data_51416 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51416 _Entry.Title ; Bromodomain Interactions with Acetylated Histone 4 Peptides in the Tandem Domain BRD4 -- Effects on Domain Dynamics and Internal Flexibility ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-26 _Entry.Accession_date 2022-04-26 _Entry.Last_release_date 2022-04-26 _Entry.Original_release_date 2022-04-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sven Wernersson . . . . 51416 2 Bobby Romel . . . . 51416 3 Liz Flavell . . . . 51416 4 Alexander Milbradt . G. . . 51416 5 Geoff Holdgate . A. . . 51416 6 Kevin Embrey . J. . . 51416 7 Mikael Akke . . . . 51416 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51416 heteronucl_NOEs 2 51416 heteronucl_T1_relaxation 2 51416 heteronucl_T2_relaxation 2 51416 order_parameters 1 51416 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 111 51416 '1H chemical shifts' 111 51416 'T1 relaxation values' 209 51416 'T2 relaxation values' 209 51416 'dipole-CSA cross correlation relaxation values' 98 51416 'heteronuclear NOE values' 209 51416 'order parameters' 105 51416 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 . . 2022-11-16 2022-04-26 update BMRB 'update entry citation' 51416 1 . . 2022-10-11 2022-04-26 original author 'original release' 51416 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51413 'H4Kac bound Bromodomain 1 (BD1), linker, Bromodomain 2 (BD2) of BRD4' 51416 BMRB 51414 'H4Kac bound Bromodomain 2 (BD2) of BRD4' 51416 BMRB 51415 'H4Kac bound Bromodomain 1 (BD1) of BRD4' 51416 BMRB 51417 'apo Bromodomain 2 (BD2) of BRD4' 51416 BMRB 51418 'apo Bromodomain 1 (BD1), linker, Bromodomain 2 (BD2) of BRD4' 51416 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51416 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36215732 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Bromodomain Interactions with Acetylated Histone 4 Peptides in the BRD4 Tandem Domain: Effects on Domain Dynamics and Internal Flexibility ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 61 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 2303 _Citation.Page_last 2318 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sven Wernersson S. . . . 51416 1 2 Romel Bobby R. . . . 51416 1 3 Liz Flavell L. . . . 51416 1 4 Alexander Milbradt A. G. . . 51416 1 5 Geoffrey Holdgate G. A. . . 51416 1 6 Kevin Embrey K. J. . . 51416 1 7 Mikael Akke M. . . . 51416 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51416 _Assembly.ID 1 _Assembly.Name 'apo Bromodomain 1 (BD1) of BRD4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14865 _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 BD1 1 $entity_1 . . yes native yes no . . . 51416 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51416 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; NPPPPETSNPNKPKRQTNQL QYLLRVVLKTLWKHQFAWPF QQPVDAVKLNLPDYYKIIKT PMDMGTIKKRLENNYYWNAQ ECIQDFNTMFTNCYIYNKPG DDIVLMAEALEKLFLQKINE LPTEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 44 ASN . 51416 1 2 45 PRO . 51416 1 3 46 PRO . 51416 1 4 47 PRO . 51416 1 5 48 PRO . 51416 1 6 49 GLU . 51416 1 7 50 THR . 51416 1 8 51 SER . 51416 1 9 52 ASN . 51416 1 10 53 PRO . 51416 1 11 54 ASN . 51416 1 12 55 LYS . 51416 1 13 56 PRO . 51416 1 14 57 LYS . 51416 1 15 58 ARG . 51416 1 16 59 GLN . 51416 1 17 60 THR . 51416 1 18 61 ASN . 51416 1 19 62 GLN . 51416 1 20 63 LEU . 51416 1 21 64 GLN . 51416 1 22 65 TYR . 51416 1 23 66 LEU . 51416 1 24 67 LEU . 51416 1 25 68 ARG . 51416 1 26 69 VAL . 51416 1 27 70 VAL . 51416 1 28 71 LEU . 51416 1 29 72 LYS . 51416 1 30 73 THR . 51416 1 31 74 LEU . 51416 1 32 75 TRP . 51416 1 33 76 LYS . 51416 1 34 77 HIS . 51416 1 35 78 GLN . 51416 1 36 79 PHE . 51416 1 37 80 ALA . 51416 1 38 81 TRP . 51416 1 39 82 PRO . 51416 1 40 83 PHE . 51416 1 41 84 GLN . 51416 1 42 85 GLN . 51416 1 43 86 PRO . 51416 1 44 87 VAL . 51416 1 45 88 ASP . 51416 1 46 89 ALA . 51416 1 47 90 VAL . 51416 1 48 91 LYS . 51416 1 49 92 LEU . 51416 1 50 93 ASN . 51416 1 51 94 LEU . 51416 1 52 95 PRO . 51416 1 53 96 ASP . 51416 1 54 97 TYR . 51416 1 55 98 TYR . 51416 1 56 99 LYS . 51416 1 57 100 ILE . 51416 1 58 101 ILE . 51416 1 59 102 LYS . 51416 1 60 103 THR . 51416 1 61 104 PRO . 51416 1 62 105 MET . 51416 1 63 106 ASP . 51416 1 64 107 MET . 51416 1 65 108 GLY . 51416 1 66 109 THR . 51416 1 67 110 ILE . 51416 1 68 111 LYS . 51416 1 69 112 LYS . 51416 1 70 113 ARG . 51416 1 71 114 LEU . 51416 1 72 115 GLU . 51416 1 73 116 ASN . 51416 1 74 117 ASN . 51416 1 75 118 TYR . 51416 1 76 119 TYR . 51416 1 77 120 TRP . 51416 1 78 121 ASN . 51416 1 79 122 ALA . 51416 1 80 123 GLN . 51416 1 81 124 GLU . 51416 1 82 125 CYS . 51416 1 83 126 ILE . 51416 1 84 127 GLN . 51416 1 85 128 ASP . 51416 1 86 129 PHE . 51416 1 87 130 ASN . 51416 1 88 131 THR . 51416 1 89 132 MET . 51416 1 90 133 PHE . 51416 1 91 134 THR . 51416 1 92 135 ASN . 51416 1 93 136 CYS . 51416 1 94 137 TYR . 51416 1 95 138 ILE . 51416 1 96 139 TYR . 51416 1 97 140 ASN . 51416 1 98 141 LYS . 51416 1 99 142 PRO . 51416 1 100 143 GLY . 51416 1 101 144 ASP . 51416 1 102 145 ASP . 51416 1 103 146 ILE . 51416 1 104 147 VAL . 51416 1 105 148 LEU . 51416 1 106 149 MET . 51416 1 107 150 ALA . 51416 1 108 151 GLU . 51416 1 109 152 ALA . 51416 1 110 153 LEU . 51416 1 111 154 GLU . 51416 1 112 155 LYS . 51416 1 113 156 LEU . 51416 1 114 157 PHE . 51416 1 115 158 LEU . 51416 1 116 159 GLN . 51416 1 117 160 LYS . 51416 1 118 161 ILE . 51416 1 119 162 ASN . 51416 1 120 163 GLU . 51416 1 121 164 LEU . 51416 1 122 165 PRO . 51416 1 123 166 THR . 51416 1 124 167 GLU . 51416 1 125 168 GLU . 51416 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 . ASN 1 1 51416 1 . PRO 2 2 51416 1 . PRO 3 3 51416 1 . PRO 4 4 51416 1 . PRO 5 5 51416 1 . GLU 6 6 51416 1 . THR 7 7 51416 1 . SER 8 8 51416 1 . ASN 9 9 51416 1 . PRO 10 10 51416 1 . ASN 11 11 51416 1 . LYS 12 12 51416 1 . PRO 13 13 51416 1 . LYS 14 14 51416 1 . ARG 15 15 51416 1 . GLN 16 16 51416 1 . THR 17 17 51416 1 . ASN 18 18 51416 1 . GLN 19 19 51416 1 . LEU 20 20 51416 1 . GLN 21 21 51416 1 . TYR 22 22 51416 1 . LEU 23 23 51416 1 . LEU 24 24 51416 1 . ARG 25 25 51416 1 . VAL 26 26 51416 1 . VAL 27 27 51416 1 . LEU 28 28 51416 1 . LYS 29 29 51416 1 . THR 30 30 51416 1 . LEU 31 31 51416 1 . TRP 32 32 51416 1 . LYS 33 33 51416 1 . HIS 34 34 51416 1 . GLN 35 35 51416 1 . PHE 36 36 51416 1 . ALA 37 37 51416 1 . TRP 38 38 51416 1 . PRO 39 39 51416 1 . PHE 40 40 51416 1 . GLN 41 41 51416 1 . GLN 42 42 51416 1 . PRO 43 43 51416 1 . VAL 44 44 51416 1 . ASP 45 45 51416 1 . ALA 46 46 51416 1 . VAL 47 47 51416 1 . LYS 48 48 51416 1 . LEU 49 49 51416 1 . ASN 50 50 51416 1 . LEU 51 51 51416 1 . PRO 52 52 51416 1 . ASP 53 53 51416 1 . TYR 54 54 51416 1 . TYR 55 55 51416 1 . LYS 56 56 51416 1 . ILE 57 57 51416 1 . ILE 58 58 51416 1 . LYS 59 59 51416 1 . THR 60 60 51416 1 . PRO 61 61 51416 1 . MET 62 62 51416 1 . ASP 63 63 51416 1 . MET 64 64 51416 1 . GLY 65 65 51416 1 . THR 66 66 51416 1 . ILE 67 67 51416 1 . LYS 68 68 51416 1 . LYS 69 69 51416 1 . ARG 70 70 51416 1 . LEU 71 71 51416 1 . GLU 72 72 51416 1 . ASN 73 73 51416 1 . ASN 74 74 51416 1 . TYR 75 75 51416 1 . TYR 76 76 51416 1 . TRP 77 77 51416 1 . ASN 78 78 51416 1 . ALA 79 79 51416 1 . GLN 80 80 51416 1 . GLU 81 81 51416 1 . CYS 82 82 51416 1 . ILE 83 83 51416 1 . GLN 84 84 51416 1 . ASP 85 85 51416 1 . PHE 86 86 51416 1 . ASN 87 87 51416 1 . THR 88 88 51416 1 . MET 89 89 51416 1 . PHE 90 90 51416 1 . THR 91 91 51416 1 . ASN 92 92 51416 1 . CYS 93 93 51416 1 . TYR 94 94 51416 1 . ILE 95 95 51416 1 . TYR 96 96 51416 1 . ASN 97 97 51416 1 . LYS 98 98 51416 1 . PRO 99 99 51416 1 . GLY 100 100 51416 1 . ASP 101 101 51416 1 . ASP 102 102 51416 1 . ILE 103 103 51416 1 . VAL 104 104 51416 1 . LEU 105 105 51416 1 . MET 106 106 51416 1 . ALA 107 107 51416 1 . GLU 108 108 51416 1 . ALA 109 109 51416 1 . LEU 110 110 51416 1 . GLU 111 111 51416 1 . LYS 112 112 51416 1 . LEU 113 113 51416 1 . PHE 114 114 51416 1 . LEU 115 115 51416 1 . GLN 116 116 51416 1 . LYS 117 117 51416 1 . ILE 118 118 51416 1 . ASN 119 119 51416 1 . GLU 120 120 51416 1 . LEU 121 121 51416 1 . PRO 122 122 51416 1 . THR 123 123 51416 1 . GLU 124 124 51416 1 . GLU 125 125 51416 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51416 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51416 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51416 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 51416 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51416 _Sample.ID 1 _Sample.Name 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'apo Bromodomain 1 (BD1) of BRD4' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.135 . . mM . . . . 51416 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51416 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51416 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51416 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51416 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Near physiological' _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' 0.180 . M 51416 1 pH 6.8 . pH 51416 1 pressure 1 . atm 51416 1 temperature 303 . K 51416 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51416 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51416 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51416 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51416 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51416 _Software.ID 3 _Software.Type . _Software.Name Relax _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51416 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51416 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51416 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51416 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 6 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51416 1 7 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 8 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51416 1 9 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 10 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51416 1 11 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 12 'transverse cross-correlated dipole/CSA relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51416 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51416 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_set _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51416 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51416 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51416 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BD1 chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCANH' . . . 51416 1 2 '3D CBCA(CO)NH' . . . 51416 1 3 '3D HN(CO)CA' . . . 51416 1 4 '3D HNCA' . . . 51416 1 5 '3D HNCO' . . . 51416 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51416 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASN H H 1 8.4665 . . 1 . . . . . 44 ASN H . 51416 1 2 . 1 . 1 1 1 ASN N N 15 121.4396 . . 1 . . . . . 44 ASN N . 51416 1 3 . 1 . 1 6 6 GLU H H 1 8.5738 . . 1 . . . . . 