002 . . . . . . . . . . 5746 1 270 . 1 1 145 145 LYS N N 15 119.052 0.010 . . . . . . . . . . 5746 1 271 . 1 1 146 146 ASP H H 1 9.035 0.002 . . . . . . . . . . 5746 1 272 . 1 1 146 146 ASP N N 15 119.471 0.010 . . . . . . . . . . 5746 1 273 . 1 1 147 147 ASP H H 1 7.926 0.002 . . . . . . . . . . 5746 1 274 . 1 1 147 147 ASP N N 15 126.593 0.010 . . . . . . . . . . 5746 1 275 . 1 1 148 148 VAL H H 1 6.347 0.002 . . . . . . . . . . 5746 1 276 . 1 1 148 148 VAL N N 15 114.808 0.010 . . . . . . . . . . 5746 1 277 . 1 1 149 149 THR H H 1 7.507 0.002 . . . . . . . . . . 5746 1 278 . 1 1 149 149 THR N N 15 105.177 0.010 . . . . . . . . . . 5746 1 279 . 1 1 150 150 GLY H H 1 7.837 0.002 . . . . . . . . . . 5746 1 280 . 1 1 150 150 GLY N N 15 110.666 0.010 . . . . . . . . . . 5746 1 281 . 1 1 151 151 GLU H H 1 7.634 0.002 . . . . . . . . . . 5746 1 282 . 1 1 151 151 GLU N N 15 118.282 0.010 . . . . . . . . . . 5746 1 283 . 1 1 152 152 GLU H H 1 8.672 0.002 . . . . . . . . . . 5746 1 284 . 1 1 152 152 GLU N N 15 119.382 0.010 . . . . . . . . . . 5746 1 285 . 1 1 153 153 LEU H H 1 7.922 0.002 . . . . . . . . . . 5746 1 286 . 1 1 153 153 LEU N N 15 120.684 0.010 . . . . . . . . . . 5746 1 287 . 1 1 154 154 THR H H 1 9.327 0.002 . . . . . . . . . . 5746 1 288 . 1 1 154 154 THR N N 15 113.313 0.010 . . . . . . . . . . 5746 1 289 . 1 1 155 155 THR H H 1 8.287 0.002 . . . . . . . . . . 5746 1 290 . 1 1 155 155 THR N N 15 113.139 0.010 . . . . . . . . . . 5746 1 291 . 1 1 156 156 ARG H H 1 9.764 0.002 . . . . . . . . . . 5746 1 292 . 1 1 156 156 ARG N N 15 126.098 0.010 . . . . . . . . . . 5746 1 293 . 1 1 157 157 LYS H H 1 8.655 0.002 . . . . . . . . . . 5746 1 294 . 1 1 157 157 LYS N N 15 121.290 0.010 . . . . . . . . . . 5746 1 295 . 1 1 158 158 ASP H H 1 8.709 0.002 . . . . . . . . . . 5746 1 296 . 1 1 158 158 ASP N N 15 112.628 0.010 . . . . . . . . . . 5746 1 297 . 1 1 159 159 ASP H H 1 7.319 0.002 . . . . . . . . . . 5746 1 298 . 1 1 159 159 ASP N N 15 121.450 0.010 . . . . . . . . . . 5746 1 299 . 1 1 160 160 GLN H H 1 7.074 0.002 . . . . . . . . . . 5746 1 300 . 1 1 160 160 GLN N N 15 117.387 0.010 . . . . . . . . . . 5746 1 301 . 1 1 161 161 GLU H H 1 9.199 0.002 . . . . . . . . . . 5746 1 302 . 1 1 161 161 GLU N N 15 124.491 0.010 . . . . . . . . . . 5746 1 303 . 1 1 162 162 GLU H H 1 9.156 0.002 . . . . . . . . . . 5746 1 304 . 1 1 162 162 GLU N N 15 116.080 0.010 . . . . . . . . . . 5746 1 305 . 1 1 163 163 THR H H 1 7.313 0.002 . . . . . . . . . . 5746 1 306 . 1 1 163 163 THR N N 15 115.449 0.010 . . . . . . . . . . 5746 1 307 . 1 1 164 164 VAL H H 1 8.515 0.002 . . . . . . . . . . 5746 1 308 . 1 1 164 164 VAL N N 15 123.371 0.010 . . . . . . . . . . 5746 1 309 . 1 1 165 165 ARG H H 1 8.173 0.002 . . . . . . . . . . 5746 1 310 . 1 1 165 165 ARG N N 15 117.269 0.010 . . . . . . . . . . 5746 1 311 . 1 1 166 166 LYS H H 1 7.490 0.002 . . . . . . . . . . 5746 1 312 . 1 1 166 166 LYS N N 15 119.201 0.010 . . . . . . . . . . 5746 1 313 . 1 1 167 167 ARG H H 1 8.481 0.002 . . . . . . . . . . 5746 1 314 . 1 1 167 167 ARG N N 15 119.448 0.010 . . . . . . . . . . 5746 1 315 . 1 1 168 168 LEU H H 1 8.603 0.002 . . . . . . . . . . 5746 1 316 . 1 1 168 168 LEU N N 15 123.102 0.010 . . . . . . . . . . 5746 1 317 . 1 1 169 169 VAL H H 1 8.278 0.002 . . . . . . . . . . 5746 1 318 . 1 1 169 169 VAL N N 15 118.967 0.010 . . . . . . . . . . 5746 1 319 . 1 1 170 170 GLU H H 1 7.987 0.002 . . . . . . . . . . 5746 1 320 . 1 1 170 170 GLU N N 15 118.595 0.010 . . . . . . . . . . 5746 1 321 . 1 1 171 171 TYR H H 1 8.236 0.002 . . . . . . . . . . 5746 1 322 . 1 1 171 171 TYR N N 15 119.385 0.010 . . . . . . . . . . 5746 1 323 . 1 1 172 172 HIS H H 1 8.527 0.002 . . . . . . . . . . 5746 1 324 . 1 1 172 172 HIS N N 15 119.281 0.010 . . . . . . . . . . 5746 1 325 . 1 1 173 173 GLN H H 1 8.023 0.002 . . . . . . . . . . 5746 1 326 . 1 1 173 173 GLN N N 15 115.117 0.010 . . . . . . . . . . 5746 1 327 . 1 1 174 174 MET H H 1 8.595 0.002 . . . . . . . . . . 5746 1 328 . 1 1 174 174 MET N N 15 112.396 0.010 . . . . . . . . . . 5746 1 329 . 1 1 175 175 THR H H 1 7.892 0.002 . . . . . . . . . . 5746 1 330 . 1 1 175 175 THR N N 15 116.620 0.010 . . . . . . . . . . 5746 1 331 . 1 1 176 176 ALA H H 1 7.839 0.002 . . . . . . . . . . 5746 1 332 . 1 1 176 176 ALA N N 15 125.154 0.010 . . . . . . . . . . 5746 1 333 . 1 1 178 178 LEU H H 1 8.682 0.002 . . . . . . . . . . 5746 1 334 . 1 1 178 178 LEU N N 15 116.977 0.010 . . . . . . . . . . 5746 1 335 . 1 1 179 179 ILE H H 1 8.108 0.002 . . . . . . . . . . 5746 1 336 . 1 1 179 179 ILE N N 15 122.630 0.010 . . . . . . . . . . 5746 1 337 . 1 1 180 180 GLY H H 1 7.722 0.002 . . . . . . . . . . 5746 1 338 . 1 1 180 180 GLY N N 15 108.702 0.010 . . . . . . . . . . 5746 1 339 . 1 1 181 181 TYR H H 1 7.600 0.002 . . . . . . . . . . 5746 1 340 . 1 1 181 181 TYR N N 15 122.547 0.010 . . . . . . . . . . 5746 1 341 . 1 1 182 182 TYR H H 1 9.045 0.002 . . . . . . . . . . 5746 1 342 . 1 1 182 182 TYR N N 15 116.316 0.010 . . . . . . . . . . 5746 1 343 . 1 1 183 183 SER H H 1 8.314 0.002 . . . . . . . . . . 5746 1 344 . 1 1 183 183 SER N N 15 119.223 0.010 . . . . . . . . . . 5746 1 345 . 1 1 184 184 LYS H H 1 7.699 0.002 . . . . . . . . . . 5746 1 346 . 1 1 184 184 LYS N N 15 122.763 0.010 . . . . . . . . . . 5746 1 347 . 1 1 185 185 GLU H H 1 8.631 0.002 . . . . . . . . . . 5746 1 348 . 1 1 185 185 GLU N N 15 120.481 0.010 . . . . . . . . . . 5746 1 349 . 1 1 186 186 ALA H H 1 8.302 0.002 . . . . . . . . . . 5746 1 350 . 1 1 186 186 ALA N N 15 122.256 0.010 . . . . . . . . . . 5746 1 351 . 1 1 187 187 GLU H H 1 8.113 0.002 . . . . . . . . . . 5746 1 352 . 1 1 187 187 GLU N N 15 122.057 0.010 . . . . . . . . . . 5746 1 353 . 1 1 188 188 ALA H H 1 7.461 0.002 . . . . . . . . . . 5746 1 354 . 1 1 188 188 ALA N N 15 118.215 0.010 . . . . . . . . . . 5746 1 355 . 1 1 189 189 GLY H H 1 7.875 0.002 . . . . . . . . . . 5746 1 356 . 1 1 189 189 GLY N N 15 104.804 0.010 . . . . . . . . . . 5746 1 357 . 1 1 190 190 ASN H H 1 8.181 0.002 . . . . . . . . . . 5746 1 358 . 1 1 190 190 ASN N N 15 116.418 0.010 . . . . . . . . . . 5746 1 359 . 1 1 191 191 THR H H 1 7.497 0.002 . . . . . . . . . . 5746 1 360 . 1 1 191 191 THR N N 15 112.286 0.010 . . . . . . . . . . 5746 1 361 . 1 1 192 192 LYS H H 1 7.801 0.002 . . . . . . . . . . 5746 1 362 . 1 1 192 192 LYS N N 15 122.741 0.010 . . . . . . . . . . 5746 1 363 . 1 1 193 193 TYR H H 1 8.641 0.002 . . . . . . . . . . 5746 1 364 . 1 1 193 193 TYR N N 15 125.151 0.010 . . . . . . . . . . 5746 1 365 . 1 1 194 194 ALA H H 1 8.559 0.002 . . . . . . . . . . 5746 1 366 . 1 1 194 194 ALA N N 15 130.919 0.010 . . . . . . . . . . 5746 1 367 . 1 1 195 195 LYS H H 1 8.405 0.002 . . . . . . . . . . 5746 1 368 . 1 1 195 195 LYS N N 15 121.961 0.010 . . . . . . . . . . 5746 1 369 . 1 1 196 196 VAL H H 1 9.286 0.002 . . . . . . . . . . 5746 1 370 . 1 1 196 196 VAL N N 15 124.784 0.010 . . . . . . . . . . 5746 1 371 . 1 1 197 197 ASP H H 1 8.748 0.002 . . . . . . . . . . 5746 1 372 . 1 1 197 197 ASP N N 15 123.606 0.010 . . . . . . . . . . 5746 1 373 . 1 1 198 198 GLY H H 1 8.403 0.002 . . . . . . . . . . 5746 1 374 . 1 1 198 198 GLY N N 15 111.547 0.010 . . . . . . . . . . 5746 1 375 . 1 1 199 199 THR H H 1 8.791 0.002 . . . . . . . . . . 5746 1 376 . 1 1 199 199 THR N N 15 111.601 0.010 . . . . . . . . . . 5746 1 377 . 1 1 200 200 LYS H H 1 6.399 0.002 . . . . . . . . . . 5746 1 378 . 1 1 200 200 LYS N N 15 122.114 0.010 . . . . . . . . . . 5746 1 379 . 1 1 202 202 VAL H H 1 8.215 0.002 . . . . . . . . . . 5746 1 380 . 1 1 202 202 VAL N N 15 122.258 0.010 . . . . . . . . . . 5746 1 381 . 1 1 203 203 ALA H H 1 8.856 0.002 . . . . . . . . . . 5746 1 382 . 1 1 203 203 ALA N N 15 117.798 0.010 . . . . . . . . . . 5746 1 383 . 1 1 204 204 GLU H H 1 7.397 0.002 . . . . . . . . . . 5746 1 384 . 1 1 204 204 GLU N N 15 117.918 0.010 . . . . . . . . . . 5746 1 385 . 1 1 205 205 VAL H H 1 7.964 0.002 . . . . . . . . . . 5746 1 386 . 1 1 205 205 VAL N N 15 121.320 0.010 . . . . . . . . . . 5746 1 387 . 1 1 206 206 ARG H H 1 7.767 0.002 . . . . . . . . . . 5746 1 388 . 1 1 206 206 ARG N N 15 118.154 0.010 . . . . . . . . . . 5746 1 389 . 1 1 207 207 ALA H H 1 7.233 0.002 . . . . . . . . . . 5746 1 390 . 1 1 207 207 ALA N N 15 119.867 0.010 . . . . . . . . . . 5746 1 391 . 1 1 208 208 ASP H H 1 8.068 0.002 . . . . . . . . . . 5746 1 392 . 1 1 208 208 ASP N N 15 120.679 0.010 . . . . . . . . . . 5746 1 393 . 1 1 209 209 LEU H H 1 8.353 0.002 . . . . . . . . . . 5746 1 394 . 1 1 209 209 LEU N N 15 120.559 0.010 . . . . . . . . . . 5746 1 395 . 1 1 210 210 GLU H H 1 7.867 0.002 . . . . . . . . . . 5746 1 396 . 1 1 210 210 GLU N N 15 120.859 0.010 . . . . . . . . . . 5746 1 397 . 1 1 211 211 LYS H H 1 7.465 0.002 . . . . . . . . . . 5746 1 398 . 1 1 211 211 LYS N N 15 117.629 0.010 . . . . . . . . . . 5746 1 399 . 1 1 212 212 ILE H H 1 7.313 0.002 . . . . . . . . . . 5746 1 400 . 1 1 212 212 ILE N N 15 118.799 0.010 . . . . . . . . . . 5746 1 401 . 1 1 213 213 LEU H H 1 7.959 0.002 . . . . . . . . . . 5746 1 402 . 1 1 213 213 LEU N N 15 117.057 0.010 . . . . . . . . . . 5746 1 403 . 1 1 214 214 GLY H H 1 7.695 0.002 . . . . . . . . . . 5746 1 404 . 1 1 214 214 GLY N N 15 111.787 0.010 . . . . . . . . . . 5746 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600 _Heteronucl_NOE_list.Entry_ID 5746 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5746 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 . . . 2 2 ARG . . . . . . 2 2 ARG . . . 0.786 0.007 . . . . . . . . . . 5746 1 2 . . . 3 3 ILE . . . . . . 3 3 ILE . . . 0.797 0.007 . . . . . . . . . . 5746 1 3 . . . 4 4 ILE . . . . . . 4 4 ILE . . . 0.809 0.007 . . . . . . . . . . 5746 1 4 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.806 0.014 . . . . . . . . . . 5746 1 5 . . . 6 6 LEU . . . . . . 6 6 LEU . . . 0.810 0.008 . . . . . . . . . . 5746 1 6 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.752 0.007 . . . . . . . . . . 5746 1 7 . . . 8 8 ALA . . . . . . 8 8 ALA . . . 0.821 0.009 . . . . . . . . . . 5746 1 8 . . . 10 10 GLY . . . . . . 10 10 GLY . . . 0.825 0.023 . . . . . . . . . . 5746 1 9 . . . 11 11 ALA . . . . . . 11 11 ALA . . . 0.797 0.009 . . . . . . . . . . 5746 1 10 . . . 12 12 GLY . . . . . . 12 12 GLY . . . 0.834 0.015 . . . . . . . . . . 5746 1 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.728 0.007 . . . . . . . . . . 5746 1 12 . . . 15 15 THR . . . . . . 15 15 THR . . . 0.809 0.008 . . . . . . . . . . 5746 1 13 . . . 16 16 GLN . . . . . . 16 16 GLN . . . 0.832 0.012 . . . . . . . . . . 5746 1 14 . . . 17 17 ALA . . . . . . 17 17 ALA . . . 0.827 0.008 . . . . . . . . . . 5746 1 15 . . . 18 18 GLN . . . . . . 18 18 GLN . . . 0.791 0.007 . . . . . . . . . . 5746 1 16 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.792 0.007 . . . . . . . . . . 5746 1 17 . . . 21 21 MET . . . . . . 21 21 MET . . . 0.802 0.011 . . . . . . . . . . 5746 1 18 . . . 22 22 GLU . . . . . . 22 22 GLU . . . 0.792 0.011 . . . . . . . . . . 5746 1 19 . . . 23 23 LYS . . . . . . 23 23 LYS . . . 0.783 0.007 . . . . . . . . . . 5746 1 20 . . . 24 24 TYR . . . . . . 24 24 TYR . . . 0.795 0.007 . . . . . . . . . . 5746 1 21 . . . 25 25 GLY . . . . . . 25 25 GLY . . . 0.796 0.007 . . . . . . . . . . 5746 1 22 . . . 26 26 ILE . . . . . . 26 26 ILE . . . 0.805 0.007 . . . . . . . . . . 5746 1 23 . . . 28 28 GLN . . . . . . 28 28 GLN . . . 0.766 0.007 . . . . . . . . . . 5746 1 24 . . . 29 29 ILE . . . . . . 29 29 ILE . . . 0.798 0.007 . . . . . . . . . . 