data_19127 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19127 _Entry.Title ; The Dynamics of Lysozyme from Bacteriophage Lambda in Solution probed by NMR and MD simulations ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-28 _Entry.Accession_date 2013-03-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '15N relaxation data, residual dipolar couplings, spin-spin coupling constants for lysozyme from bacteriophage lambda' _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 Lorna Smith . J. . 19127 2 Alice Bowen . . . 19127 3 Alexandre DiPaolo . . . 19127 4 Andre Matagne . . . 19127 5 Christina Redfield . . . 19127 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 1 19127 heteronucl_NOEs 2 19127 heteronucl_T1_relaxation 2 19127 heteronucl_T2_relaxation 2 19127 RDCs 1 19127 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 104 19127 'heteronuclear NOE values' 256 19127 'residual dipolar couplings' 118 19127 'T1 relaxation values' 256 19127 'T2 relaxation values' 256 19127 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-10-29 2013-03-28 update BMRB 'update entry citation' 19127 1 . . 2013-08-15 2013-03-28 original author 'original release' 19127 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16664 'Backbone 1H, 13C, 15N resonance assignments for lysozyme from bacteriophage lambda' 19127 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19127 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23801644 _Citation.Full_citation . _Citation.Title 'The dynamics of lysozyme from bacteriophage lambda in solution probed by NMR and MD simulations.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume 14 _Citation.Journal_issue 14 _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 1780 _Citation.Page_last 1788 _Citation.Year 2013 _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 Lorna Smith . J. . 19127 1 2 Alice Bowen . M. . 19127 1 3 Alexandre 'Di Paolo' . . . 19127 1 4 Andre Matagne . . . 19127 1 5 Christina Redfield . . . 19127 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '15N relaxation' 19127 1 lysozyme 19127 1 'molecular dynamics' 19127 1 'NMR spectroscopy' 19127 1 'residual dipolar couplings' 19127 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19127 _Assembly.ID 1 _Assembly.Name 'lambda lysozyme' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 lambda_lysozyme 1 $lambda_lysozyme A . yes native no no . . 'lambda lysozyme is a monomeric protein composed of a single polypeptide chain' 19127 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 16664 . . 'solution NMR' . '1H, 13C, 15N assignments for this molecular assembly' . 19127 1 yes PDB 1AM7 . . X-ray 2.3 'TRP residues are replaced by NZ2-TRP (TRN)' 'Evrard et al. J. Mol. Biol. 276, 151-164 (1998). PUBMED 9514719' 19127 1 yes PDB 1D9U . . X-ray 2.6 'in complex with chitohexasaccharide' 'Leung et al. Biochemistry 40, 5665-5673 (2001). PUBMED 11341831' 19127 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Lysozyme hydrolyzes the -1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' 19127 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lambda_lysozyme _Entity.Sf_category entity _Entity.Sf_framecode lambda_lysozyme _Entity.Entry_ID 19127 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name lambda_lysozyme _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 ; MVEINNQRKAFLDMLAWSEG TDNGRQKTRNHGYDVIVGGE LFTDYSDHPRKLVTLNPKLK STGAGRYQLLSRWWDAYRKQ LGLKDFSPKSQDAVALQQIK ERGALPMIDRGDIRQAIDRC SNIWASLPGAGYGQFEHKAD SLIAKFKEAGGTVREIDV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.2.1.17 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16664 . lambda_lysozyme . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 19127 1 2 no PDB 1AM7 . "Lysozyme From Bacteriophage Lambda" . . . . . 100.00 158 97.47 97.47 7.41e-108 . . . . 19127 1 3 no PDB 1D9U . "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasacharide" . . . . . 97.47 154 100.00 100.00 2.81e-109 . . . . 19127 1 4 no PDB 3D3D . "Bacteriophage Lambda Lysozyme Complexed With A Chitohexasaccharide" . . . . . 97.47 154 100.00 100.00 2.81e-109 . . . . 19127 1 5 no DBJ BAI26565 . "putative endolysin [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 19127 1 6 no EMBL CAP75477 . "Lysin (EC 32117) [Escherichia coli LF82]" . . . . . 91.77 145 97.93 99.31 8.62e-100 . . . . 19127 1 7 no EMBL CAQ31245 . "enterobacteria phage lambda, endolysin [Escherichia coli BL21(DE3)]" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 19127 1 8 no EMBL CAR03799 . "Lysozyme (Muramidase) (Endolysin) [Escherichia coli S88]" . . . . . 100.00 158 98.10 99.37 1.92e-110 . . . . 19127 1 9 no EMBL CBG33651 . "phage endolysin [Escherichia coli 042]" . . . . . 100.00 158 98.10 99.37 5.34e-111 . . . . 19127 1 10 no EMBL CCK47619 . "lysozyme [Escherichia coli chi7122]" . . . . . 100.00 158 99.37 99.37 1.12e-111 . . . . 19127 1 11 no GB AAA96598 . "R (cell lysis;158) [Enterobacteria phage lambda]" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 19127 1 12 no GB AAF30387 . "lysin [Enterobacteria phage HK022]" . . . . . 100.00 158 98.10 98.73 2.47e-110 . . . . 19127 1 13 no GB AAF31145 . "lysin [Enterobacteria phage HK97]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 19127 1 14 no GB AAK28884 . "lysozyme [Salmonella phage HK620]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 19127 1 15 no GB AAQ12247 . "gene 62 protein [Shigella phage Sf6]" . . . . . 100.00 158 98.10 98.73 1.86e-110 . . . . 19127 1 16 no PRF 711077A . endolysin . . . . . 100.00 157 97.47 99.37 1.26e-108 . . . . 19127 1 17 no REF NP_037696 . "lysin [Enterobacteria phage HK022]" . . . . . 100.00 158 98.10 98.73 2.47e-110 . . . . 19127 1 18 no REF NP_037753 . "lysin [Enterobacteria phage HK97]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 19127 1 19 no REF NP_040645 . "endolysin [Enterobacteria phage lambda]" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 19127 1 20 no REF NP_112069 . "lysozyme [Enterobacteria phage HK620]" . . . . . 100.00 158 98.73 99.37 4.15e-111 . . . . 19127 1 21 no REF NP_958236 . "gene 62 protein [Enterobacteria phage Sf6]" . . . . . 100.00 158 98.10 98.73 1.86e-110 . . . . 19127 1 22 no SP P03706 . "RecName: Full=Endolysin; AltName: Full=Lysis protein; AltName: Full=Lysozyme; AltName: Full=Muramidase; AltName: Full=Transglyc" . . . . . 100.00 158 100.00 100.00 2.85e-112 . . . . 19127 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'lysozyme hydrolyzes the 1,4 linkages between N-acetylmuramic acid and N- acetylglucosamine' 19127 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 1 MET . 19127 1 2 2 VAL . 19127 1 3 3 GLU . 19127 1 4 4 ILE . 19127 1 5 5 ASN . 19127 1 6 6 ASN . 19127 1 7 7 GLN . 19127 1 8 8 ARG . 19127 1 9 9 LYS . 19127 1 10 10 ALA . 19127 1 11 11 PHE . 19127 1 12 12 LEU . 19127 1 13 13 ASP . 19127 1 14 14 MET . 19127 1 15 15 LEU . 19127 1 16 16 ALA . 19127 1 17 17 TRP . 19127 1 18 18 SER . 19127 1 19 19 GLU . 19127 1 20 20 GLY . 19127 1 21 21 THR . 19127 1 22 22 ASP . 19127 1 23 23 ASN . 19127 1 24 24 GLY . 19127 1 25 25 ARG . 19127 1 26 26 GLN . 19127 1 27 27 LYS . 19127 1 28 28 THR . 19127 1 29 29 ARG . 19127 1 30 30 ASN . 19127 1 31 31 HIS . 19127 1 32 32 GLY . 19127 1 33 33 TYR . 19127 1 34 34 ASP . 19127 1 35 35 VAL . 19127 1 36 36 ILE . 19127 1 37 37 VAL . 19127 1 38 38 GLY . 19127 1 39 39 GLY . 19127 1 40 40 GLU . 19127 1 41 41 LEU . 19127 1 42 42 PHE . 19127 1 43 43 THR . 19127 1 44 44 ASP . 19127 1 45 45 TYR . 19127 1 46 46 SER . 19127 1 47 47 ASP . 19127 1 48 48 HIS . 19127 1 49 49 PRO . 19127 1 50 50 ARG . 19127 1 51 51 LYS . 19127 1 52 52 LEU . 19127 1 53 53 VAL . 19127 1 54 54 THR . 19127 1 55 55 LEU . 19127 1 56 56 ASN . 19127 1 57 57 PRO . 19127 1 58 58 LYS . 19127 1 59 59 LEU . 19127 1 60 60 LYS . 19127 1 61 61 SER . 19127 1 62 62 THR . 19127 1 63 63 GLY . 19127 1 64 64 ALA . 19127 1 65 65 GLY . 19127 1 66 66 ARG . 19127 1 67 67 TYR . 19127 1 68 68 GLN . 19127 1 69 69 LEU . 19127 1 70 70 LEU . 19127 1 71 71 SER . 19127 1 72 72 ARG . 19127 1 73 73 TRP . 19127 1 74 74 TRP . 19127 1 75 75 ASP . 19127 1 76 76 ALA . 19127 1 77 77 TYR . 19127 1 78 78 ARG . 19127 1 79 79 LYS . 19127 1 80 80 GLN . 19127 1 81 81 LEU . 19127 1 82 82 GLY . 19127 1 83 83 LEU . 19127 1 84 84 LYS . 19127 1 85 85 ASP . 19127 1 86 86 PHE . 19127 1 87 87 SER . 19127 1 88 88 PRO . 19127 1 89 89 LYS . 19127 1 90 90 SER . 19127 1 91 91 GLN . 19127 1 92 92 ASP . 19127 1 93 93 ALA . 19127 1 94 94 VAL . 19127 1 95 95 ALA . 19127 1 96 96 LEU . 19127 1 97 97 GLN . 19127 1 98 98 GLN . 19127 1 99 99 ILE . 19127 1 100 100 LYS . 19127 1 101 101 GLU . 19127 1 102 102 ARG . 19127 1 103 103 GLY . 19127 1 104 104 ALA . 19127 1 105 105 LEU . 19127 1 106 106 PRO . 19127 1 107 107 MET . 19127 1 108 108 ILE . 19127 1 109 109 ASP . 19127 1 110 110 ARG . 19127 1 111 111 GLY . 19127 1 112 112 ASP . 19127 1 113 113 ILE . 19127 1 114 114 ARG . 19127 1 115 115 GLN . 19127 1 116 116 ALA . 19127 1 117 117 ILE . 19127 1 118 118 ASP . 19127 1 119 119 ARG . 19127 1 120 120 CYS . 19127 1 121 121 SER . 19127 1 122 122 ASN . 19127 1 123 123 ILE . 19127 1 124 124 TRP . 19127 1 125 125 ALA . 19127 1 126 126 SER . 19127 1 127 127 LEU . 19127 1 128 128 PRO . 19127 1 129 129 GLY . 19127 1 130 130 ALA . 19127 1 131 131 GLY . 19127 1 132 132 TYR . 19127 1 133 133 GLY . 19127 1 134 134 GLN . 19127 1 135 135 PHE . 19127 1 136 136 GLU . 19127 1 137 137 HIS . 19127 1 138 138 LYS . 19127 1 139 139 ALA . 19127 1 140 140 ASP . 19127 1 141 141 SER . 19127 1 142 142 LEU . 19127 1 143 143 ILE . 19127 1 144 144 ALA . 19127 1 145 145 LYS . 19127 1 146 146 PHE . 19127 1 147 147 LYS . 19127 1 148 148 GLU . 19127 1 149 149 ALA . 19127 1 150 150 GLY . 19127 1 151 151 GLY . 19127 1 152 152 THR . 19127 1 153 153 VAL . 19127 1 154 154 ARG . 19127 1 155 155 GLU . 19127 1 156 156 ILE . 19127 1 157 157 ASP . 19127 1 158 158 VAL . 19127 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 19127 1 . VAL 2 2 19127 1 . GLU 3 3 19127 1 . ILE 4 4 19127 1 . ASN 5 5 19127 1 . ASN 6 6 19127 1 . GLN 7 7 19127 1 . ARG 8 8 19127 1 . LYS 9 9 19127 1 . ALA 10 10 19127 1 . PHE 11 11 19127 1 . LEU 12 12 19127 1 . ASP 13 13 19127 1 . MET 14 14 19127 1 . LEU 15 15 19127 1 . ALA 16 16 19127 1 . TRP 17 17 19127 1 . SER 18 18 19127 1 . GLU 19 19 19127 1 . GLY 20 20 19127 1 . THR 21 21 19127 1 . ASP 22 22 19127 1 . ASN 23 23 19127 1 . GLY 24 24 19127 1 . ARG 25 25 19127 1 . GLN 26 26 19127 1 . LYS 27 27 19127 1 . THR 28 28 19127 1 . ARG 29 29 19127 1 . ASN 30 30 19127 1 . HIS 31 31 19127 1 . GLY 32 32 19127 1 . TYR 33 33 19127 1 . ASP 34 34 19127 1 . VAL 35 35 19127 1 . ILE 36 36 19127 1 . VAL 37 37 19127 1 . GLY 38 38 19127 1 . GLY 39 39 19127 1 . GLU 40 40 19127 1 . LEU 41 41 19127 1 . PHE 42 42 19127 1 . THR 43 43 19127 1 . ASP 44 44 19127 1 . TYR 45 45 19127 1 . SER 46 46 19127 1 . ASP 47 47 19127 1 . HIS 48 48 19127 1 . PRO 49 49 19127 1 . ARG 50 50 19127 1 . LYS 51 51 19127 1 . LEU 52 52 19127 1 . VAL 53 53 19127 1 . THR 54 54 19127 1 . LEU 55 55 19127 1 . ASN 56 56 19127 1 . PRO 57 57 19127 1 . LYS 58 58 19127 1 . LEU 59 59 19127 1 . LYS 60 60 19127 1 . SER 61 61 19127 1 . THR 62 62 19127 1 . GLY 63 63 19127 1 . ALA 64 64 19127 1 . GLY 65 65 19127 1 . ARG 66 66 19127 1 . TYR 67 67 19127 1 . GLN 68 68 19127 1 . LEU 69 69 19127 1 . LEU 70 70 19127 1 . SER 71 71 19127 1 . ARG 72 72 19127 1 . TRP 73 73 19127 1 . TRP 74 74 19127 1 . ASP 75 75 19127 1 . ALA 76 76 19127 1 . TYR 77 77 19127 1 . ARG 78 78 19127 1 . LYS 79 79 19127 1 . GLN 80 80 19127 1 . LEU 81 81 19127 1 . GLY 82 82 19127 1 . LEU 83 83 19127 1 . LYS 84 84 19127 1 . ASP 85 85 19127 1 . PHE 86 86 19127 1 . SER 87 87 19127 1 . PRO 88 88 19127 1 . LYS 89 89 19127 1 . SER 90 90 19127 1 . GLN 91 91 19127 1 . ASP 92 92 19127 1 . ALA 93 93 19127 1 . VAL 94 94 19127 1 . ALA 95 95 19127 1 . LEU 96 96 19127 1 . GLN 97 97 19127 1 . GLN 98 98 19127 1 . ILE 99 99 19127 1 . LYS 100 100 19127 1 . GLU 101 101 19127 1 . ARG 102 102 19127 1 . GLY 103 103 19127 1 . ALA 104 104 19127 1 . LEU 105 105 19127 1 . PRO 106 106 19127 1 . MET 107 107 19127 1 . ILE 108 108 19127 1 . ASP 109 109 19127 1 . ARG 110 110 19127 1 . GLY 111 111 19127 1 . ASP 112 112 19127 1 . ILE 113 113 19127 1 . ARG 114 114 19127 1 . GLN 115 115 19127 1 . ALA 116 116 19127 1 . ILE 117 117 19127 1 . ASP 118 118 19127 1 . ARG 119 119 19127 1 . CYS 120 120 19127 1 . SER 121 121 19127 1 . ASN 122 122 19127 1 . ILE 123 123 19127 1 . TRP 124 124 19127 1 . ALA 125 125 19127 1 . SER 126 126 19127 1 . LEU 127 127 19127 1 . PRO 128 128 19127 1 . GLY 129 129 19127 1 . ALA 130 130 19127 1 . GLY 131 131 19127 1 . TYR 132 132 19127 1 . GLY 133 133 19127 1 . GLN 134 134 19127 1 . PHE 135 135 19127 1 . GLU 136 136 19127 1 . HIS 137 137 19127 1 . LYS 138 138 19127 1 . ALA 139 139 19127 1 . ASP 140 140 19127 1 . SER 141 141 19127 1 . LEU 142 142 19127 1 . ILE 143 143 19127 1 . ALA 144 144 19127 1 . LYS 145 145 19127 1 . PHE 146 146 19127 1 . LYS 147 147 19127 1 . GLU 148 148 19127 1 . ALA 149 149 19127 1 . GLY 150 150 19127 1 . GLY 151 151 19127 1 . THR 152 152 19127 1 . VAL 153 153 19127 1 . ARG 154 154 19127 1 . GLU 155 155 19127 1 . ILE 156 156 19127 1 . ASP 157 157 19127 1 . VAL 158 158 19127 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19127 _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 $lambda_lysozyme . 