49 GLU H . 51416 1 4 . 1 . 1 6 6 GLU N N 15 121.2754 . . 1 . . . . . 49 GLU N . 51416 1 5 . 1 . 1 7 7 THR H H 1 8.2678 . . 1 . . . . . 50 THR H . 51416 1 6 . 1 . 1 7 7 THR N N 15 114.2745 . . 1 . . . . . 50 THR N . 51416 1 7 . 1 . 1 8 8 SER H H 1 8.1316 . . 1 . . . . . 51 SER H . 51416 1 8 . 1 . 1 8 8 SER N N 15 117.6205 . . 1 . . . . . 51 SER N . 51416 1 9 . 1 . 1 9 9 ASN H H 1 8.199 . . 1 . . . . . 52 ASN H . 51416 1 10 . 1 . 1 9 9 ASN N N 15 120.5041 . . 1 . . . . . 52 ASN N . 51416 1 11 . 1 . 1 11 11 ASN H H 1 8.3078 . . 1 . . . . . 54 ASN H . 51416 1 12 . 1 . 1 11 11 ASN N N 15 117.8135 . . 1 . . . . . 54 ASN N . 51416 1 13 . 1 . 1 12 12 LYS H H 1 7.8037 . . 1 . . . . . 55 LYS H . 51416 1 14 . 1 . 1 12 12 LYS N N 15 122.835 . . 1 . . . . . 55 LYS N . 51416 1 15 . 1 . 1 14 14 LYS H H 1 8.3759 . . 1 . . . . . 57 LYS H . 51416 1 16 . 1 . 1 14 14 LYS N N 15 121.9073 . . 1 . . . . . 57 LYS N . 51416 1 17 . 1 . 1 15 15 ARG H H 1 8.4512 . . 1 . . . . . 58 ARG H . 51416 1 18 . 1 . 1 15 15 ARG N N 15 123.4269 . . 1 . . . . . 58 ARG N . 51416 1 19 . 1 . 1 16 16 GLN H H 1 8.2905 . . 1 . . . . . 59 GLN H . 51416 1 20 . 1 . 1 16 16 GLN N N 15 124.6253 . . 1 . . . . . 59 GLN N . 51416 1 21 . 1 . 1 17 17 THR H H 1 7.7297 . . 1 . . . . . 60 THR H . 51416 1 22 . 1 . 1 17 17 THR N N 15 116.0476 . . 1 . . . . . 60 THR N . 51416 1 23 . 1 . 1 18 18 ASN H H 1 9.723 . . 1 . . . . . 61 ASN H . 51416 1 24 . 1 . 1 18 18 ASN N N 15 122.5995 . . 1 . . . . . 61 ASN N . 51416 1 25 . 1 . 1 19 19 GLN H H 1 8.7333 . . 1 . . . . . 62 GLN H . 51416 1 26 . 1 . 1 19 19 GLN N N 15 120.9555 . . 1 . . . . . 62 GLN N . 51416 1 27 . 1 . 1 21 21 GLN H H 1 8.5139 . . 1 . . . . . 64 GLN H . 51416 1 28 . 1 . 1 21 21 GLN N N 15 119.5657 . . 1 . . . . . 64 GLN N . 51416 1 29 . 1 . 1 22 22 TYR H H 1 7.8953 . . 1 . . . . . 65 TYR H . 51416 1 30 . 1 . 1 22 22 TYR N N 15 121.9134 . . 1 . . . . . 65 TYR N . 51416 1 31 . 1 . 1 23 23 LEU H H 1 8.5396 . . 1 . . . . . 66 LEU H . 51416 1 32 . 1 . 1 23 23 LEU N N 15 121.9156 . . 1 . . . . . 66 LEU N . 51416 1 33 . 1 . 1 24 24 LEU H H 1 7.8877 . . 1 . . . . . 67 LEU H . 51416 1 34 . 1 . 1 24 24 LEU N N 15 118.683 . . 1 . . . . . 67 LEU N . 51416 1 35 . 1 . 1 25 25 ARG H H 1 8.876 . . 1 . . . . . 68 ARG H . 51416 1 36 . 1 . 1 25 25 ARG N N 15 115.5446 . . 1 . . . . . 68 ARG N . 51416 1 37 . 1 . 1 26 26 VAL H H 1 8.0782 . . 1 . . . . . 69 VAL H . 51416 1 38 . 1 . 1 26 26 VAL N N 15 115.6312 . . 1 . . . . . 69 VAL N . 51416 1 39 . 1 . 1 27 27 VAL H H 1 7.4822 . . 1 . . . . . 70 VAL H . 51416 1 40 . 1 . 1 27 27 VAL N N 15 120.583 . . 1 . . . . . 70 VAL N . 51416 1 41 . 1 . 1 28 28 LEU H H 1 9.444 . . 1 . . . . . 71 LEU H . 51416 1 42 . 1 . 1 28 28 LEU N N 15 120.0805 . . 1 . . . . . 71 LEU N . 51416 1 43 . 1 . 1 29 29 LYS H H 1 6.5312 . . 1 . . . . . 72 LYS H . 51416 1 44 . 1 . 1 29 29 LYS N N 15 115.5725 . . 1 . . . . . 72 LYS N . 51416 1 45 . 1 . 1 30 30 THR H H 1 7.35 . . 1 . . . . . 73 THR H . 51416 1 46 . 1 . 1 30 30 THR N N 15 112.727 . . 1 . . . . . 73 THR N . 51416 1 47 . 1 . 1 31 31 LEU H H 1 8.0571 . . 1 . . . . . 74 LEU H . 51416 1 48 . 1 . 1 31 31 LEU N N 15 121.7659 . . 1 . . . . . 74 LEU N . 51416 1 49 . 1 . 1 32 32 TRP H H 1 9.1634 . . 1 . . . . . 75 TRP H . 51416 1 50 . 1 . 1 32 32 TRP N N 15 117.278 . . 1 . . . . . 75 TRP N . 51416 1 51 . 1 . 1 33 33 LYS H H 1 7.0537 . . 1 . . . . . 76 LYS H . 51416 1 52 . 1 . 1 33 33 LYS N N 15 109.7526 . . 1 . . . . . 76 LYS N . 51416 1 53 . 1 . 1 34 34 HIS H H 1 7.6049 . . 1 . . . . . 77 HIS H . 51416 1 54 . 1 . 1 34 34 HIS N N 15 123.9426 . . 1 . . . . . 77 HIS N . 51416 1 55 . 1 . 1 35 35 GLN H H 1 8.3655 . . 1 . . . . . 78 GLN H . 51416 1 56 . 1 . 1 35 35 GLN N N 15 128.6678 . . 1 . . . . . 78 GLN N . 51416 1 57 . 1 . 1 36 36 PHE H H 1 11.4893 . . 1 . . . . . 79 PHE H . 51416 1 58 . 1 . 1 36 36 PHE N N 15 122.122 . . 1 . . . . . 79 PHE N . 51416 1 59 . 1 . 1 37 37 ALA H H 1 8.0023 . . 1 . . . . . 80 ALA H . 51416 1 60 . 1 . 1 37 37 ALA N N 15 117.1523 . . 1 . . . . . 80 ALA N . 51416 1 61 . 1 . 1 38 38 TRP H H 1 7.5433 . . 1 . . . . . 81 TRP H . 51416 1 62 . 1 . 1 38 38 TRP N N 15 116.3419 . . 1 . . . . . 81 TRP N . 51416 1 63 . 1 . 1 40 40 PHE H H 1 7.8871 . . 1 . . . . . 83 PHE H . 51416 1 64 . 1 . 1 40 40 PHE N N 15 112.3683 . . 1 . . . . . 83 PHE N . 51416 1 65 . 1 . 1 42 42 GLN H H 1 7.3759 . . 1 . . . . . 85 GLN H . 51416 1 66 . 1 . 1 42 42 GLN N N 15 113.8827 . . 1 . . . . . 85 GLN N . 51416 1 67 . 1 . 1 44 44 VAL H H 1 8.5067 . . 1 . . . . . 87 VAL H . 51416 1 68 . 1 . 1 44 44 VAL N N 15 124.867 . . 1 . . . . . 87 VAL N . 51416 1 69 . 1 . 1 45 45 ASP H H 1 8.1446 . . 1 . . . . . 88 ASP H . 51416 1 70 . 1 . 1 45 45 ASP N N 15 130.0236 . . 1 . . . . . 88 ASP N . 51416 1 71 . 1 . 1 46 46 ALA H H 1 8.1218 . . 1 . . . . . 89 ALA H . 51416 1 72 . 1 . 1 46 46 ALA N N 15 125.9212 . . 1 . . . . . 89 ALA N . 51416 1 73 . 1 . 1 47 47 VAL H H 1 7.9198 . . 1 . . . . . 90 VAL H . 51416 1 74 . 1 . 1 47 47 VAL N N 15 118.5393 . . 1 . . . . . 90 VAL N . 51416 1 75 . 1 . 1 48 48 LYS H H 1 7.8625 . . 1 . . . . . 91 LYS H . 51416 1 76 . 1 . 1 48 48 LYS N N 15 122.9315 . . 1 . . . . . 91 LYS N . 51416 1 77 . 1 . 1 49 49 LEU H H 1 7.7949 . . 1 . . . . . 92 LEU H . 51416 1 78 . 1 . 1 49 49 LEU N N 15 114.9475 . . 1 . . . . . 92 LEU N . 51416 1 79 . 1 . 1 50 50 ASN H H 1 7.5235 . . 1 . . . . . 93 ASN H . 51416 1 80 . 1 . 1 50 50 ASN N N 15 116.9999 . . 1 . . . . . 93 ASN N . 51416 1 81 . 1 . 1 51 51 LEU H H 1 8.2199 . . 1 . . . . . 94 LEU H . 51416 1 82 . 1 . 1 51 51 LEU N N 15 118.8774 . . 1 . . . . . 94 LEU N . 51416 1 83 . 1 . 1 53 53 ASP H H 1 8.6696 . . 1 . . . . . 96 ASP H . 51416 1 84 . 1 . 1 53 53 ASP N N 15 116.9419 . . 1 . . . . . 96 ASP N . 51416 1 85 . 1 . 1 54 54 TYR H H 1 7.6304 . . 1 . . . . . 97 TYR H . 51416 1 86 . 1 . 1 54 54 TYR N N 15 123.2227 . . 1 . . . . . 97 TYR N . 51416 1 87 . 1 . 1 55 55 TYR H H 1 8.2933 . . 1 . . . . . 98 TYR H . 51416 1 88 . 1 . 1 55 55 TYR N N 15 112.4901 . . 1 . . . . . 98 TYR N . 51416 1 89 . 1 . 1 56 56 LYS H H 1 7.3227 . . 1 . . . . . 99 LYS H . 51416 1 90 . 1 . 1 56 56 LYS N N 15 118.4955 . . 1 . . . . . 99 LYS N . 51416 1 91 . 1 . 1 57 57 ILE H H 1 7.2528 . . 1 . . . . . 100 ILE H . 51416 1 92 . 1 . 1 57 57 ILE N N 15 119.0178 . . 1 . . . . . 100 ILE N . 51416 1 93 . 1 . 1 58 58 ILE H H 1 8.2109 . . 1 . . . . . 101 ILE H . 51416 1 94 . 1 . 1 58 58 ILE N N 15 122.0006 . . 1 . . . . . 101 ILE N . 51416 1 95 . 1 . 1 59 59 LYS H H 1 7.7737 . . 1 . . . . . 102 LYS H . 51416 1 96 . 1 . 1 59 59 LYS N N 15 125.1637 . . 1 . . . . . 102 LYS N . 51416 1 97 . 1 . 1 60 60 THR H H 1 8.2553 . . 1 . . . . . 103 THR H . 51416 1 98 . 1 . 1 60 60 THR N N 15 112.7815 . . 1 . . . . . 103 THR N . 51416 1 99 . 1 . 1 62 62 MET H H 1 7.9967 . . 1 . . . . . 105 MET H . 51416 1 100 . 1 . 1 62 62 MET N N 15 119.0537 . . 1 . . . . . 105 MET N . 51416 1 101 . 1 . 1 63 63 ASP H H 1 7.265 . . 1 . . . . . 106 ASP H . 51416 1 102 . 1 . 1 63 63 ASP N N 15 120.1119 . . 1 . . . . . 106 ASP N . 51416 1 103 . 1 . 1 64 64 MET H H 1 9.1519 . . 1 . . . . . 107 MET H . 51416 1 104 . 1 . 1 64 64 MET N N 15 119.1536 . . 1 . . . . . 107 MET N . 51416 1 105 . 1 . 1 65 65 GLY H H 1 8.7155 . . 1 . . . . . 108 GLY H . 51416 1 106 . 1 . 1 65 65 GLY N N 15 113.1006 . . 1 . . . . . 108 GLY N . 51416 1 107 . 1 . 1 66 66 THR H H 1 8.2544 . . 1 . . . . . 109 THR H . 51416 1 108 . 1 . 1 66 66 THR N N 15 124.6248 . . 1 . . . . . 109 THR N . 51416 1 109 . 1 . 1 67 67 ILE H H 1 7.2724 . . 1 . . . . . 110 ILE H . 51416 1 110 . 1 . 1 67 67 ILE N N 15 122.3938 . . 1 . . . . . 110 ILE N . 51416 1 111 . 1 . 1 68 68 LYS H H 1 8.4692 . . 1 . . . . . 111 LYS H . 51416 1 112 . 1 . 1 68 68 LYS N N 15 120.4028 . . 1 . . . . . 111 LYS N . 51416 1 113 . 1 . 1 69 69 LYS H H 1 7.7782 . . 1 . . . . . 112 LYS H . 51416 1 114 . 1 . 1 69 69 LYS N N 15 117.9238 . . 1 . . . . . 112 LYS N . 51416 1 115 . 1 . 1 70 70 ARG H H 1 8.2794 . . 1 . . . . . 113 ARG H . 51416 1 116 . 1 . 1 70 70 ARG N N 15 120.3727 . . 1 . . . . . 113 ARG N . 51416 1 117 . 1 . 1 71 71 LEU H H 1 8.8258 . . 1 . . . . . 114 LEU H . 51416 1 118 . 1 . 1 71 71 LEU N N 15 121.514 . . 1 . . . . . 114 LEU N . 51416 1 119 . 1 . 1 72 72 GLU H H 1 8.6596 . . 1 . . . . . 115 GLU H . 51416 1 120 . 1 . 1 72 72 GLU N N 15 119.587 . . 1 . . . . . 115 GLU N . 51416 1 121 . 1 . 1 73 73 ASN H H 1 7.9293 . . 1 . . . . . 116 ASN H . 51416 1 122 . 1 . 1 73 73 ASN N N 15 115.1714 . . 1 . . . . . 116 ASN N . 51416 1 123 . 1 . 1 74 74 ASN H H 1 7.8399 . . 1 . . . . . 117 ASN H . 51416 1 124 . 1 . 1 74 74 ASN N N 15 115.7162 . . 1 . . . . . 117 ASN N . 51416 1 125 . 1 . 1 75 75 TYR H H 1 8.424 . . 1 . . . . . 118 TYR H . 51416 1 126 . 1 . 1 75 75 TYR N N 15 117.4288 . . 1 . . . . . 118 TYR N . 51416 1 127 . 1 . 1 76 76 TYR H H 1 7.722 . . 1 . . . . . 119 TYR H . 51416 1 128 . 1 . 1 76 76 TYR N N 15 115.1079 . . 1 . . . . . 119 TYR N . 51416 1 129 . 1 . 1 77 77 TRP H H 1 9.7903 . . 1 . . . . . 120 TRP H . 51416 1 130 . 1 . 1 77 77 TRP N N 15 122.5331 . . 1 . . . . . 120 TRP N . 51416 1 131 . 1 . 1 78 78 ASN H H 1 7.8996 . . 1 . . . . . 121 ASN H . 51416 1 132 . 1 . 1 78 78 ASN N N 15 112.5797 . . 1 . . . . . 121 ASN N . 51416 1 133 . 1 . 1 79 79 ALA H H 1 8.951 . . 1 . . . . . 122 ALA H . 51416 1 134 . 1 . 1 79 79 ALA N N 15 121.4227 . . 1 . . . . . 122 ALA N . 51416 1 135 . 1 . 1 80 80 GLN H H 1 8.6651 . . 1 . . . . . 123 GLN H . 51416 1 136 . 1 . 1 80 80 GLN N N 15 118.3546 . . 1 . . . . . 123 GLN N . 51416 1 137 . 1 . 1 81 81 GLU H H 1 7.8304 . . 1 . . . . . 124 GLU H . 51416 1 138 . 1 . 1 81 81 GLU N N 15 118.8796 . . 1 . . . . . 124 GLU N . 51416 1 139 . 1 . 1 82 82 CYS H H 1 6.578 . . 1 . . . . . 125 CYS H . 51416 1 140 . 1 . 1 82 82 CYS N N 15 119.0898 . . 1 . . . . . 125 CYS N . 51416 1 141 . 1 . 1 83 83 ILE H H 1 8.498 . . 1 . . . . . 126 ILE H . 51416 1 142 . 1 . 1 83 83 ILE N N 15 121.1179 . . 1 . . . . . 126 ILE N . 51416 1 143 . 1 . 1 84 84 GLN H H 1 8.3464 . . 1 . . . . . 127 GLN H . 51416 1 144 . 1 . 1 84 84 GLN N N 15 118.1942 . . 1 . . . . . 127 GLN N . 51416 1 145 . 1 . 1 85 85 ASP H H 1 7.4904 . . 1 . . . . . 128 ASP H . 51416 1 146 . 1 . 1 85 85 ASP N N 15 122.3583 . . 1 . . . . . 128 ASP N . 51416 1 147 . 1 . 1 86 86 PHE H H 1 7.9984 . . 1 . . . . . 129 PHE H . 51416 1 148 . 1 . 1 86 86 PHE N N 15 120.2824 . . 1 . . . . . 129 PHE N . 51416 1 149 . 1 . 1 87 87 ASN H H 1 8.5124 . . 1 . . . . . 130 ASN H . 51416 1 150 . 1 . 1 87 87 ASN N N 15 116.4421 . . 1 . . . . . 130 ASN N . 51416 1 151 . 1 . 1 88 88 THR H H 1 8.9138 . . 1 . . . . . 131 THR H . 51416 1 152 . 1 . 1 88 88 THR N N 15 121.532 . . 1 . . . . . 131 THR N . 51416 1 153 . 1 . 1 89 89 MET H H 1 7.5773 . . 1 . . . . . 132 MET H . 51416 1 154 . 1 . 1 89 89 MET N N 15 120.8558 . . 1 . . . . . 132 MET N . 51416 1 155 . 1 . 1 90 90 PHE H H 1 7.7438 . . 1 . . . . . 133 PHE H . 51416 1 156 . 1 . 1 90 90 PHE N N 15 117.31 . . 1 . . . . . 133 PHE N . 51416 1 157 . 1 . 1 91 91 THR H H 1 8.6395 . . 1 . . . . . 134 THR H . 51416 1 158 . 1 . 1 91 91 THR N N 15 113.5898 . . 1 . . . . . 134 THR N . 51416 1 159 . 1 . 