5746 1 25 . . . 30 30 SER . . . . . . 30 30 SER . . . 0.800 0.007 . . . . . . . . . . 5746 1 26 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.828 0.008 . . . . . . . . . . 5746 1 27 . . . 32 32 GLY . . . . . . 32 32 GLY . . . 0.835 0.025 . . . . . . . . . . 5746 1 28 . . . 33 33 ASP . . . . . . 33 33 ASP . . . 0.613 0.018 . . . . . . . . . . 5746 1 29 . . . 34 34 MET . . . . . . 34 34 MET . . . 0.822 0.008 . . . . . . . . . . 5746 1 30 . . . 35 35 LEU . . . . . . 35 35 LEU . . . 0.819 0.010 . . . . . . . . . . 5746 1 31 . . . 36 36 ARG . . . . . . 36 36 ARG . . . 0.811 0.008 . . . . . . . . . . 5746 1 32 . . . 37 37 ALA . . . . . . 37 37 ALA . . . 0.805 0.007 . . . . . . . . . . 5746 1 33 . . . 38 38 ALA . . . . . . 38 38 ALA . . . 0.773 0.007 . . . . . . . . . . 5746 1 34 . . . 39 39 VAL . . . . . . 39 39 VAL . . . 0.702 0.016 . . . . . . . . . . 5746 1 35 . . . 40 40 LYS . . . . . . 40 40 LYS . . . 0.784 0.007 . . . . . . . . . . 5746 1 36 . . . 41 41 SER . . . . . . 41 41 SER . . . 0.746 0.007 . . . . . . . . . . 5746 1 37 . . . 42 42 GLY . . . . . . 42 42 GLY . . . 0.763 0.007 . . . . . . . . . . 5746 1 38 . . . 43 43 SER . . . . . . 43 43 SER . . . 0.669 0.006 . . . . . . . . . . 5746 1 39 . . . 44 44 GLU . . . . . . 44 44 GLU . . . 0.759 0.009 . . . . . . . . . . 5746 1 40 . . . 45 45 LEU . . . . . . 45 45 LEU . . . 0.697 0.006 . . . . . . . . . . 5746 1 41 . . . 46 46 GLY . . . . . . 46 46 GLY . . . 0.754 0.007 . . . . . . . . . . 5746 1 42 . . . 48 48 GLN . . . . . . 48 48 GLN . . . 0.671 0.009 . . . . . . . . . . 5746 1 43 . . . 49 49 ALA . . . . . . 49 49 ALA . . . 0.755 0.009 . . . . . . . . . . 5746 1 44 . . . 50 50 LYS . . . . . . 50 50 LYS . . . 0.788 0.007 . . . . . . . . . . 5746 1 45 . . . 51 51 ASP . . . . . . 51 51 ASP . . . 0.724 0.007 . . . . . . . . . . 5746 1 46 . . . 52 52 ILE . . . . . . 52 52 ILE . . . 0.742 0.007 . . . . . . . . . . 5746 1 47 . . . 53 53 MET . . . . . . 53 53 MET . . . 0.796 0.007 . . . . . . . . . . 5746 1 48 . . . 54 54 ASP . . . . . . 54 54 ASP . . . 0.797 0.009 . . . . . . . . . . 5746 1 49 . . . 55 55 ALA . . . . . . 55 55 ALA . . . 0.783 0.007 . . . . . . . . . . 5746 1 50 . . . 56 56 GLY . . . . . . 56 56 GLY . . . 0.794 0.007 . . . . . . . . . . 5746 1 51 . . . 57 57 LYS . . . . . . 57 57 LYS . . . 0.796 0.007 . . . . . . . . . . 5746 1 52 . . . 58 58 LEU . . . . . . 58 58 LEU . . . 0.695 0.008 . . . . . . . . . . 5746 1 53 . . . 59 59 VAL . . . . . . 59 59 VAL . . . 0.789 0.011 . . . . . . . . . . 5746 1 54 . . . 60 60 THR . . . . . . 60 60 THR . . . 0.730 0.014 . . . . . . . . . . 5746 1 55 . . . 61 61 ASP . . . . . . 61 61 ASP . . . 0.796 0.008 . . . . . . . . . . 5746 1 56 . . . 62 62 GLU . . . . . . 62 62 GLU . . . 0.781 0.007 . . . . . . . . . . 5746 1 57 . . . 63 63 LEU . . . . . . 63 63 LEU . . . 0.793 0.008 . . . . . . . . . . 5746 1 58 . . . 64 64 VAL . . . . . . 64 64 VAL . . . 0.721 0.019 . . . . . . . . . . 5746 1 59 . . . 65 65 ILE . . . . . . 65 65 ILE . . . 0.823 0.008 . . . . . . . . . . 5746 1 60 . . . 66 66 ALA . . . . . . 66 66 ALA . . . 0.813 0.011 . . . . . . . . . . 5746 1 61 . . . 67 67 LEU . . . . . . 67 67 LEU . . . 0.801 0.011 . . . . . . . . . . 5746 1 62 . . . 68 68 VAL . . . . . . 68 68 VAL . . . 0.817 0.008 . . . . . . . . . . 5746 1 63 . . . 69 69 LYS . . . . . . 69 69 LYS . . . 0.824 0.008 . . . . . . . . . . 5746 1 64 . . . 70 70 GLU . . . . . . 70 70 GLU . . . 0.808 0.007 . . . . . . . . . . 5746 1 65 . . . 71 71 ARG . . . . . . 71 71 ARG . . . 0.806 0.007 . . . . . . . . . . 5746 1 66 . . . 72 72 ILE . . . . . . 72 72 ILE . . . 0.818 0.009 . . . . . . . . . . 5746 1 67 . . . 73 73 ALA . . . . . . 73 73 ALA . . . 0.816 0.009 . . . . . . . . . . 5746 1 68 . . . 74 74 GLN . . . . . . 74 74 GLN . . . 0.791 0.007 . . . . . . . . . . 5746 1 69 . . . 75 75 GLU . . . . . . 75 75 GLU . . . 0.759 0.009 . . . . . . . . . . 5746 1 70 . . . 76 76 ASP . . . . . . 76 76 ASP . . . 0.790 0.007 . . . . . . . . . . 5746 1 71 . . . 77 77 CYS . . . . . . 77 77 CYS . . . 0.807 0.007 . . . . . . . . . . 5746 1 72 . . . 78 78 ARG . . . . . . 78 78 ARG . . . 0.790 0.007 . . . . . . . . . . 5746 1 73 . . . 79 79 ASN . . . . . . 79 79 ASN . . . 0.733 0.007 . . . . . . . . . . 5746 1 74 . . . 80 80 GLY . . . . . . 80 80 GLY . . . 0.728 0.007 . . . . . . . . . . 5746 1 75 . . . 81 81 PHE . . . . . . 81 81 PHE . . . 0.816 0.008 . . . . . . . . . . 5746 1 76 . . . 82 82 LEU . . . . . . 82 82 LEU . . . 0.807 0.007 . . . . . . . . . . 5746 1 77 . . . 83 83 LEU . . . . . . 83 83 LEU . . . 0.813 0.008 . . . . . . . . . . 5746 1 78 . . . 84 84 ASP . . . . . . 84 84 ASP . . . 0.810 0.013 . . . . . . . . . . 5746 1 79 . . . 85 85 GLY . . . . . . 85 85 GLY . . . 0.759 0.011 . . . . . . . . . . 5746 1 80 . . . 86 86 PHE . . . . . . 86 86 PHE . . . 0.837 0.008 . . . . . . . . . . 5746 1 81 . . . 88 88 ARG . . . . . . 88 88 ARG . . . 0.787 0.011 . . . . . . . . . . 5746 1 82 . . . 89 89 THR . . . . . . 89 89 THR . . . 0.832 0.008 . . . . . . . . . . 5746 1 83 . . . 90 90 ILE . . . . . . 90 90 ILE . . . 0.817 0.008 . . . . . . . . . . 5746 1 84 . . . 92 92 GLN . . . . . . 92 92 GLN . . . 0.828 0.008 . . . . . . . . . . 5746 1 85 . . . 93 93 ALA . . . . . . 93 93 ALA . . . 0.836 0.008 . . . . . . . . . . 5746 1 86 . . . 94 94 ASP . . . . . . 94 94 ASP . . . 0.826 0.008 . . . . . . . . . . 5746 1 87 . . . 95 95 ALA . . . . . . 95 95 ALA . . . 0.818 0.008 . . . . . . . . . . 5746 1 88 . . . 96 96 MET . . . . . . 96 96 MET . . . 0.811 0.008 . . . . . . . . . . 5746 1 89 . . . 97 97 LYS . . . . . . 97 97 LYS . . . 0.793 0.007 . . . . . . . . . . 5746 1 90 . . . 98 98 GLU . . . . . . 98 98 GLU . . . 0.801 0.011 . . . . . . . . . . 5746 1 91 . . . 99 99 ALA . . . . . . 99 99 ALA . . . 0.768 0.007 . . . . . . . . . . 5746 1 92 . . . 100 100 GLY . . . . . . 100 100 GLY . . . 0.794 0.007 . . . . . . . . . . 5746 1 93 . . . 101 101 ILE . . . . . . 101 101 ILE . . . 0.787 0.007 . . . . . . . . . . 5746 1 94 . . . 102 102 ASN . . . . . . 102 102 ASN . . . 0.649 0.006 . . . . . . . . . . 5746 1 95 . . . 103 103 VAL . . . . . . 103 103 VAL . . . 0.627 0.006 . . . . . . . . . . 5746 1 96 . . . 104 104 ASP . . . . . . 104 104 ASP . . . 0.807 0.016 . . . . . . . . . . 5746 1 97 . . . 105 105 TYR . . . . . . 105 105 TYR . . . 0.803 0.007 . . . . . . . . . . 5746 1 98 . . . 106 106 VAL . . . . . . 106 106 VAL . . . 0.803 0.009 . . . . . . . . . . 5746 1 99 . . . 107 107 LEU . . . . . . 107 107 LEU . . . 0.812 0.008 . . . . . . . . . . 5746 1 100 . . . 108 108 GLU . . . . . . 108 108 GLU . . . 0.817 0.008 . . . . . . . . . . 5746 1 101 . . . 109 109 PHE . . . . . . 109 109 PHE . . . 0.808 0.007 . . . . . . . . . . 5746 1 102 . . . 110 110 ASP . . . . . . 110 110 ASP . . . 0.795 0.007 . . . . . . . . . . 5746 1 103 . . . 111 111 VAL . . . . . . 111 111 VAL . . . 0.764 0.007 . . . . . . . . . . 5746 1 104 . . . 113 113 ASP . . . . . . 113 113 ASP . . . 0.817 0.017 . . . . . . . . . . 5746 1 105 . . . 114 114 GLU . . . . . . 114 114 GLU . . . 0.795 0.007 . . . . . . . . . . 5746 1 106 . . . 115 115 LEU . . . . . . 115 115 LEU . . . 0.792 0.008 . . . . . . . . . . 5746 1 107 . . . 116 116 ILE . . . . . . 116 116 ILE . . . 0.790 0.016 . . . . . . . . . . 5746 1 108 . . . 117 117 VAL . . . . . . 117 117 VAL . . . 0.789 0.008 . . . . . . . . . . 5746 1 109 . . . 118 118 ASP . . . . . . 118 118 ASP . . . 0.761 0.007 . . . . . . . . . . 5746 1 110 . . . 119 119 ARG . . . . . . 119 119 ARG . . . 0.787 0.007 . . . . . . . . . . 5746 1 111 . . . 120 120 ILE . . . . . . 120 120 ILE . . . 0.794 0.014 . . . . . . . . . . 5746 1 112 . . . 121 121 VAL . . . . . . 121 121 VAL . . . 0.814 0.008 . . . . . . . . . . 5746 1 113 . . . 122 122 GLY . . . . . . 122 122 GLY . . . 0.823 0.010 . . . . . . . . . . 5746 1 114 . . . 123 123 ARG . . . . . . 123 123 ARG . . . 0.814 0.008 . . . . . . . . . . 5746 1 115 . . . 124 124 ARG . . . . . . 124 124 ARG . . . 0.809 0.011 . . . . . . . . . . 5746 1 116 . . . 125 125 VAL . . . . . . 125 125 VAL . . . 0.781 0.007 . . . . . . . . . . 5746 1 117 . . . 126 126 HIS . . . . . . 126 126 HIS . . . 0.782 0.007 . . . . . . . . . . 5746 1 118 . . . 127 127 ALA . . . . . . 127 127 ALA . . . 0.746 0.007 . . . . . . . . . . 5746 1 119 . . . 129 129 SER . . . . . . 129 129 SER . . . 0.776 0.010 . . . . . . . . . . 5746 1 120 . . . 130 130 GLY . . . . . . 130 130 GLY . . . 0.771 0.007 . . . . . . . . . . 5746 1 121 . . . 131 131 ARG . . . . . . 131 131 ARG . . . 0.800 0.009 . . . . . . . . . . 5746 1 122 . . . 132 132 VAL . . . . . . 132 132 VAL . . . 0.766 0.008 . . . . . . . . . . 5746 1 123 . . . 133 133 TYR . . . . . . 133 133 TYR . . . 0.759 0.007 . . . . . . . . . . 5746 1 124 . . . 134 134 HIS . . . . . . 134 134 HIS . . . 0.805 0.012 . . . . . . . . . . 5746 1 125 . . . 135 135 VAL . . . . . . 135 135 VAL . . . 0.798 0.007 . . . . . . . . . . 5746 1 126 . . . 136 136 LYS . . . . . . 136 136 LYS . . . 0.787 0.007 . . . . . . . . . . 5746 1 127 . . . 137 137 PHE . . . . . . 137 137 PHE . . . 0.775 0.019 . . . . . . . . . . 5746 1 128 . . . 138 138 ASN . . . . . . 138 138 ASN . . . 0.776 0.007 . . . . . . . . . . 5746 1 129 . . . 141 141 LYS . . . . . . 141 141 LYS . . . 0.784 0.007 . . . . . . . . . . 5746 1 130 . . . 142 142 VAL . . . . . . 142 142 VAL . . . 0.768 0.007 . . . . . . . . . . 5746 1 131 . . . 143 143 GLU . . . . . . 143 143 GLU . . . 0.755 0.008 . . . . . . . . . . 5746 1 132 . . . 144 144 GLY . . . . . . 144 144 GLY . . . 0.775 0.007 . . . . . . . . . . 5746 1 133 . . . 145 145 LYS . . . . . . 145 145 LYS . . . 0.786 0.007 . . . . . . . . . . 5746 1 134 . . . 146 146 ASP . . . . . . 146 146 ASP . . . 0.794 0.007 . . . . . . . . . . 5746 1 135 . . . 147 147 ASP . . . . . . 147 147 ASP . . . 0.802 0.007 . . . . . . . . . . 5746 1 136 . . . 148 148 VAL . . . . . . 148 148 VAL . . . 0.781 0.007 . . . . . . . . . . 5746 1 137 . . . 149 149 THR . . . . . . 149 149 THR . . . 0.799 0.007 . . . . . . . . . . 5746 1 138 . . . 150 150 GLY . . . . . . 150 150 GLY . . . 0.797 0.007 . . . . . . . . . . 5746 1 139 . . . 151 151 GLU . . . . . . 151 151 GLU . . . 0.791 0.007 . . . . . . . . . . 5746 1 140 . . . 152 152 GLU . . . . . . 152 152 GLU . . . 0.734 0.007 . . . . . . . . . . 5746 1 141 . . . 153 153 LEU . . . . . . 153 153 LEU . . . 0.742 0.009 . . . . . . . . . . 5746 1 142 . . . 154 154 THR . . . . . . 154 154 THR . . . 0.777 0.007 . . . . . . . . . . 5746 1 143 . . . 155 155 THR . . . . . . 155 155 THR . . . 0.757 0.008 . . . . . . . . . . 5746 1 144 . . . 156 156 ARG . . . . . . 156 156 ARG . . . 0.773 0.013 . . . . . . . . . . 5746 1 145 . . . 158 158 ASP . . . . . . 158 158 ASP . . . 0.730 0.007 . . . . . . . . . . 5746 1 146 . . . 159 159 ASP . . . . . . 159 159 ASP . . . 0.780 0.013 . . . . . . . . . . 5746 1 147 . . . 160 160 GLN . . . . . . 160 160 GLN . . . 0.593 0.006 . . . . . . . . . . 5746 1 148 . . . 161 161 GLU . . . . . . 161 161 GLU . . . 0.781 0.007 . . . . . . . . . . 5746 1 149 . . . 162 162 GLU . . . . . . 162 162 GLU . . . 0.754 0.007 . . . . . . . . . . 5746 1 150 . . . 163 163 THR . . . . . . 163 163 THR . . . 0.781 0.007 . . . . . . . . . . 5746 1 151 . . . 164 164 VAL . . . . . . 164 164 VAL . . . 0.817 0.009 . . . . . . . . . . 5746 1 152 . . . 165 165 ARG . . . . . . 165 165 ARG . . . 0.816 0.008 . . . . . . . . . . 5746 1 153 . . . 166 166 LYS . . . . . . 166 166 LYS . . . 0.816 0.008 . . . . . . . . . . 5746 1 154 . . . 167 167 ARG . . . . . . 167 167 ARG . . . 0.821 0.010 . . . . . . . . . . 5746 1 155 . . . 168 168 LEU . . . . . . 