10710 organism . 'Enterobacteria phage lambda' 'Bacteriophage lambda' . . Viruses . Lambdalikevirus 'Enterobacteria phage lambda' . . . . . . . . . . . . . . . . . . . . . 19127 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 19127 _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 $lambda_lysozyme . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli BL21(DE3)' . . . . . . . . . . . . . . . pET22b . . . . . . 19127 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19127 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lambda_lysozyme 'natural abundance' . . 1 $lambda_lysozyme . . 0 . . mM . . . . 19127 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19127 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19127 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19127 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 lambda_lysozyme 'natural abundance' . . 1 $lambda_lysozyme . . 0 . . mM . . . . 19127 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19127 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19127 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19127 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19127 1 pH 5.45 . pH 19127 1 pressure 1 . atm 19127 1 temperature 293 . K 19127 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19127 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19127 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model home-built _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19127 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 home-built home-built . 500 . . . 19127 1 2 spectrometer_2 home-built home-built . 750 . . . 19127 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 19127 _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 '2D 1H-15N HMQC-J' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19127 1 2 '2D 15N T1 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19127 1 3 '2D 15N T1 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19127 1 4 '2D 15N T2 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19127 1 5 '2D 15N T2 measurement' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19127 1 6 '2D {1H}-15N heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19127 1 7 '2D {1H}-15N heteronuclear NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19127 1 8 '2D 1H-15N IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19127 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 19127 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 750 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '2D 1H-15N HMQC-J' . . . 19127 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 GLU H H 1 1 . . 1 3 3 GLU HA H 1 1 5.34 4.84 5.84 0.50 . . . 3 GLU H . 3 GLU HA . 19127 1 2 3JHNHA . 1 1 4 4 ILE H H 1 1 . . 1 4 4 ILE HA H 1 1 6.28 5.78 6.78 0.50 . . . 4 ILE H . 4 ILE HA . 19127 1 3 3JHNHA . 1 1 6 6 ASN H H 1 1 . . 1 6 6 ASN HA H 1 1 3.95 3.45 4.45 0.50 . . . 6 ASN H . 6 ASN HA . 19127 1 4 3JHNHA . 1 1 7 7 GLN H H 1 1 . . 1 7 7 GLN HA H 1 1 5.17 4.67 5.67 0.50 . . . 7 GLN H . 7 GLN HA . 19127 1 5 3JHNHA . 1 1 8 8 ARG H H 1 1 . . 1 8 8 ARG HA H 1 1 4.75 4.25 5.25 0.50 . . . 8 ARG H . 8 ARG HA . 19127 1 6 3JHNHA . 1 1 9 9 LYS H H 1 1 . . 1 9 9 LYS HA H 1 1 3.82 3.32 4.32 0.50 . . . 9 LYS H . 9 LYS HA . 19127 1 7 3JHNHA . 1 1 10 10 ALA H H 1 1 . . 1 10 10 ALA HA H 1 1 3.47 2.97 3.97 0.50 . . . 10 ALA H . 10 ALA HA . 19127 1 8 3JHNHA . 1 1 11 11 PHE H H 1 1 . . 1 11 11 PHE HA H 1 1 4.00 3.50 4.50 0.50 . . . 11 PHE H . 11 PHE HA . 19127 1 9 3JHNHA . 1 1 12 12 LEU H H 1 1 . . 1 12 12 LEU HA H 1 1 4.15 3.65 4.65 0.50 . . . 12 LEU H . 12 LEU HA . 19127 1 10 3JHNHA . 1 1 14 14 MET H H 1 1 . . 1 14 14 MET HA H 1 1 3.74 3.24 4.24 0.50 . . . 14 MET H . 14 MET HA . 19127 1 11 3JHNHA . 1 1 15 15 LEU H H 1 1 . . 1 15 15 LEU HA H 1 1 3.72 3.22 4.22 0.50 . . . 15 LEU H . 15 LEU HA . 19127 1 12 3JHNHA . 1 1 16 16 ALA H H 1 1 . . 1 16 16 ALA HA H 1 1 4.09 3.59 4.59 0.50 . . . 16 ALA H . 16 ALA HA . 19127 1 13 3JHNHA . 1 1 17 17 TRP H H 1 1 . . 1 17 17 TRP HA H 1 1 4.68 4.18 5.18 0.50 . . . 17 TRP H . 17 TRP HA . 19127 1 14 3JHNHA . 1 1 19 19 GLU H H 1 1 . . 1 19 19 GLU HA H 1 1 4.64 4.14 5.14 0.50 . . . 19 GLU H . 19 GLU HA . 19127 1 15 3JHNHA . 1 1 21 21 THR H H 1 1 . . 1 21 21 THR HA H 1 1 8.39 7.89 8.89 0.50 . . . 21 THR H . 21 THR HA . 19127 1 16 3JHNHA . 1 1 22 22 ASP H H 1 1 . . 1 22 22 ASP HA H 1 1 9.90 9.40 10.40 0.50 . . . 22 ASP H . 22 ASP HA . 19127 1 17 3JHNHA . 1 1 25 25 ARG H H 1 1 . . 1 25 25 ARG HA H 1 1 9.89 9.39 10.39 0.50 . . . 25 ARG H . 25 ARG HA . 19127 1 18 3JHNHA . 1 1 26 26 GLN H H 1 1 . . 1 26 26 GLN HA H 1 1 3.83 3.33 4.33 0.50 . . . 26 GLN H . 26 GLN HA . 19127 1 19 3JHNHA . 1 1 27 27 LYS H H 1 1 . . 1 27 27 LYS HA H 1 1 2.78 2.28 3.28 0.50 . . . 27 LYS H . 27 LYS HA . 19127 1 20 3JHNHA . 1 1 28 28 THR H H 1 1 . . 1 28 28 THR HA H 1 1 5.17 4.67 5.67 0.50 . . . 28 THR H . 28 THR HA . 19127 1 21 3JHNHA . 1 1 29 29 ARG H H 1 1 . . 1 29 29 ARG HA H 1 1 7.96 7.46 8.46 0.50 . . . 29 ARG H . 29 ARG HA . 19127 1 22 3JHNHA . 1 1 30 30 ASN H H 1 1 . . 1 30 30 ASN HA H 1 1 6.50 6.00 7.00 0.50 . . . 30 ASN H . 30 ASN HA . 19127 1 23 3JHNHA . 1 1 31 31 HIS H H 1 1 . . 1 31 31 HIS HA H 1 1 5.60 5.10 6.10 0.50 . . . 31 HIS H . 31 HIS HA . 19127 1 24 3JHNHA . 1 1 35 35 VAL H H 1 1 . . 1 35 35 VAL HA H 1 1 5.18 4.68 5.68 0.50 . . . 35 VAL H . 35 VAL HA . 19127 1 25 3JHNHA . 1 1 36 36 ILE H H 1 1 . . 1 36 36 ILE HA H 1 1 6.06 5.56 6.56 0.50 . . . 36 ILE H . 36 ILE HA . 19127 1 26 3JHNHA . 1 1 37 37 VAL H H 1 1 . . 1 37 37 VAL HA H 1 1 1.79 1.29 2.29 0.50 . . . 37 VAL H . 37 VAL HA . 19127 1 27 3JHNHA . 1 1 40 40 GLU H H 1 1 . . 1 40 40 GLU HA H 1 1 5.91 5.41 6.41 0.50 . . . 40 GLU H . 40 GLU HA . 19127 1 28 3JHNHA . 1 1 42 42 PHE H H 1 1 . . 1 42 42 PHE HA H 1 1 8.38 7.88 8.88 0.50 . . . 42 PHE H . 42 PHE HA . 19127 1 29 3JHNHA . 1 1 43 43 THR H H 1 1 . . 1 43 43 THR HA H 1 1 9.40 8.90 9.90 0.50 . . . 43 THR H . 43 THR HA . 19127 1 30 3JHNHA . 1 1 44 44 ASP H H 1 1 . . 1 44 44 ASP HA H 1 1 7.35 6.85 7.85 0.50 . . . 44 ASP H . 44 ASP HA . 19127 1 31 3JHNHA . 1 1 45 45 TYR H H 1 1 . . 1 45 45 TYR HA H 1 1 7.48 6.98 7.98 0.50 . . . 45 TYR H . 45 TYR HA . 19127 1 32 3JHNHA . 1 1 46 46 SER H H 1 1 . . 1 46 46 SER HA H 1 1 3.31 2.81 3.81 0.50 . . . 46 SER H . 46 SER HA . 19127 1 33 3JHNHA . 1 1 47 47 ASP H H 1 1 . . 1 47 47 ASP HA H 1 1 5.73 5.23 6.23 0.50 . . . 47 ASP H . 47 ASP HA . 19127 1 34 3JHNHA . 1 1 51 51 LYS H H 1 1 . . 1 51 51 LYS HA H 1 1 7.56 7.06 8.06 0.50 . . . 51 LYS H . 51 LYS HA . 19127 1 35 3JHNHA . 1 1 52 52 LEU H H 1 1 . . 1 52 52 LEU HA H 1 1 6.21 5.71 6.71 0.50 . . . 52 LEU H . 52 LEU HA . 19127 1 36 3JHNHA . 1 1 54 54 THR H H 1 1 . . 1 54 54 THR HA H 1 1 7.05 6.55 7.55 0.50 . . . 54 THR H . 54 THR HA . 19127 1 37 3JHNHA . 1 1 55 55 LEU H H 1 1 . . 1 55 55 LEU HA H 1 1 7.50 7.00 8.00 0.50 . . . 55 LEU H . 55 LEU HA . 19127 1 38 3JHNHA . 1 1 58 58 LYS H H 1 1 . . 1 58 58 LYS HA H 1 1 9.38 8.88 9.88 0.50 . . . 58 LYS H . 58 LYS HA . 19127 1 39 3JHNHA . 1 1 59 59 LEU H H 1 1 . . 1 59 59 LEU HA H 1 1 8.18 7.68 8.68 0.50 . . . 59 LEU H . 59 LEU HA . 19127 1 40 3JHNHA . 1 1 60 60 LYS H H 1 1 . . 1 60 60 LYS HA H 1 1 8.57 8.07 9.07 0.50 . . . 60 LYS H . 60 LYS HA . 19127 1 41 3JHNHA . 1 1 64 64 ALA H H 1 1 . . 1 64 64 ALA HA H 1 1 7.69 7.19 8.19 0.50 . . . 64 ALA H . 64 ALA HA . 19127 1 42 3JHNHA . 1 1 66 66 ARG H H 1 1 . . 1 66 66 ARG HA H 1 1 6.24 5.74 6.74 0.50 . . . 66 ARG H . 66 ARG HA . 19127 1 43 3JHNHA . 1 1 70 70 LEU H H 1 1 . . 1 70 70 LEU HA H 1 1 6.16 5.66 6.66 0.50 . . . 70 LEU H . 70 LEU HA . 19127 1 44 3JHNHA . 1 1 71 71 SER H H 1 1 . . 1 71 71 SER HA H 1 1 2.99 2.49 3.49 0.50 . . . 71 SER H . 71 SER HA . 19127 1 45 3JHNHA . 1 1 72 72 ARG H H 1 1 . . 1 72 72 ARG HA H 1 1 3.08 2.58 3.58 0.50 . . . 72 ARG H . 72 ARG HA . 19127 1 46 3JHNHA . 1 1 73 73 TRP H H 1 1 . . 1 73 73 TRP HA H 1 1 7.03 6.53 7.53 0.50 . . . 73 TRP H . 73 TRP HA . 19127 1 47 3JHNHA . 1 1 74 74 TRP H H 1 1 . . 1 74 74 TRP HA H 1 1 3.37 2.87 3.87 0.50 . . . 74 TRP H . 74 TRP HA . 19127 1 48 3JHNHA . 1 1 75 75 ASP H H 1 1 . . 1 75 75 ASP HA H 1 1 3.43 2.93 3.93 0.50 . . . 75 ASP H . 75 ASP HA . 19127 1 49 3JHNHA . 1 1 76 76 ALA H H 1 1 . . 1 76 76 ALA HA H 1 1 5.34 4.84 5.84 0.50 . . . 76 ALA H . 76 ALA HA . 19127 1 50 3JHNHA . 1 1 78 78 ARG H H 1 1 . . 1 78 78 ARG HA H 1 1 3.77 3.27 4.27 0.50 . . . 78 ARG H . 78 ARG HA . 19127 1 51 3JHNHA . 1 1 79 79 LYS H H 1 1 . . 1 79 79 LYS HA H 1 1 5.82 5.32 6.32 0.50 . . . 79 LYS H . 79 LYS HA . 19127 1 52 3JHNHA . 1 1 81 81 LEU H H 1 1 . . 1 81 81 LEU HA H 1 1 6.97 6.47 7.47 0.50 . . . 81 LEU H . 81 LEU HA . 19127 1 53 3JHNHA . 1 1 83 83 LEU H H 1 1 . . 1 83 83 LEU HA H 1 1 6.81 6.31 7.31 0.50 . . . 83 LEU H . 83 LEU HA . 19127 1 54 3JHNHA . 1 1 84 84 LYS H H 1 1 . . 1 84 84 LYS HA H 1 1 7.76 7.26 8.26 0.50 . . . 84 LYS H . 84 LYS HA . 19127 1 55 3JHNHA . 1 1 85 85 ASP H H 1 1 . . 1 85 85 ASP HA H 1 1 5.81 5.31 6.31 0.50 . . . 85 ASP H . 85 ASP HA . 19127 1 56 3JHNHA . 1 1 87 87 SER H H 1 1 . . 1 87 87 SER HA H 1 1 4.79 4.29 5.29 0.50 . . . 87 SER H . 87 SER HA . 19127 1 57 3JHNHA . 1 1 89 89 LYS H H 1 1 . . 1 89 89 LYS HA H 1 1 4.59 4.09 5.09 0.50 . . . 89 LYS H . 89 LYS HA . 19127 1 58 3JHNHA . 1 1 90 90 SER H H 1 1 . . 1 90 90 SER HA H 1 1 4.79 4.29 5.29 0.50 . . . 90 SER H . 90 SER HA . 19127 1 59 3JHNHA . 1 1 92 92 ASP H H 1 1 . . 1 92 92 ASP HA H 1 1 2.78 2.28 3.28 0.50 . . . 92 ASP H . 92 ASP HA . 19127 1 60 3JHNHA . 1 1 93 93 ALA H H 1 1 . . 1 93 93 ALA HA H 1 1 3.19 2.69 3.69 0.50 . . . 93 ALA H . 93 ALA HA . 19127 1 61 3JHNHA . 1 1 95 95 ALA H H 1 1 . . 1 95 95 ALA HA H 1 1 4.31 3.81 4.81 0.50 . . . 95 ALA H . 95 ALA HA . 19127 1 62 3JHNHA . 1 1 96 96 LEU H H 1 1 . . 1 96 96 LEU HA H 1 1 3.42 2.92 3.92 0.50 . . . 96 LEU H . 96 LEU HA . 19127 1 63 3JHNHA . 1 1 97 97 GLN H H 1 1 . . 1 97 97 GLN HA H 1 1 4.29 3.79 4.79 0.50 . . . 97 GLN H . 97 GLN HA . 19127 1 64 3JHNHA . 1 1 98 98 GLN H H 1 1 . . 1 98 98 GLN HA H 1 1 4.15 3.65 4.65 0.50 . . . 98 GLN H . 98 GLN HA . 19127 1 65 3JHNHA . 1 1 99 99 ILE H H 1 1 . . 1 99 99 ILE HA H 1 1 3.30 2.80 3.80 0.50 . . . 99 ILE H . 99 ILE HA . 19127 1 66 3JHNHA . 1 1 101 101 GLU H H 1 1 . . 1 101 101 GLU HA H 1 1 3.99 3.49 4.49 0.50 . . . 101 GLU H . 101 GLU HA . 19127 1 67 3JHNHA . 1 1 102 102 ARG H H 1 1 . . 1 102 102 ARG HA H 1 1 6.82 6.32 7.32 0.50 . . . 102 ARG H . 102 ARG HA . 19127 1 68 3JHNHA . 1 1 104 104 ALA H H 1 1 . . 1 104 104 ALA HA H 1 1 7.13 6.63 7.63 0.50 . . . 104 ALA H . 104 ALA HA . 19127 1 69 3JHNHA . 1 1 105 105 LEU H H 1 1 . . 1 105 105 LEU HA H 1 1 4.53 4.03 5.03 0.50 . . . 105 LEU H . 105 LEU HA . 19127 1 70 3JHNHA . 1 1 107 107 MET H H 1 1 . . 1 107 107 MET HA H 1 1 5.63 5.13 6.13 0.50 . . . 107 MET H . 107 MET HA . 19127 1 71 3JHNHA . 1 1 108 108 ILE H H 1 1 . . 1 108 108 ILE HA H 1 1 5.21 4.71 5.71 0.50 . . . 108 ILE H . 108 ILE HA . 19127 1 72 3JHNHA . 1 1 109 109 ASP H H 1 1 . . 1 109 109 ASP HA H 1 1 3.60 3.10 4.10 0.50 . . . 109 ASP H . 109 ASP HA . 19127 1 73 3JHNHA . 1 1 110 110 ARG H H 1 1 . . 1 110 110 ARG HA H 1 1 7.45 6.95 7.95 0.50 . . . 110 ARG H . 110 ARG HA . 19127 1 74 3JHNHA . 1 1 112 112 ASP H H 1 1 . . 1 112 112 ASP HA H 1 1 7.98 7.48 8.48 0.50 . . . 112 ASP H . 112 ASP HA . 19127 1 75 3JHNHA . 1 1 113 113 ILE H H 1 1 . . 1 113 113 ILE HA H 1 1 5.05 4.55 5.55 0.50 . . . 113 ILE H . 113 ILE HA . 19127 1 76 3JHNHA . 1 1 115 115 GLN H H 1 1 . . 1 115 115 GLN HA H 1 1 4.50 4.00 5.00 0.50 . . . 115 GLN H . 115 GLN HA . 19127 1 77 3JHNHA . 1 1 116 116 ALA H H 1 1 . . 1 116 116 ALA HA H 1 1 3.83 3.33 4.33 0.50 . . . 116 ALA H . 116 ALA HA . 19127 1 78 3JHNHA . 1 1 118 118 ASP H H 1 1 . . 1 118 118 ASP HA H 1 1 3.92 3.42 4.42 0.50 . . . 118 ASP H . 118 ASP HA . 19127 1 79 3JHNHA . 1 1 119 119 ARG H H 1 1 . . 1 119 119 ARG HA H 1 1 5.38 4.88 5.88 0.50 . . . 119 ARG H . 119 ARG HA . 19127 1 80 3JHNHA . 1 1 120 120 CYS H H 1 1 . . 1 120 120 CYS HA H 1 1 7.18 6.68 7.68 0.50 . . . 120 CYS H . 120 CYS HA . 19127 1 81 3JHNHA . 