1 92 92 ASN H H 1 8.7228 . . 1 . . . . . 135 ASN H . 51416 1 160 . 1 . 1 92 92 ASN N N 15 119.7126 . . 1 . . . . . 135 ASN N . 51416 1 161 . 1 . 1 93 93 CYS H H 1 7.002 . . 1 . . . . . 136 CYS H . 51416 1 162 . 1 . 1 93 93 CYS N N 15 118.6382 . . 1 . . . . . 136 CYS N . 51416 1 163 . 1 . 1 94 94 TYR H H 1 7.5418 . . 1 . . . . . 137 TYR H . 51416 1 164 . 1 . 1 94 94 TYR N N 15 118.8066 . . 1 . . . . . 137 TYR N . 51416 1 165 . 1 . 1 95 95 ILE H H 1 8.5702 . . 1 . . . . . 138 ILE H . 51416 1 166 . 1 . 1 95 95 ILE N N 15 117.0116 . . 1 . . . . . 138 ILE N . 51416 1 167 . 1 . 1 96 96 TYR H H 1 7.9181 . . 1 . . . . . 139 TYR H . 51416 1 168 . 1 . 1 96 96 TYR N N 15 118.7263 . . 1 . . . . . 139 TYR N . 51416 1 169 . 1 . 1 97 97 ASN H H 1 7.5286 . . 1 . . . . . 140 ASN H . 51416 1 170 . 1 . 1 97 97 ASN N N 15 114.6456 . . 1 . . . . . 140 ASN N . 51416 1 171 . 1 . 1 98 98 LYS H H 1 8.4974 . . 1 . . . . . 141 LYS H . 51416 1 172 . 1 . 1 98 98 LYS N N 15 120.6889 . . 1 . . . . . 141 LYS N . 51416 1 173 . 1 . 1 100 100 GLY H H 1 8.403 . . 1 . . . . . 143 GLY H . 51416 1 174 . 1 . 1 100 100 GLY N N 15 110.2447 . . 1 . . . . . 143 GLY N . 51416 1 175 . 1 . 1 101 101 ASP H H 1 7.9762 . . 1 . . . . . 144 ASP H . 51416 1 176 . 1 . 1 101 101 ASP N N 15 122.2076 . . 1 . . . . . 144 ASP N . 51416 1 177 . 1 . 1 102 102 ASP H H 1 8.8793 . . 1 . . . . . 145 ASP H . 51416 1 178 . 1 . 1 102 102 ASP N N 15 124.3563 . . 1 . . . . . 145 ASP N . 51416 1 179 . 1 . 1 103 103 ILE H H 1 8.679 . . 1 . . . . . 146 ILE H . 51416 1 180 . 1 . 1 103 103 ILE N N 15 117.2849 . . 1 . . . . . 146 ILE N . 51416 1 181 . 1 . 1 104 104 VAL H H 1 6.9522 . . 1 . . . . . 147 VAL H . 51416 1 182 . 1 . 1 104 104 VAL N N 15 123.1073 . . 1 . . . . . 147 VAL N . 51416 1 183 . 1 . 1 105 105 LEU H H 1 7.562 . . 1 . . . . . 148 LEU H . 51416 1 184 . 1 . 1 105 105 LEU N N 15 120.4643 . . 1 . . . . . 148 LEU N . 51416 1 185 . 1 . 1 106 106 MET H H 1 7.9531 . . 1 . . . . . 149 MET H . 51416 1 186 . 1 . 1 106 106 MET N N 15 119.6607 . . 1 . . . . . 149 MET N . 51416 1 187 . 1 . 1 107 107 ALA H H 1 8.4029 . . 1 . . . . . 150 ALA H . 51416 1 188 . 1 . 1 107 107 ALA N N 15 122.2776 . . 1 . . . . . 150 ALA N . 51416 1 189 . 1 . 1 108 108 GLU H H 1 8.9181 . . 1 . . . . . 151 GLU H . 51416 1 190 . 1 . 1 108 108 GLU N N 15 117.0221 . . 1 . . . . . 151 GLU N . 51416 1 191 . 1 . 1 109 109 ALA H H 1 7.6314 . . 1 . . . . . 152 ALA H . 51416 1 192 . 1 . 1 109 109 ALA N N 15 121.7521 . . 1 . . . . . 152 ALA N . 51416 1 193 . 1 . 1 110 110 LEU H H 1 8.0305 . . 1 . . . . . 153 LEU H . 51416 1 194 . 1 . 1 110 110 LEU N N 15 120.6724 . . 1 . . . . . 153 LEU N . 51416 1 195 . 1 . 1 111 111 GLU H H 1 9.0213 . . 1 . . . . . 154 GLU H . 51416 1 196 . 1 . 1 111 111 GLU N N 15 122.6761 . . 1 . . . . . 154 GLU N . 51416 1 197 . 1 . 1 112 112 LYS H H 1 7.8037 . . 1 . . . . . 155 LYS H . 51416 1 198 . 1 . 1 112 112 LYS N N 15 118.58 . . 1 . . . . . 155 LYS N . 51416 1 199 . 1 . 1 113 113 LEU H H 1 7.18 . . 1 . . . . . 156 LEU H . 51416 1 200 . 1 . 1 113 113 LEU N N 15 121.0077 . . 1 . . . . . 156 LEU N . 51416 1 201 . 1 . 1 114 114 PHE H H 1 8.7949 . . 1 . . . . . 157 PHE H . 51416 1 202 . 1 . 1 114 114 PHE N N 15 121.2661 . . 1 . . . . . 157 PHE N . 51416 1 203 . 1 . 1 115 115 LEU H H 1 8.7119 . . 1 . . . . . 158 LEU H . 51416 1 204 . 1 . 1 115 115 LEU N N 15 118.6334 . . 1 . . . . . 158 LEU N . 51416 1 205 . 1 . 1 116 116 GLN H H 1 7.621 . . 1 . . . . . 159 GLN H . 51416 1 206 . 1 . 1 116 116 GLN N N 15 118.5817 . . 1 . . . . . 159 GLN N . 51416 1 207 . 1 . 1 117 117 LYS H H 1 8.0609 . . 1 . . . . . 160 LYS H . 51416 1 208 . 1 . 1 117 117 LYS N N 15 115.8757 . . 1 . . . . . 160 LYS N . 51416 1 209 . 1 . 1 118 118 ILE H H 1 8.519 . . 1 . . . . . 161 ILE H . 51416 1 210 . 1 . 1 118 118 ILE N N 15 118.5615 . . 1 . . . . . 161 ILE N . 51416 1 211 . 1 . 1 119 119 ASN H H 1 7.4645 . . 1 . . . . . 162 ASN H . 51416 1 212 . 1 . 1 119 119 ASN N N 15 121.2379 . . 1 . . . . . 162 ASN N . 51416 1 213 . 1 . 1 120 120 GLU H H 1 7.0041 . . 1 . . . . . 163 GLU H . 51416 1 214 . 1 . 1 120 120 GLU N N 15 116.3851 . . 1 . . . . . 163 GLU N . 51416 1 215 . 1 . 1 121 121 LEU H H 1 6.9037 . . 1 . . . . . 164 LEU H . 51416 1 216 . 1 . 1 121 121 LEU N N 15 121.3796 . . 1 . . . . . 164 LEU N . 51416 1 217 . 1 . 1 123 123 THR H H 1 8.1155 . . 1 . . . . . 166 THR H . 51416 1 218 . 1 . 1 123 123 THR N N 15 113.8842 . . 1 . . . . . 166 THR N . 51416 1 219 . 1 . 1 124 124 GLU H H 1 8.3799 . . 1 . . . . . 167 GLU H . 51416 1 220 . 1 . 1 124 124 GLU N N 15 124.0931 . . 1 . . . . . 167 GLU N . 51416 1 221 . 1 . 1 125 125 GLU H H 1 8.2221 . . 1 . . . . . 168 GLU H . 51416 1 222 . 1 . 1 125 125 GLU N N 15 128.2333 . . 1 . . . . . 168 GLU N . 51416 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51416 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'BD1 15N-NOE 600' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 10 '1H-15N heteronoe' . . . 51416 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51416 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 1 1 ASN N N 15 . 1 1 1 1 ASN H H 1 -1.4201 0.2156 . . . 44 ASN N . 44 ASN H 51416 1 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.3244 0.013722 . . . 49 GLU N . 49 GLU H 51416 1 3 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 -0.1326 0.057982 . . . 50 THR N . 50 THR H 51416 1 4 . 1 1 8 8 SER N N 15 . 1 1 8 8 SER H H 1 0.2918 0.10668 . . . 51 SER N . 51 SER H 51416 1 5 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.1399 0.031194 . . . 54 ASN N . 54 ASN H 51416 1 6 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.4933 0.031816 . . . 55 LYS N . 55 LYS H 51416 1 7 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.3894 0.015912 . . . 57 LYS N . 57 LYS H 51416 1 8 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.6625 0.044036 . . . 58 ARG N . 58 ARG H 51416 1 9 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.817 0.087245 . . . 60 THR N . 60 THR H 51416 1 10 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.6946 0.046318 . . . 61 ASN N . 61 ASN H 51416 1 11 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.6677 0.046725 . . . 62 GLN N . 62 GLN H 51416 1 12 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 1.0127 0.043546 . . . 64 GLN N . 64 GLN H 51416 1 13 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.7928 0.026269 . . . 65 TYR N . 65 TYR H 51416 1 14 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.8239 0.024258 . . . 66 LEU N . 66 LEU H 51416 1 15 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.853 0.01329 . . . 67 LEU N . 67 LEU H 51416 1 16 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.7965 0.031481 . . . 68 ARG N . 68 ARG H 51416 1 17 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.7661 0.017937 . . . 69 VAL N . 69 VAL H 51416 1 18 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.7676 0.021703 . . . 70 VAL N . 70 VAL H 51416 1 19 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.7861 0.020241 . . . 71 LEU N . 71 LEU H 51416 1 20 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.7432 0.021322 . . . 72 LYS N . 72 LYS H 51416 1 21 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.8116 0.019095 . . . 73 THR N . 73 THR H 51416 1 22 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.8669 0.026325 . . . 74 LEU N . 74 LEU H 51416 1 23 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.8209 0.021195 . . . 75 TRP N . 75 TRP H 51416 1 24 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.776 0.023287 . . . 76 LYS N . 76 LYS H 51416 1 25 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.7922 0.017123 . . . 77 HIS N . 77 HIS H 51416 1 26 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.786 0.023202 . . . 78 GLN N . 78 GLN H 51416 1 27 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.7926 0.029186 . . . 79 PHE N . 79 PHE H 51416 1 28 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.8057 0.018858 . . . 80 ALA N . 80 ALA H 51416 1 29 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.7957 0.017009 . . . 81 TRP N . 81 TRP H 51416 1 30 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.8127 0.024551 . . . 83 PHE N . 83 PHE H 51416 1 31 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.7553 0.014783 . . . 85 GLN N . 85 GLN H 51416 1 32 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.7753 0.023771 . . . 87 VAL N . 87 VAL H 51416 1 33 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.8205 0.066771 . . . 88 ASP N . 88 ASP H 51416 1 34 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.6962 0.050167 . . . 89 ALA N . 89 ALA H 51416 1 35 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.5675 0.018488 . . . 91 LYS N . 91 LYS H 51416 1 36 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.6982 0.021623 . . . 92 LEU N . 92 LEU H 51416 1 37 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.6806 0.016552 . . . 93 ASN N . 93 ASN H 51416 1 38 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.7418 0.025599 . . . 94 LEU N . 94 LEU H 51416 1 39 . 1 1 54 54 TYR N N 15 . 1 1 54 54 TYR H H 1 0.7606 0.027044 . . . 97 TYR N . 97 TYR H 51416 1 40 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.8617 0.056029 . . . 98 TYR N . 98 TYR H 51416 1 41 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.6713 0.017793 . . . 99 LYS N . 99 LYS H 51416 1 42 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.7361 0.022989 . . . 100 ILE N . 100 ILE H 51416 1 43 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.7535 0.021574 . . . 101 ILE N . 101 ILE H 51416 1 44 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7512 0.023388 . . . 102 LYS N . 102 LYS H 51416 1 45 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.6759 0.019696 . . . 103 THR N . 103 THR H 51416 1 46 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8324 0.066145 . . . 105 MET N . 105 MET H 51416 1 47 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.8259 0.020996 . . . 106 ASP N . 106 ASP H 51416 1 48 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8263 0.028299 . . . 107 MET N . 107 MET H 51416 1 49 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.8635 0.032687 . . . 108 GLY N . 108 GLY H 51416 1 50 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8304 0.023451 . . . 110 ILE N . 110 ILE H 51416 1 51 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8273 0.021687 . . . 111 LYS N . 111 LYS H 51416 1 52 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.82 0.025375 . . . 112 LYS N . 112 LYS H 51416 1 53 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.9132 0.049802 . . . 113 ARG N . 113 ARG H 51416 1 54 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.8322 0.027224 . . . 114 LEU N . 114 LEU H 51416 1 55 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.8329 0.036417 . . . 115 GLU N . 115 GLU H 51416 1 56 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.8584 0.053968 . . . 116 ASN N . 116 ASN H 51416 1 57 . 1 1 74 74 ASN N N 15 . 1 1 74 74 ASN H H 1 0.6702 0.041528 . . . 117 ASN N . 117 ASN H 51416 1 58 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8811 0.051457 . . . 