168 168 LEU . . . 0.799 0.010 . . . . . . . . . . 5746 1 156 . . . 169 169 VAL . . . . . . 169 169 VAL . . . 0.807 0.007 . . . . . . . . . . 5746 1 157 . . . 170 170 GLU . . . . . . 170 170 GLU . . . 0.766 0.008 . . . . . . . . . . 5746 1 158 . . . 171 171 TYR . . . . . . 171 171 TYR . . . 0.835 0.014 . . . . . . . . . . 5746 1 159 . . . 172 172 HIS . . . . . . 172 172 HIS . . . 0.832 0.008 . . . . . . . . . . 5746 1 160 . . . 173 173 GLN . . . . . . 173 173 GLN . . . 0.820 0.008 . . . . . . . . . . 5746 1 161 . . . 174 174 MET . . . . . . 174 174 MET . . . 0.809 0.007 . . . . . . . . . . 5746 1 162 . . . 175 175 THR . . . . . . 175 175 THR . . . 0.823 0.008 . . . . . . . . . . 5746 1 163 . . . 176 176 ALA . . . . . . 176 176 ALA . . . 0.820 0.008 . . . . . . . . . . 5746 1 164 . . . 178 178 LEU . . . . . . 178 178 LEU . . . 0.823 0.009 . . . . . . . . . . 5746 1 165 . . . 179 179 ILE . . . . . . 179 179 ILE . . . 0.826 0.008 . . . . . . . . . . 5746 1 166 . . . 180 180 GLY . . . . . . 180 180 GLY . . . 0.829 0.008 . . . . . . . . . . 5746 1 167 . . . 181 181 TYR . . . . . . 181 181 TYR . . . 0.831 0.008 . . . . . . . . . . 5746 1 168 . . . 182 182 TYR . . . . . . 182 182 TYR . . . 0.839 0.008 . . . . . . . . . . 5746 1 169 . . . 183 183 SER . . . . . . 183 183 SER . . . 0.822 0.008 . . . . . . . . . . 5746 1 170 . . . 184 184 LYS . . . . . . 184 184 LYS . . . 0.815 0.008 . . . . . . . . . . 5746 1 171 . . . 185 185 GLU . . . . . . 185 185 GLU . . . 0.786 0.008 . . . . . . . . . . 5746 1 172 . . . 186 186 ALA . . . . . . 186 186 ALA . . . 0.809 0.008 . . . . . . . . . . 5746 1 173 . . . 187 187 GLU . . . . . . 187 187 GLU . . . 0.805 0.007 . . . . . . . . . . 5746 1 174 . . . 188 188 ALA . . . . . . 188 188 ALA . . . 0.786 0.007 . . . . . . . . . . 5746 1 175 . . . 189 189 GLY . . . . . . 189 189 GLY . . . 0.796 0.007 . . . . . . . . . . 5746 1 176 . . . 190 190 ASN . . . . . . 190 190 ASN . . . 0.813 0.009 . . . . . . . . . . 5746 1 177 . . . 191 191 THR . . . . . . 191 191 THR . . . 0.771 0.007 . . . . . . . . . . 5746 1 178 . . . 192 192 LYS . . . . . . 192 192 LYS . . . 0.773 0.007 . . . . . . . . . . 5746 1 179 . . . 193 193 TYR . . . . . . 193 193 TYR . . . 0.756 0.007 . . . . . . . . . . 5746 1 180 . . . 194 194 ALA . . . . . . 194 194 ALA . . . 0.823 0.008 . . . . . . . . . . 5746 1 181 . . . 195 195 LYS . . . . . . 195 195 LYS . . . 0.772 0.007 . . . . . . . . . . 5746 1 182 . . . 196 196 VAL . . . . . . 196 196 VAL . . . 0.759 0.007 . . . . . . . . . . 5746 1 183 . . . 197 197 ASP . . . . . . 197 197 ASP . . . 0.785 0.007 . . . . . . . . . . 5746 1 184 . . . 198 198 GLY . . . . . . 198 198 GLY . . . 0.804 0.007 . . . . . . . . . . 5746 1 185 . . . 199 199 THR . . . . . . 199 199 THR . . . 0.828 0.009 . . . . . . . . . . 5746 1 186 . . . 200 200 LYS . . . . . . 200 200 LYS . . . 0.801 0.008 . . . . . . . . . . 5746 1 187 . . . 202 202 VAL . . . . . . 202 202 VAL . . . 0.818 0.009 . . . . . . . . . . 5746 1 188 . . . 203 203 ALA . . . . . . 203 203 ALA . . . 0.822 0.008 . . . . . . . . . . 5746 1 189 . . . 204 204 GLU . . . . . . 204 204 GLU . . . 0.793 0.007 . . . . . . . . . . 5746 1 190 . . . 205 205 VAL . . . . . . 205 205 VAL . . . 0.818 0.008 . . . . . . . . . . 5746 1 191 . . . 206 206 ARG . . . . . . 206 206 ARG . . . 0.821 0.008 . . . . . . . . . . 5746 1 192 . . . 207 207 ALA . . . . . . 207 207 ALA . . . 0.818 0.008 . . . . . . . . . . 5746 1 193 . . . 208 208 ASP . . . . . . 208 208 ASP . . . 0.801 0.009 . . . . . . . . . . 5746 1 194 . . . 209 209 LEU . . . . . . 209 209 LEU . . . 0.796 0.007 . . . . . . . . . . 5746 1 195 . . . 210 210 GLU . . . . . . 210 210 GLU . . . 0.831 0.009 . . . . . . . . . . 5746 1 196 . . . 211 211 LYS . . . . . . 211 211 LYS . . . 0.789 0.007 . . . . . . . . . . 5746 1 197 . . . 212 212 ILE . . . . . . 212 212 ILE . . . 0.765 0.007 . . . . . . . . . . 5746 1 198 . . . 213 213 LEU . . . . . . 213 213 LEU . . . 0.783 0.008 . . . . . . . . . . 5746 1 199 . . . 214 214 GLY . . . . . . 214 214 GLY . . . 0.572 0.005 . . . . . . . . . . 5746 1 stop_ save_ save_heteronuclear_NOE_800 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_800 _Heteronucl_NOE_list.Entry_ID 5746 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _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 . . 1 $sample_1 . 5746 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . . . 2 2 ARG . . . . . . 2 2 ARG . . . 0.810 0.012 . . . . . . . . . . 5746 2 2 . . . 3 3 ILE . . . . . . 3 3 ILE . . . 0.812 0.012 . . . . . . . . . . 5746 2 3 . . . 4 4 ILE . . . . . . 4 4 ILE . . . 0.845 0.013 . . . . . . . . . . 5746 2 4 . . . 5 5 LEU . . . . . . 5 5 LEU . . . 0.801 0.012 . . . . . . . . . . 5746 2 5 . . . 6 6 LEU . . . . . . 6 6 LEU . . . 0.824 0.012 . . . . . . . . . . 5746 2 6 . . . 7 7 GLY . . . . . . 7 7 GLY . . . 0.773 0.012 . . . . . . . . . . 5746 2 7 . . . 8 8 ALA . . . . . . 8 8 ALA . . . 0.842 0.013 . . . . . . . . . . 5746 2 8 . . . 10 10 GLY . . . . . . 10 10 GLY . . . 0.807 0.012 . . . . . . . . . . 5746 2 9 . . . 11 11 ALA . . . . . . 11 11 ALA . . . 0.866 0.013 . . . . . . . . . . 5746 2 10 . . . 12 12 GLY . . . . . . 12 12 GLY . . . 0.682 0.010 . . . . . . . . . . 5746 2 11 . . . 13 13 LYS . . . . . . 13 13 LYS . . . 0.746 0.011 . . . . . . . . . . 5746 2 12 . . . 14 14 GLY . . . . . . 14 14 GLY . . . 0.784 0.012 . . . . . . . . . . 5746 2 13 . . . 15 15 THR . . . . . . 15 15 THR . . . 0.839 0.013 . . . . . . . . . . 5746 2 14 . . . 16 16 GLN . . . . . . 16 16 GLN . . . 0.822 0.012 . . . . . . . . . . 5746 2 15 . . . 17 17 ALA . . . . . . 17 17 ALA . . . 0.867 0.013 . . . . . . . . . . 5746 2 16 . . . 18 18 GLN . . . . . . 18 18 GLN . . . 0.837 0.013 . . . . . . . . . . 5746 2 17 . . . 19 19 PHE . . . . . . 19 19 PHE . . . 0.816 0.012 . . . . . . . . . . 5746 2 18 . . . 20 20 ILE . . . . . . 20 20 ILE . . . 0.735 0.011 . . . . . . . . . . 5746 2 19 . . . 21 21 MET . . . . . . 21 21 MET . . . 0.830 0.013 . . . . . . . . . . 5746 2 20 . . . 22 22 GLU . . . . . . 22 22 GLU . . . 0.820 0.012 . . . . . . . . . . 5746 2 21 . . . 23 23 LYS . . . . . . 23 23 LYS . . . 0.800 0.012 . . . . . . . . . . 5746 2 22 . . . 24 24 TYR . . . . . . 24 24 TYR . . . 0.831 0.013 . . . . . . . . . . 5746 2 23 . . . 25 25 GLY . . . . . . 25 25 GLY . . . 0.824 0.012 . . . . . . . . . . 5746 2 24 . . . 26 26 ILE . . . . . . 26 26 ILE . . . 0.819 0.012 . . . . . . . . . . 5746 2 25 . . . 28 28 GLN . . . . . . 28 28 GLN . . . 0.810 0.012 . . . . . . . . . . 5746 2 26 . . . 29 29 ILE . . . . . . 29 29 ILE . . . 0.884 0.013 . . . . . . . . . . 5746 2 27 . . . 30 30 SER . . . . . . 30 30 SER . . . 0.825 0.012 . . . . . . . . . . 5746 2 28 . . . 31 31 THR . . . . . . 31 31 THR . . . 0.854 0.013 . . . . . . . . . . 5746 2 29 . . . 33 33 ASP . . . . . . 33 33 ASP . . . 0.720 0.011 . . . . . . . . . . 5746 2 30 . . . 34 34 MET . . . . . . 34 34 MET . . . 0.859 0.013 . . . . . . . . . . 5746 2 31 . . . 35 35 LEU . . . . . . 35 35 LEU . . . 0.846 0.013 . . . . . . . . . . 5746 2 32 . . . 36 36 ARG . . . . . . 36 36 ARG . . . 0.835 0.013 . . . . . . . . . . 5746 2 33 . . . 37 37 ALA . . . . . . 37 37 ALA . . . 0.819 0.012 . . . . . . . . . . 5746 2 34 . . . 38 38 ALA . . . . . . 38 38 ALA . . . 0.772 0.012 . . . . . . . . . . 5746 2 35 . . . 39 39 VAL . . . . . . 39 39 VAL . . . 0.811 0.012 . . . . . . . . . . 5746 2 36 . . . 40 40 LYS . . . . . . 40 40 LYS . . . 0.795 0.012 . . . . . . . . . . 5746 2 37 . . . 41 41 SER . . . . . . 41 41 SER . . . 0.774 0.012 . . . . . . . . . . 5746 2 38 . . . 42 42 GLY . . . . . . 42 42 GLY . . . 0.775 0.012 . . . . . . . . . . 5746 2 39 . . . 43 43 SER . . . . . . 43 43 SER . . . 0.703 0.012 . . . . . . . . . . 5746 2 40 . . . 44 44 GLU . . . . . . 44 44 GLU . . . 0.762 0.012 . . . . . . . . . . 5746 2 41 . . . 45 45 LEU . . . . . . 45 45 LEU . . . 0.715 0.011 . . . . . . . . . . 5746 2 42 . . . 46 46 GLY . . . . . . 46 46 GLY . . . 0.770 0.012 . . . . . . . . . . 5746 2 43 . . . 48 48 GLN . . . . . . 48 48 GLN . . . 0.685 0.010 . . . . . . . . . . 5746 2 44 . . . 49 49 ALA . . . . . . 49 49 ALA . . . 0.707 0.011 . . . . . . . . . . 5746 2 45 . . . 50 50 LYS . . . . . . 50 50 LYS . . . 0.812 0.012 . . . . . . . . . . 5746 2 46 . . . 51 51 ASP . . . . . . 51 51 ASP . . . 0.746 0.011 . . . . . . . . . . 5746 2 47 . . . 52 52 ILE . . . . . . 52 52 ILE . . . 0.753 0.011 . . . . . . . . . . 5746 2 48 . . . 53 53 MET . . . . . . 53 53 MET . . . 0.832 0.013 . . . . . . . . . . 5746 2 49 . . . 54 54 ASP . . . . . . 54 54 ASP . . . 0.823 0.012 . . . . . . . . . . 5746 2 50 . . . 55 55 ALA . . . . . . 55 55 ALA . . . 0.791 0.012 . . . . . . . . . . 5746 2 51 . . . 56 56 GLY . . . . . . 56 56 GLY . . . 0.817 0.012 . . . . . . . . . . 5746 2 52 . . . 57 57 LYS . . . . . . 57 57 LYS . . . 0.803 0.019 . . . . . . . . . . 5746 2 53 . . . 58 58 LEU . . . . . . 58 58 LEU . . . 0.723 0.011 . . . . . . . . . . 5746 2 54 . . . 59 59 VAL . . . . . . 59 59 VAL . . . 0.815 0.012 . . . . . . . . . . 5746 2 55 . . . 60 60 THR . . . . . . 60 60 THR . . . 0.783 0.020 . . . . . . . . . . 5746 2 56 . . . 61 61 ASP . . . . . . 61 61 ASP . . . 0.813 0.012 . . . . . . . . . . 5746 2 57 . . . 62 62 GLU . . . . . . 62 62 GLU . . . 0.829 0.013 . . . . . . . . . . 5746 2 58 . . . 63 63 LEU . . . . . . 63 63 LEU . . . 0.835 0.016 . . . . . . . . . . 5746 2 59 . . . 64 64 VAL . . . . . . 64 64 VAL . . . 0.828 0.022 . . . . . . . . . . 5746 2 60 . . . 65 65 ILE . . . . . . 65 65 ILE . . . 0.837 0.015 . . . . . . . . . . 5746 2 61 . . . 66 66 ALA . . . . . . 66 66 ALA . . . 0.855 0.013 . . . . . . . . . . 5746 2 62 . . . 67 67 LEU . . . . . . 67 67 LEU . . . 0.816 0.012 . . . . . . . . . . 5746 2 63 . . . 68 68 VAL . . . . . . 68 68 VAL . . . 0.808 0.012 . . . . . . . . . . 5746 2 64 . . . 69 69 LYS . . . . . . 69 69 LYS . . . 0.856 0.013 . . . . . . . . . . 5746 2 65 . . . 70 70 GLU . . . . . . 70 70 GLU . . . 0.819 0.012 . . . . . . . . . . 5746 2 66 . . . 71 71 ARG . . . . . . 71 71 ARG . . . 0.825 0.012 . . . . . . . . . . 5746 2 67 . . . 72 72 ILE . . . . . . 72 72 ILE . . . 0.849 0.013 . . . . . . . . . . 5746 2 68 . . . 73 73 ALA . . . . . . 73 73 ALA . . . 0.839 0.013 . . . . . . . . . . 5746 2 69 . . . 74 74 GLN . . . . . . 74 74 GLN . . . 0.800 0.012 . . . . . . . . . . 5746 2 70 . . . 75 75 GLU . . . . . . 75 75 GLU . . . 0.762 0.012 . . . . . . . . . . 5746 2 71 . . . 76 76 ASP . . . . . . 76 76 ASP . . . 0.813 0.012 . . . . . . . . . . 5746 2 72 . . . 77 77 CYS . . . . . . 77 77 CYS . . . 0.823 0.012 . . . . . . . . . . 5746 2 73 . . . 78 78 ARG . . . . . . 78 78 ARG . . . 0.806 0.012 . . . . . . . . . . 5746 2 74 . . . 79 79 ASN . . . . . . 79 79 ASN . . . 0.751 0.011 . . . . . . . . . . 5746 2 75 . . . 80 80 GLY . . . . . . 80 80 GLY . . . 0.740 0.011 . . . . . . . . . . 5746 2 76 . . . 81 81 PHE . . . . . . 81 81 PHE . . . 0.826 0.012 . . . . . . . . . . 5746 2 77 . . . 82 82 LEU . . . . . . 82 82 LEU . . . 0.843 0.013 . . . . . . . . . . 5746 2 78 . . . 83 83 LEU . . . . . . 83 83 LEU . . . 0.847 0.013 . . . . . . . . . . 5746 2 79 . . . 84 84 ASP . . . . . . 84 84 ASP . . . 0.820 0.022 . . . . . . . . . . 5746 2 80 . . . 86 86 PHE . . . . . . 86 86 PHE . . . 0.851 0.013 . . . . . . . . . . 5746 2 81 . . . 88 88 ARG . . . . . . 88 88 ARG . . . 0.812 0.012 . . . . . . . . . . 5746 2 82 . . . 89 89 THR . . . . . . 89 89 THR . . . 0.839 0.013 . . . . . . . . . . 5746 2 83 . . . 90 90 ILE . . . . . . 90 90 ILE . . . 0.854 0.013 . . . . . . . . . . 5746 2 84 . . . 92 92 GLN . . . . . . 92 92 GLN . . . 0.848 0.013 . . . . . . . . . . 