1 1 121 121 SER H H 1 1 . . 1 121 121 SER HA H 1 1 3.96 3.46 4.46 0.50 . . . 121 SER H . 121 SER HA . 19127 1 82 3JHNHA . 1 1 122 122 ASN H H 1 1 . . 1 122 122 ASN HA H 1 1 6.17 5.67 6.67 0.50 . . . 122 ASN H . 122 ASN HA . 19127 1 83 3JHNHA . 1 1 126 126 SER H H 1 1 . . 1 126 126 SER HA H 1 1 6.62 6.12 7.12 0.50 . . . 126 SER H . 126 SER HA . 19127 1 84 3JHNHA . 1 1 127 127 LEU H H 1 1 . . 1 127 127 LEU HA H 1 1 3.91 3.41 4.41 0.50 . . . 127 LEU H . 127 LEU HA . 19127 1 85 3JHNHA . 1 1 132 132 TYR H H 1 1 . . 1 132 132 TYR HA H 1 1 7.30 6.80 7.80 0.50 . . . 132 TYR H . 132 TYR HA . 19127 1 86 3JHNHA . 1 1 134 134 GLN H H 1 1 . . 1 134 134 GLN HA H 1 1 8.50 8.00 9.00 0.50 . . . 134 GLN H . 134 GLN HA . 19127 1 87 3JHNHA . 1 1 135 135 PHE H H 1 1 . . 1 135 135 PHE HA H 1 1 4.78 4.28 5.28 0.50 . . . 135 PHE H . 135 PHE HA . 19127 1 88 3JHNHA . 1 1 137 137 HIS H H 1 1 . . 1 137 137 HIS HA H 1 1 6.09 5.59 6.59 0.50 . . . 137 HIS H . 137 HIS HA . 19127 1 89 3JHNHA . 1 1 138 138 LYS H H 1 1 . . 1 138 138 LYS HA H 1 1 5.41 4.91 5.91 0.50 . . . 138 LYS H . 138 LYS HA . 19127 1 90 3JHNHA . 1 1 141 141 SER H H 1 1 . . 1 141 141 SER HA H 1 1 5.94 5.44 6.44 0.50 . . . 141 SER H . 141 SER HA . 19127 1 91 3JHNHA . 1 1 142 142 LEU H H 1 1 . . 1 142 142 LEU HA H 1 1 5.05 4.55 5.55 0.50 . . . 142 LEU H . 142 LEU HA . 19127 1 92 3JHNHA . 1 1 144 144 ALA H H 1 1 . . 1 144 144 ALA HA H 1 1 4.03 3.53 4.53 0.50 . . . 144 ALA H . 144 ALA HA . 19127 1 93 3JHNHA . 1 1 145 145 LYS H H 1 1 . . 1 145 145 LYS HA H 1 1 4.05 3.55 4.55 0.50 . . . 145 LYS H . 145 LYS HA . 19127 1 94 3JHNHA . 1 1 146 146 PHE H H 1 1 . . 1 146 146 PHE HA H 1 1 4.58 4.08 5.08 0.50 . . . 146 PHE H . 146 PHE HA . 19127 1 95 3JHNHA . 1 1 147 147 LYS H H 1 1 . . 1 147 147 LYS HA H 1 1 4.78 4.28 5.28 0.50 . . . 147 LYS H . 147 LYS HA . 19127 1 96 3JHNHA . 1 1 148 148 GLU H H 1 1 . . 1 148 148 GLU HA H 1 1 3.59 3.09 4.09 0.50 . . . 148 GLU H . 148 GLU HA . 19127 1 97 3JHNHA . 1 1 149 149 ALA H H 1 1 . . 1 149 149 ALA HA H 1 1 6.15 5.65 6.65 0.50 . . . 149 ALA H . 149 ALA HA . 19127 1 98 3JHNHA . 1 1 152 152 THR H H 1 1 . . 1 152 152 THR HA H 1 1 8.48 7.98 8.98 0.50 . . . 152 THR H . 152 THR HA . 19127 1 99 3JHNHA . 1 1 153 153 VAL H H 1 1 . . 1 153 153 VAL HA H 1 1 8.75 8.25 9.25 0.50 . . . 153 VAL H . 153 VAL HA . 19127 1 100 3JHNHA . 1 1 154 154 ARG H H 1 1 . . 1 154 154 ARG HA H 1 1 6.73 6.23 7.23 0.50 . . . 154 ARG H . 154 ARG HA . 19127 1 101 3JHNHA . 1 1 155 155 GLU H H 1 1 . . 1 155 155 GLU HA H 1 1 7.12 6.62 7.62 0.50 . . . 155 GLU H . 155 GLU HA . 19127 1 102 3JHNHA . 1 1 156 156 ILE H H 1 1 . . 1 156 156 ILE HA H 1 1 7.60 7.10 8.10 0.50 . . . 156 ILE H . 156 ILE HA . 19127 1 103 3JHNHA . 1 1 157 157 ASP H H 1 1 . . 1 157 157 ASP HA H 1 1 7.24 6.74 7.74 0.50 . . . 157 ASP H . 157 ASP HA . 19127 1 104 3JHNHA . 1 1 158 158 VAL H H 1 1 . . 1 158 158 VAL HA H 1 1 8.57 8.07 9.07 0.50 . . . 158 VAL H . 158 VAL HA . 19127 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 19127 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 750 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 8 '2D 1H-15N IPAP' . . . 19127 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 3 3 GLU N N 15 . . 1 1 3 3 GLU H H 1 . -5.320 . . 1.000 1.00 . . . 3 GLU N . 3 GLU H 19127 1 2 DHN . 1 1 4 4 ILE N N 15 . . 1 1 4 4 ILE H H 1 . 0.304 . . 1.000 1.00 . . . 4 ILE N . 4 ILE H 19127 1 3 DHN . 1 1 5 5 ASN N N 15 . . 1 1 5 5 ASN H H 1 . -5.852 . . 1.000 1.00 . . . 5 ASN N . 5 ASN H 19127 1 4 DHN . 1 1 6 6 ASN N N 15 . . 1 1 6 6 ASN H H 1 . 8.740 . . 1.000 1.00 . . . 6 ASN N . 6 ASN H 19127 1 5 DHN . 1 1 8 8 ARG N N 15 . . 1 1 8 8 ARG H H 1 . -2.888 . . 1.000 1.00 . . . 8 ARG N . 8 ARG H 19127 1 6 DHN . 1 1 9 9 LYS N N 15 . . 1 1 9 9 LYS H H 1 . 7.220 . . 1.000 1.00 . . . 9 LYS N . 9 LYS H 19127 1 7 DHN . 1 1 10 10 ALA N N 15 . . 1 1 10 10 ALA H H 1 . 13.984 . . 1.000 1.00 . . . 10 ALA N . 10 ALA H 19127 1 8 DHN . 1 1 11 11 PHE N N 15 . . 1 1 11 11 PHE H H 1 . -2.888 . . 1.000 1.00 . . . 11 PHE N . 11 PHE H 19127 1 9 DHN . 1 1 12 12 LEU N N 15 . . 1 1 12 12 LEU H H 1 . 2.584 . . 1.000 1.00 . . . 12 LEU N . 12 LEU H 19127 1 10 DHN . 1 1 14 14 MET N N 15 . . 1 1 14 14 MET H H 1 . 4.028 . . 1.000 1.00 . . . 14 MET N . 14 MET H 19127 1 11 DHN . 1 1 15 15 LEU N N 15 . . 1 1 15 15 LEU H H 1 . -1.596 . . 1.000 1.00 . . . 15 LEU N . 15 LEU H 19127 1 12 DHN . 1 1 17 17 TRP N N 15 . . 1 1 17 17 TRP H H 1 . 12.616 . . 1.000 1.00 . . . 17 TRP N . 17 TRP H 19127 1 13 DHN . 1 1 19 19 GLU N N 15 . . 1 1 19 19 GLU H H 1 . -0.836 . . 1.000 1.00 . . . 19 GLU N . 19 GLU H 19127 1 14 DHN . 1 1 20 20 GLY N N 15 . . 1 1 20 20 GLY H H 1 . 34.200 . . 1.000 1.00 . . . 20 GLY N . 20 GLY H 19127 1 15 DHN . 1 1 21 21 THR N N 15 . . 1 1 21 21 THR H H 1 . 6.156 . . 1.000 1.00 . . . 21 THR N . 21 THR H 19127 1 16 DHN . 1 1 22 22 ASP N N 15 . . 1 1 22 22 ASP H H 1 . -14.744 . . 1.000 1.00 . . . 22 ASP N . 22 ASP H 19127 1 17 DHN . 1 1 24 24 GLY N N 15 . . 1 1 24 24 GLY H H 1 . 3.724 . . 1.000 1.00 . . . 24 GLY N . 24 GLY H 19127 1 18 DHN . 1 1 25 25 ARG N N 15 . . 1 1 25 25 ARG H H 1 . -21.128 . . 1.000 1.00 . . . 25 ARG N . 25 ARG H 19127 1 19 DHN . 1 1 26 26 GLN N N 15 . . 1 1 26 26 GLN H H 1 . 12.388 . . 1.000 1.00 . . . 26 GLN N . 26 GLN H 19127 1 20 DHN . 1 1 27 27 LYS N N 15 . . 1 1 27 27 LYS H H 1 . 4.560 . . 1.000 1.00 . . . 27 LYS N . 27 LYS H 19127 1 21 DHN . 1 1 28 28 THR N N 15 . . 1 1 28 28 THR H H 1 . -18.620 . . 1.000 1.00 . . . 28 THR N . 28 THR H 19127 1 22 DHN . 1 1 29 29 ARG N N 15 . . 1 1 29 29 ARG H H 1 . -11.780 . . 1.000 1.00 . . . 29 ARG N . 29 ARG H 19127 1 23 DHN . 1 1 30 30 ASN N N 15 . . 1 1 30 30 ASN H H 1 . -12.312 . . 1.000 1.00 . . . 30 ASN N . 30 ASN H 19127 1 24 DHN . 1 1 31 31 HIS N N 15 . . 1 1 31 31 HIS H H 1 . -27.740 . . 1.000 1.00 . . . 31 HIS N . 31 HIS H 19127 1 25 DHN . 1 1 32 32 GLY N N 15 . . 1 1 32 32 GLY H H 1 . -7.524 . . 1.000 1.00 . . . 32 GLY N . 32 GLY H 19127 1 26 DHN . 1 1 35 35 VAL N N 15 . . 1 1 35 35 VAL H H 1 . 26.524 . . 1.000 1.00 . . . 35 VAL N . 35 VAL H 19127 1 27 DHN . 1 1 36 36 ILE N N 15 . . 1 1 36 36 ILE H H 1 . -18.164 . . 1.000 1.00 . . . 36 ILE N . 36 ILE H 19127 1 28 DHN . 1 1 37 37 VAL N N 15 . . 1 1 37 37 VAL H H 1 . -14.440 . . 1.000 1.00 . . . 37 VAL N . 37 VAL H 19127 1 29 DHN . 1 1 38 38 GLY N N 15 . . 1 1 38 38 GLY H H 1 . 33.440 . . 1.000 1.00 . . . 38 GLY N . 38 GLY H 19127 1 30 DHN . 1 1 39 39 GLY N N 15 . . 1 1 39 39 GLY H H 1 . -13.072 . . 1.000 1.00 . . . 39 GLY N . 39 GLY H 19127 1 31 DHN . 1 1 40 40 GLU N N 15 . . 1 1 40 40 GLU H H 1 . -26.372 . . 1.000 1.00 . . . 40 GLU N . 40 GLU H 19127 1 32 DHN . 1 1 42 42 PHE N N 15 . . 1 1 42 42 PHE H H 1 . 37.772 . . 1.000 1.00 . . . 42 PHE N . 42 PHE H 19127 1 33 DHN . 1 1 43 43 THR N N 15 . . 1 1 43 43 THR H H 1 . 26.372 . . 1.000 1.00 . . . 43 THR N . 43 THR H 19127 1 34 DHN . 1 1 44 44 ASP N N 15 . . 1 1 44 44 ASP H H 1 . -4.256 . . 1.000 1.00 . . . 44 ASP N . 44 ASP H 19127 1 35 DHN . 1 1 45 45 TYR N N 15 . . 1 1 45 45 TYR H H 1 . -21.660 . . 1.000 1.00 . . . 45 TYR N . 45 TYR H 19127 1 36 DHN . 1 1 46 46 SER N N 15 . . 1 1 46 46 SER H H 1 . -0.380 . . 1.000 1.00 . . . 46 SER N . 46 SER H 19127 1 37 DHN . 1 1 47 47 ASP N N 15 . . 1 1 47 47 ASP H H 1 . -17.024 . . 1.000 1.00 . . . 47 ASP N . 47 ASP H 19127 1 38 DHN . 1 1 50 50 ARG N N 15 . . 1 1 50 50 ARG H H 1 . 30.628 . . 1.000 1.00 . . . 50 ARG N . 50 ARG H 19127 1 39 DHN . 1 1 51 51 LYS N N 15 . . 1 1 51 51 LYS H H 1 . 24.700 . . 1.000 1.00 . . . 51 LYS N . 51 LYS H 19127 1 40 DHN . 1 1 52 52 LEU N N 15 . . 1 1 52 52 LEU H H 1 . 30.932 . . 1.000 1.00 . . . 52 LEU N . 52 LEU H 19127 1 41 DHN . 1 1 53 53 VAL N N 15 . . 1 1 53 53 VAL H H 1 . 11.704 . . 1.000 1.00 . . . 53 VAL N . 53 VAL H 19127 1 42 DHN . 1 1 55 55 LEU N N 15 . . 1 1 55 55 LEU H H 1 . -24.624 . . 1.000 1.00 . . . 55 LEU N . 55 LEU H 19127 1 43 DHN . 1 1 56 56 ASN N N 15 . . 1 1 56 56 ASN H H 1 . -9.804 . . 1.000 1.00 . . . 56 ASN N . 56 ASN H 19127 1 44 DHN . 1 1 58 58 LYS N N 15 . . 1 1 58 58 LYS H H 1 . -0.912 . . 1.000 1.00 . . . 58 LYS N . 58 LYS H 19127 1 45 DHN . 1 1 59 59 LEU N N 15 . . 1 1 59 59 LEU H H 1 . -10.564 . . 1.000 1.00 . . . 59 LEU N . 59 LEU H 19127 1 46 DHN . 1 1 60 60 LYS N N 15 . . 1 1 60 60 LYS H H 1 . -23.180 . . 1.000 1.00 . . . 60 LYS N . 60 LYS H 19127 1 47 DHN . 1 1 62 62 THR N N 15 . . 1 1 62 62 THR H H 1 . -8.284 . . 1.000 1.00 . . . 62 THR N . 62 THR H 19127 1 48 DHN . 1 1 63 63 GLY N N 15 . . 1 1 63 63 GLY H H 1 . -7.676 . . 1.000 1.00 . . . 63 GLY N . 63 GLY H 19127 1 49 DHN . 1 1 65 65 GLY N N 15 . . 1 1 65 65 GLY H H 1 . -8.208 . . 1.000 1.00 . . . 65 GLY N . 65 GLY H 19127 1 50 DHN . 1 1 66 66 ARG N N 15 . . 1 1 66 66 ARG H H 1 . -4.180 . . 1.000 1.00 . . . 66 ARG N . 66 ARG H 19127 1 51 DHN . 1 1 67 67 TYR N N 15 . . 1 1 67 67 TYR H H 1 . 13.376 . . 1.000 1.00 . . . 67 TYR N . 67 TYR H 19127 1 52 DHN . 1 1 68 68 GLN N N 15 . . 1 1 68 68 GLN H H 1 . -30.172 . . 1.000 1.00 . . . 68 GLN N . 68 GLN H 19127 1 53 DHN . 1 1 69 69 LEU N N 15 . . 1 1 69 69 LEU H H 1 . -23.332 . . 1.000 1.00 . . . 69 LEU N . 69 LEU H 19127 1 54 DHN . 1 1 70 70 LEU N N 15 . . 1 1 70 70 LEU H H 1 . 13.072 . . 1.000 1.00 . . . 70 LEU N . 70 LEU H 19127 1 55 DHN . 1 1 71 71 SER N N 15 . . 1 1 71 71 SER H H 1 . -2.052 . . 1.000 1.00 . . . 71 SER N . 71 SER H 19127 1 56 DHN . 1 1 73 73 TRP N N 15 . . 1 1 73 73 TRP H H 1 . -13.832 . . 1.000 1.00 . . . 73 TRP N . 73 TRP H 19127 1 57 DHN . 1 1 74 74 TRP N N 15 . . 1 1 74 74 TRP H H 1 . -0.456 . . 1.000 1.00 . . . 74 TRP N . 74 TRP H 19127 1 58 DHN . 1 1 75 75 ASP N N 15 . . 1 1 75 75 ASP H H 1 . -2.128 . . 1.000 1.00 . . . 75 ASP N . 75 ASP H 19127 1 59 DHN . 1 1 76 76 ALA N N 15 . . 1 1 76 76 ALA H H 1 . -5.168 . . 1.000 1.00 . . . 76 ALA N . 76 ALA H 19127 1 60 DHN . 1 1 78 78 ARG N N 15 . . 1 1 78 78 ARG H H 1 . 2.280 . . 1.000 1.00 . . . 78 ARG N . 78 ARG H 19127 1 61 DHN . 1 1 79 79 LYS N N 15 . . 1 1 79 79 LYS H H 1 . -8.436 . . 1.000 1.00 . . . 79 LYS N . 79 LYS H 19127 1 62 DHN . 1 1 81 81 LEU N N 15 . . 1 1 81 81 LEU H H 1 . 1.216 . . 1.000 1.00 . . . 81 LEU N . 81 LEU H 19127 1 63 DHN . 1 1 82 82 GLY N N 15 . . 1 1 82 82 GLY H H 1 . -11.780 . . 1.000 1.00 . . . 82 GLY N . 82 GLY H 19127 1 64 DHN . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . 11.856 . . 1.000 1.00 . . . 84 LYS N . 84 LYS H 19127 1 65 DHN . 1 1 85 85 ASP N N 15 . . 1 1 85 85 ASP H H 1 . 25.156 . . 1.000 1.00 . . . 85 ASP N . 85 ASP H 19127 1 66 DHN . 1 1 87 87 SER N N 15 . . 1 1 87 87 SER H H 1 . -6.688 . . 1.000 1.00 . . . 87 SER N . 87 SER H 19127 1 67 DHN . 1 1 89 89 LYS N N 15 . . 1 1 89 89 LYS H H 1 . -7.372 . . 1.000 1.00 . . . 89 LYS N . 89 LYS H 19127 1 68 DHN . 1 1 90 90 SER N N 15 . . 1 1 90 90 SER H H 1 . -2.432 . . 1.000 1.00 . . . 90 SER N . 90 SER H 19127 1 69 DHN . 1 1 92 92 ASP N N 15 . . 1 1 92 92 ASP H H 1 . -18.392 . . 1.000 1.00 . . . 92 ASP N . 92 ASP H 19127 1 70 DHN . 1 1 95 95 ALA N N 15 . . 1 1 95 95 ALA H H 1 . -21.584 . . 1.000 1.00 . . . 95 ALA N . 95 ALA H 19127 1 71 DHN . 1 1 96 96 LEU N N 15 . . 1 1 96 96 LEU H H 1 . -9.728 . . 1.000 1.00 . . . 96 LEU N . 96 LEU H 19127 1 72 DHN . 1 1 97 97 GLN N N 15 . . 1 1 97 97 GLN H H 1 . 8.284 . . 1.000 1.00 . . . 97 GLN N . 97 GLN H 19127 1 73 DHN . 1 1 98 98 GLN N N 15 . . 1 1 98 98 GLN H H 1 . -16.264 . . 1.000 1.00 . . . 98 GLN N . 98 GLN H 19127 1 74 DHN . 1 1 99 99 ILE N N 15 . . 1 1 99 99 ILE H H 1 . -13.908 . . 1.000 1.00 . . . 99 ILE N . 99 ILE H 19127 1 75 DHN . 1 1 101 101 GLU N N 15 . . 1 1 101 101 GLU H H 1 . 2.356 . . 1.000 1.00 . . . 101 GLU N . 101 GLU H 19127 1 76 DHN . 1 1 102 102 ARG N N 15 . . 1 1 102 102 ARG H H 1 . -30.324 . . 1.000 1.00 . . . 102 ARG N . 102 ARG H 19127 1 77 DHN . 1 1 103 103 GLY N N 15 . . 1 1 103 103 GLY H H 1 . 9.424 . . 1.000 1.00 . . . 103 GLY N . 103 GLY H 19127 1 78 DHN . 1 1 104 104 ALA N N 15 . . 1 1 104 104 ALA H H 1 . 37.620 . . 1.000 1.00 . . . 104 ALA N . 104 ALA H 19127 1 79 DHN . 1 1 107 107 MET N N 15 . . 1 1 107 107 MET H H 1 . 22.572 . . 1.000 1.00 . . . 107 MET N . 107 MET H 19127 1 80 DHN . 1 1 108 108 ILE N N 15 . . 1 1 108 108 ILE H H 1 . 8.816 . . 1.000 1.00 . . . 108 ILE N . 108 ILE H 19127 1 81 DHN . 1 1 109 109 ASP N N 15 . . 1 1 109 109 ASP H H 1 . -6.536 . . 1.000 1.00 . . . 109 ASP N . 109 ASP H 19127 1 82 DHN . 1 1 110 110 ARG N N 15 . . 1 1 110 110 ARG H H 1 . -7.904 . . 1.000 1.00 . . . 110 ARG N . 110 ARG H 19127 1 83 DHN . 1 1 111 111 GLY N N 15 . . 1 1 111 111 GLY H H 1 . 34.276 . . 1.000 1.00 . . . 111 GLY N . 111 GLY H 19127 1 84 DHN . 1 1 112 112 ASP N N 15 . . 1 1 112 112 ASP H H 1 . 3.572 . . 1.000 1.00 . . . 112 ASP N . 112 ASP H 19127 1 85 DHN . 1 1 113 113 ILE N N 15 . . 