118 TYR N . 118 TYR H 51416 1 59 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.8442 0.02544 . . . 119 TYR N . 119 TYR H 51416 1 60 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.8315 0.037066 . . . 120 TRP N . 120 TRP H 51416 1 61 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.8187 0.056573 . . . 122 ALA N . 122 ALA H 51416 1 62 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.813 0.033112 . . . 123 GLN N . 123 GLN H 51416 1 63 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.7928 0.020704 . . . 124 GLU N . 124 GLU H 51416 1 64 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.8426 0.023862 . . . 125 CYS N . 125 CYS H 51416 1 65 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.8201 0.026993 . . . 126 ILE N . 126 ILE H 51416 1 66 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.7803 0.01715 . . . 127 GLN N . 127 GLN H 51416 1 67 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.799 0.018393 . . . 128 ASP N . 128 ASP H 51416 1 68 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.8284 0.025287 . . . 129 PHE N . 129 PHE H 51416 1 69 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8264 0.019297 . . . 130 ASN N . 130 ASN H 51416 1 70 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8242 0.018074 . . . 131 THR N . 131 THR H 51416 1 71 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.8139 0.021268 . . . 132 MET N . 132 MET H 51416 1 72 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.8574 0.025178 . . . 133 PHE N . 133 PHE H 51416 1 73 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8323 0.021923 . . . 134 THR N . 134 THR H 51416 1 74 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8481 0.019277 . . . 135 ASN N . 135 ASN H 51416 1 75 . 1 1 93 93 CYS N N 15 . 1 1 93 93 CYS H H 1 0.8032 0.019219 . . . 136 CYS N . 136 CYS H 51416 1 76 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.7946 0.018097 . . . 137 TYR N . 137 TYR H 51416 1 77 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.8065 0.022587 . . . 138 ILE N . 138 ILE H 51416 1 78 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.739 0.018114 . . . 140 ASN N . 140 ASN H 51416 1 79 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.7222 0.019198 . . . 141 LYS N . 141 LYS H 51416 1 80 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.6781 0.016369 . . . 143 GLY N . 143 GLY H 51416 1 81 . 1 1 101 101 ASP N N 15 . 1 1 101 101 ASP H H 1 0.7475 0.015136 . . . 144 ASP N . 144 ASP H 51416 1 82 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.778 0.0177 . . . 145 ASP N . 145 ASP H 51416 1 83 . 1 1 103 103 ILE N N 15 . 1 1 103 103 ILE H H 1 0.7823 0.016351 . . . 146 ILE N . 146 ILE H 51416 1 84 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.816 0.023889 . . . 147 VAL N . 147 VAL H 51416 1 85 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.8191 0.022422 . . . 148 LEU N . 148 LEU H 51416 1 86 . 1 1 106 106 MET N N 15 . 1 1 106 106 MET H H 1 0.7972 0.023854 . . . 149 MET N . 149 MET H 51416 1 87 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 0.8175 0.019882 . . . 150 ALA N . 150 ALA H 51416 1 88 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.8158 0.021427 . . . 151 GLU N . 151 GLU H 51416 1 89 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.7977 0.016612 . . . 152 ALA N . 152 ALA H 51416 1 90 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8171 0.022477 . . . 153 LEU N . 153 LEU H 51416 1 91 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.8097 0.020463 . . . 154 GLU N . 154 GLU H 51416 1 92 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8532 0.01965 . . . 155 LYS N . 155 LYS H 51416 1 93 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.804 0.017657 . . . 156 LEU N . 156 LEU H 51416 1 94 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8089 0.018134 . . . 157 PHE N . 157 PHE H 51416 1 95 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8431 0.02637 . . . 158 LEU N . 158 LEU H 51416 1 96 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.7524 0.017086 . . . 159 GLN N . 159 GLN H 51416 1 97 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.7976 0.020372 . . . 160 LYS N . 160 LYS H 51416 1 98 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8451 0.023214 . . . 161 ILE N . 161 ILE H 51416 1 99 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.7693 0.017018 . . . 162 ASN N . 162 ASN H 51416 1 100 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.6754 0.018951 . . . 163 GLU N . 163 GLU H 51416 1 101 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.6383 0.014395 . . . 164 LEU N . 164 LEU H 51416 1 102 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.669 0.019125 . . . 166 THR N . 166 THR H 51416 1 103 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 0.53 0.020908 . . . 167 GLU N . 167 GLU H 51416 1 104 . 1 1 125 125 GLU N N 15 . 1 1 125 125 GLU H H 1 0.2081 0.018891 . . . 168 GLU N . 168 GLU H 51416 1 stop_ save_ save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51416 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'BD1 15N-NOE 800' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '1H-15N heteronoe' . . . 51416 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51416 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 1 1 ASN N N 15 . 1 1 1 1 ASN H H 1 -0.4833 0.078448 . . . 44 ASN N . 44 ASN H 51416 2 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.1955 0.013545 . . . 49 GLU N . 49 GLU H 51416 2 3 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.3482 0.080962 . . . 50 THR N . 50 THR H 51416 2 4 . 1 1 8 8 SER N N 15 . 1 1 8 8 SER H H 1 0.2768 0.077595 . . . 51 SER N . 51 SER H 51416 2 5 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.3566 0.027211 . . . 54 ASN N . 54 ASN H 51416 2 6 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.3203 0.03144 . . . 55 LYS N . 55 LYS H 51416 2 7 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.4486 0.017107 . . . 57 LYS N . 57 LYS H 51416 2 8 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.7097 0.038273 . . . 58 ARG N . 58 ARG H 51416 2 9 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.7078 0.084471 . . . 60 THR N . 60 THR H 51416 2 10 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.7098 0.05784 . . . 61 ASN N . 61 ASN H 51416 2 11 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.8421 0.051434 . . . 62 GLN N . 62 GLN H 51416 2 12 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.9109 0.032882 . . . 64 GLN N . 64 GLN H 51416 2 13 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8931 0.029176 . . . 65 TYR N . 65 TYR H 51416 2 14 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.8633 0.026689 . . . 66 LEU N . 66 LEU H 51416 2 15 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.7768 0.025404 . . . 67 LEU N . 67 LEU H 51416 2 16 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.9255 0.038046 . . . 68 ARG N . 68 ARG H 51416 2 17 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.8206 0.023654 . . . 69 VAL N . 69 VAL H 51416 2 18 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.8305 0.025274 . . . 70 VAL N . 70 VAL H 51416 2 19 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.8208 0.02271 . . . 71 LEU N . 71 LEU H 51416 2 20 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.826 0.020899 . . . 72 LYS N . 72 LYS H 51416 2 21 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.7788 0.017624 . . . 73 THR N . 73 THR H 51416 2 22 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.8449 0.020947 . . . 74 LEU N . 74 LEU H 51416 2 23 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.8506 0.021501 . . . 75 TRP N . 75 TRP H 51416 2 24 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.8218 0.021744 . . . 76 LYS N . 76 LYS H 51416 2 25 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.8225 0.018887 . . . 77 HIS N . 77 HIS H 51416 2 26 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.8082 0.025746 . . . 78 GLN N . 78 GLN H 51416 2 27 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.8265 0.035564 . . . 79 PHE N . 79 PHE H 51416 2 28 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.8706 0.016597 . . . 80 ALA N . 80 ALA H 51416 2 29 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.8212 0.018022 . . . 81 TRP N . 81 TRP H 51416 2 30 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.8592 0.026348 . . . 83 PHE N . 83 PHE H 51416 2 31 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.7875 0.015453 . . . 85 GLN N . 85 GLN H 51416 2 32 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.802 0.027208 . . . 87 VAL N . 87 VAL H 51416 2 33 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.7956 0.050695 . . . 88 ASP N . 88 ASP H 51416 2 34 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.6803 0.03468 . . . 89 ALA N . 89 ALA H 51416 2 35 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.6446 0.020959 . . . 91 LYS N . 91 LYS H 51416 2 36 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.6934 0.022173 . . . 92 LEU N . 92 LEU H 51416 2 37 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7687 0.020622 . . . 93 ASN N . 93 ASN H 51416 2 38 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.7283 0.027149 . . . 94 LEU N . 94 LEU H 51416 2 39 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.6767 0.078383 . . . 96 ASP N . 96 ASP H 51416 2 40 . 1 1 54 54 TYR N N 15 . 1 1 54 54 TYR H H 1 0.8438 0.036247 . . . 97 TYR N . 97 TYR H 51416 2 41 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.8487 0.045486 . . . 98 TYR N . 98 TYR H 51416 2 42 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.7797 0.020187 . . . 99 LYS N . 99 LYS H 51416 2 43 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.7674 0.023241 . . . 100 ILE N . 100 ILE H 51416 2 44 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.8288 0.024427 . . . 101 ILE N . 101 ILE H 51416 2 45 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7856 0.026323 . . . 102 LYS N . 102 LYS H 51416 2 46 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.7858 0.023317 . . . 103 THR N . 103 THR H 51416 2 47 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8939 0.068118 . . . 105 MET N . 105 MET H 51416 2 48 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.8762 0.019404 . . . 106 ASP N . 106 ASP H 51416 2 49 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8321 0.030736 . . . 107 MET N . 107 MET H 51416 2 50 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.8604 0.037316 . . . 108 GLY N . 108 GLY H 51416 2 51 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8528 0.021507 . . . 110 ILE N . 110 ILE H 51416 2 52 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8916 0.02362 . . . 111 LYS N . 111 LYS H 51416 2 53 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8589 0.027653 . . . 112 LYS N . 112 LYS H 51416 2 54 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.9106 0.044185 . . . 113 ARG N . 113 ARG H 51416 2 55 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.8796 0.029201 . . . 114 LEU N . 