5746 2 85 . . . 93 93 ALA . . . . . . 93 93 ALA . . . 0.853 0.013 . . . . . . . . . . 5746 2 86 . . . 94 94 ASP . . . . . . 94 94 ASP . . . 0.859 0.013 . . . . . . . . . . 5746 2 87 . . . 95 95 ALA . . . . . . 95 95 ALA . . . 0.853 0.013 . . . . . . . . . . 5746 2 88 . . . 96 96 MET . . . . . . 96 96 MET . . . 0.813 0.012 . . . . . . . . . . 5746 2 89 . . . 97 97 LYS . . . . . . 97 97 LYS . . . 0.815 0.012 . . . . . . . . . . 5746 2 90 . . . 98 98 GLU . . . . . . 98 98 GLU . . . 0.843 0.013 . . . . . . . . . . 5746 2 91 . . . 99 99 ALA . . . . . . 99 99 ALA . . . 0.787 0.012 . . . . . . . . . . 5746 2 92 . . . 100 100 GLY . . . . . . 100 100 GLY . . . 0.810 0.012 . . . . . . . . . . 5746 2 93 . . . 101 101 ILE . . . . . . 101 101 ILE . . . 0.810 0.012 . . . . . . . . . . 5746 2 94 . . . 102 102 ASN . . . . . . 102 102 ASN . . . 0.681 0.010 . . . . . . . . . . 5746 2 95 . . . 103 103 VAL . . . . . . 103 103 VAL . . . 0.640 0.010 . . . . . . . . . . 5746 2 96 . . . 104 104 ASP . . . . . . 104 104 ASP . . . 0.804 0.013 . . . . . . . . . . 5746 2 97 . . . 105 105 TYR . . . . . . 105 105 TYR . . . 0.830 0.013 . . . . . . . . . . 5746 2 98 . . . 106 106 VAL . . . . . . 106 106 VAL . . . 0.822 0.012 . . . . . . . . . . 5746 2 99 . . . 107 107 LEU . . . . . . 107 107 LEU . . . 0.836 0.013 . . . . . . . . . . 5746 2 100 . . . 108 108 GLU . . . . . . 108 108 GLU . . . 0.840 0.013 . . . . . . . . . . 5746 2 101 . . . 109 109 PHE . . . . . . 109 109 PHE . . . 0.829 0.013 . . . . . . . . . . 5746 2 102 . . . 110 110 ASP . . . . . . 110 110 ASP . . . 0.813 0.012 . . . . . . . . . . 5746 2 103 . . . 111 111 VAL . . . . . . 111 111 VAL . . . 0.791 0.012 . . . . . . . . . . 5746 2 104 . . . 113 113 ASP . . . . . . 113 113 ASP . . . 0.843 0.013 . . . . . . . . . . 5746 2 105 . . . 114 114 GLU . . . . . . 114 114 GLU . . . 0.817 0.012 . . . . . . . . . . 5746 2 106 . . . 115 115 LEU . . . . . . 115 115 LEU . . . 0.785 0.016 . . . . . . . . . . 5746 2 107 . . . 116 116 ILE . . . . . . 116 116 ILE . . . 0.810 0.012 . . . . . . . . . . 5746 2 108 . . . 117 117 VAL . . . . . . 117 117 VAL . . . 0.835 0.013 . . . . . . . . . . 5746 2 109 . . . 118 118 ASP . . . . . . 118 118 ASP . . . 0.796 0.014 . . . . . . . . . . 5746 2 110 . . . 119 119 ARG . . . . . . 119 119 ARG . . . 0.810 0.021 . . . . . . . . . . 5746 2 111 . . . 120 120 ILE . . . . . . 120 120 ILE . . . 0.830 0.013 . . . . . . . . . . 5746 2 112 . . . 121 121 VAL . . . . . . 121 121 VAL . . . 0.772 0.012 . . . . . . . . . . 5746 2 113 . . . 122 122 GLY . . . . . . 122 122 GLY . . . 0.827 0.012 . . . . . . . . . . 5746 2 114 . . . 123 123 ARG . . . . . . 123 123 ARG . . . 0.866 0.014 . . . . . . . . . . 5746 2 115 . . . 124 124 ARG . . . . . . 124 124 ARG . . . 0.774 0.012 . . . . . . . . . . 5746 2 116 . . . 125 125 VAL . . . . . . 125 125 VAL . . . 0.811 0.012 . . . . . . . . . . 5746 2 117 . . . 126 126 HIS . . . . . . 126 126 HIS . . . 0.792 0.012 . . . . . . . . . . 5746 2 118 . . . 127 127 ALA . . . . . . 127 127 ALA . . . 0.773 0.012 . . . . . . . . . . 5746 2 119 . . . 129 129 SER . . . . . . 129 129 SER . . . 0.802 0.012 . . . . . . . . . . 5746 2 120 . . . 130 130 GLY . . . . . . 130 130 GLY . . . 0.800 0.012 . . . . . . . . . . 5746 2 121 . . . 131 131 ARG . . . . . . 131 131 ARG . . . 0.826 0.012 . . . . . . . . . . 5746 2 122 . . . 132 132 VAL . . . . . . 132 132 VAL . . . 0.755 0.011 . . . . . . . . . . 5746 2 123 . . . 133 133 TYR . . . . . . 133 133 TYR . . . 0.789 0.012 . . . . . . . . . . 5746 2 124 . . . 134 134 HIS . . . . . . 134 134 HIS . . . 0.838 0.013 . . . . . . . . . . 5746 2 125 . . . 135 135 VAL . . . . . . 135 135 VAL . . . 0.829 0.013 . . . . . . . . . . 5746 2 126 . . . 136 136 LYS . . . . . . 136 136 LYS . . . 0.812 0.012 . . . . . . . . . . 5746 2 127 . . . 137 137 PHE . . . . . . 137 137 PHE . . . 0.791 0.013 . . . . . . . . . . 5746 2 128 . . . 138 138 ASN . . . . . . 138 138 ASN . . . 0.701 0.028 . . . . . . . . . . 5746 2 129 . . . 141 141 LYS . . . . . . 141 141 LYS . . . 0.799 0.012 . . . . . . . . . . 5746 2 130 . . . 142 142 VAL . . . . . . 142 142 VAL . . . 0.786 0.012 . . . . . . . . . . 5746 2 131 . . . 143 143 GLU . . . . . . 143 143 GLU . . . 0.776 0.012 . . . . . . . . . . 5746 2 132 . . . 144 144 GLY . . . . . . 144 144 GLY . . . 0.789 0.012 . . . . . . . . . . 5746 2 133 . . . 145 145 LYS . . . . . . 145 145 LYS . . . 0.812 0.012 . . . . . . . . . . 5746 2 134 . . . 146 146 ASP . . . . . . 146 146 ASP . . . 0.815 0.012 . . . . . . . . . . 5746 2 135 . . . 147 147 ASP . . . . . . 147 147 ASP . . . 0.827 0.012 . . . . . . . . . . 5746 2 136 . . . 148 148 VAL . . . . . . 148 148 VAL . . . 0.798 0.012 . . . . . . . . . . 5746 2 137 . . . 149 149 THR . . . . . . 149 149 THR . . . 0.813 0.012 . . . . . . . . . . 5746 2 138 . . . 150 150 GLY . . . . . . 150 150 GLY . . . 0.823 0.012 . . . . . . . . . . 5746 2 139 . . . 151 151 GLU . . . . . . 151 151 GLU . . . 0.816 0.012 . . . . . . . . . . 5746 2 140 . . . 152 152 GLU . . . . . . 152 152 GLU . . . 0.751 0.011 . . . . . . . . . . 5746 2 141 . . . 153 153 LEU . . . . . . 153 153 LEU . . . 0.735 0.011 . . . . . . . . . . 5746 2 142 . . . 154 154 THR . . . . . . 154 154 THR . . . 0.795 0.012 . . . . . . . . . . 5746 2 143 . . . 155 155 THR . . . . . . 155 155 THR . . . 0.783 0.012 . . . . . . . . . . 5746 2 144 . . . 156 156 ARG . . . . . . 156 156 ARG . . . 0.769 0.013 . . . . . . . . . . 5746 2 145 . . . 157 157 LYS . . . . . . 157 157 LYS . . . 0.804 0.012 . . . . . . . . . . 5746 2 146 . . . 158 158 ASP . . . . . . 158 158 ASP . . . 0.804 0.012 . . . . . . . . . . 5746 2 147 . . . 159 159 ASP . . . . . . 159 159 ASP . . . 0.839 0.013 . . . . . . . . . . 5746 2 148 . . . 160 160 GLN . . . . . . 160 160 GLN . . . 0.603 0.009 . . . . . . . . . . 5746 2 149 . . . 161 161 GLU . . . . . . 161 161 GLU . . . 0.799 0.012 . . . . . . . . . . 5746 2 150 . . . 162 162 GLU . . . . . . 162 162 GLU . . . 0.774 0.012 . . . . . . . . . . 5746 2 151 . . . 163 163 THR . . . . . . 163 163 THR . . . 0.798 0.012 . . . . . . . . . . 5746 2 152 . . . 164 164 VAL . . . . . . 164 164 VAL . . . 0.839 0.013 . . . . . . . . . . 5746 2 153 . . . 165 165 ARG . . . . . . 165 165 ARG . . . 0.845 0.018 . . . . . . . . . . 5746 2 154 . . . 166 166 LYS . . . . . . 166 166 LYS . . . 0.843 0.013 . . . . . . . . . . 5746 2 155 . . . 167 167 ARG . . . . . . 167 167 ARG . . . 0.830 0.013 . . . . . . . . . . 5746 2 156 . . . 168 168 LEU . . . . . . 168 168 LEU . . . 0.799 0.012 . . . . . . . . . . 5746 2 157 . . . 169 169 VAL . . . . . . 169 169 VAL . . . 0.839 0.013 . . . . . . . . . . 5746 2 158 . . . 170 170 GLU . . . . . . 170 170 GLU . . . 0.829 0.013 . . . . . . . . . . 5746 2 159 . . . 171 171 TYR . . . . . . 171 171 TYR . . . 0.859 0.013 . . . . . . . . . . 5746 2 160 . . . 172 172 HIS . . . . . . 172 172 HIS . . . 0.866 0.013 . . . . . . . . . . 5746 2 161 . . . 173 173 GLN . . . . . . 173 173 GLN . . . 0.840 0.013 . . . . . . . . . . 5746 2 162 . . . 174 174 MET . . . . . . 174 174 MET . . . 0.832 0.013 . . . . . . . . . . 5746 2 163 . . . 175 175 THR . . . . . . 175 175 THR . . . 0.848 0.013 . . . . . . . . . . 5746 2 164 . . . 176 176 ALA . . . . . . 176 176 ALA . . . 0.861 0.020 . . . . . . . . . . 5746 2 165 . . . 178 178 LEU . . . . . . 178 178 LEU . . . 0.851 0.013 . . . . . . . . . . 5746 2 166 . . . 179 179 ILE . . . . . . 179 179 ILE . . . 0.853 0.013 . . . . . . . . . . 5746 2 167 . . . 180 180 GLY . . . . . . 180 180 GLY . . . 0.849 0.013 . . . . . . . . . . 5746 2 168 . . . 181 181 TYR . . . . . . 181 181 TYR . . . 0.830 0.013 . . . . . . . . . . 5746 2 169 . . . 182 182 TYR . . . . . . 182 182 TYR . . . 0.862 0.013 . . . . . . . . . . 5746 2 170 . . . 183 183 SER . . . . . . 183 183 SER . . . 0.859 0.013 . . . . . . . . . . 5746 2 171 . . . 184 184 LYS . . . . . . 184 184 LYS . . . 0.865 0.013 . . . . . . . . . . 5746 2 172 . . . 185 185 GLU . . . . . . 185 185 GLU . . . 0.805 0.012 . . . . . . . . . . 5746 2 173 . . . 186 186 ALA . . . . . . 186 186 ALA . . . 0.840 0.013 . . . . . . . . . . 5746 2 174 . . . 187 187 GLU . . . . . . 187 187 GLU . . . 0.819 0.012 . . . . . . . . . . 5746 2 175 . . . 188 188 ALA . . . . . . 188 188 ALA . . . 0.817 0.012 . . . . . . . . . . 5746 2 176 . . . 189 189 GLY . . . . . . 189 189 GLY . . . 0.816 0.012 . . . . . . . . . . 5746 2 177 . . . 190 190 ASN . . . . . . 190 190 ASN . . . 0.830 0.013 . . . . . . . . . . 5746 2 178 . . . 191 191 THR . . . . . . 191 191 THR . . . 0.780 0.012 . . . . . . . . . . 5746 2 179 . . . 192 192 LYS . . . . . . 192 192 LYS . . . 0.772 0.012 . . . . . . . . . . 5746 2 180 . . . 193 193 TYR . . . . . . 193 193 TYR . . . 0.765 0.012 . . . . . . . . . . 5746 2 181 . . . 194 194 ALA . . . . . . 194 194 ALA . . . 0.842 0.013 . . . . . . . . . . 5746 2 182 . . . 195 195 LYS . . . . . . 195 195 LYS . . . 0.797 0.012 . . . . . . . . . . 5746 2 183 . . . 196 196 VAL . . . . . . 196 196 VAL . . . 0.789 0.012 . . . . . . . . . . 5746 2 184 . . . 197 197 ASP . . . . . . 197 197 ASP . . . 0.821 0.012 . . . . . . . . . . 5746 2 185 . . . 198 198 GLY . . . . . . 198 198 GLY . . . 0.824 0.012 . . . . . . . . . . 5746 2 186 . . . 199 199 THR . . . . . . 199 199 THR . . . 0.843 0.013 . . . . . . . . . . 5746 2 187 . . . 200 200 LYS . . . . . . 200 200 LYS . . . 0.830 0.013 . . . . . . . . . . 5746 2 188 . . . 202 202 VAL . . . . . . 202 202 VAL . . . 0.810 0.012 . . . . . . . . . . 5746 2 189 . . . 203 203 ALA . . . . . . 203 203 ALA . . . 0.849 0.013 . . . . . . . . . . 5746 2 190 . . . 204 204 GLU . . . . . . 204 204 GLU . . . 0.807 0.012 . . . . . . . . . . 5746 2 191 . . . 205 205 VAL . . . . . . 205 205 VAL . . . 0.837 0.013 . . . . . . . . . . 5746 2 192 . . . 206 206 ARG . . . . . . 206 206 ARG . . . 0.855 0.013 . . . . . . . . . . 5746 2 193 . . . 207 207 ALA . . . . . . 207 207 ALA . . . 0.842 0.013 . . . . . . . . . . 5746 2 194 . . . 208 208 ASP . . . . . . 208 208 ASP . . . 0.831 0.013 . . . . . . . . . . 5746 2 195 . . . 209 209 LEU . . . . . . 209 209 LEU . . . 0.843 0.013 . . . . . . . . . . 5746 2 196 . . . 210 210 GLU . . . . . . 210 210 GLU . . . 0.835 0.030 . . . . . . . . . . 5746 2 197 . . . 211 211 LYS . . . . . . 211 211 LYS . . . 0.817 0.012 . . . . . . . . . . 5746 2 198 . . . 212 212 ILE . . . . . . 212 212 ILE . . . 0.787 0.012 . . . . . . . . . . 5746 2 199 . . . 213 213 LEU . . . . . . 213 213 LEU . . . 0.808 0.012 . . . . . . . . . . 5746 2 200 . . . 214 214 GLY . . . . . . 214 214 GLY . . . 0.627 0.010 . . . . . . . . . . 5746 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_15N_T1_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_600 _Heteronucl_T1_list.Entry_ID 5746 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _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 $sample_1 . 5746 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ARG N . . 966.2 19.9 . . . . . 5746 1 2 . 1 1 3 3 ILE N . . 910.3 19.1 . . . . . 5746 1 3 . 1 1 4 4 ILE N . . 920.8 18.4 . . . . . 5746 1 4 . 1 1 5 5 LEU N . . 871.7 18.3 . . . . . 5746 1 5 . 1 1 6 6 LEU N . . 890.4 18.0 . . . . . 5746 1 6 . 1 1 7 7 GLY N . . 873.6 18.4 . . . . . 5746 1 7 . 1 1 8 8 ALA N . . 873.9 18.1 . . . . . 5746 1 8 . 1 1 10 10 GLY N . . 884.6 18.4 . . . . . 5746 1 9 . 1 1 11 11 ALA N . . 857.0 18.0 . . . . . 5746 1 10 . 1 1 12 12 GLY N . . 844.0 17.3 . . . . . 5746 1 11 . 1 1 13 13 LYS N . . 838.5 18.1 . . . . . 5746 1 12 . 1 1 14 14 GLY N . . 800.0 24.8 . . . . . 5746 1 13 . 1 1 15 15 THR N . . 900.2 19.2 . . . . . 5746 1 14 . 1 1 16 16 GLN N . . 