1 1 113 113 ILE H H 1 . 10.868 . . 1.000 1.00 . . . 113 ILE N . 113 ILE H 19127 1 86 DHN . 1 1 115 115 GLN N N 15 . . 1 1 115 115 GLN H H 1 . 19.532 . . 1.000 1.00 . . . 115 GLN N . 115 GLN H 19127 1 87 DHN . 1 1 116 116 ALA N N 15 . . 1 1 116 116 ALA H H 1 . 7.524 . . 1.000 1.00 . . . 116 ALA N . 116 ALA H 19127 1 88 DHN . 1 1 117 117 ILE N N 15 . . 1 1 117 117 ILE H H 1 . 26.372 . . 1.000 1.00 . . . 117 ILE N . 117 ILE H 19127 1 89 DHN . 1 1 118 118 ASP N N 15 . . 1 1 118 118 ASP H H 1 . 39.064 . . 1.000 1.00 . . . 118 ASP N . 118 ASP H 19127 1 90 DHN . 1 1 119 119 ARG N N 15 . . 1 1 119 119 ARG H H 1 . 15.960 . . 1.000 1.00 . . . 119 ARG N . 119 ARG H 19127 1 91 DHN . 1 1 120 120 CYS N N 15 . . 1 1 120 120 CYS H H 1 . 12.160 . . 1.000 1.00 . . . 120 CYS N . 120 CYS H 19127 1 92 DHN . 1 1 122 122 ASN N N 15 . . 1 1 122 122 ASN H H 1 . 14.364 . . 1.000 1.00 . . . 122 ASN N . 122 ASN H 19127 1 93 DHN . 1 1 124 124 TRP N N 15 . . 1 1 124 124 TRP H H 1 . 28.956 . . 1.000 1.00 . . . 124 TRP N . 124 TRP H 19127 1 94 DHN . 1 1 125 125 ALA N N 15 . . 1 1 125 125 ALA H H 1 . 16.492 . . 1.000 1.00 . . . 125 ALA N . 125 ALA H 19127 1 95 DHN . 1 1 126 126 SER N N 15 . . 1 1 126 126 SER H H 1 . 3.572 . . 1.000 1.00 . . . 126 SER N . 126 SER H 19127 1 96 DHN . 1 1 127 127 LEU N N 15 . . 1 1 127 127 LEU H H 1 . 7.448 . . 1.000 1.00 . . . 127 LEU N . 127 LEU H 19127 1 97 DHN . 1 1 129 129 GLY N N 15 . . 1 1 129 129 GLY H H 1 . 5.396 . . 1.000 1.00 . . . 129 GLY N . 129 GLY H 19127 1 98 DHN . 1 1 130 130 ALA N N 15 . . 1 1 130 130 ALA H H 1 . -9.880 . . 1.000 1.00 . . . 130 ALA N . 130 ALA H 19127 1 99 DHN . 1 1 131 131 GLY N N 15 . . 1 1 131 131 GLY H H 1 . 5.092 . . 1.000 1.00 . . . 131 GLY N . 131 GLY H 19127 1 100 DHN . 1 1 133 133 GLY N N 15 . . 1 1 133 133 GLY H H 1 . 9.804 . . 1.000 1.00 . . . 133 GLY N . 133 GLY H 19127 1 101 DHN . 1 1 137 137 HIS N N 15 . . 1 1 137 137 HIS H H 1 . -8.740 . . 1.000 1.00 . . . 137 HIS N . 137 HIS H 19127 1 102 DHN . 1 1 138 138 LYS N N 15 . . 1 1 138 138 LYS H H 1 . -24.396 . . 1.000 1.00 . . . 138 LYS N . 138 LYS H 19127 1 103 DHN . 1 1 140 140 ASP N N 15 . . 1 1 140 140 ASP H H 1 . -13.452 . . 1.000 1.00 . . . 140 ASP N . 140 ASP H 19127 1 104 DHN . 1 1 141 141 SER N N 15 . . 1 1 141 141 SER H H 1 . -15.200 . . 1.000 1.00 . . . 141 SER N . 141 SER H 19127 1 105 DHN . 1 1 142 142 LEU N N 15 . . 1 1 142 142 LEU H H 1 . -24.016 . . 1.000 1.00 . . . 142 LEU N . 142 LEU H 19127 1 106 DHN . 1 1 144 144 ALA N N 15 . . 1 1 144 144 ALA H H 1 . -9.576 . . 1.000 1.00 . . . 144 ALA N . 144 ALA H 19127 1 107 DHN . 1 1 145 145 LYS N N 15 . . 1 1 145 145 LYS H H 1 . -19.532 . . 1.000 1.00 . . . 145 LYS N . 145 LYS H 19127 1 108 DHN . 1 1 147 147 LYS N N 15 . . 1 1 147 147 LYS H H 1 . -9.728 . . 1.000 1.00 . . . 147 LYS N . 147 LYS H 19127 1 109 DHN . 1 1 148 148 GLU N N 15 . . 1 1 148 148 GLU H H 1 . -9.804 . . 1.000 1.00 . . . 148 GLU N . 148 GLU H 19127 1 110 DHN . 1 1 149 149 ALA N N 15 . . 1 1 149 149 ALA H H 1 . -23.104 . . 1.000 1.00 . . . 149 ALA N . 149 ALA H 19127 1 111 DHN . 1 1 150 150 GLY N N 15 . . 1 1 150 150 GLY H H 1 . -0.304 . . 1.000 1.00 . . . 150 GLY N . 150 GLY H 19127 1 112 DHN . 1 1 151 151 GLY N N 15 . . 1 1 151 151 GLY H H 1 . 4.560 . . 1.000 1.00 . . . 151 GLY N . 151 GLY H 19127 1 113 DHN . 1 1 152 152 THR N N 15 . . 1 1 152 152 THR H H 1 . -2.128 . . 1.000 1.00 . . . 152 THR N . 152 THR H 19127 1 114 DHN . 1 1 154 154 ARG N N 15 . . 1 1 154 154 ARG H H 1 . 15.504 . . 1.000 1.00 . . . 154 ARG N . 154 ARG H 19127 1 115 DHN . 1 1 155 155 GLU N N 15 . . 1 1 155 155 GLU H H 1 . -4.940 . . 1.000 1.00 . . . 155 GLU N . 155 GLU H 19127 1 116 DHN . 1 1 156 156 ILE N N 15 . . 1 1 156 156 ILE H H 1 . -1.672 . . 1.000 1.00 . . . 156 ILE N . 156 ILE H 19127 1 117 DHN . 1 1 157 157 ASP N N 15 . . 1 1 157 157 ASP H H 1 . -3.040 . . 1.000 1.00 . . . 157 ASP N . 157 ASP H 19127 1 118 DHN . 1 1 158 158 VAL N N 15 . . 1 1 158 158 VAL H H 1 . -2.432 . . 1.000 1.00 . . . 158 VAL N . 158 VAL H 19127 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 19127 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description 'Not sure what this means.See below for explanation of how the hetNOE ratio calculated.' _Heteronucl_NOE_list.Details 'the reported hetNOEs are the ratio of peak heights in spectra collected with and without 1H saturation' _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 6 '2D {1H}-15N heteronuclear NOE' . . . 19127 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLU N N 15 . 1 1 3 3 GLU H H 1 0.583 0.048 . . . 3 GLU N . 3 GLU H 19127 1 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.553 0.024 . . . 4 ILE N . 4 ILE H 19127 1 3 . 1 1 5 5 ASN N N 15 . 1 1 5 5 ASN H H 1 0.513 0.044 . . . 5 ASN N . 5 ASN H 19127 1 4 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 0.776 0.056 . . . 6 ASN N . 6 ASN H 19127 1 5 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.750 0.028 . . . 7 GLN N . 7 GLN H 19127 1 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.778 0.060 . . . 8 ARG N . 8 ARG H 19127 1 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.798 0.038 . . . 9 LYS N . 9 LYS H 19127 1 8 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.819 0.026 . . . 10 ALA N . 10 ALA H 19127 1 9 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.788 0.036 . . . 11 PHE N . 11 PHE H 19127 1 10 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.821 0.042 . . . 12 LEU N . 12 LEU H 19127 1 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.783 0.034 . . . 14 MET N . 14 MET H 19127 1 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.671 0.030 . . . 15 LEU N . 15 LEU H 19127 1 13 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.784 0.028 . . . 16 ALA N . 16 ALA H 19127 1 14 . 1 1 17 17 TRP N N 15 . 1 1 17 17 TRP H H 1 0.770 0.034 . . . 17 TRP N . 17 TRP H 19127 1 15 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.769 0.034 . . . 18 SER N . 18 SER H 19127 1 16 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.828 0.046 . . . 19 GLU N . 19 GLU H 19127 1 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.825 0.034 . . . 20 GLY N . 20 GLY H 19127 1 18 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.813 0.036 . . . 21 THR N . 21 THR H 19127 1 19 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.825 0.036 . . . 22 ASP N . 22 ASP H 19127 1 20 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.810 0.034 . . . 24 GLY N . 24 GLY H 19127 1 21 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.798 0.032 . . . 25 ARG N . 25 ARG H 19127 1 22 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.756 0.034 . . . 26 GLN N . 26 GLN H 19127 1 23 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.810 0.030 . . . 27 LYS N . 27 LYS H 19127 1 24 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.738 0.022 . . . 28 THR N . 28 THR H 19127 1 25 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.814 0.062 . . . 29 ARG N . 29 ARG H 19127 1 26 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.792 0.036 . . . 30 ASN N . 30 ASN H 19127 1 27 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.779 0.030 . . . 31 HIS N . 31 HIS H 19127 1 28 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.799 0.050 . . . 32 GLY N . 32 GLY H 19127 1 29 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.843 0.034 . . . 35 VAL N . 35 VAL H 19127 1 30 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.793 0.056 . . . 36 ILE N . 36 ILE H 19127 1 31 . 1 1 37 37 VAL N N 15 . 1 1 37 37 VAL H H 1 0.791 0.040 . . . 37 VAL N . 37 VAL H 19127 1 32 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.810 0.032 . . . 39 GLY N . 39 GLY H 19127 1 33 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.790 0.024 . . . 40 GLU N . 40 GLU H 19127 1 34 . 1 1 42 42 PHE N N 15 . 1 1 42 42 PHE H H 1 0.780 0.046 . . . 42 PHE N . 42 PHE H 19127 1 35 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.803 0.046 . . . 43 THR N . 43 THR H 19127 1 36 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.776 0.036 . . . 44 ASP N . 44 ASP H 19127 1 37 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.811 0.038 . . . 45 TYR N . 45 TYR H 19127 1 38 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.821 0.024 . . . 46 SER N . 46 SER H 19127 1 39 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.832 0.018 . . . 47 ASP N . 47 ASP H 19127 1 40 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.714 0.042 . . . 48 HIS N . 48 HIS H 19127 1 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.835 0.106 . . . 50 ARG N . 50 ARG H 19127 1 42 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.754 0.034 . . . 51 LYS N . 51 LYS H 19127 1 43 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.696 0.042 . . . 52 LEU N . 52 LEU H 19127 1 44 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.839 0.104 . . . 53 VAL N . 53 VAL H 19127 1 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.668 0.058 . . . 55 LEU N . 55 LEU H 19127 1 46 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.516 0.026 . . . 58 LYS N . 58 LYS H 19127 1 47 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.466 0.020 . . . 59 LEU N . 59 LEU H 19127 1 48 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 0.621 0.032 . . . 60 LYS N . 60 LYS H 19127 1 49 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.809 0.056 . . . 62 THR N . 62 THR H 19127 1 50 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 0.792 0.044 . . . 63 GLY N . 63 GLY H 19127 1 51 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.774 0.054 . . . 65 GLY N . 65 GLY H 19127 1 52 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.819 0.068 . . . 66 ARG N . 66 ARG H 19127 1 53 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.777 0.048 . . . 67 TYR N . 67 TYR H 19127 1 54 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.771 0.044 . . . 69 LEU N . 69 LEU H 19127 1 55 . 1 1 70 70 LEU N N 15 . 1 1 70 70 LEU H H 1 0.866 0.060 . . . 70 LEU N . 70 LEU H 19127 1 56 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.800 0.046 . . . 71 SER N . 71 SER H 19127 1 57 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.764 0.026 . . . 72 ARG N . 72 ARG H 19127 1 58 . 1 1 73 73 TRP N N 15 . 1 1 73 73 TRP H H 1 0.761 0.032 . . . 73 TRP N . 73 TRP H 19127 1 59 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.794 0.036 . . . 74 TRP N . 74 TRP H 19127 1 60 . 1 1 75 75 ASP N N 15 . 1 1 75 75 ASP H H 1 0.788 0.026 . . . 75 ASP N . 75 ASP H 19127 1 61 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.756 0.022 . . . 76 ALA N . 76 ALA H 19127 1 62 . 1 1 77 77 TYR N N 15 . 1 1 77 77 TYR H H 1 0.740 0.028 . . . 77 TYR N . 77 TYR H 19127 1 63 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.800 0.026 . . . 78 ARG N . 78 ARG H 19127 1 64 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.750 0.026 . . . 79 LYS N . 79 LYS H 19127 1 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.732 0.036 . . . 81 LEU N . 81 LEU H 19127 1 66 . 1 1 82 82 GLY N N 15 . 1 1 82 82 GLY H H 1 0.780 0.028 . . . 82 GLY N . 82 GLY H 19127 1 67 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.804 0.034 . . . 83 LEU N . 83 LEU H 19127 1 68 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.768 0.044 . . . 84 LYS N . 84 LYS H 19127 1 69 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.708 0.020 . . . 85 ASP N . 85 ASP H 19127 1 70 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.792 0.032 . . . 87 SER N . 87 SER H 19127 1 71 . 1 1 89 89 LYS N N 15 . 1 1 89 89 LYS H H 1 0.758 0.022 . . . 89 LYS N . 89 LYS H 19127 1 72 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.794 0.032 . . . 90 SER N . 90 SER H 19127 1 73 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.782 0.038 . . . 91 GLN N . 91 GLN H 19127 1 74 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.794 0.032 . . . 92 ASP N . 92 ASP H 19127 1 75 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.811 0.026 . . . 93 ALA N . 93 ALA H 19127 1 76 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.817 0.030 . . . 95 ALA N . 95 ALA H 19127 1 77 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.801 0.036 . . . 96 LEU N . 96 LEU H 19127 1 78 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.814 0.034 . . . 97 GLN N . 97 GLN H 19127 1 79 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.764 0.042 . . . 98 GLN N . 98 GLN H 19127 1 80 . 1 1 99 99 ILE N N 15 . 1 1 99 99 ILE H H 1 0.681 0.044 . . . 99 ILE N . 99 ILE H 19127 1 81 . 1 1 101 101 GLU N N 15 . 1 1 101 101 GLU H H 1 0.811 0.036 . . . 101 GLU N . 101 GLU H 19127 1 82 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.758 0.028 . . . 102 ARG N . 