114 LEU H 51416 2 56 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.8481 0.036582 . . . 115 GLU N . 115 GLU H 51416 2 57 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.9052 0.046914 . . . 116 ASN N . 116 ASN H 51416 2 58 . 1 1 74 74 ASN N N 15 . 1 1 74 74 ASN H H 1 0.7342 0.032329 . . . 117 ASN N . 117 ASN H 51416 2 59 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8606 0.037462 . . . 118 TYR N . 118 TYR H 51416 2 60 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.8494 0.027613 . . . 119 TYR N . 119 TYR H 51416 2 61 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.8246 0.037785 . . . 120 TRP N . 120 TRP H 51416 2 62 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.9826 0.092613 . . . 122 ALA N . 122 ALA H 51416 2 63 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.7735 0.028584 . . . 123 GLN N . 123 GLN H 51416 2 64 . 1 1 81 81 GLU N N 15 . 1 1 81 81 GLU H H 1 0.8407 0.020795 . . . 124 GLU N . 124 GLU H 51416 2 65 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.8184 0.019842 . . . 125 CYS N . 125 CYS H 51416 2 66 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.8675 0.026054 . . . 126 ILE N . 126 ILE H 51416 2 67 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.8322 0.017041 . . . 127 GLN N . 127 GLN H 51416 2 68 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8216 0.019525 . . . 128 ASP N . 128 ASP H 51416 2 69 . 1 1 86 86 PHE N N 15 . 1 1 86 86 PHE H H 1 0.8837 0.023836 . . . 129 PHE N . 129 PHE H 51416 2 70 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.886 0.020367 . . . 130 ASN N . 130 ASN H 51416 2 71 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8789 0.018067 . . . 131 THR N . 131 THR H 51416 2 72 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.8644 0.023832 . . . 132 MET N . 132 MET H 51416 2 73 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.901 0.028831 . . . 133 PHE N . 133 PHE H 51416 2 74 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8551 0.024847 . . . 134 THR N . 134 THR H 51416 2 75 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8726 0.019248 . . . 135 ASN N . 135 ASN H 51416 2 76 . 1 1 93 93 CYS N N 15 . 1 1 93 93 CYS H H 1 0.8635 0.017499 . . . 136 CYS N . 136 CYS H 51416 2 77 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.877 0.02067 . . . 137 TYR N . 137 TYR H 51416 2 78 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.8174 0.024482 . . . 138 ILE N . 138 ILE H 51416 2 79 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.8349 0.021858 . . . 140 ASN N . 140 ASN H 51416 2 80 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS H H 1 0.7168 0.01712 . . . 141 LYS N . 141 LYS H 51416 2 81 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.7308 0.019719 . . . 143 GLY N . 143 GLY H 51416 2 82 . 1 1 101 101 ASP N N 15 . 1 1 101 101 ASP H H 1 0.8404 0.0145 . . . 144 ASP N . 144 ASP H 51416 2 83 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.8153 0.016984 . . . 145 ASP N . 145 ASP H 51416 2 84 . 1 1 103 103 ILE N N 15 . 1 1 103 103 ILE H H 1 0.7728 0.017212 . . . 146 ILE N . 146 ILE H 51416 2 85 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8199 0.020994 . . . 147 VAL N . 147 VAL H 51416 2 86 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.8568 0.021682 . . . 148 LEU N . 148 LEU H 51416 2 87 . 1 1 106 106 MET N N 15 . 1 1 106 106 MET H H 1 0.8494 0.022413 . . . 149 MET N . 149 MET H 51416 2 88 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 0.8252 0.018934 . . . 150 ALA N . 150 ALA H 51416 2 89 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.8534 0.020163 . . . 151 GLU N . 151 GLU H 51416 2 90 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.8422 0.017709 . . . 152 ALA N . 152 ALA H 51416 2 91 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8756 0.020566 . . . 153 LEU N . 153 LEU H 51416 2 92 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.9008 0.020734 . . . 154 GLU N . 154 GLU H 51416 2 93 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8521 0.019577 . . . 155 LYS N . 155 LYS H 51416 2 94 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8206 0.016066 . . . 156 LEU N . 156 LEU H 51416 2 95 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.849 0.019795 . . . 157 PHE N . 157 PHE H 51416 2 96 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8612 0.024556 . . . 158 LEU N . 158 LEU H 51416 2 97 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8365 0.018311 . . . 159 GLN N . 159 GLN H 51416 2 98 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.8084 0.020162 . . . 160 LYS N . 160 LYS H 51416 2 99 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8132 0.021455 . . . 161 ILE N . 161 ILE H 51416 2 100 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.8716 0.019789 . . . 162 ASN N . 162 ASN H 51416 2 101 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.716 0.017529 . . . 163 GLU N . 163 GLU H 51416 2 102 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.6976 0.013886 . . . 164 LEU N . 164 LEU H 51416 2 103 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.6441 0.018965 . . . 166 THR N . 166 THR H 51416 2 104 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 0.5559 0.019988 . . . 167 GLU N . 167 GLU H 51416 2 105 . 1 1 125 125 GLU N N 15 . 1 1 125 125 GLU H H 1 0.4641 0.017498 . . . 168 GLU N . 168 GLU H 51416 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51416 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'BD1 15N-T1 600' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 'T1/R1 relaxation' . . . 51416 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 51416 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 1 1 ASN N N 15 0.96151 0.20441 . . 44 ASN N 51416 1 2 . 1 1 6 6 GLU N N 15 1.3835 0.02379 . . 49 GLU N 51416 1 3 . 1 1 7 7 THR N N 15 1.559 0.17412 . . 50 THR N 51416 1 4 . 1 1 8 8 SER N N 15 1.5893 0.27163 . . 51 SER N 51416 1 5 . 1 1 11 11 ASN N N 15 1.4662 0.074512 . . 54 ASN N 51416 1 6 . 1 1 12 12 LYS N N 15 1.3118 0.059203 . . 55 LYS N 51416 1 7 . 1 1 14 14 LYS N N 15 1.4418 0.036572 . . 57 LYS N 51416 1 8 . 1 1 15 15 ARG N N 15 1.2959 0.082659 . . 58 ARG N 51416 1 9 . 1 1 17 17 THR N N 15 1.4386 0.18511 . . 60 THR N 51416 1 10 . 1 1 18 18 ASN N N 15 1.439 0.16094 . . 61 ASN N 51416 1 11 . 1 1 19 19 GLN N N 15 1.4464 0.11351 . . 62 GLN N 51416 1 12 . 1 1 21 21 GLN N N 15 1.2984 0.058834 . . 64 GLN N 51416 1 13 . 1 1 22 22 TYR N N 15 1.3812 0.056892 . . 65 TYR N 51416 1 14 . 1 1 23 23 LEU N N 15 1.3757 0.046921 . . 66 LEU N 51416 1 15 . 1 1 24 24 LEU N N 15 1.3349 0.035966 . . 67 LEU N 51416 1 16 . 1 1 25 25 ARG N N 15 1.3701 0.061805 . . 68 ARG N 51416 1 17 . 1 1 26 26 VAL N N 15 1.4834 0.036168 . . 69 VAL N 51416 1 18 . 1 1 27 27 VAL N N 15 1.2986 0.041384 . . 70 VAL N 51416 1 19 . 1 1 28 28 LEU N N 15 1.2457 0.037843 . . 71 LEU N 51416 1 20 . 1 1 29 29 LYS N N 15 1.2469 0.039479 . . 72 LYS N 51416 1 21 . 1 1 30 30 THR N N 15 1.3467 0.03652 . . 73 THR N 51416 1 22 . 1 1 31 31 LEU N N 15 1.3641 0.045406 . . 74 LEU N 51416 1 23 . 1 1 32 32 TRP N N 15 1.2692 0.039106 . . 75 TRP N 51416 1 24 . 1 1 33 33 LYS N N 15 1.2928 0.041672 . . 76 LYS N 51416 1 25 . 1 1 34 34 HIS N N 15 1.48 0.036936 . . 77 HIS N 51416 1 26 . 1 1 35 35 GLN N N 15 1.3704 0.055282 . . 78 GLN N 51416 1 27 . 1 1 36 36 PHE N N 15 1.3262 0.057146 . . 79 PHE N 51416 1 28 . 1 1 37 37 ALA N N 15 1.5323 0.036281 . . 80 ALA N 51416 1 29 . 1 1 38 38 TRP N N 15 1.4111 0.036622 . . 81 TRP N 51416 1 30 . 1 1 40 40 PHE N N 15 1.434 0.048016 . . 83 PHE N 51416 1 31 . 1 1 42 42 GLN N N 15 1.374 0.027873 . . 85 GLN N 51416 1 32 . 1 1 44 44 VAL N N 15 1.3445 0.045683 . . 87 VAL N 51416 1 33 . 1 1 45 45 ASP N N 15 1.546 0.1306 . . 88 ASP N 51416 1 34 . 1 1 46 46 ALA N N 15 1.263 0.067689 . . 89 ALA N 51416 1 35 . 1 1 48 48 LYS N N 15 1.3038 0.035106 . . 91 LYS N 51416 1 36 . 1 1 49 49 LEU N N 15 1.3145 0.039806 . . 92 LEU N 51416 1 37 . 1 1 50 50 ASN N N 15 1.4296 0.038012 . . 93 ASN N 51416 1 38 . 1 1 51 51 LEU N N 15 1.413 0.045856 . . 94 LEU N 51416 1 39 . 1 1 54 54 TYR N N 15 1.4469 0.052207 . . 97 TYR N 51416 1 40 . 1 1 55 55 TYR N N 15 1.4511 0.092917 . . 98 TYR N 51416 1 41 . 1 1 56 56 LYS N N 15 1.3477 0.036574 . . 99 LYS N 51416 1 42 . 1 1 57 57 ILE N N 15 1.3884 0.045418 . . 100 ILE N 51416 1 43 . 1 1 58 58 ILE N N 15 1.3822 0.045155 . . 101 ILE N 51416 1 44 . 1 1 59 59 LYS N N 15 1.3866 0.043412 . . 102 LYS N 51416 1 45 . 1 1 60 60 THR N N 15 1.4015 0.039153 . . 103 THR N 51416 1 46 . 1 1 62 62 MET N N 15 1.3717 0.10251 . . 105 MET N 51416 1 47 . 1 1 63 63 ASP N N 15 1.2933 0.040772 . . 106 ASP N 51416 1 48 . 1 1 64 64 MET N N 15 1.3004 0.051454 . . 107 MET N 51416 1 49 . 1 1 65 65 GLY N N 15 1.3782 0.064131 . . 108 GLY N 51416 1 50 . 1 1 67 67 ILE N N 15 1.268 0.046581 . . 110 ILE N 51416 1 51 . 1 1 68 68 LYS N N 15 1.3427 0.038722 . . 111 LYS N 51416 1 52 . 1 1 69 69 LYS N N 15 1.3852 0.049741 . . 112 LYS N 51416 1 53 . 1 1 70 70 ARG N N 15 1.253 0.074919 . . 113 ARG N 51416 1 54 . 1 1 71 71 LEU N N 15 1.2887 0.046374 . . 114 LEU N 51416 1 55 . 1 1 72 72 GLU N N 15 1.2423 0.052163 . . 115 GLU N 51416 1 56 . 1 1 73 73 ASN N N 15 1.3623 0.081948 . . 116 ASN N 51416 1 57 . 1 1 74 74 ASN N N 15 1.5132 0.091862 . . 117 ASN N 51416 1 58 . 1 1 75 75 TYR N N 15 1.4297 0.079375 . . 118 TYR N 51416 1 59 . 1 1 76 76 TYR N N 15 1.5099 0.047374 . . 119 TYR N 51416 1 60 . 1 1 77 77 TRP N N 15 1.3955 0.077646 . . 120 TRP N 51416 1 61 . 1 1 79 79 ALA N N 15 1.4094 0.12658 . . 122 ALA N 51416 1 62 . 1 1 80 80 GLN N N 15 1.2693 0.048335 . . 123 GLN N 51416 1 63 . 1 1 81 81 GLU N N 15 1.3076 0.037659 . . 124 GLU N 51416 1 64 . 1 1 82 82 CYS N N 15 1.297 0.043705 . . 125 CYS N 51416 1 65 . 1 1 83 83 ILE N N 15 1.2081 0.05141 . . 126 ILE N 51416 1 66 . 1 1 84 84 GLN N N 15 1.2916 0.028309 . . 127 GLN N 51416 1 67 . 1 1 85 85 ASP N N 15 1.2792 0.034836 . . 128 ASP N 51416 1 68 . 1 1 86 86 PHE N N 15 1.2941 0.047762 . . 129 PHE N 51416 1 69 . 1 1 87 87 ASN N N 15 1.2482 0.032624 . . 130 ASN N 51416 1 70 . 1 1 88 88 THR N N 15 1.3039 0.035498 . . 131 THR N 51416 1 71 . 1 1 89 89 MET N N 15 1.308 0.041436 . . 132 MET N 51416 1 72 . 1 1 90 90 PHE N N 15 1.2948 0.045614 . . 133 PHE N 51416 1 73 . 1 1 91 91 THR N N 15 1.2662 0.041575 . . 134 THR N 51416 1 74 . 1 1 92 92 ASN N N 15 1.4039 0.036382 . . 135 ASN N 51416 1 75 . 1 1 93 93 CYS N N 15 1.2929 0.036235 . . 136 CYS N 51416 1 76 . 1 1 94 94 TYR N N 15 1.3234 0.034796 . . 137 TYR N 51416 1 77 . 1 1 95 95 ILE N N 15 1.3335 0.040814 . . 138 ILE N 51416 1 78 . 1 1 97 97 ASN N N 15 1.3079 0.034241 . . 140 ASN N 51416 1 79 . 1 1 98 98 LYS N N 15 1.285 0.028561 . . 141 LYS N 51416 1 80 . 1 1 100 100 GLY N N 15 1.2286 0.031968 . . 143 GLY N 51416 1 81 . 1 1 101 101 ASP N N 15 1.4799 0.02968 . . 144 ASP N 51416 1 82 . 1 1 102 102 ASP N N 15 1.2444 0.029139 . . 145 ASP N 51416 1 83 . 1 1 103 103 ILE N N 15 1.3257 0.029117 . . 146 ILE N 51416 1 84 . 1 1 104 104 VAL N N 15 1.331 0.043904 . . 147 VAL N 51416 1 85 . 1 1 105 105 LEU N N 15 1.3189 0.035543 . . 148 LEU N 51416 1 86 . 1 1 106 106 MET N N 15 1.4201 0.04931 . . 149 MET N 51416 1 87 . 