852.2 18.2 . . . . . 5746 1 15 . 1 1 17 17 ALA N . . 843.3 18.0 . . . . . 5746 1 16 . 1 1 18 18 GLN N . . 870.7 17.7 . . . . . 5746 1 17 . 1 1 19 19 PHE N . . 863.9 18.2 . . . . . 5746 1 18 . 1 1 20 20 ILE N . . 896.3 26.8 . . . . . 5746 1 19 . 1 1 21 21 MET N . . 858.5 18.3 . . . . . 5746 1 20 . 1 1 22 22 GLU N . . 870.9 18.2 . . . . . 5746 1 21 . 1 1 23 23 LYS N . . 892.1 19.2 . . . . . 5746 1 22 . 1 1 24 24 TYR N . . 894.1 18.8 . . . . . 5746 1 23 . 1 1 25 25 GLY N . . 912.1 19.4 . . . . . 5746 1 24 . 1 1 26 26 ILE N . . 883.6 18.7 . . . . . 5746 1 25 . 1 1 28 28 GLN N . . 903.0 18.7 . . . . . 5746 1 26 . 1 1 29 29 ILE N . . 892.7 18.6 . . . . . 5746 1 27 . 1 1 30 30 SER N . . 914.6 18.3 . . . . . 5746 1 28 . 1 1 31 31 THR N . . 850.5 17.7 . . . . . 5746 1 29 . 1 1 32 32 GLY N . . 874.9 24.8 . . . . . 5746 1 30 . 1 1 33 33 ASP N . . 977.3 19.9 . . . . . 5746 1 31 . 1 1 34 34 MET N . . 867.0 18.5 . . . . . 5746 1 32 . 1 1 35 35 LEU N . . 877.4 18.0 . . . . . 5746 1 33 . 1 1 36 36 ARG N . . 878.9 17.7 . . . . . 5746 1 34 . 1 1 37 37 ALA N . . 883.6 18.7 . . . . . 5746 1 35 . 1 1 38 38 ALA N . . 914.2 19.2 . . . . . 5746 1 36 . 1 1 39 39 VAL N . . 882.7 18.8 . . . . . 5746 1 37 . 1 1 40 40 LYS N . . 904.8 19.0 . . . . . 5746 1 38 . 1 1 41 41 SER N . . 905.8 18.9 . . . . . 5746 1 39 . 1 1 42 42 GLY N . . 835.8 18.1 . . . . . 5746 1 40 . 1 1 43 43 SER N . . 873.4 18.9 . . . . . 5746 1 41 . 1 1 44 44 GLU N . . 896.4 18.9 . . . . . 5746 1 42 . 1 1 45 45 LEU N . . 863.9 18.9 . . . . . 5746 1 43 . 1 1 46 46 GLY N . . 845.5 17.8 . . . . . 5746 1 44 . 1 1 48 48 GLN N . . 866.2 18.9 . . . . . 5746 1 45 . 1 1 49 49 ALA N . . 882.7 18.8 . . . . . 5746 1 46 . 1 1 50 50 LYS N . . 884.9 18.3 . . . . . 5746 1 47 . 1 1 51 51 ASP N . . 881.4 18.9 . . . . . 5746 1 48 . 1 1 52 52 ILE N . . 895.4 18.2 . . . . . 5746 1 49 . 1 1 53 53 MET N . . 852.9 18.5 . . . . . 5746 1 50 . 1 1 54 54 ASP N . . 864.0 18.0 . . . . . 5746 1 51 . 1 1 55 55 ALA N . . 901.3 18.3 . . . . . 5746 1 52 . 1 1 56 56 GLY N . . 852.8 17.8 . . . . . 5746 1 53 . 1 1 57 57 LYS N . . 886.0 18.0 . . . . . 5746 1 54 . 1 1 58 58 LEU N . . 890.4 18.3 . . . . . 5746 1 55 . 1 1 59 59 VAL N . . 882.4 18.0 . . . . . 5746 1 56 . 1 1 60 60 THR N . . 902.1 18.0 . . . . . 5746 1 57 . 1 1 61 61 ASP N . . 860.4 17.7 . . . . . 5746 1 58 . 1 1 62 62 GLU N . . 866.0 18.0 . . . . . 5746 1 59 . 1 1 63 63 LEU N . . 860.3 17.8 . . . . . 5746 1 60 . 1 1 64 64 VAL N . . 877.1 17.8 . . . . . 5746 1 61 . 1 1 65 65 ILE N . . 847.3 17.3 . . . . . 5746 1 62 . 1 1 66 66 ALA N . . 856.7 17.5 . . . . . 5746 1 63 . 1 1 67 67 LEU N . . 877.4 17.7 . . . . . 5746 1 64 . 1 1 68 68 VAL N . . 856.1 17.8 . . . . . 5746 1 65 . 1 1 69 69 LYS N . . 851.5 18.4 . . . . . 5746 1 66 . 1 1 70 70 GLU N . . 880.9 18.3 . . . . . 5746 1 67 . 1 1 71 71 ARG N . . 869.5 18.2 . . . . . 5746 1 68 . 1 1 72 72 ILE N . . 849.5 18.1 . . . . . 5746 1 69 . 1 1 73 73 ALA N . . 863.9 18.3 . . . . . 5746 1 70 . 1 1 74 74 GLN N . . 927.1 18.7 . . . . . 5746 1 71 . 1 1 75 75 GLU N . . 896.4 18.9 . . . . . 5746 1 72 . 1 1 76 76 ASP N . . 879.1 18.4 . . . . . 5746 1 73 . 1 1 77 77 CYS N . . 902.1 19.4 . . . . . 5746 1 74 . 1 1 78 78 ARG N . . 886.9 19.1 . . . . . 5746 1 75 . 1 1 79 79 ASN N . . 948.5 19.8 . . . . . 5746 1 76 . 1 1 80 80 GLY N . . 940.4 19.3 . . . . . 5746 1 77 . 1 1 81 81 PHE N . . 910.4 19.3 . . . . . 5746 1 78 . 1 1 82 82 LEU N . . 919.8 27.4 . . . . . 5746 1 79 . 1 1 83 83 LEU N . . 911.2 19.1 . . . . . 5746 1 80 . 1 1 84 84 ASP N . . 913.3 18.4 . . . . . 5746 1 81 . 1 1 85 85 GLY N . . 887.4 17.8 . . . . . 5746 1 82 . 1 1 86 86 PHE N . . 846.1 17.5 . . . . . 5746 1 83 . 1 1 88 88 ARG N . . 925.8 19.4 . . . . . 5746 1 84 . 1 1 89 89 THR N . . 865.1 17.7 . . . . . 5746 1 85 . 1 1 90 90 ILE N . . 880.6 18.9 . . . . . 5746 1 86 . 1 1 92 92 GLN N . . 888.7 17.9 . . . . . 5746 1 87 . 1 1 93 93 ALA N . . 856.7 18.6 . . . . . 5746 1 88 . 1 1 94 94 ASP N . . 870.0 18.1 . . . . . 5746 1 89 . 1 1 95 95 ALA N . . 885.6 18.4 . . . . . 5746 1 90 . 1 1 96 96 MET N . . 872.6 18.6 . . . . . 5746 1 91 . 1 1 97 97 LYS N . . 885.1 19.0 . . . . . 5746 1 92 . 1 1 98 98 GLU N . . 918.6 19.3 . . . . . 5746 1 93 . 1 1 99 99 ALA N . . 925.6 18.8 . . . . . 5746 1 94 . 1 1 100 100 GLY N . . 876.5 18.3 . . . . . 5746 1 95 . 1 1 101 101 ILE N . . 903.0 18.7 . . . . . 5746 1 96 . 1 1 102 102 ASN N . . 926.7 19.1 . . . . . 5746 1 97 . 1 1 103 103 VAL N . . 948.7 18.9 . . . . . 5746 1 98 . 1 1 104 104 ASP N . . 905.1 18.5 . . . . . 5746 1 99 . 1 1 105 105 TYR N . . 905.6 19.3 . . . . . 5746 1 100 . 1 1 106 106 VAL N . . 952.1 19.1 . . . . . 5746 1 101 . 1 1 107 107 LEU N . . 900.4 18.4 . . . . . 5746 1 102 . 1 1 108 108 GLU N . . 920.0 18.4 . . . . . 5746 1 103 . 1 1 109 109 PHE N . . 906.4 18.5 . . . . . 5746 1 104 . 1 1 110 110 ASP N . . 940.3 19.4 . . . . . 5746 1 105 . 1 1 111 111 VAL N . . 947.4 20.1 . . . . . 5746 1 106 . 1 1 113 113 ASP N . . 919.3 18.4 . . . . . 5746 1 107 . 1 1 114 114 GLU N . . 883.8 18.9 . . . . . 5746 1 108 . 1 1 115 115 LEU N . . 904.1 18.3 . . . . . 5746 1 109 . 1 1 116 116 ILE N . . 880.8 18.2 . . . . . 5746 1 110 . 1 1 117 117 VAL N . . 864.4 18.0 . . . . . 5746 1 111 . 1 1 118 118 ASP N . . 873.6 18.5 . . . . . 5746 1 112 . 1 1 119 119 ARG N . . 884.7 18.3 . . . . . 5746 1 113 . 1 1 120 120 ILE N . . 889.5 19.2 . . . . . 5746 1 114 . 1 1 121 121 VAL N . . 839.4 17.9 . . . . . 5746 1 115 . 1 1 122 122 GLY N . . 882.5 17.8 . . . . . 5746 1 116 . 1 1 123 123 ARG N . . 838.2 18.6 . . . . . 5746 1 117 . 1 1 124 124 ARG N . . 872.7 18.6 . . . . . 5746 1 118 . 1 1 125 125 VAL N . . 866.0 18.0 . . . . . 5746 1 119 . 1 1 126 126 HIS N . . 903.8 18.9 . . . . . 5746 1 120 . 1 1 127 127 ALA N . . 931.4 19.7 . . . . . 5746 1 121 . 1 1 129 129 SER N . . 922.1 19.3 . . . . . 5746 1 122 . 1 1 130 130 GLY N . . 890.4 18.4 . . . . . 5746 1 123 . 1 1 131 131 ARG N . . 862.1 18.2 . . . . . 5746 1 124 . 1 1 132 132 VAL N . . 914.8 18.7 . . . . . 5746 1 125 . 1 1 133 133 TYR N . . 899.7 18.5 . . . . . 5746 1 126 . 1 1 134 134 HIS N . . 871.5 18.2 . . . . . 5746 1 127 . 1 1 135 135 VAL N . . 879.5 18.4 . . . . . 5746 1 128 . 1 1 136 136 LYS N . . 892.6 18.4 . . . . . 5746 1 129 . 1 1 137 137 PHE N . . 943.9 19.7 . . . . . 5746 1 130 . 1 1 138 138 ASN N . . 919.4 18.8 . . . . . 5746 1 131 . 1 1 141 141 LYS N . . 908.2 18.6 . . . . . 5746 1 132 . 1 1 142 142 VAL N . . 927.3 18.6 . . . . . 5746 1 133 . 1 1 143 143 GLU N . . 952.1 19.8 . . . . . 5746 1 134 . 1 1 144 144 GLY N . . 925.4 18.6 . . . . . 5746 1 135 . 1 1 145 145 LYS N . . 856.2 18.0 . . . . . 5746 1 136 . 1 1 146 146 ASP N . . 890.9 18.9 . . . . . 5746 1 137 . 1 1 147 147 ASP N . . 893.3 18.5 . . . . . 5746 1 138 . 1 1 148 148 VAL N . . 916.8 19.2 . . . . . 5746 1 139 . 1 1 149 149 THR N . . 908.6 19.3 . . . . . 5746 1 140 . 1 1 150 150 GLY N . . 867.8 18.4 . . . . . 5746 1 141 . 1 1 151 151 GLU N . . 884.0 19.1 . . . . . 5746 1 142 . 1 1 152 152 GLU N . . 924.8 18.5 . . . . . 5746 1 143 . 1 1 153 153 LEU N . . 883.9 18.2 . . . . . 5746 1 144 . 1 1 154 154 THR N . . 911.8 18.6 . . . . . 5746 1 145 . 1 1 155 155 THR N . . 907.6 19.2 . . . . . 5746 1 146 . 1 1 156 156 ARG N . . 841.8 18.1 . . . . . 5746 1 147 . 1 1 157 157 LYS N . . 934.9 28.1 . . . . . 5746 1 148 . 1 1 158 158 ASP N . . 818.4 16.9 . . . . . 5746 1 149 . 1 1 159 159 ASP N . . 884.2 18.2 . . . . . 5746 1 150 . 1 1 160 160 GLN N . . 947.0 19.1 . . . . . 5746 1 151 . 1 1 161 161 GLU N . . 939.4 19.7 . . . . . 5746 1 152 . 1 1 162 162 GLU N . . 889.6 18.8 . . . . . 5746 1 153 . 1 1 163 163 THR N . . 941.3 19.3 . . . . . 5746 1 154 . 1 1 164 164 VAL N . . 903.6 18.6 . . . . . 5746 1 155 . 1 1 165 165 ARG N . . 904.1 19.0 . . . . . 5746 1 156 . 1 1 166 166 LYS N . . 924.6 19.4 . . . . . 5746 1 157 . 1 1 167 167 ARG N . . 911.9 18.7 . . . . . 5746 1 158 . 1 1 168 168 LEU N . . 914.6 18.5 . . . . . 5746 1 159 . 1 1 169 169 VAL N . . 900.2 19.2 . . . . . 5746 1 160 . 1 1 170 170 GLU N . . 914.8 18.7 . . . . . 5746 1 161 . 1 1 171 171 TYR N . . 905.4 19.0 . . . . . 5746 1 162 . 1 1 172 172 HIS N . . 903.1 18.6 . . . . . 5746 1 163 . 1 1 173 173 GLN N . . 941.3 19.4 . . . . . 5746 1 164 . 1 1 174 174 MET N . . 957.9 19.1 . . . . . 5746 1 165 . 1 1 175 175 THR N . . 931.1 19.2 . . . . . 5746 1 166 . 1 1 176 176 ALA N . . 873.4 18.3 . . . . . 5746 1 167 . 1 1 178 178 LEU N . . 903.1 18.0 . . . . . 5746 1 168 . 1 1 179 179 ILE N . . 891.3 19.3 . . . . . 5746 1 169 . 1 1 180 180 GLY N . . 921.5 19.6 . . . . . 5746 1 170 . 1 1 181 181 TYR N . . 902.6 19.5 . . . . . 5746 1 171 . 1 1 182 182 TYR N . . 900.2 19.1 . . . . . 5746 1 172 . 1 1 183 183 SER N . . 867.0 18.5 . . . . . 5746 1 173 . 1 1 184 184 LYS N . . 876.1 18.7 . . . . . 5746 1 174 . 1 1 185 185 GLU N . . 898.9 18.3 . . . . . 5746 1 175 . 1 1 186 186 ALA N . . 879.6 19.0 . . . . . 5746 1 176 . 1 1 187 187 GLU N . . 883.6 18.7 . . . . . 5746 1 177 . 1 1 188 188 ALA N . . 930.0 19.6 . . . . . 5746 1 178 . 1 1 189 189 GLY N . . 914.5 18.9 . . . . . 5746 1 179 . 1 1 190 190 ASN N . . 816.5 17.8 . . . . . 5746 1 180 . 1 1 191 191 THR N . . 874.2 18.7 . . . . . 5746 1 181 . 1 1 192 192 LYS N . . 914.2 19.2 . . . . . 5746 1 182 . 1 1 193 193 TYR N . . 946.0 18.8 . . . . . 5746 1 183 . 1 1 194 194 ALA N . . 902.2 18.4 . . . . . 5746 1 184 . 1 1 195 195 LYS N . . 990.1 20.6 . . . . . 5746 1 185 . 1 1 196 196 VAL N . . 900.0 18.5 . . . . . 5746 1 186 . 1 1 197 197 ASP N . . 922.3 18.6 . . . . . 5746 1 187 . 1 1 198 198 GLY N . . 938.4 19.6 . . . . . 5746 1 188 . 1 1 199 199 THR N . . 870.2 17.6 . . . . . 5746 1 189 . 1 1 200 200 LYS N . . 916.3 18.9 . . . . . 5746 1 190 . 1 1 202 202 VAL N . . 921.2 19.4 . . . . . 5746 1 191 . 1 1 203 203 ALA N . . 895.0 18.5 . . . . . 5746 1 192 . 1 1 204 204 GLU N . . 898.8 18.7 . . . . . 5746 1 193 . 1 1 205 205 VAL N . . 915.6 18.6 . . . . . 5746 1 194 . 1 1 206 206 ARG N . . 923.2 19.4 . . . . . 5746 1 195 . 1 1 207 207 ALA N . . 912.2 18.6 . . . . . 5746 1 196 . 1 1 208 208 ASP N . . 925.2 19.3 . . . . . 5746 1 197 . 1 1 209 209 LEU N . . 925.6 19.8 . . . . . 5746 1 198 . 1 1 210 210 GLU N . . 946.7 19.8 . . . . . 5746 1 199 . 1 1 211 211 LYS N . . 911.3 19.2 . . . . . 5746 1 200 . 1 1 212 212 ILE N . . 994.1 20.3 . . . . . 5746 1 201 . 1 1 213 213 LEU N . . 911.6 18.5 . . . . . 5746 1 202 . 1 1 214 214 GLY N . . 833.6 18.1 . . . . . 5746 1 stop_ save_ save_15N_T1_800 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode 15N_T1_800 _Heteronucl_T1_list.Entry_ID 5746 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _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 $sample_1 . 5746 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 2 2 ARG N . . 1510.5 33.7 . . . . . 5746 2 2 . 1 1 3 3 ILE N . . 1409.5 31.0 . . . . . 5746 2 3 . 1 1 4 4 ILE N . . 1406.3 30.5 . . . . . 5746 2 4 . 1 1 5 5 LEU N . . 1412.8 31.1 . . . . . 5746 2 5 . 1 1 6 6 LEU N . . 1374.6 29.5 . . . . . 5746 2 6 . 1 1 7 7 GLY N . . 1330.8 28.2 . . . . . 5746 2 7 . 1 1 8 8 ALA N . . 1305.7 27.5 . . . . . 5746 2 8 . 1 1 10 10 GLY N . . 1352.7 29.6 . . . . . 5746 2 9 . 1 1 11 11 ALA N . . 1265.2 26.7 . . . . . 5746 2 10 . 1 1 12 12 GLY N . . 1237.7 14.6 . . . . . 5746 2 11 . 1 1 13 13 LYS N . . 1231.4 25.3 . . . . . 5746 2 12 . 1 1 14 14 GLY N . . 1190.7 13.3 . . . . . 5746 2 13 . 1 1 15 15 THR N . . 1393.7 30.2 . . . . . 5746 2 14 . 1 1 16 16 GLN N . . 1341.7 28.5 . . . . . 5746 2 15 . 1 1 17 17 ALA N . . 1277.9 26.9 . . . . . 5746 2 16 . 1 1 18 18 GLN N . . 1311.8 27.8 . . . . . 5746 2 17 . 1 1 19 19 PHE N . . 1306.8 27.5 . . . . . 5746 2 18 . 1 1 20 20 ILE N . . 