102 ARG H 19127 1 83 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.820 0.034 . . . 103 GLY N . 103 GLY H 19127 1 84 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.853 0.036 . . . 104 ALA N . 104 ALA H 19127 1 85 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.778 0.034 . . . 105 LEU N . 105 LEU H 19127 1 86 . 1 1 107 107 MET N N 15 . 1 1 107 107 MET H H 1 0.814 0.032 . . . 107 MET N . 107 MET H 19127 1 87 . 1 1 108 108 ILE N N 15 . 1 1 108 108 ILE H H 1 0.804 0.048 . . . 108 ILE N . 108 ILE H 19127 1 88 . 1 1 109 109 ASP N N 15 . 1 1 109 109 ASP H H 1 0.774 0.028 . . . 109 ASP N . 109 ASP H 19127 1 89 . 1 1 110 110 ARG N N 15 . 1 1 110 110 ARG H H 1 0.808 0.032 . . . 110 ARG N . 110 ARG H 19127 1 90 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.770 0.034 . . . 112 ASP N . 112 ASP H 19127 1 91 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.782 0.040 . . . 113 ILE N . 113 ILE H 19127 1 92 . 1 1 115 115 GLN N N 15 . 1 1 115 115 GLN H H 1 0.786 0.030 . . . 115 GLN N . 115 GLN H 19127 1 93 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.801 0.030 . . . 116 ALA N . 116 ALA H 19127 1 94 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 0.793 0.040 . . . 117 ILE N . 117 ILE H 19127 1 95 . 1 1 118 118 ASP N N 15 . 1 1 118 118 ASP H H 1 0.801 0.030 . . . 118 ASP N . 118 ASP H 19127 1 96 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.748 0.036 . . . 119 ARG N . 119 ARG H 19127 1 97 . 1 1 120 120 CYS N N 15 . 1 1 120 120 CYS H H 1 0.750 0.036 . . . 120 CYS N . 120 CYS H 19127 1 98 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.771 0.028 . . . 121 SER N . 121 SER H 19127 1 99 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.692 0.026 . . . 122 ASN N . 122 ASN H 19127 1 100 . 1 1 124 124 TRP N N 15 . 1 1 124 124 TRP H H 1 0.756 0.048 . . . 124 TRP N . 124 TRP H 19127 1 101 . 1 1 126 126 SER N N 15 . 1 1 126 126 SER H H 1 0.772 0.036 . . . 126 SER N . 126 SER H 19127 1 102 . 1 1 127 127 LEU N N 15 . 1 1 127 127 LEU H H 1 0.787 0.032 . . . 127 LEU N . 127 LEU H 19127 1 103 . 1 1 129 129 GLY N N 15 . 1 1 129 129 GLY H H 1 0.645 0.084 . . . 129 GLY N . 129 GLY H 19127 1 104 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.655 0.032 . . . 130 ALA N . 130 ALA H 19127 1 105 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.544 0.032 . . . 131 GLY N . 131 GLY H 19127 1 106 . 1 1 132 132 TYR N N 15 . 1 1 132 132 TYR H H 1 0.578 0.022 . . . 132 TYR N . 132 TYR H 19127 1 107 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.504 0.022 . . . 133 GLY N . 133 GLY H 19127 1 108 . 1 1 134 134 GLN N N 15 . 1 1 134 134 GLN H H 1 0.550 0.028 . . . 134 GLN N . 134 GLN H 19127 1 109 . 1 1 135 135 PHE N N 15 . 1 1 135 135 PHE H H 1 0.553 0.018 . . . 135 PHE N . 135 PHE H 19127 1 110 . 1 1 137 137 HIS N N 15 . 1 1 137 137 HIS H H 1 0.671 0.040 . . . 137 HIS N . 137 HIS H 19127 1 111 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 0.674 0.038 . . . 138 LYS N . 138 LYS H 19127 1 112 . 1 1 140 140 ASP N N 15 . 1 1 140 140 ASP H H 1 0.804 0.050 . . . 140 ASP N . 140 ASP H 19127 1 113 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.776 0.038 . . . 141 SER N . 141 SER H 19127 1 114 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.774 0.036 . . . 142 LEU N . 142 LEU H 19127 1 115 . 1 1 144 144 ALA N N 15 . 1 1 144 144 ALA H H 1 0.829 0.024 . . . 144 ALA N . 144 ALA H 19127 1 116 . 1 1 145 145 LYS N N 15 . 1 1 145 145 LYS H H 1 0.825 0.030 . . . 145 LYS N . 145 LYS H 19127 1 117 . 1 1 146 146 PHE N N 15 . 1 1 146 146 PHE H H 1 0.763 0.032 . . . 146 PHE N . 146 PHE H 19127 1 118 . 1 1 147 147 LYS N N 15 . 1 1 147 147 LYS H H 1 0.804 0.036 . . . 147 LYS N . 147 LYS H 19127 1 119 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.779 0.026 . . . 148 GLU N . 148 GLU H 19127 1 120 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.796 0.026 . . . 149 ALA N . 149 ALA H 19127 1 121 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.802 0.032 . . . 151 GLY N . 151 GLY H 19127 1 122 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 0.819 0.048 . . . 152 THR N . 152 THR H 19127 1 123 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 0.782 0.034 . . . 153 VAL N . 153 VAL H 19127 1 124 . 1 1 154 154 ARG N N 15 . 1 1 154 154 ARG H H 1 0.718 0.036 . . . 154 ARG N . 154 ARG H 19127 1 125 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.405 0.140 . . . 155 GLU N . 155 GLU H 19127 1 126 . 1 1 156 156 ILE N N 15 . 1 1 156 156 ILE H H 1 0.050 0.100 . . . 156 ILE N . 156 ILE H 19127 1 127 . 1 1 157 157 ASP N N 15 . 1 1 157 157 ASP H H 1 -0.237 0.080 . . . 157 ASP N . 157 ASP H 19127 1 128 . 1 1 158 158 VAL N N 15 . 1 1 158 158 VAL H H 1 -0.844 0.100 . . . 158 VAL N . 158 VAL H 19127 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 19127 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description 'Not sure what this means.See below for explanation of how the hetNOE ratio calculated.' _Heteronucl_NOE_list.Details 'the reported hetNOEs are the ratio of peak heights in spectra collected with and without 1H saturation' _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 7 '2D {1H}-15N heteronuclear NOE' . . . 19127 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLU N N 15 . 1 1 3 3 GLU H H 1 0.646 0.040 . . . 3 GLU N . 3 GLU H 19127 2 2 . 1 1 4 4 ILE N N 15 . 1 1 4 4 ILE H H 1 0.646 0.020 . . . 4 ILE N . 4 ILE H 19127 2 3 . 1 1 5 5 ASN N N 15 . 1 1 5 5 ASN H H 1 0.568 0.052 . . . 5 ASN N . 5 ASN H 19127 2 4 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 0.863 0.052 . . . 6 ASN N . 6 ASN H 19127 2 5 . 1 1 7 7 GLN N N 15 . 1 1 7 7 GLN H H 1 0.837 0.024 . . . 7 GLN N . 7 GLN H 19127 2 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.842 0.046 . . . 8 ARG N . 8 ARG H 19127 2 7 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.843 0.034 . . . 9 LYS N . 9 LYS H 19127 2 8 . 1 1 10 10 ALA N N 15 . 1 1 10 10 ALA H H 1 0.836 0.022 . . . 10 ALA N . 10 ALA H 19127 2 9 . 1 1 11 11 PHE N N 15 . 1 1 11 11 PHE H H 1 0.919 0.032 . . . 11 PHE N . 11 PHE H 19127 2 10 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.860 0.028 . . . 12 LEU N . 12 LEU H 19127 2 11 . 1 1 14 14 MET N N 15 . 1 1 14 14 MET H H 1 0.863 0.032 . . . 14 MET N . 14 MET H 19127 2 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.796 0.030 . . . 15 LEU N . 15 LEU H 19127 2 13 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.842 0.026 . . . 16 ALA N . 16 ALA H 19127 2 14 . 1 1 17 17 TRP N N 15 . 1 1 17 17 TRP H H 1 0.874 0.028 . . . 17 TRP N . 17 TRP H 19127 2 15 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 0.857 0.040 . . . 18 SER N . 18 SER H 19127 2 16 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.867 0.046 . . . 19 GLU N . 19 GLU H 19127 2 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.908 0.034 . . . 20 GLY N . 20 GLY H 19127 2 18 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 0.863 0.032 . . . 21 THR N . 21 THR H 19127 2 19 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 0.839 0.026 . . . 22 ASP N . 22 ASP H 19127 2 20 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.839 0.036 . . . 24 GLY N . 24 GLY H 19127 2 21 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.795 0.024 . . . 25 ARG N . 25 ARG H 19127 2 22 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.798 0.028 . . . 26 GLN N . 26 GLN H 19127 2 23 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.811 0.032 . . . 27 LYS N . 27 LYS H 19127 2 24 . 1 1 28 28 THR N N 15 . 1 1 28 28 THR H H 1 0.799 0.018 . . . 28 THR N . 28 THR H 19127 2 25 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.853 0.066 . . . 29 ARG N . 29 ARG H 19127 2 26 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.850 0.032 . . . 30 ASN N . 30 ASN H 19127 2 27 . 1 1 31 31 HIS N N 15 . 1 1 31 31 HIS H H 1 0.844 0.032 . . . 31 HIS N . 31 HIS H 19127 2 28 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.844 0.058 . . . 32 GLY N . 32 GLY H 19127 2 29 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.861 0.028 . . . 35 VAL N . 35 VAL H 19127 2 30 . 1 1 36 36 ILE N N 15 . 1 1 36 36 ILE H H 1 0.821 0.060 . . . 36 ILE N . 36 ILE H 19127 2 31 . 1 1 37 37 VAL N N 15 . 1 1 37 37 VAL H H 1 0.834 0.034 . . . 37 VAL N . 37 VAL H 19127 2 32 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.833 0.032 . . . 39 GLY N . 39 GLY H 19127 2 33 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.854 0.022 . . . 40 GLU N . 40 GLU H 19127 2 34 . 1 1 42 42 PHE N N 15 . 1 1 42 42 PHE H H 1 0.849 0.038 . . . 42 PHE N . 42 PHE H 19127 2 35 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.850 0.046 . . . 43 THR N . 43 THR H 19127 2 36 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.806 0.030 . . . 44 ASP N . 44 ASP H 19127 2 37 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.823 0.032 . . . 45 TYR N . 45 TYR H 19127 2 38 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.876 0.026 . . . 46 SER N . 46 SER H 19127 2 39 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.879 0.016 . . . 47 ASP N . 47 ASP H 19127 2 40 . 1 1 48 48 HIS N N 15 . 1 1 48 48 HIS H H 1 0.892 0.058 . . . 48 HIS N . 48 HIS H 19127 2 41 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.807 0.126 . . . 50 ARG N . 50 ARG H 19127 2 42 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.792 0.030 . . . 51 LYS N . 51 LYS H 19127 2 43 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.724 0.046 . . . 52 LEU N . 52 LEU H 19127 2 44 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.777 0.202 . . . 53 VAL N . 53 VAL H 19127 2 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.606 0.068 . . . 55 LEU N . 55 LEU H 19127 2 46 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.525 0.022 . . . 58 LYS N . 58 LYS H 19127 2 47 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.539 0.016 . . . 59 LEU N . 59 LEU H 19127 2 48 . 1 1 60 60 LYS N N 15 . 1 1 60 60 LYS H H 1 0.667 0.028 . . . 60 LYS N . 60 LYS H 19127 2 49 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.815 0.048 . . . 62 THR N . 62 THR H 19127 2 50 . 1 1 63 63 GLY N N 15 . 1 1 63 63 GLY H H 1 0.826 0.040 . . . 63 GLY N . 63 GLY H 19127 2 51 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.832 0.056 . . . 65 GLY N . 65 GLY H 19127 2 52 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.823 0.054 . . . 66 ARG N . 66 ARG H 19127 2 53 . 1 1 67 67 TYR N N 15 . 1 1 67 67 TYR H H 1 0.829 0.040 . . . 67 TYR N . 67 TYR H 19127 2 54 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.837 0.032 . . . 69 LEU N . 69 LEU H 19127 2 55 . 1 1 70 70 LEU N N 15 . 1 1 70 70 LEU H H 1 0.838 0.062 . . . 70 LEU N . 70 LEU H 19127 2 56 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.804 0.044 . . . 71 SER N . 71 SER H 19127 2 57 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.861 0.022 . . . 72 ARG N . 72 ARG H 19127 2 58 . 1 1 73 73 TRP N N 15 . 1 1 73 73 TRP H H 1 0.818 0.026 . . . 73 TRP N . 73 TRP H 19127 2 59 . 1 1 74 74 TRP N N 15 . 1 1 74 74 TRP H H 1 0.838 0.032 . . . 74 TRP N . 74 TRP H 19127 2 60 . 1 1 75 75 ASP N N 15 . 1 1 75 75 ASP H H 1 0.826 0.024 . . . 75 ASP N . 75 ASP H 19127 2 61 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.837 0.020 . . . 76 ALA N . 76 ALA H 19127 2 62 . 1 1 77 77 TYR N N 15 . 1 1 77 77 TYR H H 1 0.810 0.026 . . . 77 TYR N . 77 TYR H 19127 2 63 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.855 0.028 . . . 78 ARG N . 78 ARG H 19127 2 64 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.782 0.022 . . . 79 LYS N . 79 LYS H 19127 2 65 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.801 0.030 . . . 81 LEU N . 81 LEU H 19127 2 66 . 1 1 82 82 GLY N N 15 . 1 1 82 82 GLY H H 1 0.841 0.028 . . . 82 GLY N . 82 GLY H 19127 2 67 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.816 0.024 . . . 83 LEU N . 83 LEU H 19127 2 68 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.750 0.040 . . . 84 LYS N . 84 LYS H 19127 2 69 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.729 0.016 . . . 85 ASP N . 85 ASP H 19127 2 70 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.842 0.030 . . . 87 SER N . 87 SER H 19127 2 71 . 1 1 89 89 LYS N N 15 . 1 1 89 89 LYS H H 1 0.832 0.022 . . . 89 LYS N . 89 LYS H 19127 2 72 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.858 0.024 . . . 90 SER N . 90 SER H 19127 2 73 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN H H 1 0.877 0.036 . . . 91 GLN N . 91 GLN H 19127 2 74 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.844 0.030 . . . 92 ASP N . 92 ASP H 19127 2 75 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.848 0.022 . . . 93 ALA N . 93 ALA H 19127 2 76 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.869 0.024 . . . 