1 1 107 107 ALA N N 15 1.3309 0.034727 . . 150 ALA N 51416 1 88 . 1 1 108 108 GLU N N 15 1.2708 0.035785 . . 151 GLU N 51416 1 89 . 1 1 109 109 ALA N N 15 1.4006 0.031961 . . 152 ALA N 51416 1 90 . 1 1 110 110 LEU N N 15 1.3811 0.046902 . . 153 LEU N 51416 1 91 . 1 1 111 111 GLU N N 15 1.2598 0.037634 . . 154 GLU N 51416 1 92 . 1 1 112 112 LYS N N 15 1.2907 0.032291 . . 155 LYS N 51416 1 93 . 1 1 113 113 LEU N N 15 1.3215 0.035125 . . 156 LEU N 51416 1 94 . 1 1 114 114 PHE N N 15 1.2896 0.032577 . . 157 PHE N 51416 1 95 . 1 1 115 115 LEU N N 15 1.2833 0.043205 . . 158 LEU N 51416 1 96 . 1 1 116 116 GLN N N 15 1.2691 0.02764 . . 159 GLN N 51416 1 97 . 1 1 117 117 LYS N N 15 1.322 0.033456 . . 160 LYS N 51416 1 98 . 1 1 118 118 ILE N N 15 1.3063 0.039547 . . 161 ILE N 51416 1 99 . 1 1 119 119 ASN N N 15 1.335 0.029189 . . 162 ASN N 51416 1 100 . 1 1 120 120 GLU N N 15 1.279 0.036509 . . 163 GLU N 51416 1 101 . 1 1 121 121 LEU N N 15 1.3681 0.03004 . . 164 LEU N 51416 1 102 . 1 1 123 123 THR N N 15 1.3252 0.032637 . . 166 THR N 51416 1 103 . 1 1 124 124 GLU N N 15 1.4847 0.042704 . . 167 GLU N 51416 1 104 . 1 1 125 125 GLU N N 15 1.4323 0.037888 . . 168 GLU N 51416 1 stop_ save_ save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 51416 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name 'BD1 15N-T1 800' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 7 'T1/R1 relaxation' . . . 51416 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 51416 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 1 1 ASN N N 15 0.96043 0.14746 . . 44 ASN N 51416 2 2 . 1 1 6 6 GLU N N 15 1.3148 0.022662 . . 49 GLU N 51416 2 3 . 1 1 7 7 THR N N 15 1.282 0.17128 . . 50 THR N 51416 2 4 . 1 1 8 8 SER N N 15 1.1357 0.23278 . . 51 SER N 51416 2 5 . 1 1 11 11 ASN N N 15 1.263 0.057163 . . 54 ASN N 51416 2 6 . 1 1 12 12 LYS N N 15 1.1777 0.048889 . . 55 LYS N 51416 2 7 . 1 1 14 14 LYS N N 15 1.1903 0.030174 . . 57 LYS N 51416 2 8 . 1 1 15 15 ARG N N 15 1.0916 0.058019 . . 58 ARG N 51416 2 9 . 1 1 17 17 THR N N 15 0.99738 0.16612 . . 60 THR N 51416 2 10 . 1 1 18 18 ASN N N 15 0.92842 0.13641 . . 61 ASN N 51416 2 11 . 1 1 19 19 GLN N N 15 1.0141 0.066008 . . 62 GLN N 51416 2 12 . 1 1 21 21 GLN N N 15 0.95139 0.036114 . . 64 GLN N 51416 2 13 . 1 1 22 22 TYR N N 15 1.0243 0.031985 . . 65 TYR N 51416 2 14 . 1 1 23 23 LEU N N 15 0.97602 0.030486 . . 66 LEU N 51416 2 15 . 1 1 24 24 LEU N N 15 0.92059 0.033075 . . 67 LEU N 51416 2 16 . 1 1 25 25 ARG N N 15 0.97168 0.037355 . . 68 ARG N 51416 2 17 . 1 1 26 26 VAL N N 15 1.0404 0.026698 . . 69 VAL N 51416 2 18 . 1 1 27 27 VAL N N 15 0.89101 0.026023 . . 70 VAL N 51416 2 19 . 1 1 28 28 LEU N N 15 0.93384 0.025225 . . 71 LEU N 51416 2 20 . 1 1 29 29 LYS N N 15 0.91555 0.021031 . . 72 LYS N 51416 2 21 . 1 1 30 30 THR N N 15 0.96088 0.019794 . . 73 THR N 51416 2 22 . 1 1 31 31 LEU N N 15 0.94149 0.023352 . . 74 LEU N 51416 2 23 . 1 1 32 32 TRP N N 15 0.91344 0.024032 . . 75 TRP N 51416 2 24 . 1 1 33 33 LYS N N 15 0.9391 0.023778 . . 76 LYS N 51416 2 25 . 1 1 34 34 HIS N N 15 1.0734 0.023091 . . 77 HIS N 51416 2 26 . 1 1 35 35 GLN N N 15 1.0396 0.043137 . . 78 GLN N 51416 2 27 . 1 1 36 36 PHE N N 15 0.96246 0.046502 . . 79 PHE N 51416 2 28 . 1 1 37 37 ALA N N 15 1.124 0.020758 . . 80 ALA N 51416 2 29 . 1 1 38 38 TRP N N 15 1.0394 0.023291 . . 81 TRP N 51416 2 30 . 1 1 40 40 PHE N N 15 1.0794 0.036173 . . 83 PHE N 51416 2 31 . 1 1 42 42 GLN N N 15 1.0549 0.019361 . . 85 GLN N 51416 2 32 . 1 1 44 44 VAL N N 15 0.97932 0.03154 . . 87 VAL N 51416 2 33 . 1 1 45 45 ASP N N 15 1.0701 0.075991 . . 88 ASP N 51416 2 34 . 1 1 46 46 ALA N N 15 0.98266 0.035794 . . 89 ALA N 51416 2 35 . 1 1 48 48 LYS N N 15 0.9678 0.026143 . . 91 LYS N 51416 2 36 . 1 1 49 49 LEU N N 15 0.9799 0.023684 . . 92 LEU N 51416 2 37 . 1 1 50 50 ASN N N 15 1.0755 0.023681 . . 93 ASN N 51416 2 38 . 1 1 51 51 LEU N N 15 0.97686 0.030193 . . 94 LEU N 51416 2 39 . 1 1 53 53 ASP N N 15 1.0158 0.17571 . . 96 ASP N 51416 2 40 . 1 1 54 54 TYR N N 15 1.0595 0.044498 . . 97 TYR N 51416 2 41 . 1 1 55 55 TYR N N 15 0.98417 0.053076 . . 98 TYR N 51416 2 42 . 1 1 56 56 LYS N N 15 1.0006 0.023668 . . 99 LYS N 51416 2 43 . 1 1 57 57 ILE N N 15 1.0046 0.027763 . . 100 ILE N 51416 2 44 . 1 1 58 58 ILE N N 15 0.98904 0.028143 . . 101 ILE N 51416 2 45 . 1 1 59 59 LYS N N 15 1.0274 0.029723 . . 102 LYS N 51416 2 46 . 1 1 60 60 THR N N 15 0.99504 0.026174 . . 103 THR N 51416 2 47 . 1 1 62 62 MET N N 15 0.91507 0.081163 . . 105 MET N 51416 2 48 . 1 1 63 63 ASP N N 15 0.95878 0.023619 . . 106 ASP N 51416 2 49 . 1 1 64 64 MET N N 15 0.92769 0.03634 . . 107 MET N 51416 2 50 . 1 1 65 65 GLY N N 15 1.0168 0.046792 . . 108 GLY N 51416 2 51 . 1 1 67 67 ILE N N 15 0.9294 0.02642 . . 110 ILE N 51416 2 52 . 1 1 68 68 LYS N N 15 0.93891 0.022914 . . 111 LYS N 51416 2 53 . 1 1 69 69 LYS N N 15 0.92618 0.02936 . . 112 LYS N 51416 2 54 . 1 1 70 70 ARG N N 15 0.94037 0.050282 . . 113 ARG N 51416 2 55 . 1 1 71 71 LEU N N 15 0.90065 0.029114 . . 114 LEU N 51416 2 56 . 1 1 72 72 GLU N N 15 0.93598 0.039899 . . 115 GLU N 51416 2 57 . 1 1 73 73 ASN N N 15 0.9156 0.044667 . . 116 ASN N 51416 2 58 . 1 1 74 74 ASN N N 15 1.0798 0.047477 . . 117 ASN N 51416 2 59 . 1 1 75 75 TYR N N 15 1.0388 0.043405 . . 118 TYR N 51416 2 60 . 1 1 76 76 TYR N N 15 1.0944 0.035814 . . 119 TYR N 51416 2 61 . 1 1 77 77 TRP N N 15 0.98852 0.047329 . . 120 TRP N 51416 2 62 . 1 1 79 79 ALA N N 15 0.93718 0.1186 . . 122 ALA N 51416 2 63 . 1 1 80 80 GLN N N 15 0.94377 0.032223 . . 123 GLN N 51416 2 64 . 1 1 81 81 GLU N N 15 0.96298 0.02141 . . 124 GLU N 51416 2 65 . 1 1 82 82 CYS N N 15 0.92588 0.021323 . . 125 CYS N 51416 2 66 . 1 1 83 83 ILE N N 15 0.91743 0.03065 . . 126 ILE N 51416 2 67 . 1 1 84 84 GLN N N 15 0.93854 0.017818 . . 127 GLN N 51416 2 68 . 1 1 85 85 ASP N N 15 0.92018 0.02233 . . 128 ASP N 51416 2 69 . 1 1 86 86 PHE N N 15 0.91134 0.026822 . . 129 PHE N 51416 2 70 . 1 1 87 87 ASN N N 15 0.87328 0.020478 . . 130 ASN N 51416 2 71 . 1 1 88 88 THR N N 15 0.92807 0.021036 . . 131 THR N 51416 2 72 . 1 1 89 89 MET N N 15 0.93347 0.026194 . . 132 MET N 51416 2 73 . 1 1 90 90 PHE N N 15 0.93235 0.030823 . . 133 PHE N 51416 2 74 . 1 1 91 91 THR N N 15 0.90707 0.028166 . . 134 THR N 51416 2 75 . 1 1 92 92 ASN N N 15 0.97187 0.022453 . . 135 ASN N 51416 2 76 . 1 1 93 93 CYS N N 15 0.91983 0.020447 . . 136 CYS N 51416 2 77 . 1 1 94 94 TYR N N 15 0.94358 0.022 . . 137 TYR N 51416 2 78 . 1 1 95 95 ILE N N 15 0.9672 0.028555 . . 138 ILE N 51416 2 79 . 1 1 97 97 ASN N N 15 0.89196 0.021117 . . 140 ASN N 51416 2 80 . 1 1 98 98 LYS N N 15 0.95366 0.017998 . . 141 LYS N 51416 2 81 . 1 1 100 100 GLY N N 15 0.90486 0.022346 . . 143 GLY N 51416 2 82 . 1 1 101 101 ASP N N 15 1.1031 0.01601 . . 144 ASP N 51416 2 83 . 1 1 102 102 ASP N N 15 0.90295 0.017709 . . 145 ASP N 51416 2 84 . 1 1 103 103 ILE N N 15 0.96585 0.018659 . . 146 ILE N 51416 2 85 . 1 1 104 104 VAL N N 15 0.94864 0.022845 . . 147 VAL N 51416 2 86 . 1 1 105 105 LEU N N 15 0.9538 0.022804 . . 148 LEU N 51416 2 87 . 1 1 106 106 MET N N 15 0.975 0.025219 . . 149 MET N 51416 2 88 . 1 1 107 107 ALA N N 15 0.93284 0.0205 . . 150 ALA N 51416 2 89 . 1 1 108 108 GLU N N 15 0.92608 0.020553 . . 151 GLU N 51416 2 90 . 1 1 109 109 ALA N N 15 0.9855 0.018698 . . 152 ALA N 51416 2 91 . 1 1 110 110 LEU N N 15 0.95664 0.021894 . . 153 LEU N 51416 2 92 . 1 1 111 111 GLU N N 15 0.93874 0.021329 . . 154 GLU N 51416 2 93 . 1 1 112 112 LYS N N 15 0.92719 0.0204 . . 155 LYS N 51416 2 94 . 1 1 113 113 LEU N N 15 0.96518 0.017155 . . 156 LEU N 51416 2 95 . 1 1 114 114 PHE N N 15 0.92603 0.021279 . . 157 PHE N 51416 2 96 . 1 1 115 115 LEU N N 15 0.93455 0.02583 . . 158 LEU N 51416 2 97 . 1 1 116 116 GLN N N 15 0.92726 0.018032 . . 159 GLN N 51416 2 98 . 1 1 117 117 LYS N N 15 0.92458 0.019528 . . 160 LYS N 51416 2 99 . 1 1 118 118 ILE N N 15 0.91995 0.023414 . . 161 ILE N 51416 2 100 . 1 1 119 119 ASN N N 15 1.0013 0.020091 . . 162 ASN N 51416 2 101 . 1 1 120 120 GLU N N 15 0.93556 0.019244 . . 163 GLU N 51416 2 102 . 1 1 121 121 LEU N N 15 1.0244 0.015466 . . 164 LEU N 51416 2 103 . 1 1 123 123 THR N N 15 1.0297 0.021775 . . 166 THR N 51416 2 104 . 1 1 124 124 GLU N N 15 1.2281 0.028215 . . 167 GLU N 51416 2 105 . 1 1 125 125 GLU N N 15 1.2259 0.023525 . . 168 GLU N 51416 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51416 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'BD1 15N-T2 600' _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 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 'T2/R2 relaxation' . . . 51416 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $software_3 . . 51416 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 1 1 ASN N N 15 0.71616 0.60566 . . . . 44 ASN N 51416 1 2 . 1 1 6 6 GLU N N 15 3.4121 0.071124 . . . . 49 GLU N 51416 1 3 . 1 1 7 7 THR N N 15 12.1624 1.0096 . . . . 50 THR N 51416 1 4 . 1 1 8 8 SER N N 15 9.3923 1.1461 . . . . 51 SER N 51416 1 5 . 1 1 11 11 ASN N N 15 6.6159 0.29718 . . . . 54 ASN N 51416 1 6 . 1 1 12 12 LYS N N 15 5.5134 0.23339 . . . . 55 LYS N 51416 1 7 . 1 1 14 14 LYS N N 15 6.8276 0.15518 . . . . 57 LYS N 51416 1 8 . 1 1 15 15 ARG N N 15 14.3493 0.65051 . . . . 58 ARG N 51416 1 9 . 1 1 17 17 THR N N 15 24.4025 2.9095 . . . . 60 THR N 51416 1 10 . 1 1 18 18 ASN N N 15 14.9486 1.401 . . . . 61 ASN N 51416 1 11 . 1 1 19 19 GLN N N 15 14.3915 0.96965 . . . . 62 GLN N 51416 1 12 . 1 1 21 21 GLN N N 15 13.6253 0.52856 . . . . 64 GLN N 51416 1 13 . 1 1 22 22 TYR N N 15 14.1073 0.52692 . . . . 65 TYR N 51416 1 14 . 1 1 23 23 LEU N N 15 13.3936 0.45463 . . . . 66 LEU N 51416 1 15 . 1 1 24 24 LEU N N 15 14.4322 0.45259 . . . . 67 LEU N 51416 1 16 . 1 1 25 25 ARG N N 15 14.1404 0.59748 . . . . 68 ARG N 51416 1 17 . 1 1 26 26 VAL N N 15 12.123 0.3662 . . . . 69 VAL N 51416 1 18 . 1 1 27 27 VAL N N 15 13.6747 0.42437 . . . . 70 VAL N 51416 1 19 . 1 1 28 28 LEU N N 15 14.1724 0.38615 . . . . 71 LEU N 51416 1 20 . 1 1 29 29 LYS N N 15 13.4684 0.47192 . . . . 72 LYS N 51416 1 21 . 1 1 30 30 THR N N 15 12.0024 0.3133 . . . . 73 THR N 51416 1 22 . 1 1 31 31 LEU N N 15 14.1794 0.45652 . . . . 74 LEU N 51416 1 23 . 1 1 32 32 TRP N N 15 13.3992 0.39697 . . . . 75 TRP N 51416 1 24 . 1 1 33 33 LYS N N 15 13.9024 0.39088 . . . . 76 LYS N 51416 1 25 . 1 1 34 34 HIS N N 15 12.562 0.27652 . . . . 77 HIS N 51416 1 26 . 1 1 35 35 GLN N N 15 12.3968 0.45635 . . . . 78 GLN N 51416 1 27 . 1 1 36 36 PHE N N 15 11.8664 0.46596 . . . . 79 PHE N 51416 1 28 . 1 1 37 37 ALA N N 15 12.3529 0.25302 . . . . 80 ALA N 51416 1 29 . 1 1 38 38 TRP N N 15 11.0414 0.25652 . . . . 81 TRP N 51416 1 30 . 1 1 40 40 PHE N N 15 13.006 0.43728 . . . . 83 PHE N 51416 1 31 . 1 1 42 42 GLN N N 15 12.0319 0.22382 . . . . 85 GLN N 51416 1 32 . 1 1 44 44 VAL N N 15 12.5471 0.4048 . . . . 87 VAL N 51416 1 33 . 1 1 45 45 ASP N N 15 18.7864 1.6202 . . . . 88 ASP N 51416 1 34 . 1 1 46 46 ALA N N 15 12.565 0.61391 . . . . 89 ALA N 51416 1 35 . 1 1 48 48 LYS N N 15 9.3053 0.26331 . . . . 91 LYS N 51416 1 36 . 1 1 49 49 LEU N N 15 14.3369 0.38183 . . . . 92 LEU N 51416 1 37 . 