1364.1 29.4 . . . . . 5746 2 19 . 1 1 21 21 MET N . . 1314.2 27.8 . . . . . 5746 2 20 . 1 1 22 22 GLU N . . 1316.2 27.8 . . . . . 5746 2 21 . 1 1 23 23 LYS N . . 1360.2 29.1 . . . . . 5746 2 22 . 1 1 24 24 TYR N . . 1380.0 29.7 . . . . . 5746 2 23 . 1 1 25 25 GLY N . . 1366.8 29.4 . . . . . 5746 2 24 . 1 1 26 26 ILE N . . 1354.4 28.9 . . . . . 5746 2 25 . 1 1 28 28 GLN N . . 1369.1 29.3 . . . . . 5746 2 26 . 1 1 29 29 ILE N . . 1378.1 29.9 . . . . . 5746 2 27 . 1 1 30 30 SER N . . 1373.4 29.6 . . . . . 5746 2 28 . 1 1 31 31 THR N . . 1244.0 26.0 . . . . . 5746 2 29 . 1 1 32 32 GLY N . . 1366.2 17.7 . . . . . 5746 2 30 . 1 1 33 33 ASP N . . 1423.4 31.0 . . . . . 5746 2 31 . 1 1 34 34 MET N . . 1311.5 27.7 . . . . . 5746 2 32 . 1 1 35 35 LEU N . . 1336.6 28.3 . . . . . 5746 2 33 . 1 1 36 36 ARG N . . 1358.6 29.0 . . . . . 5746 2 34 . 1 1 37 37 ALA N . . 1354.4 28.9 . . . . . 5746 2 35 . 1 1 38 38 ALA N . . 1402.1 30.4 . . . . . 5746 2 36 . 1 1 39 39 VAL N . . 1344.4 28.6 . . . . . 5746 2 37 . 1 1 40 40 LYS N . . 1356.1 29.1 . . . . . 5746 2 38 . 1 1 41 41 SER N . . 1347.6 28.8 . . . . . 5746 2 39 . 1 1 42 42 GLY N . . 1223.3 25.4 . . . . . 5746 2 40 . 1 1 43 43 SER N . . 1250.9 25.9 . . . . . 5746 2 41 . 1 1 44 44 GLU N . . 1278.1 27.5 . . . . . 5746 2 42 . 1 1 45 45 LEU N . . 1216.2 25.3 . . . . . 5746 2 43 . 1 1 46 46 GLY N . . 1275.6 26.6 . . . . . 5746 2 44 . 1 1 48 48 GLN N . . 1266.3 26.3 . . . . . 5746 2 45 . 1 1 49 49 ALA N . . 1319.3 27.9 . . . . . 5746 2 46 . 1 1 50 50 LYS N . . 1342.2 28.6 . . . . . 5746 2 47 . 1 1 51 51 ASP N . . 1288.3 27.2 . . . . . 5746 2 48 . 1 1 52 52 ILE N . . 1339.0 28.5 . . . . . 5746 2 49 . 1 1 53 53 MET N . . 1307.2 27.7 . . . . . 5746 2 50 . 1 1 54 54 ASP N . . 1304.6 27.4 . . . . . 5746 2 51 . 1 1 55 55 ALA N . . 1341.7 28.5 . . . . . 5746 2 52 . 1 1 56 56 GLY N . . 1316.4 27.8 . . . . . 5746 2 53 . 1 1 57 57 LYS N . . 1305.1 27.7 . . . . . 5746 2 54 . 1 1 58 58 LEU N . . 1314.4 27.9 . . . . . 5746 2 55 . 1 1 59 59 VAL N . . 1365.9 29.4 . . . . . 5746 2 56 . 1 1 60 60 THR N . . 1342.2 28.8 . . . . . 5746 2 57 . 1 1 61 61 ASP N . . 1412.5 30.8 . . . . . 5746 2 58 . 1 1 62 62 GLU N . . 1283.2 26.9 . . . . . 5746 2 59 . 1 1 63 63 LEU N . . 1321.4 27.8 . . . . . 5746 2 60 . 1 1 64 64 VAL N . . 1331.8 28.4 . . . . . 5746 2 61 . 1 1 65 65 ILE N . . 1318.2 28.1 . . . . . 5746 2 62 . 1 1 66 66 ALA N . . 1273.8 26.5 . . . . . 5746 2 63 . 1 1 67 67 LEU N . . 1317.0 27.8 . . . . . 5746 2 64 . 1 1 68 68 VAL N . . 1296.5 27.1 . . . . . 5746 2 65 . 1 1 69 69 LYS N . . 1307.2 27.5 . . . . . 5746 2 66 . 1 1 70 70 GLU N . . 1343.1 28.6 . . . . . 5746 2 67 . 1 1 71 71 ARG N . . 1351.1 29.1 . . . . . 5746 2 68 . 1 1 72 72 ILE N . . 1307.5 27.5 . . . . . 5746 2 69 . 1 1 73 73 ALA N . . 1298.4 27.1 . . . . . 5746 2 70 . 1 1 74 74 GLN N . . 1412.9 30.8 . . . . . 5746 2 71 . 1 1 75 75 GLU N . . 1278.1 27.5 . . . . . 5746 2 72 . 1 1 76 76 ASP N . . 1311.4 27.6 . . . . . 5746 2 73 . 1 1 77 77 CYS N . . 1397.2 30.3 . . . . . 5746 2 74 . 1 1 78 78 ARG N . . 1339.3 28.5 . . . . . 5746 2 75 . 1 1 79 79 ASN N . . 1361.6 29.8 . . . . . 5746 2 76 . 1 1 80 80 GLY N . . 1416.4 30.8 . . . . . 5746 2 77 . 1 1 81 81 PHE N . . 1413.7 30.7 . . . . . 5746 2 78 . 1 1 82 82 LEU N . . 1373.4 29.6 . . . . . 5746 2 79 . 1 1 83 83 LEU N . . 1429.2 31.2 . . . . . 5746 2 80 . 1 1 84 84 ASP N . . 1396.2 30.1 . . . . . 5746 2 81 . 1 1 85 85 GLY N . . 1325.6 16.3 . . . . . 5746 2 82 . 1 1 86 86 PHE N . . 1289.6 26.9 . . . . . 5746 2 83 . 1 1 88 88 ARG N . . 1275.1 26.4 . . . . . 5746 2 84 . 1 1 89 89 THR N . . 1356.2 29.0 . . . . . 5746 2 85 . 1 1 90 90 ILE N . . 1334.6 28.3 . . . . . 5746 2 86 . 1 1 92 92 GLN N . . 1363.8 29.3 . . . . . 5746 2 87 . 1 1 93 93 ALA N . . 1321.2 28.0 . . . . . 5746 2 88 . 1 1 94 94 ASP N . . 1332.6 28.3 . . . . . 5746 2 89 . 1 1 95 95 ALA N . . 1342.4 28.6 . . . . . 5746 2 90 . 1 1 96 96 MET N . . 1313.3 27.5 . . . . . 5746 2 91 . 1 1 97 97 LYS N . . 1382.8 29.8 . . . . . 5746 2 92 . 1 1 98 98 GLU N . . 1427.5 31.4 . . . . . 5746 2 93 . 1 1 99 99 ALA N . . 1398.2 30.3 . . . . . 5746 2 94 . 1 1 100 100 GLY N . . 1327.5 28.2 . . . . . 5746 2 95 . 1 1 101 101 ILE N . . 1369.1 29.3 . . . . . 5746 2 96 . 1 1 102 102 ASN N . . 1354.4 29.0 . . . . . 5746 2 97 . 1 1 103 103 VAL N . . 1385.6 30.1 . . . . . 5746 2 98 . 1 1 104 104 ASP N . . 1401.8 30.4 . . . . . 5746 2 99 . 1 1 105 105 TYR N . . 1426.8 31.2 . . . . . 5746 2 100 . 1 1 106 106 VAL N . . 1486.7 33.2 . . . . . 5746 2 101 . 1 1 107 107 LEU N . . 1418.1 31.0 . . . . . 5746 2 102 . 1 1 108 108 GLU N . . 1429.9 31.5 . . . . . 5746 2 103 . 1 1 109 109 PHE N . . 1433.3 32.0 . . . . . 5746 2 104 . 1 1 110 110 ASP N . . 1412.5 30.8 . . . . . 5746 2 105 . 1 1 111 111 VAL N . . 1461.4 32.2 . . . . . 5746 2 106 . 1 1 113 113 ASP N . . 1408.5 30.5 . . . . . 5746 2 107 . 1 1 114 114 GLU N . . 1353.8 29.0 . . . . . 5746 2 108 . 1 1 115 115 LEU N . . 1324.7 28.2 . . . . . 5746 2 109 . 1 1 116 116 ILE N . . 1363.6 29.4 . . . . . 5746 2 110 . 1 1 117 117 VAL N . . 1337.5 28.4 . . . . . 5746 2 111 . 1 1 118 118 ASP N . . 1329.5 28.2 . . . . . 5746 2 112 . 1 1 119 119 ARG N . . 1364.1 30.0 . . . . . 5746 2 113 . 1 1 120 120 ILE N . . 1208.8 24.6 . . . . . 5746 2 114 . 1 1 121 121 VAL N . . 1343.4 28.7 . . . . . 5746 2 115 . 1 1 122 122 GLY N . . 1323.1 27.9 . . . . . 5746 2 116 . 1 1 123 123 ARG N . . 1247.8 25.7 . . . . . 5746 2 117 . 1 1 124 124 ARG N . . 1381.6 29.5 . . . . . 5746 2 118 . 1 1 125 125 VAL N . . 1305.3 27.6 . . . . . 5746 2 119 . 1 1 126 126 HIS N . . 1378.7 29.7 . . . . . 5746 2 120 . 1 1 127 127 ALA N . . 1419.8 31.2 . . . . . 5746 2 121 . 1 1 129 129 SER N . . 1395.6 30.2 . . . . . 5746 2 122 . 1 1 130 130 GLY N . . 1335.6 28.3 . . . . . 5746 2 123 . 1 1 131 131 ARG N . . 1298.0 27.3 . . . . . 5746 2 124 . 1 1 132 132 VAL N . . 1304.1 27.6 . . . . . 5746 2 125 . 1 1 133 133 TYR N . . 1386.3 30.1 . . . . . 5746 2 126 . 1 1 134 134 HIS N . . 1396.6 30.2 . . . . . 5746 2 127 . 1 1 135 135 VAL N . . 1358.4 29.6 . . . . . 5746 2 128 . 1 1 136 136 LYS N . . 1353.4 29.0 . . . . . 5746 2 129 . 1 1 137 137 PHE N . . 1433.0 32.7 . . . . . 5746 2 130 . 1 1 138 138 ASN N . . 1309.6 28.0 . . . . . 5746 2 131 . 1 1 141 141 LYS N . . 1377.5 29.7 . . . . . 5746 2 132 . 1 1 142 142 VAL N . . 1423.8 31.2 . . . . . 5746 2 133 . 1 1 143 143 GLU N . . 1452.5 32.0 . . . . . 5746 2 134 . 1 1 144 144 GLY N . . 1415.7 30.9 . . . . . 5746 2 135 . 1 1 145 145 LYS N . . 1275.1 26.4 . . . . . 5746 2 136 . 1 1 146 146 ASP N . . 1374.2 29.7 . . . . . 5746 2 137 . 1 1 147 147 ASP N . . 1371.5 29.5 . . . . . 5746 2 138 . 1 1 148 148 VAL N . . 1375.0 29.6 . . . . . 5746 2 139 . 1 1 149 149 THR N . . 1410.6 30.7 . . . . . 5746 2 140 . 1 1 150 150 GLY N . . 1307.8 27.5 . . . . . 5746 2 141 . 1 1 151 151 GLU N . . 1328.6 28.3 . . . . . 5746 2 142 . 1 1 152 152 GLU N . . 1402.5 30.5 . . . . . 5746 2 143 . 1 1 153 153 LEU N . . 1364.1 29.4 . . . . . 5746 2 144 . 1 1 154 154 THR N . . 1365.9 29.3 . . . . . 5746 2 145 . 1 1 155 155 THR N . . 1365.5 29.6 . . . . . 5746 2 146 . 1 1 156 156 ARG N . . 1226.2 25.6 . . . . . 5746 2 147 . 1 1 157 157 LYS N . . 1408.5 30.5 . . . . . 5746 2 148 . 1 1 158 158 ASP N . . 1246.3 25.8 . . . . . 5746 2 149 . 1 1 159 159 ASP N . . 1389.7 31.0 . . . . . 5746 2 150 . 1 1 160 160 GLN N . . 1369.8 29.4 . . . . . 5746 2 151 . 1 1 161 161 GLU N . . 1366.4 30.0 . . . . . 5746 2 152 . 1 1 162 162 GLU N . . 1333.0 28.3 . . . . . 5746 2 153 . 1 1 163 163 THR N . . 1394.4 30.2 . . . . . 5746 2 154 . 1 1 164 164 VAL N . . 1371.5 29.7 . . . . . 5746 2 155 . 1 1 165 165 ARG N . . 1392.1 29.9 . . . . . 5746 2 156 . 1 1 166 166 LYS N . . 1427.5 31.4 . . . . . 5746 2 157 . 1 1 167 167 ARG N . . 1314.2 27.8 . . . . . 5746 2 158 . 1 1 168 168 LEU N . . 1401.8 30.4 . . . . . 5746 2 159 . 1 1 169 169 VAL N . . 1393.7 30.2 . . . . . 5746 2 160 . 1 1 170 170 GLU N . . 1304.1 27.6 . . . . . 5746 2 161 . 1 1 171 171 TYR N . . 1376.2 29.8 . . . . . 5746 2 162 . 1 1 172 172 HIS N . . 1391.9 30.2 . . . . . 5746 2 163 . 1 1 173 173 GLN N . . 1449.8 31.8 . . . . . 5746 2 164 . 1 1 174 174 MET N . . 1458.7 32.1 . . . . . 5746 2 165 . 1 1 175 175 THR N . . 1455.5 32.2 . . . . . 5746 2 166 . 1 1 176 176 ALA N . . 1300.6 27.2 . . . . . 5746 2 167 . 1 1 178 178 LEU N . . 1403.6 31.1 . . . . . 5746 2 168 . 1 1 179 179 ILE N . . 1326.2 28.0 . . . . . 5746 2 169 . 1 1 180 180 GLY N . . 1397.9 30.4 . . . . . 5746 2 170 . 1 1 181 181 TYR N . . 1380.0 29.8 . . . . . 5746 2 171 . 1 1 182 182 TYR N . . 1387.2 29.9 . . . . . 5746 2 172 . 1 1 183 183 SER N . . 1311.5 27.7 . . . . . 5746 2 173 . 1 1 184 184 LYS N . . 1348.7 28.9 . . . . . 5746 2 174 . 1 1 185 185 GLU N . . 1358.9 29.1 . . . . . 5746 2 175 . 1 1 186 186 ALA N . . 1342.7 28.6 . . . . . 5746 2 176 . 1 1 187 187 GLU N . . 1354.4 28.9 . . . . . 5746 2 177 . 1 1 188 188 ALA N . . 1428.2 31.3 . . . . . 5746 2 178 . 1 1 189 189 GLY N . . 1391.5 30.2 . . . . . 5746 2 179 . 1 1 190 190 ASN N . . 1208.8 24.7 . . . . . 5746 2 180 . 1 1 191 191 THR N . . 1329.2 28.2 . . . . . 5746 2 181 . 1 1 192 192 LYS N . . 1402.1 30.4 . . . . . 5746 2 182 . 1 1 193 193 TYR N . . 1446.8 31.8 . . . . . 5746 2 183 . 1 1 194 194 ALA N . . 1386.6 29.8 . . . . . 5746 2 184 . 1 1 195 195 LYS N . . 1522.5 34.4 . . . . . 5746 2 185 . 1 1 196 196 VAL N . . 1386.3 30.1 . . . . . 5746 2 186 . 1 1 197 197 ASP N . . 1420.6 31.1 . . . . . 5746 2 187 . 1 1 198 198 GLY N . . 1444.5 32.0 . . . . . 5746 2 188 . 1 1 199 199 THR N . . 1305.9 27.6 . . . . . 5746 2 189 . 1 1 200 200 LYS N . . 1371.2 29.4 . . . . . 5746 2 190 . 1 1 202 202 VAL N . . 1417.9 31.0 . . . . . 5746 2 191 . 1 1 203 203 ALA N . . 1352.0 29.0 . . . . . 5746 2 192 . 1 1 204 204 GLU N . . 1398.2 30.3 . . . . . 5746 2 193 . 1 1 205 205 VAL N . . 1411.1 30.7 . . . . . 5746 2 194 . 1 1 206 206 ARG N . . 1403.6 30.6 . . . . . 5746 2 195 . 1 1 207 207 ALA N . . 1373.3 29.6 . . . . . 5746 2 196 . 1 1 208 208 ASP N . . 1414.8 30.8 . . . . . 5746 2 197 . 1 1 209 209 LEU N . . 1419.4 31.0 . . . . . 5746 2 198 . 1 1 210 210 GLU N . . 1414.5 30.6 . . . . . 5746 2 199 . 1 1 211 211 LYS N . . 1387.8 29.9 . . . . . 5746 2 200 . 1 1 212 212 ILE N . . 1476.0 32.9 . . . . . 5746 2 201 . 1 1 213 213 LEU N . . 1412.2 30.8 . . . . . 5746 2 202 . 1 1 214 214 GLY N . . 1146.1 22.9 . . . . . 5746 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_600 _Heteronucl_T2_list.Entry_ID 5746 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_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 Ny _Heteronucl_T2_list.T2_val_units ms _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 $sample_1 . 5746 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ARG N . . 64.86 1.09 . . . . . . . 5746 1 2 . 1 1 3 3 ILE N . . 66.10 1.11 . . . . . . . 5746 1 3 . 1 1 4 4 ILE N . . 68.03 1.15 . . . . . . . 5746 1 4 . 1 1 5 5 LEU N . . 63.74 1.06 . . . . . . . 5746 1 5 . 1 1 6 6 LEU N . . 66.78 1.11 . . . . . . . 5746 1 6 . 1 1 7 7 GLY N . . 69.32 1.19 . . . . . . . 5746 1 7 . 1 1 8 8 ALA N . . 58.01 0.96 . . . . . . . 5746 1 8 . 1 1 10 10 GLY N . . 48.49 0.89 . . . . . . . 5746 1 9 . 1 1 11 11 ALA N . . 55.33 0.91 . . . . . . . 5746 1 10 . 1 1 12 12 GLY N . . 62.16 1.04 . . . . . . . 5746 1 11 . 1 1 13 13 LYS N . . 67.85 1.14 . . . . . . . 5746 1 12 . 1 1 14 14 GLY N . . 59.75 1.05 . . . . . . . 5746 1 13 . 1 1 15 15 THR N . . 61.05 1.00 . . . . . . . 5746 1 14 . 1 1 16 16 GLN N . . 63.84 1.05 . . . . . . . 5746 1 15 . 1 1 17 17 ALA N . . 62.78 1.06 . . . . . . . 5746 1 16 . 1 1 18 18 GLN N . . 67.57 1.13 . . . . . . . 5746 1 17 . 1 1 19 19 PHE N . . 