95 ALA N . 95 ALA H 19127 2 77 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.858 0.032 . . . 96 LEU N . 96 LEU H 19127 2 78 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.866 0.028 . . . 97 GLN N . 97 GLN H 19127 2 79 . 1 1 98 98 GLN N N 15 . 1 1 98 98 GLN H H 1 0.833 0.034 . . . 98 GLN N . 98 GLN H 19127 2 80 . 1 1 99 99 ILE N N 15 . 1 1 99 99 ILE H H 1 0.872 0.042 . . . 99 ILE N . 99 ILE H 19127 2 81 . 1 1 101 101 GLU N N 15 . 1 1 101 101 GLU H H 1 0.856 0.034 . . . 101 GLU N . 101 GLU H 19127 2 82 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.831 0.024 . . . 102 ARG N . 102 ARG H 19127 2 83 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.835 0.032 . . . 103 GLY N . 103 GLY H 19127 2 84 . 1 1 104 104 ALA N N 15 . 1 1 104 104 ALA H H 1 0.832 0.028 . . . 104 ALA N . 104 ALA H 19127 2 85 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.838 0.032 . . . 105 LEU N . 105 LEU H 19127 2 86 . 1 1 107 107 MET N N 15 . 1 1 107 107 MET H H 1 0.815 0.028 . . . 107 MET N . 107 MET H 19127 2 87 . 1 1 108 108 ILE N N 15 . 1 1 108 108 ILE H H 1 0.858 0.038 . . . 108 ILE N . 108 ILE H 19127 2 88 . 1 1 109 109 ASP N N 15 . 1 1 109 109 ASP H H 1 0.874 0.030 . . . 109 ASP N . 109 ASP H 19127 2 89 . 1 1 110 110 ARG N N 15 . 1 1 110 110 ARG H H 1 0.817 0.026 . . . 110 ARG N . 110 ARG H 19127 2 90 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 0.843 0.036 . . . 112 ASP N . 112 ASP H 19127 2 91 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.848 0.034 . . . 113 ILE N . 113 ILE H 19127 2 92 . 1 1 115 115 GLN N N 15 . 1 1 115 115 GLN H H 1 0.853 0.032 . . . 115 GLN N . 115 GLN H 19127 2 93 . 1 1 116 116 ALA N N 15 . 1 1 116 116 ALA H H 1 0.829 0.022 . . . 116 ALA N . 116 ALA H 19127 2 94 . 1 1 117 117 ILE N N 15 . 1 1 117 117 ILE H H 1 0.864 0.042 . . . 117 ILE N . 117 ILE H 19127 2 95 . 1 1 118 118 ASP N N 15 . 1 1 118 118 ASP H H 1 0.845 0.028 . . . 118 ASP N . 118 ASP H 19127 2 96 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.854 0.040 . . . 119 ARG N . 119 ARG H 19127 2 97 . 1 1 120 120 CYS N N 15 . 1 1 120 120 CYS H H 1 0.824 0.032 . . . 120 CYS N . 120 CYS H 19127 2 98 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.855 0.028 . . . 121 SER N . 121 SER H 19127 2 99 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.765 0.026 . . . 122 ASN N . 122 ASN H 19127 2 100 . 1 1 124 124 TRP N N 15 . 1 1 124 124 TRP H H 1 0.780 0.046 . . . 124 TRP N . 124 TRP H 19127 2 101 . 1 1 126 126 SER N N 15 . 1 1 126 126 SER H H 1 0.834 0.038 . . . 126 SER N . 126 SER H 19127 2 102 . 1 1 127 127 LEU N N 15 . 1 1 127 127 LEU H H 1 0.846 0.030 . . . 127 LEU N . 127 LEU H 19127 2 103 . 1 1 129 129 GLY N N 15 . 1 1 129 129 GLY H H 1 0.659 0.158 . . . 129 GLY N . 129 GLY H 19127 2 104 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.710 0.050 . . . 130 ALA N . 130 ALA H 19127 2 105 . 1 1 131 131 GLY N N 15 . 1 1 131 131 GLY H H 1 0.638 0.048 . . . 131 GLY N . 131 GLY H 19127 2 106 . 1 1 132 132 TYR N N 15 . 1 1 132 132 TYR H H 1 0.625 0.018 . . . 132 TYR N . 132 TYR H 19127 2 107 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 0.591 0.024 . . . 133 GLY N . 133 GLY H 19127 2 108 . 1 1 134 134 GLN N N 15 . 1 1 134 134 GLN H H 1 0.621 0.028 . . . 134 GLN N . 134 GLN H 19127 2 109 . 1 1 135 135 PHE N N 15 . 1 1 135 135 PHE H H 1 0.623 0.016 . . . 135 PHE N . 135 PHE H 19127 2 110 . 1 1 137 137 HIS N N 15 . 1 1 137 137 HIS H H 1 0.770 0.048 . . . 137 HIS N . 137 HIS H 19127 2 111 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 0.712 0.048 . . . 138 LYS N . 138 LYS H 19127 2 112 . 1 1 140 140 ASP N N 15 . 1 1 140 140 ASP H H 1 0.745 0.090 . . . 140 ASP N . 140 ASP H 19127 2 113 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.843 0.046 . . . 141 SER N . 141 SER H 19127 2 114 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.788 0.034 . . . 142 LEU N . 142 LEU H 19127 2 115 . 1 1 144 144 ALA N N 15 . 1 1 144 144 ALA H H 1 0.842 0.022 . . . 144 ALA N . 144 ALA H 19127 2 116 . 1 1 145 145 LYS N N 15 . 1 1 145 145 LYS H H 1 0.859 0.024 . . . 145 LYS N . 145 LYS H 19127 2 117 . 1 1 146 146 PHE N N 15 . 1 1 146 146 PHE H H 1 0.863 0.032 . . . 146 PHE N . 146 PHE H 19127 2 118 . 1 1 147 147 LYS N N 15 . 1 1 147 147 LYS H H 1 0.830 0.034 . . . 147 LYS N . 147 LYS H 19127 2 119 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.827 0.026 . . . 148 GLU N . 148 GLU H 19127 2 120 . 1 1 149 149 ALA N N 15 . 1 1 149 149 ALA H H 1 0.813 0.022 . . . 149 ALA N . 149 ALA H 19127 2 121 . 1 1 151 151 GLY N N 15 . 1 1 151 151 GLY H H 1 0.870 0.030 . . . 151 GLY N . 151 GLY H 19127 2 122 . 1 1 152 152 THR N N 15 . 1 1 152 152 THR H H 1 0.810 0.038 . . . 152 THR N . 152 THR H 19127 2 123 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 0.800 0.034 . . . 153 VAL N . 153 VAL H 19127 2 124 . 1 1 154 154 ARG N N 15 . 1 1 154 154 ARG H H 1 0.766 0.038 . . . 154 ARG N . 154 ARG H 19127 2 125 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 0.496 0.120 . . . 155 GLU N . 155 GLU H 19127 2 126 . 1 1 156 156 ILE N N 15 . 1 1 156 156 ILE H H 1 0.350 0.060 . . . 156 ILE N . 156 ILE H 19127 2 127 . 1 1 157 157 ASP N N 15 . 1 1 157 157 ASP H H 1 0.111 0.060 . . . 157 ASP N . 157 ASP H 19127 2 128 . 1 1 158 158 VAL N N 15 . 1 1 158 158 VAL H H 1 -0.313 0.040 . . . 158 VAL N . 158 VAL H 19127 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 19127 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 2 '2D 15N T1 measurement' . . . 19127 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLU N N 15 0.681 0.036 . . 3 GLU N 19127 1 2 . 1 1 4 4 ILE N N 15 0.748 0.018 . . 4 ILE N 19127 1 3 . 1 1 5 5 ASN N N 15 0.743 0.040 . . 5 ASN N 19127 1 4 . 1 1 6 6 ASN N N 15 0.653 0.044 . . 6 ASN N 19127 1 5 . 1 1 7 7 GLN N N 15 0.680 0.022 . . 7 GLN N 19127 1 6 . 1 1 8 8 ARG N N 15 0.658 0.046 . . 8 ARG N 19127 1 7 . 1 1 9 9 LYS N N 15 0.665 0.026 . . 9 LYS N 19127 1 8 . 1 1 10 10 ALA N N 15 0.687 0.018 . . 10 ALA N 19127 1 9 . 1 1 11 11 PHE N N 15 0.650 0.024 . . 11 PHE N 19127 1 10 . 1 1 12 12 LEU N N 15 0.669 0.030 . . 12 LEU N 19127 1 11 . 1 1 14 14 MET N N 15 0.686 0.028 . . 14 MET N 19127 1 12 . 1 1 15 15 LEU N N 15 0.651 0.024 . . 15 LEU N 19127 1 13 . 1 1 16 16 ALA N N 15 0.651 0.020 . . 16 ALA N 19127 1 14 . 1 1 17 17 TRP N N 15 0.649 0.024 . . 17 TRP N 19127 1 15 . 1 1 18 18 SER N N 15 0.639 0.030 . . 18 SER N 19127 1 16 . 1 1 19 19 GLU N N 15 0.623 0.032 . . 19 GLU N 19127 1 17 . 1 1 20 20 GLY N N 15 0.701 0.026 . . 20 GLY N 19127 1 18 . 1 1 21 21 THR N N 15 0.665 0.030 . . 21 THR N 19127 1 19 . 1 1 22 22 ASP N N 15 0.665 0.028 . . 22 ASP N 19127 1 20 . 1 1 24 24 GLY N N 15 0.676 0.028 . . 24 GLY N 19127 1 21 . 1 1 25 25 ARG N N 15 0.714 0.024 . . 25 ARG N 19127 1 22 . 1 1 26 26 GLN N N 15 0.761 0.028 . . 26 GLN N 19127 1 23 . 1 1 27 27 LYS N N 15 0.671 0.020 . . 27 LYS N 19127 1 24 . 1 1 28 28 THR N N 15 0.670 0.014 . . 28 THR N 19127 1 25 . 1 1 29 29 ARG N N 15 0.658 0.056 . . 29 ARG N 19127 1 26 . 1 1 30 30 ASN N N 15 0.647 0.026 . . 30 ASN N 19127 1 27 . 1 1 31 31 HIS N N 15 0.643 0.028 . . 31 HIS N 19127 1 28 . 1 1 32 32 GLY N N 15 0.613 0.046 . . 32 GLY N 19127 1 29 . 1 1 35 35 VAL N N 15 0.680 0.022 . . 35 VAL N 19127 1 30 . 1 1 36 36 ILE N N 15 0.634 0.052 . . 36 ILE N 19127 1 31 . 1 1 37 37 VAL N N 15 0.621 0.030 . . 37 VAL N 19127 1 32 . 1 1 39 39 GLY N N 15 0.647 0.024 . . 39 GLY N 19127 1 33 . 1 1 40 40 GLU N N 15 0.655 0.014 . . 40 GLU N 19127 1 34 . 1 1 42 42 PHE N N 15 0.710 0.038 . . 42 PHE N 19127 1 35 . 1 1 43 43 THR N N 15 0.719 0.048 . . 43 THR N 19127 1 36 . 1 1 44 44 ASP N N 15 0.685 0.028 . . 44 ASP N 19127 1 37 . 1 1 45 45 TYR N N 15 0.651 0.028 . . 45 TYR N 19127 1 38 . 1 1 46 46 SER N N 15 0.607 0.016 . . 46 SER N 19127 1 39 . 1 1 47 47 ASP N N 15 0.599 0.012 . . 47 ASP N 19127 1 40 . 1 1 48 48 HIS N N 15 0.630 0.036 . . 48 HIS N 19127 1 41 . 1 1 50 50 ARG N N 15 0.810 0.132 . . 50 ARG N 19127 1 42 . 1 1 51 51 LYS N N 15 0.709 0.028 . . 51 LYS N 19127 1 43 . 1 1 52 52 LEU N N 15 0.769 0.034 . . 52 LEU N 19127 1 44 . 1 1 53 53 VAL N N 15 0.710 0.112 . . 53 VAL N 19127 1 45 . 1 1 55 55 LEU N N 15 0.698 0.060 . . 55 LEU N 19127 1 46 . 1 1 58 58 LYS N N 15 0.755 0.024 . . 58 LYS N 19127 1 47 . 1 1 59 59 LEU N N 15 0.803 0.018 . . 59 LEU N 19127 1 48 . 1 1 60 60 LYS N N 15 0.710 0.024 . . 60 LYS N 19127 1 49 . 1 1 62 62 THR N N 15 0.668 0.044 . . 62 THR N 19127 1 50 . 1 1 63 63 GLY N N 15 0.625 0.032 . . 63 GLY N 19127 1 51 . 1 1 65 65 GLY N N 15 0.638 0.050 . . 65 GLY N 19127 1 52 . 1 1 66 66 ARG N N 15 0.596 0.050 . . 66 ARG N 19127 1 53 . 1 1 67 67 TYR N N 15 0.642 0.042 . . 67 TYR N 19127 1 54 . 1 1 69 69 LEU N N 15 0.674 0.032 . . 69 LEU N 19127 1 55 . 1 1 70 70 LEU N N 15 0.672 0.054 . . 70 LEU N 19127 1 56 . 1 1 71 71 SER N N 15 0.619 0.032 . . 71 SER N 19127 1 57 . 1 1 72 72 ARG N N 15 0.582 0.016 . . 72 ARG N 19127 1 58 . 1 1 73 73 TRP N N 15 0.622 0.022 . . 73 TRP N 19127 1 59 . 1 1 74 74 TRP N N 15 0.644 0.028 . . 74 TRP N 19127 1 60 . 1 1 75 75 ASP N N 15 0.629 0.018 . . 75 ASP N 19127 1 61 . 1 1 76 76 ALA N N 15 0.667 0.014 . . 76 ALA N 19127 1 62 . 1 1 77 77 TYR N N 15 0.658 0.022 . . 77 TYR N 19127 1 63 . 1 1 78 78 ARG N N 15 0.640 0.020 . . 78 ARG N 19127 1 64 . 1 1 79 79 LYS N N 15 0.641 0.016 . . 79 LYS N 19127 1 65 . 1 1 81 81 LEU N N 15 0.685 0.030 . . 81 LEU N 19127 1 66 . 1 1 82 82 GLY N N 15 0.670 0.020 . . 82 GLY N 19127 1 67 . 1 1 83 83 LEU N N 15 0.670 0.024 . . 83 LEU N 19127 1 68 . 1 1 84 84 LYS N N 15 0.708 0.042 . . 84 LYS N 19127 1 69 . 1 1 85 85 ASP N N 15 0.730 0.014 . . 85 ASP N 19127 1 70 . 1 1 87 87 SER N N 15 0.581 0.022 . . 87 SER N 19127 1 71 . 1 1 89 89 LYS N N 15 0.664 0.018 . . 89 LYS N 19127 1 72 . 1 1 90 90 SER N N 15 0.670 0.024 . . 90 SER N 19127 1 73 . 1 1 91 91 GLN N N 15 0.601 0.028 . . 91 GLN N 19127 1 74 . 1 1 92 92 ASP N N 15 0.636 0.022 . . 92 ASP N 19127 1 75 . 1 1 93 93 ALA N N 15 0.667 0.018 . . 93 ALA N 19127 1 76 . 1 1 95 95 ALA N N 15 0.626 0.018 . . 95 ALA N 19127 1 77 . 1 1 96 96 LEU N N 15 0.655 0.026 . . 96 LEU N 19127 1 78 . 1 1 97 97 GLN N N 15 0.683 0.026 . . 97 GLN N 19127 1 79 . 1 1 98 98 GLN N N 15 0.652 0.030 . . 98 GLN N 19127 1 80 . 1 1 99 99 ILE N N 15 0.701 0.038 . . 99 ILE N 19127 1 81 . 1 1 101 101 GLU N N 15 0.657 0.028 . . 101 GLU N 19127 1 82 . 1 1 102 102 ARG N N 15 0.656 0.022 . . 102 ARG N 19127 1 83 . 1 1 103 103 GLY N N 15 0.667 0.024 . . 103 GLY N 19127 1 84 . 1 1 104 104 ALA N N 15 0.697 0.028 . . 104 ALA N 19127 1 85 . 1 1 105 105 LEU N N 15 0.637 0.026 . . 105 LEU N 19127 1 86 . 1 1 107 107 MET N N 15 0.734 0.026 . . 107 MET N 19127 1 87 . 1 1 108 108 ILE N N 15 0.669 0.036 . . 108 ILE N 19127 1 88 . 1 1 109 109 ASP N N 15 0.655 0.020 . . 109 ASP N 19127 1 89 . 1 1 110 110 ARG N N 15 0.672 0.026 . . 110 ARG N 19127 1 90 . 1 1 112 112 ASP N N 15 0.650 0.026 . . 112 ASP N 19127 1 91 . 1 1 113 113 ILE N N 15 0.723 0.030 . . 113 ILE N 19127 1 92 . 1 1 115 115 GLN N N 15 0.713 0.024 . . 115 GLN N 19127 1 93 . 1 1 116 116 ALA N N 15 0.689 0.020 . . 116 ALA N 19127 1 94 . 1 1 117 117 ILE N N 15 0.713 0.032 . . 117 ILE N 19127 1 95 . 1 1 118 118 ASP N N 15 0.703 0.024 . . 118 ASP N 19127 1 96 . 1 1 119 119 ARG N N 15 0.684 0.028 . . 119 ARG N 19127 1 97 . 1 1 120 120 CYS N N 15 0.690 0.030 . . 120 CYS N 19127 1 98 . 1 1 121 121 SER N N 15 0.677 0.024 . . 121 SER N 19127 1 99 . 1 1 122 122 ASN N N 15 0.656 0.020 . . 122 ASN N 19127 1 100 . 1 1 124 124 TRP N N 15 0.757 0.042 . . 124 TRP N 19127 1 101 . 1 1 126 126 SER N N 15 0.615 0.026 . . 126 SER N 19127 1 102 . 1 1 127 127 LEU N N 15 0.627 0.024 . . 127 LEU N 19127 1 103 . 1 1 129 129 GLY N N 15 0.715 0.084 . . 129 GLY N 19127 1 104 . 1 1 130 130 ALA N N 15 0.643 0.026 . . 130 ALA N 19127 1 105 . 1 1 131 131 GLY N N 15 0.617 0.026 . . 131 GLY N 19127 1 106 . 1 1 132 132 TYR N N 15 0.626 0.016 . . 132 TYR N 19127 1 107 . 1 1 133 133 GLY N N 15 0.582 0.018 . . 133 GLY N 19127 1 108 . 1 1 134 134 GLN N N 15 0.590 0.022 . . 134 GLN N 19127 1 109 . 1 1 135 135 PHE N N 15 0.630 0.012 . . 135 PHE N 19127 1 110 . 1 1 137 137 HIS N N 15 0.608 0.034 . . 137 HIS N 19127 1 111 . 1 1 138 138 LYS N N 15 0.631 0.028 . . 138 LYS N 19127 1 112 . 1 1 140 140 ASP N N 15 0.656 0.040 . . 140 ASP N 19127 1 113 . 1 1 141 141 SER N N 15 0.622 0.026 . . 141 SER N 19127 1 114 . 1 1 142 142 LEU N N 15 0.654 0.028 . . 142 LEU N 19127 1 115 . 1 1 144 144 ALA N N 15 0.643 0.014 . . 144 ALA N 19127 1 116 . 1 1 145 145 LYS N N 15 0.665 0.020 . . 145 LYS N 19127 1 117 . 1 1 146 146 PHE N N 15 0.648 0.024 . . 146 PHE N 19127 1 118 . 1 1 147 147 LYS N N 15 0.630 0.028 . . 147 LYS N 19127 1 119 . 1 1 148 148 GLU N N 15 0.651 0.018 . . 148 GLU N 19127 1 120 . 