1 1 50 50 ASN N N 15 10.6305 0.24652 . . . . 93 ASN N 51416 1 38 . 1 1 51 51 LEU N N 15 13.0694 0.41731 . . . . 94 LEU N 51416 1 39 . 1 1 54 54 TYR N N 15 14.7341 0.49839 . . . . 97 TYR N 51416 1 40 . 1 1 55 55 TYR N N 15 13.7339 0.81355 . . . . 98 TYR N 51416 1 41 . 1 1 56 56 LYS N N 15 11.9257 0.32046 . . . . 99 LYS N 51416 1 42 . 1 1 57 57 ILE N N 15 10.7964 0.35771 . . . . 100 ILE N 51416 1 43 . 1 1 58 58 ILE N N 15 14.9774 0.48945 . . . . 101 ILE N 51416 1 44 . 1 1 59 59 LYS N N 15 11.5116 0.3478 . . . . 102 LYS N 51416 1 45 . 1 1 60 60 THR N N 15 10.3918 0.29328 . . . . 103 THR N 51416 1 46 . 1 1 62 62 MET N N 15 12.1326 1.098 . . . . 105 MET N 51416 1 47 . 1 1 63 63 ASP N N 15 12.4558 0.36905 . . . . 106 ASP N 51416 1 48 . 1 1 64 64 MET N N 15 14.3427 0.56157 . . . . 107 MET N 51416 1 49 . 1 1 65 65 GLY N N 15 12.8423 0.60005 . . . . 108 GLY N 51416 1 50 . 1 1 67 67 ILE N N 15 13.6305 0.4683 . . . . 110 ILE N 51416 1 51 . 1 1 68 68 LYS N N 15 14.8161 0.41608 . . . . 111 LYS N 51416 1 52 . 1 1 69 69 LYS N N 15 13.45 0.4993 . . . . 112 LYS N 51416 1 53 . 1 1 70 70 ARG N N 15 13.6932 0.76399 . . . . 113 ARG N 51416 1 54 . 1 1 71 71 LEU N N 15 14.0091 0.50655 . . . . 114 LEU N 51416 1 55 . 1 1 72 72 GLU N N 15 14.4059 0.59949 . . . . 115 GLU N 51416 1 56 . 1 1 73 73 ASN N N 15 11.0172 0.67275 . . . . 116 ASN N 51416 1 57 . 1 1 74 74 ASN N N 15 15.2678 0.80854 . . . . 117 ASN N 51416 1 58 . 1 1 75 75 TYR N N 15 13.7246 0.61808 . . . . 118 TYR N 51416 1 59 . 1 1 76 76 TYR N N 15 11.9188 0.3707 . . . . 119 TYR N 51416 1 60 . 1 1 77 77 TRP N N 15 11.987 0.57941 . . . . 120 TRP N 51416 1 61 . 1 1 79 79 ALA N N 15 13.3451 1.4302 . . . . 122 ALA N 51416 1 62 . 1 1 80 80 GLN N N 15 13.7717 0.54577 . . . . 123 GLN N 51416 1 63 . 1 1 81 81 GLU N N 15 14.2671 0.37231 . . . . 124 GLU N 51416 1 64 . 1 1 82 82 CYS N N 15 13.0393 0.41885 . . . . 125 CYS N 51416 1 65 . 1 1 83 83 ILE N N 15 15.2741 0.64177 . . . . 126 ILE N 51416 1 66 . 1 1 84 84 GLN N N 15 13.2531 0.27661 . . . . 127 GLN N 51416 1 67 . 1 1 85 85 ASP N N 15 13.0816 0.32747 . . . . 128 ASP N 51416 1 68 . 1 1 86 86 PHE N N 15 15.3489 0.53796 . . . . 129 PHE N 51416 1 69 . 1 1 87 87 ASN N N 15 13.8819 0.33844 . . . . 130 ASN N 51416 1 70 . 1 1 88 88 THR N N 15 13.3422 0.33966 . . . . 131 THR N 51416 1 71 . 1 1 89 89 MET N N 15 13.4062 0.41541 . . . . 132 MET N 51416 1 72 . 1 1 90 90 PHE N N 15 13.7448 0.50298 . . . . 133 PHE N 51416 1 73 . 1 1 91 91 THR N N 15 13.8405 0.41355 . . . . 134 THR N 51416 1 74 . 1 1 92 92 ASN N N 15 14.1923 0.33756 . . . . 135 ASN N 51416 1 75 . 1 1 93 93 CYS N N 15 13.5953 0.36009 . . . . 136 CYS N 51416 1 76 . 1 1 94 94 TYR N N 15 14.1782 0.33565 . . . . 137 TYR N 51416 1 77 . 1 1 95 95 ILE N N 15 12.7697 0.38883 . . . . 138 ILE N 51416 1 78 . 1 1 97 97 ASN N N 15 13.6035 0.36275 . . . . 140 ASN N 51416 1 79 . 1 1 98 98 LYS N N 15 9.8627 0.20323 . . . . 141 LYS N 51416 1 80 . 1 1 100 100 GLY N N 15 12.4217 0.32532 . . . . 143 GLY N 51416 1 81 . 1 1 101 101 ASP N N 15 11.5859 0.21627 . . . . 144 ASP N 51416 1 82 . 1 1 102 102 ASP N N 15 11.8272 0.26106 . . . . 145 ASP N 51416 1 83 . 1 1 103 103 ILE N N 15 12.7091 0.25865 . . . . 146 ILE N 51416 1 84 . 1 1 104 104 VAL N N 15 15.308 0.48417 . . . . 147 VAL N 51416 1 85 . 1 1 105 105 LEU N N 15 14.6554 0.40292 . . . . 148 LEU N 51416 1 86 . 1 1 106 106 MET N N 15 12.262 0.43914 . . . . 149 MET N 51416 1 87 . 1 1 107 107 ALA N N 15 12.9754 0.32218 . . . . 150 ALA N 51416 1 88 . 1 1 108 108 GLU N N 15 13.8586 0.34472 . . . . 151 GLU N 51416 1 89 . 1 1 109 109 ALA N N 15 13.1174 0.27465 . . . . 152 ALA N 51416 1 90 . 1 1 110 110 LEU N N 15 13.4146 0.39982 . . . . 153 LEU N 51416 1 91 . 1 1 111 111 GLU N N 15 14.4178 0.39699 . . . . 154 GLU N 51416 1 92 . 1 1 112 112 LYS N N 15 14.3215 0.3061 . . . . 155 LYS N 51416 1 93 . 1 1 113 113 LEU N N 15 12.5871 0.29326 . . . . 156 LEU N 51416 1 94 . 1 1 114 114 PHE N N 15 13.4614 0.34392 . . . . 157 PHE N 51416 1 95 . 1 1 115 115 LEU N N 15 14.3226 0.47054 . . . . 158 LEU N 51416 1 96 . 1 1 116 116 GLN N N 15 13.4837 0.29047 . . . . 159 GLN N 51416 1 97 . 1 1 117 117 LYS N N 15 12.6915 0.32177 . . . . 160 LYS N 51416 1 98 . 1 1 118 118 ILE N N 15 14.6745 0.42067 . . . . 161 ILE N 51416 1 99 . 1 1 119 119 ASN N N 15 13.4759 0.28379 . . . . 162 ASN N 51416 1 100 . 1 1 120 120 GLU N N 15 10.8438 0.2991 . . . . 163 GLU N 51416 1 101 . 1 1 121 121 LEU N N 15 10.0712 0.18179 . . . . 164 LEU N 51416 1 102 . 1 1 123 123 THR N N 15 9.0359 0.18826 . . . . 166 THR N 51416 1 103 . 1 1 124 124 GLU N N 15 8.3764 0.19526 . . . . 167 GLU N 51416 1 104 . 1 1 125 125 GLU N N 15 5.8033 0.15388 . . . . 168 GLU N 51416 1 stop_ save_ save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 51416 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name 'BD1 15N-T2 800' _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 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 'T2/R2 relaxation' . . . 51416 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $software_3 . . 51416 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 1 1 ASN N N 15 2.3669 0.27817 . . . . 44 ASN N 51416 2 2 . 1 1 6 6 GLU N N 15 4.061 0.028514 . . . . 49 GLU N 51416 2 3 . 1 1 7 7 THR N N 15 17.401 0.95133 . . . . 50 THR N 51416 2 4 . 1 1 8 8 SER N N 15 14.3505 1.1229 . . . . 51 SER N 51416 2 5 . 1 1 11 11 ASN N N 15 8.6041 0.12734 . . . . 54 ASN N 51416 2 6 . 1 1 12 12 LYS N N 15 6.0132 0.086482 . . . . 55 LYS N 51416 2 7 . 1 1 14 14 LYS N N 15 8.1943 0.066805 . . . . 57 LYS N 51416 2 8 . 1 1 15 15 ARG N N 15 18.2025 0.35587 . . . . 58 ARG N 51416 2 9 . 1 1 17 17 THR N N 15 27.831 1.8635 . . . . 60 THR N 51416 2 10 . 1 1 18 18 ASN N N 15 15.5344 0.82317 . . . . 61 ASN N 51416 2 11 . 1 1 19 19 GLN N N 15 17.0047 0.46079 . . . . 62 GLN N 51416 2 12 . 1 1 21 21 GLN N N 15 15.7461 0.20309 . . . . 64 GLN N 51416 2 13 . 1 1 22 22 TYR N N 15 15.0827 0.17496 . . . . 65 TYR N 51416 2 14 . 1 1 23 23 LEU N N 15 15.7509 0.20246 . . . . 66 LEU N 51416 2 15 . 1 1 24 24 LEU N N 15 16.0571 0.17516 . . . . 67 LEU N 51416 2 16 . 1 1 25 25 ARG N N 15 15.0528 0.23086 . . . . 68 ARG N 51416 2 17 . 1 1 26 26 VAL N N 15 13.8769 0.13804 . . . . 69 VAL N 51416 2 18 . 1 1 27 27 VAL N N 15 15.8027 0.17224 . . . . 70 VAL N 51416 2 19 . 1 1 28 28 LEU N N 15 16.6822 0.16443 . . . . 71 LEU N 51416 2 20 . 1 1 29 29 LYS N N 15 15.1499 0.13435 . . . . 72 LYS N 51416 2 21 . 1 1 30 30 THR N N 15 12.9732 0.10734 . . . . 73 THR N 51416 2 22 . 1 1 31 31 LEU N N 15 16.3023 0.16569 . . . . 74 LEU N 51416 2 23 . 1 1 32 32 TRP N N 15 16.1946 0.16243 . . . . 75 TRP N 51416 2 24 . 1 1 33 33 LYS N N 15 15.514 0.1537 . . . . 76 LYS N 51416 2 25 . 1 1 34 34 HIS N N 15 14.7571 0.10895 . . . . 77 HIS N 51416 2 26 . 1 1 35 35 GLN N N 15 14.8224 0.22638 . . . . 78 GLN N 51416 2 27 . 1 1 36 36 PHE N N 15 14.0932 0.25887 . . . . 79 PHE N 51416 2 28 . 1 1 37 37 ALA N N 15 14.343 0.10023 . . . . 80 ALA N 51416 2 29 . 1 1 38 38 TRP N N 15 13.4576 0.10563 . . . . 81 TRP N 51416 2 30 . 1 1 40 40 PHE N N 15 13.1198 0.15687 . . . . 83 PHE N 51416 2 31 . 1 1 42 42 GLN N N 15 14.1476 0.095563 . . . . 85 GLN N 51416 2 32 . 1 1 44 44 VAL N N 15 15.9819 0.19622 . . . . 87 VAL N 51416 2 33 . 1 1 45 45 ASP N N 15 22.8476 0.74011 . . . . 88 ASP N 51416 2 34 . 1 1 46 46 ALA N N 15 15.3898 0.23239 . . . . 89 ALA N 51416 2 35 . 1 1 48 48 LYS N N 15 12.8506 0.12236 . . . . 91 LYS N 51416 2 36 . 1 1 49 49 LEU N N 15 16.4935 0.16151 . . . . 92 LEU N 51416 2 37 . 1 1 50 50 ASN N N 15 12.363 0.10087 . . . . 93 ASN N 51416 2 38 . 1 1 51 51 LEU N N 15 16.5016 0.19428 . . . . 94 LEU N 51416 2 39 . 1 1 53 53 ASP N N 15 21.166 1.3073 . . . . 96 ASP N 51416 2 40 . 1 1 54 54 TYR N N 15 19.7824 0.34974 . . . . 97 TYR N 51416 2 41 . 1 1 55 55 TYR N N 15 16.2911 0.35461 . . . . 98 TYR N 51416 2 42 . 1 1 56 56 LYS N N 15 14.5993 0.12083 . . . . 99 LYS N 51416 2 43 . 1 1 57 57 ILE N N 15 12.7789 0.13664 . . . . 100 ILE N 51416 2 44 . 1 1 58 58 ILE N N 15 16.0202 0.18717 . . . . 101 ILE N 51416 2 45 . 1 1 59 59 LYS N N 15 14.4042 0.17288 . . . . 102 LYS N 51416 2 46 . 1 1 60 60 THR N N 15 12.758 0.13125 . . . . 103 THR N 51416 2 47 . 1 1 62 62 MET N N 15 16.9678 0.51627 . . . . 105 MET N 51416 2 48 . 1 1 63 63 ASP N N 15 15.0597 0.13882 . . . . 106 ASP N 51416 2 49 . 1 1 64 64 MET N N 15 16.9838 0.25892 . . . . 107 MET N 51416 2 50 . 1 1 65 65 GLY N N 15 15.6138 0.24688 . . . . 108 GLY N 51416 2 51 . 1 1 67 67 ILE N N 15 16.1774 0.17165 . . . . 110 ILE N 51416 2 52 . 1 1 68 68 LYS N N 15 16.4521 0.17753 . . . . 111 LYS N 51416 2 53 . 1 1 69 69 LYS N N 15 16.2085 0.20674 . . . . 112 LYS N 51416 2 54 . 1 1 70 70 ARG N N 15 16.775 0.31124 . . . . 113 ARG N 51416 2 55 . 1 1 71 71 LEU N N 15 16.4756 0.21237 . . . . 114 LEU N 51416 2 56 . 1 1 72 72 GLU N N 15 16.8328 0.2706 . . . . 115 GLU N 51416 2 57 . 1 1 73 73 ASN N N 15 13.4308 0.2359 . . . . 116 ASN N 51416 2 58 . 1 1 74 74 ASN N N 15 17.5871 0.2754 . . . . 117 ASN N 51416 2 59 . 1 1 75 75 TYR N N 15 17.3561 0.27517 . . . . 118 TYR N 51416 2 60 . 1 1 76 76 TYR N N 15 13.4209 0.14791 . . . . 119 TYR N 51416 2 61 . 1 1 77 77 TRP N N 15 13.976 0.2354 . . . . 120 TRP N 51416 2 62 . 1 1 79 79 ALA N N 15 17.0909 0.73255 . . . . 122 ALA N 51416 2 63 . 1 1 80 80 GLN N N 15 15.7167 0.18703 . . . . 123 GLN N 51416 2 64 . 1 1 81 81 GLU N N 15 15.9414 0.15103 . . . . 124 GLU N 51416 2 65 . 1 1 82 82 CYS N N 15 15.5128 0.13652 . . . . 125 CYS N 51416 2 66 . 1 1 83 83 ILE N N 15 17.4412 0.23283 . . . . 126 ILE N 51416 2 67 . 1 1 84 84 GLN N N 15 15.9291 0.11644 . . . . 127 GLN N 51416 2 68 . 1 1 85 85 ASP N N 15 15.3452 0.14198 . . . . 128 ASP N 51416 2 69 . 1 1 86 86 PHE N N 15 16.746 0.19029 . . . . 129 PHE N 51416 2 70 . 1 1 87 87 ASN N N 15 15.6508 0.13774 . . . . 130 ASN N 51416 2 71 . 1 1 88 88 THR N N 15 16.248 0.13962 . . . . 131 THR N 51416 2 72 . 1 1 89 89 MET N N 15 16.0797 0.18084 . . . . 132 MET N 51416 2 73 . 1 1 90 90 PHE N N 15 17.154 0.23641 . . . . 133 PHE N 51416 2 74 . 1 1 91 91 THR N N 15 16.1447 0.19043 . . . . 134 THR N 51416 2 75 . 1 1 92 92 ASN N N 15 15.9155 0.13663 . . . . 135 ASN N 51416 2 76 . 1 1 93 93 CYS N N 15 16.1693 0.13562 . . . . 136 CYS N 51416 2 77 . 1 1 94 94 TYR N N 15 16.333 0.15055 . . . . 137 TYR N 51416 2 78 . 1 1 95 95 ILE N N 15 14.673 0.14801 . . . . 138 ILE N 51416 2 79 . 1 1 97 97 ASN N N 15 15.8696 0.15693 . . . . 140 ASN N 51416 2 80 . 1 1 98 98 LYS N N 15 11.3675 0.084767 . . . . 141 LYS N 51416 2 81 . 1 1 100 100 GLY N N 15 15.8553 0.15405 . . . . 143 GLY N 51416 2 82 . 1 1 101 101 ASP N N 15 13.4249 0.074585 . . . . 144 ASP N 51416 2 83 . 1 1 102 102 ASP N N 15 13.7135 0.099512 . . . . 145 ASP N 51416 2 84 . 1 1 103 103 ILE N N 15 14.6322 0.10616 . . . . 146 ILE N 51416 2 85 . 1 1 104 104 VAL N N 15 16.2347 0.16519 . . . . 147 VAL N 51416 2 86 . 1 1 105 105 LEU N N 15 15.2461 0.14317 . . . . 148 LEU N 51416 2 87 . 1 1 106 106 MET N N 15 15.0641 0.14318 . . . . 149 MET N 51416 2 88 . 1 1 107 107 ALA N N 15 15.6076 0.14019 . . . . 150 ALA N 51416 2 89 . 1 1 108 108 GLU N N 15 15.5254 0.13719 . . . . 151 GLU N 51416 2 90 . 