64.44 1.08 . . . . . . . 5746 1 18 . 1 1 20 20 ILE N . . 68.96 0.95 . . . . . . . 5746 1 19 . 1 1 21 21 MET N . . 62.90 1.04 . . . . . . . 5746 1 20 . 1 1 22 22 GLU N . . 67.66 1.12 . . . . . . . 5746 1 21 . 1 1 23 23 LYS N . . 66.30 1.09 . . . . . . . 5746 1 22 . 1 1 24 24 TYR N . . 66.68 1.12 . . . . . . . 5746 1 23 . 1 1 25 25 GLY N . . 66.58 1.10 . . . . . . . 5746 1 24 . 1 1 26 26 ILE N . . 64.23 1.07 . . . . . . . 5746 1 25 . 1 1 28 28 GLN N . . 69.04 1.16 . . . . . . . 5746 1 26 . 1 1 29 29 ILE N . . 48.85 0.89 . . . . . . . 5746 1 27 . 1 1 30 30 SER N . . 66.90 1.11 . . . . . . . 5746 1 28 . 1 1 31 31 THR N . . 63.53 1.05 . . . . . . . 5746 1 29 . 1 1 32 32 GLY N . . 48.38 0.91 . . . . . . . 5746 1 30 . 1 1 33 33 ASP N . . 75.03 1.33 . . . . . . . 5746 1 31 . 1 1 34 34 MET N . . 59.75 0.99 . . . . . . . 5746 1 32 . 1 1 35 35 LEU N . . 65.03 1.09 . . . . . . . 5746 1 33 . 1 1 36 36 ARG N . . 64.04 1.07 . . . . . . . 5746 1 34 . 1 1 37 37 ALA N . . 64.23 1.07 . . . . . . . 5746 1 35 . 1 1 38 38 ALA N . . 69.51 1.16 . . . . . . . 5746 1 36 . 1 1 39 39 VAL N . . 69.84 1.19 . . . . . . . 5746 1 37 . 1 1 40 40 LYS N . . 66.25 1.09 . . . . . . . 5746 1 38 . 1 1 41 41 SER N . . 70.76 1.19 . . . . . . . 5746 1 39 . 1 1 42 42 GLY N . . 70.46 1.18 . . . . . . . 5746 1 40 . 1 1 43 43 SER N . . 72.56 1.23 . . . . . . . 5746 1 41 . 1 1 44 44 GLU N . . 65.53 1.11 . . . . . . . 5746 1 42 . 1 1 45 45 LEU N . . 69.97 1.19 . . . . . . . 5746 1 43 . 1 1 46 46 GLY N . . 70.28 1.16 . . . . . . . 5746 1 44 . 1 1 48 48 GLN N . . 71.61 1.20 . . . . . . . 5746 1 45 . 1 1 49 49 ALA N . . 69.84 1.19 . . . . . . . 5746 1 46 . 1 1 50 50 LYS N . . 67.99 1.12 . . . . . . . 5746 1 47 . 1 1 51 51 ASP N . . 68.93 1.16 . . . . . . . 5746 1 48 . 1 1 52 52 ILE N . . 70.80 1.20 . . . . . . . 5746 1 49 . 1 1 53 53 MET N . . 64.18 1.07 . . . . . . . 5746 1 50 . 1 1 54 54 ASP N . . 63.49 1.06 . . . . . . . 5746 1 51 . 1 1 55 55 ALA N . . 66.88 1.11 . . . . . . . 5746 1 52 . 1 1 56 56 GLY N . . 68.15 1.14 . . . . . . . 5746 1 53 . 1 1 57 57 LYS N . . 62.06 1.03 . . . . . . . 5746 1 54 . 1 1 58 58 LEU N . . 69.83 1.20 . . . . . . . 5746 1 55 . 1 1 59 59 VAL N . . 66.48 1.13 . . . . . . . 5746 1 56 . 1 1 60 60 THR N . . 67.13 1.12 . . . . . . . 5746 1 57 . 1 1 61 61 ASP N . . 64.89 1.10 . . . . . . . 5746 1 58 . 1 1 62 62 GLU N . . 66.26 1.10 . . . . . . . 5746 1 59 . 1 1 63 63 LEU N . . 62.71 1.04 . . . . . . . 5746 1 60 . 1 1 64 64 VAL N . . 64.71 1.06 . . . . . . . 5746 1 61 . 1 1 65 65 ILE N . . 62.04 1.06 . . . . . . . 5746 1 62 . 1 1 66 66 ALA N . . 63.76 1.06 . . . . . . . 5746 1 63 . 1 1 67 67 LEU N . . 66.81 1.12 . . . . . . . 5746 1 64 . 1 1 68 68 VAL N . . 64.94 1.02 . . . . . . . 5746 1 65 . 1 1 69 69 LYS N . . 63.54 1.06 . . . . . . . 5746 1 66 . 1 1 70 70 GLU N . . 65.68 1.10 . . . . . . . 5746 1 67 . 1 1 71 71 ARG N . . 65.66 1.10 . . . . . . . 5746 1 68 . 1 1 72 72 ILE N . . 56.60 0.94 . . . . . . . 5746 1 69 . 1 1 73 73 ALA N . . 60.51 1.00 . . . . . . . 5746 1 70 . 1 1 74 74 GLN N . . 70.44 1.19 . . . . . . . 5746 1 71 . 1 1 75 75 GLU N . . 65.53 1.11 . . . . . . . 5746 1 72 . 1 1 76 76 ASP N . . 63.25 1.05 . . . . . . . 5746 1 73 . 1 1 77 77 CYS N . . 60.72 1.00 . . . . . . . 5746 1 74 . 1 1 78 78 ARG N . . 65.47 1.08 . . . . . . . 5746 1 75 . 1 1 79 79 ASN N . . 69.42 1.17 . . . . . . . 5746 1 76 . 1 1 80 80 GLY N . . 75.01 1.28 . . . . . . . 5746 1 77 . 1 1 81 81 PHE N . . 67.44 1.14 . . . . . . . 5746 1 78 . 1 1 82 82 LEU N . . 65.01 1.08 . . . . . . . 5746 1 79 . 1 1 83 83 LEU N . . 62.93 1.05 . . . . . . . 5746 1 80 . 1 1 84 84 ASP N . . 46.92 0.88 . . . . . . . 5746 1 81 . 1 1 85 85 GLY N . . 57.73 0.93 . . . . . . . 5746 1 82 . 1 1 86 86 PHE N . . 62.77 1.01 . . . . . . . 5746 1 83 . 1 1 88 88 ARG N . . 61.20 1.00 . . . . . . . 5746 1 84 . 1 1 89 89 THR N . . 66.58 1.10 . . . . . . . 5746 1 85 . 1 1 90 90 ILE N . . 65.75 1.10 . . . . . . . 5746 1 86 . 1 1 92 92 GLN N . . 65.03 1.08 . . . . . . . 5746 1 87 . 1 1 93 93 ALA N . . 65.12 1.09 . . . . . . . 5746 1 88 . 1 1 94 94 ASP N . . 62.84 1.06 . . . . . . . 5746 1 89 . 1 1 95 95 ALA N . . 63.09 1.05 . . . . . . . 5746 1 90 . 1 1 96 96 MET N . . 65.03 1.11 . . . . . . . 5746 1 91 . 1 1 97 97 LYS N . . 63.98 1.05 . . . . . . . 5746 1 92 . 1 1 98 98 GLU N . . 62.09 1.03 . . . . . . . 5746 1 93 . 1 1 99 99 ALA N . . 66.99 1.13 . . . . . . . 5746 1 94 . 1 1 100 100 GLY N . . 71.33 1.18 . . . . . . . 5746 1 95 . 1 1 101 101 ILE N . . 69.04 1.16 . . . . . . . 5746 1 96 . 1 1 102 102 ASN N . . 83.39 1.52 . . . . . . . 5746 1 97 . 1 1 103 103 VAL N . . 77.98 1.37 . . . . . . . 5746 1 98 . 1 1 104 104 ASP N . . 61.59 1.01 . . . . . . . 5746 1 99 . 1 1 105 105 TYR N . . 65.65 1.10 . . . . . . . 5746 1 100 . 1 1 106 106 VAL N . . 69.55 1.15 . . . . . . . 5746 1 101 . 1 1 107 107 LEU N . . 67.79 1.13 . . . . . . . 5746 1 102 . 1 1 108 108 GLU N . . 66.23 1.10 . . . . . . . 5746 1 103 . 1 1 109 109 PHE N . . 68.13 1.15 . . . . . . . 5746 1 104 . 1 1 110 110 ASP N . . 69.32 1.19 . . . . . . . 5746 1 105 . 1 1 111 111 VAL N . . 66.59 1.12 . . . . . . . 5746 1 106 . 1 1 113 113 ASP N . . 63.71 1.06 . . . . . . . 5746 1 107 . 1 1 114 114 GLU N . . 64.16 1.07 . . . . . . . 5746 1 108 . 1 1 115 115 LEU N . . 63.41 1.04 . . . . . . . 5746 1 109 . 1 1 116 116 ILE N . . 62.80 1.05 . . . . . . . 5746 1 110 . 1 1 117 117 VAL N . . 62.37 1.03 . . . . . . . 5746 1 111 . 1 1 118 118 ASP N . . 68.95 1.15 . . . . . . . 5746 1 112 . 1 1 119 119 ARG N . . 59.74 0.98 . . . . . . . 5746 1 113 . 1 1 120 120 ILE N . . 67.09 0.94 . . . . . . . 5746 1 114 . 1 1 121 121 VAL N . . 57.60 0.95 . . . . . . . 5746 1 115 . 1 1 122 122 GLY N . . 57.23 0.93 . . . . . . . 5746 1 116 . 1 1 123 123 ARG N . . 59.66 0.97 . . . . . . . 5746 1 117 . 1 1 124 124 ARG N . . 57.96 0.94 . . . . . . . 5746 1 118 . 1 1 125 125 VAL N . . 66.26 1.10 . . . . . . . 5746 1 119 . 1 1 126 126 HIS N . . 65.56 1.09 . . . . . . . 5746 1 120 . 1 1 127 127 ALA N . . 66.27 1.11 . . . . . . . 5746 1 121 . 1 1 129 129 SER N . . 68.15 1.14 . . . . . . . 5746 1 122 . 1 1 130 130 GLY N . . 65.47 1.09 . . . . . . . 5746 1 123 . 1 1 131 131 ARG N . . 64.68 1.06 . . . . . . . 5746 1 124 . 1 1 132 132 VAL N . . 64.41 1.05 . . . . . . . 5746 1 125 . 1 1 133 133 TYR N . . 64.88 1.08 . . . . . . . 5746 1 126 . 1 1 134 134 HIS N . . 66.85 1.11 . . . . . . . 5746 1 127 . 1 1 135 135 VAL N . . 64.34 1.05 . . . . . . . 5746 1 128 . 1 1 136 136 LYS N . . 64.29 1.07 . . . . . . . 5746 1 129 . 1 1 137 137 PHE N . . 69.10 1.18 . . . . . . . 5746 1 130 . 1 1 138 138 ASN N . . 70.17 1.17 . . . . . . . 5746 1 131 . 1 1 141 141 LYS N . . 70.81 1.19 . . . . . . . 5746 1 132 . 1 1 142 142 VAL N . . 68.05 1.15 . . . . . . . 5746 1 133 . 1 1 143 143 GLU N . . 71.50 1.21 . . . . . . . 5746 1 134 . 1 1 144 144 GLY N . . 68.07 1.18 . . . . . . . 5746 1 135 . 1 1 145 145 LYS N . . 65.87 1.09 . . . . . . . 5746 1 136 . 1 1 146 146 ASP N . . 65.64 1.11 . . . . . . . 5746 1 137 . 1 1 147 147 ASP N . . 67.28 1.12 . . . . . . . 5746 1 138 . 1 1 148 148 VAL N . . 70.38 1.17 . . . . . . . 5746 1 139 . 1 1 149 149 THR N . . 68.15 1.14 . . . . . . . 5746 1 140 . 1 1 150 150 GLY N . . 64.88 1.07 . . . . . . . 5746 1 141 . 1 1 151 151 GLU N . . 63.44 1.05 . . . . . . . 5746 1 142 . 1 1 152 152 GLU N . . 73.09 1.24 . . . . . . . 5746 1 143 . 1 1 153 153 LEU N . . 65.57 1.09 . . . . . . . 5746 1 144 . 1 1 154 154 THR N . . 68.97 1.15 . . . . . . . 5746 1 145 . 1 1 155 155 THR N . . 59.35 0.98 . . . . . . . 5746 1 146 . 1 1 156 156 ARG N . . 67.01 1.13 . . . . . . . 5746 1 147 . 1 1 157 157 LYS N . . 67.53 0.95 . . . . . . . 5746 1 148 . 1 1 158 158 ASP N . . 66.33 1.11 . . . . . . . 5746 1 149 . 1 1 159 159 ASP N . . 37.65 0.65 . . . . . . . 5746 1 150 . 1 1 160 160 GLN N . . 83.44 1.50 . . . . . . . 5746 1 151 . 1 1 161 161 GLU N . . 63.90 1.06 . . . . . . . 5746 1 152 . 1 1 162 162 GLU N . . 64.41 1.07 . . . . . . . 5746 1 153 . 1 1 163 163 THR N . . 65.15 1.09 . . . . . . . 5746 1 154 . 1 1 164 164 VAL N . . 60.74 1.00 . . . . . . . 5746 1 155 . 1 1 165 165 ARG N . . 58.78 0.97 . . . . . . . 5746 1 156 . 1 1 166 166 LYS N . . 59.80 0.98 . . . . . . . 5746 1 157 . 1 1 167 167 ARG N . . 60.04 0.98 . . . . . . . 5746 1 158 . 1 1 168 168 LEU N . . 66.01 1.10 . . . . . . . 5746 1 159 . 1 1 169 169 VAL N . . 61.05 1.00 . . . . . . . 5746 1 160 . 1 1 170 170 GLU N . . 64.41 1.05 . . . . . . . 5746 1 161 . 1 1 171 171 TYR N . . 60.66 1.00 . . . . . . . 5746 1 162 . 1 1 172 172 HIS N . . 58.61 0.96 . . . . . . . 5746 1 163 . 1 1 173 173 GLN N . . 62.96 1.04 . . . . . . . 5746 1 164 . 1 1 174 174 MET N . . 64.49 1.07 . . . . . . . 5746 1 165 . 1 1 175 175 THR N . . 64.48 1.05 . . . . . . . 5746 1 166 . 1 1 176 176 ALA N . . 61.65 1.01 . . . . . . . 5746 1 167 . 1 1 178 178 LEU N . . 60.64 1.01 . . . . . . . 5746 1 168 . 1 1 179 179 ILE N . . 62.56 1.05 . . . . . . . 5746 1 169 . 1 1 180 180 GLY N . . 68.15 1.14 . . . . . . . 5746 1 170 . 1 1 181 181 TYR N . . 61.18 1.01 . . . . . . . 5746 1 171 . 1 1 182 182 TYR N . . 59.50 0.96 . . . . . . . 5746 1 172 . 1 1 183 183 SER N . . 59.75 0.99 . . . . . . . 5746 1 173 . 1 1 184 184 LYS N . . 63.94 1.06 . . . . . . . 5746 1 174 . 1 1 185 185 GLU N . . 64.80 1.07 . . . . . . . 5746 1 175 . 1 1 186 186 ALA N . . 61.85 1.02 . . . . . . . 5746 1 176 . 1 1 187 187 GLU N . . 64.23 1.07 . . . . . . . 5746 1 177 . 1 1 188 188 ALA N . . 64.55 1.07 . . . . . . . 5746 1 178 . 1 1 189 189 GLY N . . 69.64 1.15 . . . . . . . 5746 1 179 . 1 1 190 190 ASN N . . 68.95 1.15 . . . . . . . 5746 1 180 . 1 1 191 191 THR N . . 70.76 1.19 . . . . . . . 5746 1 181 . 1 1 192 192 LYS N . . 69.51 1.16 . . . . . . . 5746 1 182 . 1 1 193 193 TYR N . . 71.67 1.21 . . . . . . . 5746 1 183 . 1 1 194 194 ALA N . . 66.25 1.11 . . . . . . . 5746 1 184 . 1 1 195 195 LYS N . . 71.94 1.22 . . . . . . . 5746 1 185 . 1 1 196 196 VAL N . . 64.88 1.08 . . . . . . . 5746 1 186 . 1 1 197 197 ASP N . . 69.73 1.19 . . . . . . . 5746 1 187 . 1 1 198 198 GLY N . . 68.69 1.16 . . . . . . . 5746 1 188 . 1 1 199 199 THR N . . 59.41 0.95 . . . . . . . 5746 1 189 . 1 1 200 200 LYS N . . 62.72 1.04 . . . . . . . 5746 1 190 . 1 1 202 202 VAL N . . 64.07 1.06 . . . . . . . 5746 1 191 . 1 1 203 203 ALA N . . 59.84 0.99 . . . . . . . 5746 1 192 . 1 1 204 204 GLU N . . 64.47 1.06 . . . . . . . 5746 1 193 . 1 1 205 205 VAL N . . 62.79 1.04 . . . . . . . 5746 1 194 . 1 1 206 206 ARG N . . 60.86 1.01 . . . . . . . 5746 1 195 . 1 1 207 207 ALA N . . 61.58 1.01 . . . . . . . 5746 1 196 . 1 1 208 208 ASP N . . 62.80 1.04 . . . . . . . 5746 1 197 . 1 1 209 209 LEU N . . 60.44 1.00 . . . . . . . 5746 1 198 . 1 1 210 210 GLU N . . 61.91 1.00 . . . . . . . 5746 1 199 . 1 1 211 211 LYS N . . 63.57 1.05 . . . . . . . 5746 1 200 . 1 1 212 212 ILE N . . 66.08 1.11 . . . . . . . 5746 1 201 . 1 1 213 213 LEU N . . 65.12 1.07 . . . . . . . 5746 1 202 . 1 1 214 214 GLY N . . 82.37 1.49 . . . . . . . 5746 1 stop_ save_ save_15N_T2_800 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_800 _Heteronucl_T2_list.Entry_ID 5746 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $condition_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units ms _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 $sample_1 . 5746 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ARG N . . 55.73 0.59 . . . . . . . 5746 2 2 . 1 1 3 3 ILE N . . 59.49 0.59 . . . . . . . 5746 2 3 . 1 1 4 4 ILE N . . 56.44 0.59 . . . . . . . 5746 2 4 . 1 1 5 5 LEU N . . 49.96 0.62 . . . . . . . 5746 2 5 . 1 1 6 6 LEU N . . 52.04 0.60 . . . . . . . 5746 2 6 . 