1 1 149 149 ALA N N 15 0.673 0.018 . . 149 ALA N 19127 1 121 . 1 1 151 151 GLY N N 15 0.658 0.024 . . 151 GLY N 19127 1 122 . 1 1 152 152 THR N N 15 0.684 0.036 . . 152 THR N 19127 1 123 . 1 1 153 153 VAL N N 15 0.707 0.026 . . 153 VAL N 19127 1 124 . 1 1 154 154 ARG N N 15 0.686 0.030 . . 154 ARG N 19127 1 125 . 1 1 155 155 GLU N N 15 0.619 0.100 . . 155 GLU N 19127 1 126 . 1 1 156 156 ILE N N 15 0.614 0.060 . . 156 ILE N 19127 1 127 . 1 1 157 157 ASP N N 15 0.656 0.040 . . 157 ASP N 19127 1 128 . 1 1 158 158 VAL N N 15 0.938 0.060 . . 158 VAL N 19127 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 19127 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 '2D 15N T1 measurement' . . . 19127 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLU N N 15 1.068 0.020 . . 3 GLU N 19127 2 2 . 1 1 4 4 ILE N N 15 1.163 0.018 . . 4 ILE N 19127 2 3 . 1 1 5 5 ASN N N 15 1.141 0.056 . . 5 ASN N 19127 2 4 . 1 1 6 6 ASN N N 15 1.109 0.050 . . 6 ASN N 19127 2 5 . 1 1 7 7 GLN N N 15 1.136 0.026 . . 7 GLN N 19127 2 6 . 1 1 8 8 ARG N N 15 1.111 0.050 . . 8 ARG N 19127 2 7 . 1 1 9 9 LYS N N 15 1.136 0.032 . . 9 LYS N 19127 2 8 . 1 1 10 10 ALA N N 15 1.112 0.018 . . 10 ALA N 19127 2 9 . 1 1 11 11 PHE N N 15 1.112 0.028 . . 11 PHE N 19127 2 10 . 1 1 12 12 LEU N N 15 1.149 0.028 . . 12 LEU N 19127 2 11 . 1 1 14 14 MET N N 15 1.092 0.032 . . 14 MET N 19127 2 12 . 1 1 15 15 LEU N N 15 1.076 0.028 . . 15 LEU N 19127 2 13 . 1 1 16 16 ALA N N 15 1.101 0.026 . . 16 ALA N 19127 2 14 . 1 1 17 17 TRP N N 15 1.128 0.026 . . 17 TRP N 19127 2 15 . 1 1 18 18 SER N N 15 1.054 0.038 . . 18 SER N 19127 2 16 . 1 1 19 19 GLU N N 15 1.106 0.038 . . 19 GLU N 19127 2 17 . 1 1 20 20 GLY N N 15 1.188 0.036 . . 20 GLY N 19127 2 18 . 1 1 21 21 THR N N 15 1.099 0.032 . . 21 THR N 19127 2 19 . 1 1 22 22 ASP N N 15 1.134 0.022 . . 22 ASP N 19127 2 20 . 1 1 24 24 GLY N N 15 1.119 0.032 . . 24 GLY N 19127 2 21 . 1 1 25 25 ARG N N 15 1.168 0.024 . . 25 ARG N 19127 2 22 . 1 1 26 26 GLN N N 15 1.270 0.032 . . 26 GLN N 19127 2 23 . 1 1 27 27 LYS N N 15 1.106 0.030 . . 27 LYS N 19127 2 24 . 1 1 28 28 THR N N 15 1.116 0.016 . . 28 THR N 19127 2 25 . 1 1 29 29 ARG N N 15 1.168 0.074 . . 29 ARG N 19127 2 26 . 1 1 30 30 ASN N N 15 1.096 0.032 . . 30 ASN N 19127 2 27 . 1 1 31 31 HIS N N 15 1.094 0.032 . . 31 HIS N 19127 2 28 . 1 1 32 32 GLY N N 15 1.070 0.066 . . 32 GLY N 19127 2 29 . 1 1 35 35 VAL N N 15 1.176 0.024 . . 35 VAL N 19127 2 30 . 1 1 36 36 ILE N N 15 1.052 0.074 . . 36 ILE N 19127 2 31 . 1 1 37 37 VAL N N 15 1.080 0.034 . . 37 VAL N 19127 2 32 . 1 1 39 39 GLY N N 15 1.081 0.034 . . 39 GLY N 19127 2 33 . 1 1 40 40 GLU N N 15 1.109 0.016 . . 40 GLU N 19127 2 34 . 1 1 42 42 PHE N N 15 1.197 0.036 . . 42 PHE N 19127 2 35 . 1 1 43 43 THR N N 15 1.173 0.054 . . 43 THR N 19127 2 36 . 1 1 44 44 ASP N N 15 1.143 0.030 . . 44 ASP N 19127 2 37 . 1 1 45 45 TYR N N 15 1.168 0.032 . . 45 TYR N 19127 2 38 . 1 1 46 46 SER N N 15 1.035 0.020 . . 46 SER N 19127 2 39 . 1 1 47 47 ASP N N 15 1.006 0.012 . . 47 ASP N 19127 2 40 . 1 1 48 48 HIS N N 15 1.086 0.072 . . 48 HIS N 19127 2 41 . 1 1 50 50 ARG N N 15 1.382 0.464 . . 50 ARG N 19127 2 42 . 1 1 51 51 LYS N N 15 1.177 0.024 . . 51 LYS N 19127 2 43 . 1 1 52 52 LEU N N 15 1.275 0.058 . . 52 LEU N 19127 2 44 . 1 1 53 53 VAL N N 15 1.188 0.080 . . 53 VAL N 19127 2 45 . 1 1 55 55 LEU N N 15 1.176 0.090 . . 55 LEU N 19127 2 46 . 1 1 58 58 LYS N N 15 1.219 0.024 . . 58 LYS N 19127 2 47 . 1 1 59 59 LEU N N 15 1.234 0.018 . . 59 LEU N 19127 2 48 . 1 1 60 60 LYS N N 15 1.176 0.028 . . 60 LYS N 19127 2 49 . 1 1 62 62 THR N N 15 1.198 0.056 . . 62 THR N 19127 2 50 . 1 1 63 63 GLY N N 15 1.075 0.038 . . 63 GLY N 19127 2 51 . 1 1 65 65 GLY N N 15 1.120 0.062 . . 65 GLY N 19127 2 52 . 1 1 66 66 ARG N N 15 1.010 0.056 . . 66 ARG N 19127 2 53 . 1 1 67 67 TYR N N 15 1.095 0.048 . . 67 TYR N 19127 2 54 . 1 1 69 69 LEU N N 15 1.083 0.034 . . 69 LEU N 19127 2 55 . 1 1 70 70 LEU N N 15 1.100 0.068 . . 70 LEU N 19127 2 56 . 1 1 71 71 SER N N 15 1.069 0.040 . . 71 SER N 19127 2 57 . 1 1 72 72 ARG N N 15 0.992 0.018 . . 72 ARG N 19127 2 58 . 1 1 73 73 TRP N N 15 1.081 0.022 . . 73 TRP N 19127 2 59 . 1 1 74 74 TRP N N 15 1.070 0.030 . . 74 TRP N 19127 2 60 . 1 1 75 75 ASP N N 15 1.104 0.020 . . 75 ASP N 19127 2 61 . 1 1 76 76 ALA N N 15 1.089 0.014 . . 76 ALA N 19127 2 62 . 1 1 77 77 TYR N N 15 1.112 0.024 . . 77 TYR N 19127 2 63 . 1 1 78 78 ARG N N 15 1.047 0.024 . . 78 ARG N 19127 2 64 . 1 1 79 79 LYS N N 15 1.055 0.016 . . 79 LYS N 19127 2 65 . 1 1 81 81 LEU N N 15 1.147 0.032 . . 81 LEU N 19127 2 66 . 1 1 82 82 GLY N N 15 1.110 0.022 . . 82 GLY N 19127 2 67 . 1 1 83 83 LEU N N 15 1.097 0.024 . . 83 LEU N 19127 2 68 . 1 1 84 84 LYS N N 15 1.218 0.046 . . 84 LYS N 19127 2 69 . 1 1 85 85 ASP N N 15 1.190 0.016 . . 85 ASP N 19127 2 70 . 1 1 87 87 SER N N 15 1.000 0.026 . . 87 SER N 19127 2 71 . 1 1 89 89 LYS N N 15 1.132 0.020 . . 89 LYS N 19127 2 72 . 1 1 90 90 SER N N 15 1.102 0.022 . . 90 SER N 19127 2 73 . 1 1 91 91 GLN N N 15 1.001 0.034 . . 91 GLN N 19127 2 74 . 1 1 92 92 ASP N N 15 1.093 0.028 . . 92 ASP N 19127 2 75 . 1 1 93 93 ALA N N 15 1.109 0.018 . . 93 ALA N 19127 2 76 . 1 1 95 95 ALA N N 15 1.058 0.020 . . 95 ALA N 19127 2 77 . 1 1 96 96 LEU N N 15 1.163 0.032 . . 96 LEU N 19127 2 78 . 1 1 97 97 GLN N N 15 1.094 0.024 . . 97 GLN N 19127 2 79 . 1 1 98 98 GLN N N 15 1.115 0.032 . . 98 GLN N 19127 2 80 . 1 1 99 99 ILE N N 15 1.110 0.038 . . 99 ILE N 19127 2 81 . 1 1 101 101 GLU N N 15 1.137 0.028 . . 101 GLU N 19127 2 82 . 1 1 102 102 ARG N N 15 1.120 0.030 . . 102 ARG N 19127 2 83 . 1 1 103 103 GLY N N 15 1.107 0.022 . . 103 GLY N 19127 2 84 . 1 1 104 104 ALA N N 15 1.132 0.032 . . 104 ALA N 19127 2 85 . 1 1 105 105 LEU N N 15 1.192 0.026 . . 105 LEU N 19127 2 86 . 1 1 107 107 MET N N 15 1.095 0.030 . . 107 MET N 19127 2 87 . 1 1 108 108 ILE N N 15 1.251 0.028 . . 108 ILE N 19127 2 88 . 1 1 109 109 ASP N N 15 1.211 0.040 . . 109 ASP N 19127 2 89 . 1 1 110 110 ARG N N 15 1.074 0.024 . . 110 ARG N 19127 2 90 . 1 1 112 112 ASP N N 15 1.122 0.026 . . 112 ASP N 19127 2 91 . 1 1 113 113 ILE N N 15 1.122 0.030 . . 113 ILE N 19127 2 92 . 1 1 115 115 GLN N N 15 1.217 0.030 . . 115 GLN N 19127 2 93 . 1 1 116 116 ALA N N 15 1.169 0.028 . . 116 ALA N 19127 2 94 . 1 1 117 117 ILE N N 15 1.155 0.024 . . 117 ILE N 19127 2 95 . 1 1 118 118 ASP N N 15 1.230 0.038 . . 118 ASP N 19127 2 96 . 1 1 119 119 ARG N N 15 1.200 0.026 . . 119 ARG N 19127 2 97 . 1 1 120 120 CYS N N 15 1.109 0.038 . . 120 CYS N 19127 2 98 . 1 1 121 121 SER N N 15 1.198 0.034 . . 121 SER N 19127 2 99 . 1 1 122 122 ASN N N 15 1.150 0.028 . . 122 ASN N 19127 2 100 . 1 1 124 124 TRP N N 15 1.047 0.026 . . 124 TRP N 19127 2 101 . 1 1 126 126 SER N N 15 1.262 0.052 . . 126 SER N 19127 2 102 . 1 1 127 127 LEU N N 15 1.043 0.038 . . 127 LEU N 19127 2 103 . 1 1 129 129 GLY N N 15 1.074 0.028 . . 129 GLY N 19127 2 104 . 1 1 130 130 ALA N N 15 0.978 0.056 . . 130 ALA N 19127 2 105 . 1 1 131 131 GLY N N 15 0.971 0.056 . . 131 GLY N 19127 2 106 . 1 1 132 132 TYR N N 15 0.929 0.016 . . 132 TYR N 19127 2 107 . 1 1 133 133 GLY N N 15 0.891 0.022 . . 133 GLY N 19127 2 108 . 1 1 134 134 GLN N N 15 0.954 0.028 . . 134 GLN N 19127 2 109 . 1 1 135 135 PHE N N 15 0.960 0.014 . . 135 PHE N 19127 2 110 . 1 1 137 137 HIS N N 15 0.916 0.044 . . 137 HIS N 19127 2 111 . 1 1 138 138 LYS N N 15 1.016 0.050 . . 138 LYS N 19127 2 112 . 1 1 140 140 ASP N N 15 1.060 0.134 . . 140 ASP N 19127 2 113 . 1 1 141 141 SER N N 15 1.080 0.054 . . 141 SER N 19127 2 114 . 1 1 142 142 LEU N N 15 1.099 0.032 . . 142 LEU N 19127 2 115 . 1 1 144 144 ALA N N 15 1.062 0.018 . . 144 ALA N 19127 2 116 . 1 1 145 145 LYS N N 15 1.087 0.020 . . 145 LYS N 19127 2 117 . 1 1 146 146 PHE N N 15 1.067 0.030 . . 146 PHE N 19127 2 118 . 1 1 147 147 LYS N N 15 1.084 0.030 . . 147 LYS N 19127 2 119 . 1 1 148 148 GLU N N 15 1.076 0.020 . . 148 GLU N 19127 2 120 . 1 1 149 149 ALA N N 15 1.145 0.018 . . 149 ALA N 19127 2 121 . 1 1 151 151 GLY N N 15 1.108 0.028 . . 151 GLY N 19127 2 122 . 1 1 152 152 THR N N 15 1.154 0.046 . . 152 THR N 19127 2 123 . 1 1 153 153 VAL N N 15 1.176 0.028 . . 153 VAL N 19127 2 124 . 1 1 154 154 ARG N N 15 1.131 0.034 . . 154 ARG N 19127 2 125 . 1 1 155 155 GLU N N 15 0.868 0.010 . . 155 GLU N 19127 2 126 . 1 1 156 156 ILE N N 15 0.743 0.004 . . 156 ILE N 19127 2 127 . 1 1 157 157 ASP N N 15 0.768 0.004 . . 157 ASP N 19127 2 128 . 1 1 158 158 VAL N N 15 1.002 0.004 . . 158 VAL N 19127 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 19127 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 4 '2D 15N T2 measurement' . . . 19127 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLU N N 15 0.095 0.004 . . . . 3 GLU N 19127 1 2 . 1 1 4 4 ILE N N 15 0.096 0.002 . . . . 4 ILE N 19127 1 3 . 1 1 5 5 ASN N N 15 0.099 0.004 . . . . 5 ASN N 19127 1 4 . 1 1 6 6 ASN N N 15 0.066 0.005 . . . . 6 ASN N 19127 1 5 . 1 1 7 7 GLN N N 15 0.075 0.002 . . . . 7 GLN N 19127 1 6 . 1 1 8 8 ARG N N 15 0.072 0.004 . . . . 8 ARG N 19127 1 7 . 1 1 9 9 LYS N N 15 0.070 0.002 . . . . 9 LYS N 19127 1 8 . 1 1 10 10 ALA N N 15 0.072 0.002 . . . . 10 ALA N 19127 1 9 . 1 1 11 11 PHE N N 15 0.075 0.002 . . . . 11 PHE N 19127 1 10 . 1 1 12 12 LEU N N 15 0.072 0.002 . . . . 12 LEU N 19127 1 11 . 1 1 14 14 MET N N 15 0.071 0.002 . . . . 14 MET N 19127 1 12 . 1 1 15 15 LEU N N 15 0.078 0.003 . . . . 15 LEU N 19127 1 13 . 1 1 16 16 ALA N N 15 0.071 0.002 . . . . 16 ALA N 19127 1 14 . 1 1 17 17 TRP N N 15 0.070 0.002 . . . . 17 TRP N 19127 1 15 . 1 1 18 18 SER N N 15 0.064 0.003 . . . . 18 SER N 19127 1 16 . 1 1 19 19 GLU N N 15 0.072 0.003 . . . . 19 GLU N 19127 1 17 . 1 1 20 20 GLY N N 15 0.069 0.002 . . . . 20 GLY N 19127 1 18 . 1 1 21 21 THR N N 15 0.074 0.003 . . . . 21 THR N 19127 1 19 . 1 1 22 22 ASP N N 15 0.075 0.002 . . . . 22 ASP N 19127 1 20 . 1 1 24 24 GLY N N 15 0.077 0.003 . . . . 24 GLY N 19127 1 21 . 1 1 25 25 ARG N N 15 0.085 0.002 . . . . 25 ARG N 19127 1 22 . 1 1 26 26 GLN N N 15 0.081 0.003 . . . . 26 GLN N 19127 1 23 . 1 1 27 27 LYS N N 15 0.074 0.002 . . . . 27 LYS N 19127 1 24 . 1 1 28 28 THR N N 15 0.088 0.002 . . . . 28 THR N 19127 1 25 . 1 1 29 29 ARG N N 15 0.086 0.006 . . . . 29 ARG N 19127 1 26 . 1 1 30 30 ASN N N 15 0.075 0.002 . . . . 30 ASN N 19127 1 27 . 1 1 31 31 HIS N N 15 0.067 0.002 . . . . 31 HIS N 19127 1 28 . 1 1 32 32 GLY N N 15 0.071 0.004 . . . . 32 GLY N 19127 1 29 . 1 1 35 35 VAL N N 15 0.067 0.002 . . . . 35 VAL N 19127 1 30 . 1 1 36 36 ILE N N 15 0.071 0.004 . . . . 36 ILE N 19127 1 31 . 1 1 37 37 VAL N N 15 0.079 0.003 . . . . 37 VAL N 19127 1 32 . 1 1 39 39 GLY N N 15 0.082 0.002 . . . . 39 GLY N 19127 1 33 . 1 1 40 40 GLU N N 15 0.080 0.002 . . . . 40 GLU N 19127 1 34 . 1 1 42 42 PHE N N 15 0.068 0.003 . . . . 42 PHE N 19127 1 35 . 1 1 43 43 THR N N 15 0.073 0.004 . . . . 43 THR N 19127 1 36 . 1 1 44 44 ASP N N 15 0.078 0.003 . . . . 44 ASP N 19127 1 37 . 1 1 45 45 TYR N N 15 0.080 0.003 . . . . 45 TYR N 19127 1 38 . 1 1 46 46 SER N N 15 0.067 0.002 . . . . 46 SER N 19127 1 39 . 1 1 47 47 ASP N N 15 0.073 0.001 . . . . 47 ASP N 19127 1 40 . 1 1 48 48 HIS N N 15 0.080 0.004 . . . . 48 HIS N 19127 1 41 . 1 1 50 50 ARG N N 15 0.066 0.008 . . . . 50 ARG N 19127 1 42 . 1 1 51 51 LYS N N 15 0.072 0.002 . . . . 51 LYS N 19127 1 43 . 1 1 52 52 LEU N N 15 0.062 0.003 . . . . 52 LEU N 19127 1 44 . 1 1 53 53 VAL N N 15 0.039 0.006 . . . . 53 VAL N 19127 1 45 . 1 1 55 55 LEU N N 15 0.063 0.004 . . . . 55 LEU N 19127 1 46 . 1 1 58 58 LYS N N 15 0.089 0.002 . . . . 58 LYS N 19127 1 47 . 1 1 59 59 LEU N N 15 0.091 0.002 . . . . 59 LEU N 19127 1 48 . 1 1 60 60 LYS N N 15 0.083 0.002 . . . . 60 LYS N 19127 1 49 . 1 1 62 62 THR N N 15 0.081 0.004 . . . . 62 THR N 19127 1 50 . 1 1 63 63 GLY N N 15 0.073 0.003 . . . . 63 GLY N 19127 1 51 . 1 1 65 65 GLY N N 15 0.074 0.004 . . . . 65 GLY N 19127 1 52 . 1 1 66 66 ARG N N 15 0.067 0.005 . . . . 66 ARG N 19127 1 53 . 1 1 67 67 TYR N N 15 0.078 0.004 . . . . 67 TYR N 19127 1 54 . 1 1 69 69 LEU N N 15 0.068 0.003 . . . . 69 LEU N 19127 1 55 . 1 1 70 70 LEU N N 15 0.071 0.005 . . . . 70 LEU N 19127 1 56 . 1 1 71 71 SER N N 15 0.068 0.003 . . . . 71 SER N 19127 1 57 . 1 1 72 72 ARG N N 15 0.070 0.002 . . . . 72 ARG N 19127 1 58 . 1 1 73 73 TRP N N 15 0.075 0.002 . . . . 73 TRP N 19127 1 59 . 1 1 74 74 TRP N N 15 0.072 0.003 . . . . 74 TRP N 19127 1 60 . 1 1 75 75 ASP N N 15 0.073 0.002 . . . . 75 ASP N 19127 1 61 . 1 1 76 76 ALA N N 15 0.079 0.001 . . . . 76 ALA N 19127 1 62 . 1 1 77 77 TYR N N 15 0.078 0.002 . . . . 77 TYR N 19127 1 63 . 1 1 78 78 ARG N N 15 0.071 0.002 . . . . 78 ARG N 19127 1 64 . 1 1 79 79 LYS N N 15 0.078 0.002 . . . . 