1 1 7 7 GLY N . . 59.09 0.59 . . . . . . . 5746 2 7 . 1 1 8 8 ALA N . . 43.30 0.62 . . . . . . . 5746 2 8 . 1 1 10 10 GLY N . . 49.93 0.61 . . . . . . . 5746 2 9 . 1 1 11 11 ALA N . . 49.88 0.61 . . . . . . . 5746 2 10 . 1 1 12 12 GLY N . . 54.25 1.20 . . . . . . . 5746 2 11 . 1 1 13 13 LYS N . . 57.70 0.59 . . . . . . . 5746 2 12 . 1 1 14 14 GLY N . . 39.95 0.88 . . . . . . . 5746 2 13 . 1 1 15 15 THR N . . 52.28 0.60 . . . . . . . 5746 2 14 . 1 1 16 16 GLN N . . 52.60 0.62 . . . . . . . 5746 2 15 . 1 1 17 17 ALA N . . 52.52 0.59 . . . . . . . 5746 2 16 . 1 1 18 18 GLN N . . 57.06 0.59 . . . . . . . 5746 2 17 . 1 1 19 19 PHE N . . 53.83 0.60 . . . . . . . 5746 2 18 . 1 1 20 20 ILE N . . 57.33 0.59 . . . . . . . 5746 2 19 . 1 1 21 21 MET N . . 52.51 0.60 . . . . . . . 5746 2 20 . 1 1 22 22 GLU N . . 55.85 0.59 . . . . . . . 5746 2 21 . 1 1 23 23 LYS N . . 56.85 0.59 . . . . . . . 5746 2 22 . 1 1 24 24 TYR N . . 59.44 0.58 . . . . . . . 5746 2 23 . 1 1 25 25 GLY N . . 53.49 0.60 . . . . . . . 5746 2 24 . 1 1 26 26 ILE N . . 56.28 0.59 . . . . . . . 5746 2 25 . 1 1 28 28 GLN N . . 60.29 0.59 . . . . . . . 5746 2 26 . 1 1 29 29 ILE N . . 35.01 0.54 . . . . . . . 5746 2 27 . 1 1 30 30 SER N . . 64.96 1.56 . . . . . . . 5746 2 28 . 1 1 31 31 THR N . . 49.92 0.61 . . . . . . . 5746 2 29 . 1 1 32 32 GLY N . . 40.51 0.77 . . . . . . . 5746 2 30 . 1 1 33 33 ASP N . . 67.39 0.80 . . . . . . . 5746 2 31 . 1 1 34 34 MET N . . 49.36 0.61 . . . . . . . 5746 2 32 . 1 1 35 35 LEU N . . 55.66 0.59 . . . . . . . 5746 2 33 . 1 1 36 36 ARG N . . 52.12 0.60 . . . . . . . 5746 2 34 . 1 1 37 37 ALA N . . 56.28 0.59 . . . . . . . 5746 2 35 . 1 1 38 38 ALA N . . 60.47 0.60 . . . . . . . 5746 2 36 . 1 1 39 39 VAL N . . 53.10 0.60 . . . . . . . 5746 2 37 . 1 1 40 40 LYS N . . 54.78 0.59 . . . . . . . 5746 2 38 . 1 1 41 41 SER N . . 59.90 0.59 . . . . . . . 5746 2 39 . 1 1 42 42 GLY N . . 58.23 0.58 . . . . . . . 5746 2 40 . 1 1 43 43 SER N . . 60.38 0.61 . . . . . . . 5746 2 41 . 1 1 44 44 GLU N . . 57.37 0.58 . . . . . . . 5746 2 42 . 1 1 45 45 LEU N . . 60.67 0.61 . . . . . . . 5746 2 43 . 1 1 46 46 GLY N . . 58.74 0.58 . . . . . . . 5746 2 44 . 1 1 48 48 GLN N . . 59.86 0.59 . . . . . . . 5746 2 45 . 1 1 49 49 ALA N . . 61.50 0.63 . . . . . . . 5746 2 46 . 1 1 50 50 LYS N . . 55.25 0.59 . . . . . . . 5746 2 47 . 1 1 51 51 ASP N . . 56.11 0.59 . . . . . . . 5746 2 48 . 1 1 52 52 ILE N . . 59.50 0.59 . . . . . . . 5746 2 49 . 1 1 53 53 MET N . . 54.28 0.60 . . . . . . . 5746 2 50 . 1 1 54 54 ASP N . . 51.63 0.60 . . . . . . . 5746 2 51 . 1 1 55 55 ALA N . . 54.12 0.60 . . . . . . . 5746 2 52 . 1 1 56 56 GLY N . . 53.10 0.60 . . . . . . . 5746 2 53 . 1 1 57 57 LYS N . . 49.05 0.62 . . . . . . . 5746 2 54 . 1 1 58 58 LEU N . . 59.51 0.58 . . . . . . . 5746 2 55 . 1 1 59 59 VAL N . . 59.22 0.59 . . . . . . . 5746 2 56 . 1 1 60 60 THR N . . 53.61 0.59 . . . . . . . 5746 2 57 . 1 1 61 61 ASP N . . 58.82 1.39 . . . . . . . 5746 2 58 . 1 1 62 62 GLU N . . 54.76 0.59 . . . . . . . 5746 2 59 . 1 1 63 63 LEU N . . 42.42 0.62 . . . . . . . 5746 2 60 . 1 1 64 64 VAL N . . 46.72 0.61 . . . . . . . 5746 2 61 . 1 1 65 65 ILE N . . 51.98 0.60 . . . . . . . 5746 2 62 . 1 1 66 66 ALA N . . 48.99 0.61 . . . . . . . 5746 2 63 . 1 1 67 67 LEU N . . 54.32 0.59 . . . . . . . 5746 2 64 . 1 1 68 68 VAL N . . 50.26 0.61 . . . . . . . 5746 2 65 . 1 1 69 69 LYS N . . 55.41 0.59 . . . . . . . 5746 2 66 . 1 1 70 70 GLU N . . 55.62 0.59 . . . . . . . 5746 2 67 . 1 1 71 71 ARG N . . 55.22 0.60 . . . . . . . 5746 2 68 . 1 1 72 72 ILE N . . 45.81 0.61 . . . . . . . 5746 2 69 . 1 1 73 73 ALA N . . 51.29 0.60 . . . . . . . 5746 2 70 . 1 1 74 74 GLN N . . 59.34 0.59 . . . . . . . 5746 2 71 . 1 1 75 75 GLU N . . 60.38 0.61 . . . . . . . 5746 2 72 . 1 1 76 76 ASP N . . 51.96 0.61 . . . . . . . 5746 2 73 . 1 1 77 77 CYS N . . 50.78 0.61 . . . . . . . 5746 2 74 . 1 1 78 78 ARG N . . 54.73 0.60 . . . . . . . 5746 2 75 . 1 1 79 79 ASN N . . 61.10 0.62 . . . . . . . 5746 2 76 . 1 1 80 80 GLY N . . 62.58 0.65 . . . . . . . 5746 2 77 . 1 1 81 81 PHE N . . 56.66 0.59 . . . . . . . 5746 2 78 . 1 1 82 82 LEU N . . 55.13 0.59 . . . . . . . 5746 2 79 . 1 1 83 83 LEU N . . 54.72 0.59 . . . . . . . 5746 2 80 . 1 1 84 84 ASP N . . 38.56 0.60 . . . . . . . 5746 2 81 . 1 1 85 85 GLY N . . 54.87 1.21 . . . . . . . 5746 2 82 . 1 1 86 86 PHE N . . 50.97 0.60 . . . . . . . 5746 2 83 . 1 1 88 88 ARG N . . 54.49 0.60 . . . . . . . 5746 2 84 . 1 1 89 89 THR N . . 55.55 0.59 . . . . . . . 5746 2 85 . 1 1 90 90 ILE N . . 55.46 0.59 . . . . . . . 5746 2 86 . 1 1 92 92 GLN N . . 54.92 0.60 . . . . . . . 5746 2 87 . 1 1 93 93 ALA N . . 57.72 0.58 . . . . . . . 5746 2 88 . 1 1 94 94 ASP N . . 53.17 0.60 . . . . . . . 5746 2 89 . 1 1 95 95 ALA N . . 53.13 0.60 . . . . . . . 5746 2 90 . 1 1 96 96 MET N . . 52.27 0.60 . . . . . . . 5746 2 91 . 1 1 97 97 LYS N . . 59.87 1.40 . . . . . . . 5746 2 92 . 1 1 98 98 GLU N . . 53.85 0.60 . . . . . . . 5746 2 93 . 1 1 99 99 ALA N . . 57.26 0.59 . . . . . . . 5746 2 94 . 1 1 100 100 GLY N . . 57.39 0.59 . . . . . . . 5746 2 95 . 1 1 101 101 ILE N . . 60.29 0.59 . . . . . . . 5746 2 96 . 1 1 102 102 ASN N . . 71.82 0.98 . . . . . . . 5746 2 97 . 1 1 103 103 VAL N . . 66.86 0.80 . . . . . . . 5746 2 98 . 1 1 104 104 ASP N . . 47.85 0.60 . . . . . . . 5746 2 99 . 1 1 105 105 TYR N . . 57.50 0.59 . . . . . . . 5746 2 100 . 1 1 106 106 VAL N . . 62.12 0.64 . . . . . . . 5746 2 101 . 1 1 107 107 LEU N . . 58.99 0.58 . . . . . . . 5746 2 102 . 1 1 108 108 GLU N . . 59.34 0.58 . . . . . . . 5746 2 103 . 1 1 109 109 PHE N . . 54.18 0.60 . . . . . . . 5746 2 104 . 1 1 110 110 ASP N . . 58.14 0.58 . . . . . . . 5746 2 105 . 1 1 111 111 VAL N . . 56.92 0.59 . . . . . . . 5746 2 106 . 1 1 113 113 ASP N . . 55.13 0.59 . . . . . . . 5746 2 107 . 1 1 114 114 GLU N . . 54.25 0.60 . . . . . . . 5746 2 108 . 1 1 115 115 LEU N . . 52.18 0.60 . . . . . . . 5746 2 109 . 1 1 116 116 ILE N . . 52.13 0.60 . . . . . . . 5746 2 110 . 1 1 117 117 VAL N . . 51.86 0.60 . . . . . . . 5746 2 111 . 1 1 118 118 ASP N . . 58.31 0.59 . . . . . . . 5746 2 112 . 1 1 119 119 ARG N . . 48.86 0.61 . . . . . . . 5746 2 113 . 1 1 120 120 ILE N . . 59.51 0.59 . . . . . . . 5746 2 114 . 1 1 121 121 VAL N . . 43.79 0.63 . . . . . . . 5746 2 115 . 1 1 122 122 GLY N . . 44.54 0.62 . . . . . . . 5746 2 116 . 1 1 123 123 ARG N . . 46.00 0.61 . . . . . . . 5746 2 117 . 1 1 124 124 ARG N . . 41.55 0.63 . . . . . . . 5746 2 118 . 1 1 125 125 VAL N . . 53.47 0.60 . . . . . . . 5746 2 119 . 1 1 126 126 HIS N . . 55.56 0.59 . . . . . . . 5746 2 120 . 1 1 127 127 ALA N . . 56.52 0.60 . . . . . . . 5746 2 121 . 1 1 129 129 SER N . . 57.37 0.59 . . . . . . . 5746 2 122 . 1 1 130 130 GLY N . . 55.60 0.59 . . . . . . . 5746 2 123 . 1 1 131 131 ARG N . . 54.31 0.60 . . . . . . . 5746 2 124 . 1 1 132 132 VAL N . . 51.63 0.60 . . . . . . . 5746 2 125 . 1 1 133 133 TYR N . . 52.20 0.60 . . . . . . . 5746 2 126 . 1 1 134 134 HIS N . . 56.12 0.59 . . . . . . . 5746 2 127 . 1 1 135 135 VAL N . . 53.27 0.61 . . . . . . . 5746 2 128 . 1 1 136 136 LYS N . . 56.29 0.59 . . . . . . . 5746 2 129 . 1 1 137 137 PHE N . . 67.99 1.64 . . . . . . . 5746 2 130 . 1 1 138 138 ASN N . . 59.77 0.59 . . . . . . . 5746 2 131 . 1 1 141 141 LYS N . . 60.21 0.59 . . . . . . . 5746 2 132 . 1 1 142 142 VAL N . . 59.01 0.59 . . . . . . . 5746 2 133 . 1 1 143 143 GLU N . . 62.53 0.65 . . . . . . . 5746 2 134 . 1 1 144 144 GLY N . . 61.04 0.61 . . . . . . . 5746 2 135 . 1 1 145 145 LYS N . . 54.49 0.60 . . . . . . . 5746 2 136 . 1 1 146 146 ASP N . . 57.53 0.59 . . . . . . . 5746 2 137 . 1 1 147 147 ASP N . . 55.85 0.59 . . . . . . . 5746 2 138 . 1 1 148 148 VAL N . . 58.49 0.58 . . . . . . . 5746 2 139 . 1 1 149 149 THR N . . 58.77 0.58 . . . . . . . 5746 2 140 . 1 1 150 150 GLY N . . 53.59 0.60 . . . . . . . 5746 2 141 . 1 1 151 151 GLU N . . 53.65 0.60 . . . . . . . 5746 2 142 . 1 1 152 152 GLU N . . 62.36 0.65 . . . . . . . 5746 2 143 . 1 1 153 153 LEU N . . 57.33 0.59 . . . . . . . 5746 2 144 . 1 1 154 154 THR N . . 58.79 0.58 . . . . . . . 5746 2 145 . 1 1 155 155 THR N . . 43.00 0.61 . . . . . . . 5746 2 146 . 1 1 156 156 ARG N . . 47.69 0.60 . . . . . . . 5746 2 147 . 1 1 157 157 LYS N . . 51.38 0.60 . . . . . . . 5746 2 148 . 1 1 158 158 ASP N . . 51.86 0.58 . . . . . . . 5746 2 149 . 1 1 159 159 ASP N . . 23.82 0.39 . . . . . . . 5746 2 150 . 1 1 160 160 GLN N . . 67.80 0.84 . . . . . . . 5746 2 151 . 1 1 161 161 GLU N . . 55.23 0.59 . . . . . . . 5746 2 152 . 1 1 162 162 GLU N . . 55.21 0.59 . . . . . . . 5746 2 153 . 1 1 163 163 THR N . . 54.39 0.60 . . . . . . . 5746 2 154 . 1 1 164 164 VAL N . . 50.88 0.60 . . . . . . . 5746 2 155 . 1 1 165 165 ARG N . . 48.82 0.62 . . . . . . . 5746 2 156 . 1 1 166 166 LYS N . . 56.59 1.30 . . . . . . . 5746 2 157 . 1 1 167 167 ARG N . . 54.28 1.23 . . . . . . . 5746 2 158 . 1 1 168 168 LEU N . . 54.92 0.59 . . . . . . . 5746 2 159 . 1 1 169 169 VAL N . . 52.28 0.60 . . . . . . . 5746 2 160 . 1 1 170 170 GLU N . . 51.63 0.60 . . . . . . . 5746 2 161 . 1 1 171 171 TYR N . . 48.21 0.61 . . . . . . . 5746 2 162 . 1 1 172 172 HIS N . . 47.95 0.62 . . . . . . . 5746 2 163 . 1 1 173 173 GLN N . . 50.62 0.60 . . . . . . . 5746 2 164 . 1 1 174 174 MET N . . 51.40 0.60 . . . . . . . 5746 2 165 . 1 1 175 175 THR N . . 48.23 0.61 . . . . . . . 5746 2 166 . 1 1 176 176 ALA N . . 49.70 0.61 . . . . . . . 5746 2 167 . 1 1 178 178 LEU N . . 49.88 0.60 . . . . . . . 5746 2 168 . 1 1 179 179 ILE N . . 53.47 0.60 . . . . . . . 5746 2 169 . 1 1 180 180 GLY N . . 53.29 0.60 . . . . . . . 5746 2 170 . 1 1 181 181 TYR N . . 52.59 0.60 . . . . . . . 5746 2 171 . 1 1 182 182 TYR N . . 50.65 0.61 . . . . . . . 5746 2 172 . 1 1 183 183 SER N . . 49.36 0.61 . . . . . . . 5746 2 173 . 1 1 184 184 LYS N . . 54.52 0.59 . . . . . . . 5746 2 174 . 1 1 185 185 GLU N . . 55.39 0.59 . . . . . . . 5746 2 175 . 1 1 186 186 ALA N . . 54.11 0.60 . . . . . . . 5746 2 176 . 1 1 187 187 GLU N . . 56.28 0.59 . . . . . . . 5746 2 177 . 1 1 188 188 ALA N . . 55.26 0.60 . . . . . . . 5746 2 178 . 1 1 189 189 GLY N . . 58.96 0.59 . . . . . . . 5746 2 179 . 1 1 190 190 ASN N . . 59.51 0.59 . . . . . . . 5746 2 180 . 1 1 191 191 THR N . . 61.06 0.62 . . . . . . . 5746 2 181 . 1 1 192 192 LYS N . . 60.47 0.60 . . . . . . . 5746 2 182 . 1 1 193 193 TYR N . . 60.00 0.59 . . . . . . . 5746 2 183 . 1 1 194 194 ALA N . . 54.81 0.60 . . . . . . . 5746 2 184 . 1 1 195 195 LYS N . . 63.08 0.67 . . . . . . . 5746 2 185 . 1 1 196 196 VAL N . . 52.20 0.60 . . . . . . . 5746 2 186 . 1 1 197 197 ASP N . . 60.68 0.60 . . . . . . . 5746 2 187 . 1 1 198 198 GLY N . . 59.86 0.59 . . . . . . . 5746 2 188 . 1 1 199 199 THR N . . 49.22 0.61 . . . . . . . 5746 2 189 . 1 1 200 200 LYS N . . 51.95 0.60 . . . . . . . 5746 2 190 . 1 1 202 202 VAL N . . 55.43 0.59 . . . . . . . 5746 2 191 . 1 1 203 203 ALA N . . 50.76 0.61 . . . . . . . 5746 2 192 . 1 1 204 204 GLU N . . 55.73 0.59 . . . . . . . 5746 2 193 . 1 1 205 205 VAL N . . 52.45 0.60 . . . . . . . 5746 2 194 . 1 1 206 206 ARG N . . 51.63 0.60 . . . . . . . 5746 2 195 . 1 1 207 207 ALA N . . 51.68 0.61 . . . . . . . 5746 2 196 . 1 1 208 208 ASP N . . 53.47 0.60 . . . . . . . 5746 2 197 . 1 1 209 209 LEU N . . 52.48 0.60 . . . . . . . 5746 2 198 . 1 1 210 210 GLU N . . 52.63 0.59 . . . . . . . 5746 2 199 . 1 1 211 211 LYS N . . 54.63 0.59 . . . . . . . 5746 2 200 . 1 1 212 212 ILE N . . 55.90 0.59 . . . . . . . 5746 2 201 . 1 1 213 213 LEU N . . 55.35 0.59 . . . . . . . 5746 2 202 . 1 1 214 214 GLY N . . 71.88 0.99 . . . . . . . 5746 2 stop_ save_