79 LYS N 19127 1 65 . 1 1 81 81 LEU N N 15 0.082 0.003 . . . . 81 LEU N 19127 1 66 . 1 1 82 82 GLY N N 15 0.084 0.002 . . . . 82 GLY N 19127 1 67 . 1 1 83 83 LEU N N 15 0.080 0.002 . . . . 83 LEU N 19127 1 68 . 1 1 84 84 LYS N N 15 0.074 0.004 . . . . 84 LYS N 19127 1 69 . 1 1 85 85 ASP N N 15 0.075 0.001 . . . . 85 ASP N 19127 1 70 . 1 1 87 87 SER N N 15 0.072 0.003 . . . . 87 SER N 19127 1 71 . 1 1 89 89 LYS N N 15 0.068 0.002 . . . . 89 LYS N 19127 1 72 . 1 1 90 90 SER N N 15 0.057 0.002 . . . . 90 SER N 19127 1 73 . 1 1 91 91 GLN N N 15 0.072 0.003 . . . . 91 GLN N 19127 1 74 . 1 1 92 92 ASP N N 15 0.069 0.002 . . . . 92 ASP N 19127 1 75 . 1 1 93 93 ALA N N 15 0.072 0.002 . . . . 93 ALA N 19127 1 76 . 1 1 95 95 ALA N N 15 0.073 0.002 . . . . 95 ALA N 19127 1 77 . 1 1 96 96 LEU N N 15 0.074 0.002 . . . . 96 LEU N 19127 1 78 . 1 1 97 97 GLN N N 15 0.070 0.002 . . . . 97 GLN N 19127 1 79 . 1 1 98 98 GLN N N 15 0.074 0.003 . . . . 98 GLN N 19127 1 80 . 1 1 99 99 ILE N N 15 0.091 0.004 . . . . 99 ILE N 19127 1 81 . 1 1 101 101 GLU N N 15 0.072 0.003 . . . . 101 GLU N 19127 1 82 . 1 1 102 102 ARG N N 15 0.080 0.002 . . . . 102 ARG N 19127 1 83 . 1 1 103 103 GLY N N 15 0.070 0.002 . . . . 103 GLY N 19127 1 84 . 1 1 104 104 ALA N N 15 0.067 0.002 . . . . 104 ALA N 19127 1 85 . 1 1 105 105 LEU N N 15 0.071 0.002 . . . . 105 LEU N 19127 1 86 . 1 1 107 107 MET N N 15 0.075 0.002 . . . . 107 MET N 19127 1 87 . 1 1 108 108 ILE N N 15 0.073 0.004 . . . . 108 ILE N 19127 1 88 . 1 1 109 109 ASP N N 15 0.073 0.002 . . . . 109 ASP N 19127 1 89 . 1 1 110 110 ARG N N 15 0.076 0.002 . . . . 110 ARG N 19127 1 90 . 1 1 112 112 ASP N N 15 0.077 0.003 . . . . 112 ASP N 19127 1 91 . 1 1 113 113 ILE N N 15 0.074 0.002 . . . . 113 ILE N 19127 1 92 . 1 1 115 115 GLN N N 15 0.072 0.002 . . . . 115 GLN N 19127 1 93 . 1 1 116 116 ALA N N 15 0.073 0.002 . . . . 116 ALA N 19127 1 94 . 1 1 117 117 ILE N N 15 0.071 0.003 . . . . 117 ILE N 19127 1 95 . 1 1 118 118 ASP N N 15 0.066 0.002 . . . . 118 ASP N 19127 1 96 . 1 1 119 119 ARG N N 15 0.069 0.002 . . . . 119 ARG N 19127 1 97 . 1 1 120 120 CYS N N 15 0.078 0.003 . . . . 120 CYS N 19127 1 98 . 1 1 121 121 SER N N 15 0.058 0.002 . . . . 121 SER N 19127 1 99 . 1 1 122 122 ASN N N 15 0.057 0.002 . . . . 122 ASN N 19127 1 100 . 1 1 124 124 TRP N N 15 0.073 0.004 . . . . 124 TRP N 19127 1 101 . 1 1 126 126 SER N N 15 0.060 0.002 . . . . 126 SER N 19127 1 102 . 1 1 127 127 LEU N N 15 0.060 0.002 . . . . 127 LEU N 19127 1 103 . 1 1 129 129 GLY N N 15 0.043 0.005 . . . . 129 GLY N 19127 1 104 . 1 1 130 130 ALA N N 15 0.073 0.002 . . . . 130 ALA N 19127 1 105 . 1 1 131 131 GLY N N 15 0.048 0.002 . . . . 131 GLY N 19127 1 106 . 1 1 132 132 TYR N N 15 0.081 0.002 . . . . 132 TYR N 19127 1 107 . 1 1 133 133 GLY N N 15 0.083 0.002 . . . . 133 GLY N 19127 1 108 . 1 1 134 134 GLN N N 15 0.081 0.002 . . . . 134 GLN N 19127 1 109 . 1 1 135 135 PHE N N 15 0.089 0.001 . . . . 135 PHE N 19127 1 110 . 1 1 137 137 HIS N N 15 0.041 0.002 . . . . 137 HIS N 19127 1 111 . 1 1 138 138 LYS N N 15 0.068 0.003 . . . . 138 LYS N 19127 1 112 . 1 1 140 140 ASP N N 15 0.052 0.003 . . . . 140 ASP N 19127 1 113 . 1 1 141 141 SER N N 15 0.073 0.003 . . . . 141 SER N 19127 1 114 . 1 1 142 142 LEU N N 15 0.075 0.003 . . . . 142 LEU N 19127 1 115 . 1 1 144 144 ALA N N 15 0.073 0.002 . . . . 144 ALA N 19127 1 116 . 1 1 145 145 LYS N N 15 0.075 0.002 . . . . 145 LYS N 19127 1 117 . 1 1 146 146 PHE N N 15 0.077 0.002 . . . . 146 PHE N 19127 1 118 . 1 1 147 147 LYS N N 15 0.074 0.003 . . . . 147 LYS N 19127 1 119 . 1 1 148 148 GLU N N 15 0.081 0.002 . . . . 148 GLU N 19127 1 120 . 1 1 149 149 ALA N N 15 0.079 0.002 . . . . 149 ALA N 19127 1 121 . 1 1 151 151 GLY N N 15 0.080 0.003 . . . . 151 GLY N 19127 1 122 . 1 1 152 152 THR N N 15 0.076 0.003 . . . . 152 THR N 19127 1 123 . 1 1 153 153 VAL N N 15 0.081 0.002 . . . . 153 VAL N 19127 1 124 . 1 1 154 154 ARG N N 15 0.080 0.003 . . . . 154 ARG N 19127 1 125 . 1 1 155 155 GLU N N 15 0.133 0.020 . . . . 155 GLU N 19127 1 126 . 1 1 156 156 ILE N N 15 0.225 0.020 . . . . 156 ILE N 19127 1 127 . 1 1 157 157 ASP N N 15 0.289 0.020 . . . . 157 ASP N 19127 1 128 . 1 1 158 158 VAL N N 15 0.595 0.050 . . . . 158 VAL N 19127 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 19127 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 '2D 15N T2 measurement' . . . 19127 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 3 3 GLU N N 15 0.068 0.001 . . . . 3 GLU N 19127 2 2 . 1 1 4 4 ILE N N 15 0.072 0.001 . . . . 4 ILE N 19127 2 3 . 1 1 5 5 ASN N N 15 0.072 0.003 . . . . 5 ASN N 19127 2 4 . 1 1 6 6 ASN N N 15 0.055 0.003 . . . . 6 ASN N 19127 2 5 . 1 1 7 7 GLN N N 15 0.055 0.001 . . . . 7 GLN N 19127 2 6 . 1 1 8 8 ARG N N 15 0.054 0.002 . . . . 8 ARG N 19127 2 7 . 1 1 9 9 LYS N N 15 0.051 0.002 . . . . 9 LYS N 19127 2 8 . 1 1 10 10 ALA N N 15 0.050 0.001 . . . . 10 ALA N 19127 2 9 . 1 1 11 11 PHE N N 15 0.054 0.002 . . . . 11 PHE N 19127 2 10 . 1 1 12 12 LEU N N 15 0.053 0.002 . . . . 12 LEU N 19127 2 11 . 1 1 14 14 MET N N 15 0.062 0.002 . . . . 14 MET N 19127 2 12 . 1 1 15 15 LEU N N 15 0.057 0.002 . . . . 15 LEU N 19127 2 13 . 1 1 16 16 ALA N N 15 0.051 0.001 . . . . 16 ALA N 19127 2 14 . 1 1 17 17 TRP N N 15 0.051 0.001 . . . . 17 TRP N 19127 2 15 . 1 1 18 18 SER N N 15 0.051 0.003 . . . . 18 SER N 19127 2 16 . 1 1 19 19 GLU N N 15 0.055 0.002 . . . . 19 GLU N 19127 2 17 . 1 1 20 20 GLY N N 15 0.048 0.002 . . . . 20 GLY N 19127 2 18 . 1 1 21 21 THR N N 15 0.047 0.002 . . . . 21 THR N 19127 2 19 . 1 1 22 22 ASP N N 15 0.055 0.001 . . . . 22 ASP N 19127 2 20 . 1 1 24 24 GLY N N 15 0.053 0.002 . . . . 24 GLY N 19127 2 21 . 1 1 25 25 ARG N N 15 0.061 0.001 . . . . 25 ARG N 19127 2 22 . 1 1 26 26 GLN N N 15 0.065 0.002 . . . . 26 GLN N 19127 2 23 . 1 1 27 27 LYS N N 15 0.064 0.002 . . . . 27 LYS N 19127 2 24 . 1 1 28 28 THR N N 15 0.071 0.001 . . . . 28 THR N 19127 2 25 . 1 1 29 29 ARG N N 15 0.056 0.003 . . . . 29 ARG N 19127 2 26 . 1 1 30 30 ASN N N 15 0.055 0.002 . . . . 30 ASN N 19127 2 27 . 1 1 31 31 HIS N N 15 0.051 0.002 . . . . 31 HIS N 19127 2 28 . 1 1 32 32 GLY N N 15 0.050 0.004 . . . . 32 GLY N 19127 2 29 . 1 1 35 35 VAL N N 15 0.049 0.001 . . . . 35 VAL N 19127 2 30 . 1 1 36 36 ILE N N 15 0.051 0.004 . . . . 36 ILE N 19127 2 31 . 1 1 37 37 VAL N N 15 0.052 0.002 . . . . 37 VAL N 19127 2 32 . 1 1 39 39 GLY N N 15 0.050 0.002 . . . . 39 GLY N 19127 2 33 . 1 1 40 40 GLU N N 15 0.057 0.001 . . . . 40 GLU N 19127 2 34 . 1 1 42 42 PHE N N 15 0.048 0.002 . . . . 42 PHE N 19127 2 35 . 1 1 43 43 THR N N 15 0.055 0.003 . . . . 43 THR N 19127 2 36 . 1 1 44 44 ASP N N 15 0.071 0.002 . . . . 44 ASP N 19127 2 37 . 1 1 45 45 TYR N N 15 0.062 0.002 . . . . 45 TYR N 19127 2 38 . 1 1 46 46 SER N N 15 0.050 0.001 . . . . 46 SER N 19127 2 39 . 1 1 47 47 ASP N N 15 0.058 0.001 . . . . 47 ASP N 19127 2 40 . 1 1 48 48 HIS N N 15 0.122 0.006 . . . . 48 HIS N 19127 2 41 . 1 1 50 50 ARG N N 15 0.047 0.013 . . . . 50 ARG N 19127 2 42 . 1 1 51 51 LYS N N 15 0.052 0.001 . . . . 51 LYS N 19127 2 43 . 1 1 52 52 LEU N N 15 0.041 0.002 . . . . 52 LEU N 19127 2 44 . 1 1 53 53 VAL N N 15 0.031 0.003 . . . . 53 VAL N 19127 2 45 . 1 1 55 55 LEU N N 15 0.032 0.004 . . . . 55 LEU N 19127 2 46 . 1 1 58 58 LYS N N 15 0.070 0.001 . . . . 58 LYS N 19127 2 47 . 1 1 59 59 LEU N N 15 0.065 0.001 . . . . 59 LEU N 19127 2 48 . 1 1 60 60 LYS N N 15 0.054 0.001 . . . . 60 LYS N 19127 2 49 . 1 1 62 62 THR N N 15 0.057 0.003 . . . . 62 THR N 19127 2 50 . 1 1 63 63 GLY N N 15 0.053 0.002 . . . . 63 GLY N 19127 2 51 . 1 1 65 65 GLY N N 15 0.046 0.004 . . . . 65 GLY N 19127 2 52 . 1 1 66 66 ARG N N 15 0.050 0.004 . . . . 66 ARG N 19127 2 53 . 1 1 67 67 TYR N N 15 0.055 0.002 . . . . 67 TYR N 19127 2 54 . 1 1 69 69 LEU N N 15 0.062 0.003 . . . . 69 LEU N 19127 2 55 . 1 1 70 70 LEU N N 15 0.043 0.004 . . . . 70 LEU N 19127 2 56 . 1 1 71 71 SER N N 15 0.052 0.002 . . . . 71 SER N 19127 2 57 . 1 1 72 72 ARG N N 15 0.051 0.001 . . . . 72 ARG N 19127 2 58 . 1 1 73 73 TRP N N 15 0.054 0.001 . . . . 73 TRP N 19127 2 59 . 1 1 74 74 TRP N N 15 0.052 0.002 . . . . 74 TRP N 19127 2 60 . 1 1 75 75 ASP N N 15 0.057 0.001 . . . . 75 ASP N 19127 2 61 . 1 1 76 76 ALA N N 15 0.055 0.001 . . . . 76 ALA N 19127 2 62 . 1 1 77 77 TYR N N 15 0.060 0.001 . . . . 77 TYR N 19127 2 63 . 1 1 78 78 ARG N N 15 0.053 0.001 . . . . 78 ARG N 19127 2 64 . 1 1 79 79 LYS N N 15 0.057 0.001 . . . . 79 LYS N 19127 2 65 . 1 1 81 81 LEU N N 15 0.066 0.002 . . . . 81 LEU N 19127 2 66 . 1 1 82 82 GLY N N 15 0.056 0.001 . . . . 82 GLY N 19127 2 67 . 1 1 83 83 LEU N N 15 0.059 0.001 . . . . 83 LEU N 19127 2 68 . 1 1 84 84 LYS N N 15 0.056 0.002 . . . . 84 LYS N 19127 2 69 . 1 1 85 85 ASP N N 15 0.060 0.001 . . . . 85 ASP N 19127 2 70 . 1 1 87 87 SER N N 15 0.057 0.002 . . . . 87 SER N 19127 2 71 . 1 1 89 89 LYS N N 15 0.063 0.001 . . . . 89 LYS N 19127 2 72 . 1 1 90 90 SER N N 15 0.051 0.001 . . . . 90 SER N 19127 2 73 . 1 1 91 91 GLN N N 15 0.050 0.002 . . . . 91 GLN N 19127 2 74 . 1 1 92 92 ASP N N 15 0.050 0.001 . . . . 92 ASP N 19127 2 75 . 1 1 93 93 ALA N N 15 0.052 0.001 . . . . 93 ALA N 19127 2 76 . 1 1 95 95 ALA N N 15 0.052 0.001 . . . . 95 ALA N 19127 2 77 . 1 1 96 96 LEU N N 15 0.062 0.002 . . . . 96 LEU N 19127 2 78 . 1 1 97 97 GLN N N 15 0.051 0.001 . . . . 97 GLN N 19127 2 79 . 1 1 98 98 GLN N N 15 0.054 0.002 . . . . 98 GLN N 19127 2 80 . 1 1 99 99 ILE N N 15 0.066 0.003 . . . . 99 ILE N 19127 2 81 . 1 1 101 101 GLU N N 15 0.052 0.002 . . . . 101 GLU N 19127 2 82 . 1 1 102 102 ARG N N 15 0.052 0.001 . . . . 102 ARG N 19127 2 83 . 1 1 103 103 GLY N N 15 0.059 0.001 . . . . 103 GLY N 19127 2 84 . 1 1 104 104 ALA N N 15 0.047 0.002 . . . . 104 ALA N 19127 2 85 . 1 1 105 105 LEU N N 15 0.051 0.001 . . . . 105 LEU N 19127 2 86 . 1 1 107 107 MET N N 15 0.054 0.002 . . . . 107 MET N 19127 2 87 . 1 1 108 108 ILE N N 15 0.059 0.001 . . . . 108 ILE N 19127 2 88 . 1 1 109 109 ASP N N 15 0.052 0.002 . . . . 109 ASP N 19127 2 89 . 1 1 110 110 ARG N N 15 0.052 0.001 . . . . 110 ARG N 19127 2 90 . 1 1 112 112 ASP N N 15 0.065 0.002 . . . . 112 ASP N 19127 2 91 . 1 1 113 113 ILE N N 15 0.054 0.002 . . . . 113 ILE N 19127 2 92 . 1 1 115 115 GLN N N 15 0.055 0.002 . . . . 115 GLN N 19127 2 93 . 1 1 116 116 ALA N N 15 0.050 0.001 . . . . 116 ALA N 19127 2 94 . 1 1 117 117 ILE N N 15 0.055 0.001 . . . . 117 ILE N 19127 2 95 . 1 1 118 118 ASP N N 15 0.048 0.002 . . . . 118 ASP N 19127 2 96 . 1 1 119 119 ARG N N 15 0.046 0.001 . . . . 119 ARG N 19127 2 97 . 1 1 120 120 CYS N N 15 0.048 0.002 . . . . 120 CYS N 19127 2 98 . 1 1 121 121 SER N N 15 0.057 0.002 . . . . 121 SER N 19127 2 99 . 1 1 122 122 ASN N N 15 0.043 0.001 . . . . 122 ASN N 19127 2 100 . 1 1 124 124 TRP N N 15 0.035 0.001 . . . . 124 TRP N 19127 2 101 . 1 1 126 126 SER N N 15 0.053 0.002 . . . . 126 SER N 19127 2 102 . 1 1 127 127 LEU N N 15 0.033 0.002 . . . . 127 LEU N 19127 2 103 . 1 1 129 129 GLY N N 15 0.055 0.002 . . . . 129 GLY N 19127 2 104 . 1 1 130 130 ALA N N 15 0.056 0.003 . . . . 130 ALA N 19127 2 105 . 1 1 131 131 GLY N N 15 0.028 0.002 . . . . 131 GLY N 19127 2 106 . 1 1 132 132 TYR N N 15 0.048 0.001 . . . . 132 TYR N 19127 2 107 . 1 1 133 133 GLY N N 15 0.053 0.001 . . . . 133 GLY N 19127 2 108 . 1 1 134 134 GLN N N 15 0.054 0.002 . . . . 134 GLN N 19127 2 109 . 1 1 135 135 PHE N N 15 0.063 0.001 . . . . 135 PHE N 19127 2 110 . 1 1 137 137 HIS N N 15 0.023 0.002 . . . . 137 HIS N 19127 2 111 . 1 1 138 138 LYS N N 15 0.043 0.002 . . . . 138 LYS N 19127 2 112 . 1 1 140 140 ASP N N 15 0.028 0.004 . . . . 140 ASP N 19127 2 113 . 1 1 141 141 SER N N 15 0.054 0.003 . . . . 141 SER N 19127 2 114 . 1 1 142 142 LEU N N 15 0.058 0.002 . . . . 142 LEU N 19127 2 115 . 1 1 144 144 ALA N N 15 0.054 0.001 . . . . 144 ALA N 19127 2 116 . 1 1 145 145 LYS N N 15 0.052 0.001 . . . . 145 LYS N 19127 2 117 . 1 1 146 146 PHE N N 15 0.058 0.002 . . . . 146 PHE N 19127 2 118 . 1 1 147 147 LYS N N 15 0.055 0.002 . . . . 147 LYS N 19127 2 119 . 1 1 148 148 GLU N N 15 0.066 0.002 . . . . 148 GLU N 19127 2 120 . 1 1 149 149 ALA N N 15 0.055 0.001 . . . . 149 ALA N 19127 2 121 . 1 1 151 151 GLY N N 15 0.051 0.001 . . . . 151 GLY N 19127 2 122 . 1 1 152 152 THR N N 15 0.058 0.003 . . . . 152 THR N 19127 2 123 . 1 1 153 153 VAL N N 15 0.066 0.002 . . . . 153 VAL N 19127 2 124 . 1 1 154 154 ARG N N 15 0.054 0.002 . . . . 154 ARG N 19127 2 125 . 1 1 155 155 GLU N N 15 0.101 0.001 . . . . 155 GLU N 19127 2 126 . 1 1 156 156 ILE N N 15 0.180 0.001 . . . . 156 ILE N 19127 2 127 . 1 1 157 157 ASP N N 15 0.217 0.001 . . . . 157 ASP N 19127 2 128 . 1 1 158 158 VAL N N 15 0.506 0.002 . . . . 158 VAL N 19127 2 stop_ save_