1 1 109 109 ALA N N 15 15.1527 0.10599 . . . . 152 ALA N 51416 2 91 . 1 1 110 110 LEU N N 15 15.262 0.12927 . . . . 153 LEU N 51416 2 92 . 1 1 111 111 GLU N N 15 16.5268 0.14698 . . . . 154 GLU N 51416 2 93 . 1 1 112 112 LYS N N 15 15.934 0.12867 . . . . 155 LYS N 51416 2 94 . 1 1 113 113 LEU N N 15 15.3511 0.10399 . . . . 156 LEU N 51416 2 95 . 1 1 114 114 PHE N N 15 16.1106 0.15145 . . . . 157 PHE N 51416 2 96 . 1 1 115 115 LEU N N 15 17.1234 0.19986 . . . . 158 LEU N 51416 2 97 . 1 1 116 116 GLN N N 15 15.4411 0.11943 . . . . 159 GLN N 51416 2 98 . 1 1 117 117 LYS N N 15 14.5011 0.12657 . . . . 160 LYS N 51416 2 99 . 1 1 118 118 ILE N N 15 17.2545 0.17896 . . . . 161 ILE N 51416 2 100 . 1 1 119 119 ASN N N 15 15.9171 0.11781 . . . . 162 ASN N 51416 2 101 . 1 1 120 120 GLU N N 15 12.4802 0.096385 . . . . 163 GLU N 51416 2 102 . 1 1 121 121 LEU N N 15 12.1102 0.066168 . . . . 164 LEU N 51416 2 103 . 1 1 123 123 THR N N 15 10.8082 0.079402 . . . . 166 THR N 51416 2 104 . 1 1 124 124 GLU N N 15 9.8518 0.077036 . . . . 167 GLU N 51416 2 105 . 1 1 125 125 GLU N N 15 6.8212 0.043765 . . . . 168 GLU N 51416 2 stop_ save_ #################################################### # Dipole-CSA cross correlation relaxation values # #################################################### save_dipole_CSA_cross_correlations_1 _Cross_correlation_D_CSA_list.Sf_category dipole_CSA_cross_correlations _Cross_correlation_D_CSA_list.Sf_framecode dipole_CSA_cross_correlations_1 _Cross_correlation_D_CSA_list.Entry_ID 51416 _Cross_correlation_D_CSA_list.ID 1 _Cross_correlation_D_CSA_list.Name 'BD1 15N-DCSA 800' _Cross_correlation_D_CSA_list.Sample_condition_list_ID 1 _Cross_correlation_D_CSA_list.Sample_condition_list_label $sample_conditions_1 _Cross_correlation_D_CSA_list.Spectrometer_frequency_1H 800 _Cross_correlation_D_CSA_list.Val_units s-1 _Cross_correlation_D_CSA_list.Details . _Cross_correlation_D_CSA_list.Text_data_format . _Cross_correlation_D_CSA_list.Text_data . loop_ _Cross_correlation_D_CSA_experiment.Experiment_ID _Cross_correlation_D_CSA_experiment.Experiment_name _Cross_correlation_D_CSA_experiment.Sample_ID _Cross_correlation_D_CSA_experiment.Sample_label _Cross_correlation_D_CSA_experiment.Sample_state _Cross_correlation_D_CSA_experiment.Entry_ID _Cross_correlation_D_CSA_experiment.Cross_correlation_D_CSA_list_ID 12 'transverse cross-correlated dipole/CSA relaxation' . . . 51416 1 stop_ loop_ _Cross_correlation_D_CSA_software.Software_ID _Cross_correlation_D_CSA_software.Software_label _Cross_correlation_D_CSA_software.Method_ID _Cross_correlation_D_CSA_software.Method_label _Cross_correlation_D_CSA_software.Entry_ID _Cross_correlation_D_CSA_software.Cross_correlation_D_CSA_list_ID 3 $software_3 . . 51416 1 stop_ loop_ _Cross_correlation_D_CSA.ID _Cross_correlation_D_CSA.Dipole_assembly_atom_ID_1 _Cross_correlation_D_CSA.Dipole_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_entity_ID_1 _Cross_correlation_D_CSA.Dipole_comp_index_ID_1 _Cross_correlation_D_CSA.Dipole_seq_ID_1 _Cross_correlation_D_CSA.Dipole_comp_ID_1 _Cross_correlation_D_CSA.Dipole_atom_ID_1 _Cross_correlation_D_CSA.Dipole_atom_type_1 _Cross_correlation_D_CSA.Dipole_atom_isotope_number_1 _Cross_correlation_D_CSA.CSA_assembly_atom_ID_1 _Cross_correlation_D_CSA.CSA_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_entity_ID_1 _Cross_correlation_D_CSA.CSA_comp_index_ID_1 _Cross_correlation_D_CSA.CSA_seq_ID_1 _Cross_correlation_D_CSA.CSA_comp_ID_1 _Cross_correlation_D_CSA.CSA_atom_ID_1 _Cross_correlation_D_CSA.CSA_atom_type_1 _Cross_correlation_D_CSA.CSA_atom_isotope_number_1 _Cross_correlation_D_CSA.Val _Cross_correlation_D_CSA.Val_err _Cross_correlation_D_CSA.Dipole_resonance_ID_1 _Cross_correlation_D_CSA.CSA_resonance_ID_1 _Cross_correlation_D_CSA.Dipole_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.Dipole_auth_seq_ID_1 _Cross_correlation_D_CSA.Dipole_auth_comp_ID_1 _Cross_correlation_D_CSA.Dipole_auth_atom_ID_1 _Cross_correlation_D_CSA.CSA_auth_entity_assembly_ID_1 _Cross_correlation_D_CSA.CSA_auth_seq_ID_1 _Cross_correlation_D_CSA.CSA_auth_comp_ID_1 _Cross_correlation_D_CSA.CSA_auth_atom_ID_1 _Cross_correlation_D_CSA.Entry_ID _Cross_correlation_D_CSA.Cross_correlation_D_CSA_list_ID 1 . 1 1 12 12 LYS N N 15 1 . 1 12 12 LYS N N 15 3.581 0.298 . . . . . . . 55 LYS N 51416 1 2 . 1 1 14 14 LYS N N 15 1 . 1 14 14 LYS N N 15 5.601 0.153 . . . . . . . 57 LYS N 51416 1 3 . 1 1 15 15 ARG N N 15 1 . 1 15 15 ARG N N 15 8.312 0.473 . . . . . . . 58 ARG N 51416 1 4 . 1 1 17 17 THR N N 15 1 . 1 17 17 THR N N 15 6.445 2.158 . . . . . . . 60 THR N 51416 1 5 . 1 1 18 18 ASN N N 15 1 . 1 18 18 ASN N N 15 8.306 1.724 . . . . . . . 61 ASN N 51416 1 6 . 1 1 19 19 GLN N N 15 1 . 1 19 19 GLN N N 15 11.326 0.69 . . . . . . . 62 GLN N 51416 1 7 . 1 1 21 21 GLN N N 15 1 . 1 21 21 GLN N N 15 11.73 0.349 . . . . . . . 64 GLN N 51416 1 8 . 1 1 22 22 TYR N N 15 1 . 1 22 22 TYR N N 15 12.832 0.344 . . . . . . . 65 TYR N 51416 1 9 . 1 1 23 23 LEU N N 15 1 . 1 23 23 LEU N N 15 11.525 0.336 . . . . . . . 66 LEU N 51416 1 10 . 1 1 24 24 LEU N N 15 1 . 1 24 24 LEU N N 15 12.464 0.36 . . . . . . . 67 LEU N 51416 1 11 . 1 1 25 25 ARG N N 15 1 . 1 25 25 ARG N N 15 10.467 0.41 . . . . . . . 68 ARG N 51416 1 12 . 1 1 26 26 VAL N N 15 1 . 1 26 26 VAL N N 15 10.815 0.265 . . . . . . . 69 VAL N 51416 1 13 . 1 1 27 27 VAL N N 15 1 . 1 27 27 VAL N N 15 12.831 0.314 . . . . . . . 70 VAL N 51416 1 14 . 1 1 28 28 LEU N N 15 1 . 1 28 28 LEU N N 15 12.57 0.28 . . . . . . . 71 LEU N 51416 1 15 . 1 1 29 29 LYS N N 15 1 . 1 29 29 LYS N N 15 11.729 0.253 . . . . . . . 72 LYS N 51416 1 16 . 1 1 30 30 THR N N 15 1 . 1 30 30 THR N N 15 10.548 0.204 . . . . . . . 73 THR N 51416 1 17 . 1 1 31 31 LEU N N 15 1 . 1 31 31 LEU N N 15 13.175 0.271 . . . . . . . 74 LEU N 51416 1 18 . 1 1 32 32 TRP N N 15 1 . 1 32 32 TRP N N 15 11.871 0.246 . . . . . . . 75 TRP N 51416 1 19 . 1 1 33 33 LYS N N 15 1 . 1 33 33 LYS N N 15 10.577 0.326 . . . . . . . 76 LYS N 51416 1 20 . 1 1 34 34 HIS N N 15 1 . 1 34 34 HIS N N 15 11.93 0.214 . . . . . . . 77 HIS N 51416 1 21 . 1 1 35 35 GLN N N 15 1 . 1 35 35 GLN N N 15 9.513 0.379 . . . . . . . 78 GLN N 51416 1 22 . 1 1 36 36 PHE N N 15 1 . 1 36 36 PHE N N 15 9.466 0.401 . . . . . . . 79 PHE N 51416 1 23 . 1 1 37 37 ALA N N 15 1 . 1 37 37 ALA N N 15 11.031 0.179 . . . . . . . 80 ALA N 51416 1 24 . 1 1 38 38 TRP N N 15 1 . 1 38 38 TRP N N 15 9.359 0.2 . . . . . . . 81 TRP N 51416 1 25 . 1 1 40 40 PHE N N 15 1 . 1 40 40 PHE N N 15 8.77 0.29 . . . . . . . 83 PHE N 51416 1 26 . 1 1 42 42 GLN N N 15 1 . 1 42 42 GLN N N 15 10.819 0.177 . . . . . . . 85 GLN N 51416 1 27 . 1 1 44 44 VAL N N 15 1 . 1 44 44 VAL N N 15 9.939 0.327 . . . . . . . 87 VAL N 51416 1 28 . 1 1 45 45 ASP N N 15 1 . 1 45 45 ASP N N 15 11.763 0.911 . . . . . . . 88 ASP N 51416 1 29 . 1 1 46 46 ALA N N 15 1 . 1 46 46 ALA N N 15 10.071 0.391 . . . . . . . 89 ALA N 51416 1 30 . 1 1 48 48 LYS N N 15 1 . 1 48 48 LYS N N 15 10.238 0.253 . . . . . . . 91 LYS N 51416 1 31 . 1 1 49 49 LEU N N 15 1 . 1 49 49 LEU N N 15 10.14 0.268 . . . . . . . 92 LEU N 51416 1 32 . 1 1 50 50 ASN N N 15 1 . 1 50 50 ASN N N 15 9.959 0.2 . . . . . . . 93 ASN N 51416 1 33 . 1 1 51 51 LEU N N 15 1 . 1 51 51 LEU N N 15 8.534 0.322 . . . . . . . 94 LEU N 51416 1 34 . 1 1 54 54 TYR N N 15 1 . 1 54 54 TYR N N 15 11.05 0.424 . . . . . . . 97 TYR N 51416 1 35 . 1 1 55 55 TYR N N 15 1 . 1 55 55 TYR N N 15 9.73 0.57 . . . . . . . 98 TYR N 51416 1 36 . 1 1 56 56 LYS N N 15 1 . 1 56 56 LYS N N 15 10.449 0.231 . . . . . . . 99 LYS N 51416 1 37 . 1 1 57 57 ILE N N 15 1 . 1 57 57 ILE N N 15 9.519 0.273 . . . . . . . 100 ILE N 51416 1 38 . 1 1 58 58 ILE N N 15 1 . 1 58 58 ILE N N 15 10.056 0.327 . . . . . . . 101 ILE N 51416 1 39 . 1 1 59 59 LYS N N 15 1 . 1 59 59 LYS N N 15 9.168 0.309 . . . . . . . 102 LYS N 51416 1 40 . 1 1 60 60 THR N N 15 1 . 1 60 60 THR N N 15 9.202 0.238 . . . . . . . 103 THR N 51416 1 41 . 1 1 62 62 MET N N 15 1 . 1 62 62 MET N N 15 15.648 1.209 . . . . . . . 105 MET N 51416 1 42 . 1 1 63 63 ASP N N 15 1 . 1 63 63 ASP N N 15 11.734 0.247 . . . . . . . 106 ASP N 51416 1 43 . 1 1 64 64 MET N N 15 1 . 1 64 64 MET N N 15 11.508 0.397 . . . . . . . 107 MET N 51416 1 44 . 1 1 65 65 GLY N N 15 1 . 1 65 65 GLY N N 15 11.125 0.458 . . . . . . . 108 GLY N 51416 1 45 . 1 1 67 67 ILE N N 15 1 . 1 67 67 ILE N N 15 12.868 0.339 . . . . . . . 110 ILE N 51416 1 46 . 1 1 68 68 LYS N N 15 1 . 1 68 68 LYS N N 15 12.934 0.281 . . . . . . . 111 LYS N 51416 1 47 . 1 1 69 69 LYS N N 15 1 . 1 69 69 LYS N N 15 12.255 0.312 . . . . . . . 112 LYS N 51416 1 48 . 1 1 70 70 ARG N N 15 1 . 1 70 70 ARG N N 15 11.797 0.497 . . . . . . . 113 ARG N 51416 1 49 . 1 1 71 71 LEU N N 15 1 . 1 71 71 LEU N N 15 12.124 0.347 . . . . . . . 114 LEU N 51416 1 50 . 1 1 72 72 GLU N N 15 1 . 1 72 72 GLU N N 15 10.31 0.392 . . . . . . . 115 GLU N 51416 1 51 . 1 1 73 73 ASN N N 15 1 . 1 73 73 ASN N N 15 9.02 0.433 . . . . . . . 116 ASN N 51416 1 52 . 1 1 74 74 ASN N N 15 1 . 1 74 74 ASN N N 15 10.645 0.456 . . . . . . . 117 ASN N 51416 1 53 . 1 1 75 75 TYR N N 15 1 . 1 75 75 TYR N N 15 10.965 0.41 . . . . . . . 118 TYR N 51416 1 54 . 1 1 76 76 TYR N N 15 1 . 1 76 76 TYR N N 15 9.424 0.278 . . . . . . . 119 TYR N 51416 1 55 . 1 1 77 77 TRP N N 15 1 . 1 77 77 TRP N N 15 10.361 0.466 . . . . . . . 120 TRP N 51416 1 56 . 1 1 79 79 ALA N N 15 1 . 1 79 79 ALA N N 15 15.08 1.584 . . . . . . . 122 ALA N 51416 1 57 . 1 1 80 80 GLN N N 15 1 . 1 80 80 GLN N N 15 11.881 0.337 . . . . . . . 123 GLN N 51416 1 58 . 1 1 81 81 GLU N N 15 1 . 1 81 81 GLU N N 15 11.701 0.239 . . . . . . . 124 GLU N 51416 1 59 . 1 1 82 82 CYS N N 15 1 . 1 82 82 CYS N N 15 12.423 0.273 . . . . . . . 125 CYS N 51416 1 60 . 1 1 83 83 ILE N N 15 1 . 1 83 83 ILE N N 15 13.582 0.42 . . . . . . . 126 ILE N 51416 1 61 . 1 1 84 84 GLN N N 15 1 . 1 84 84 GLN N N 15 11.985 0.205 . . . . . . . 127 GLN N 51416 1 62 . 1 1 85 85 ASP N N 15 1 . 1 85 85 ASP N N 15 12.176 0.234 . . . . . . . 128 ASP N 51416 1 63 . 1 1 86 86 PHE N N 15 1 . 1 86 86 PHE N N 15 12.815 0.312 . . . . . . . 129 PHE N 51416 1 64 . 1 1 87 87 ASN N N 15 1 . 1 87 87 ASN N N 15 11.945 0.238 . . . . . . . 130 ASN N 51416 1 65 . 1 1 88 88 THR N N 15 1 . 1 88 88 THR N N 15 13.029 0.24 . . . . . . . 131 THR N 51416 1 66 . 1 1 89 89 MET N N 15 1 . 1 89 89 MET N N 15 13.287 0.341 . . . . . . . 132 MET N 51416 1 67 . 1 1 90 90 PHE N N 15 1 . 1 90 90 PHE N N 15 12.62 0.35 . . . . . . . 133 PHE N 51416 1 68 . 1 1 91 91 THR N N 15 1 . 1 91 91 THR N N 15 12.376 0.31 . . . . . . . 134 THR N 51416 1 69 . 1 1 92 92 ASN N N 15 1 . 1 92 92 ASN N N 15 12.314 0.219 . . . . . . . 135 ASN N 51416 1 70 . 1 1 93 93 CYS N N 15 1 . 1 93 93 CYS N N 15 12.827 0.244 . . . . . . . 136 CYS N 51416 1 71 . 1 1 94 94 TYR N N 15 1 . 1 94 94 TYR N N 15 11.289 0.228 . . . . . . . 137 TYR N 51416 1 72 . 1 1 95 95 ILE N N 15 1 . 1 95 95 ILE N N 15 10.529 0.282 . . . . . . . 138 ILE N 51416 1 73 . 1 1 97 97 ASN N N 15 1 . 1 97 97 ASN N N 15 11.484 0.259 . . . . . . . 140 ASN N 51416 1 74 . 1 1 98 98 LYS N N 15 1 . 1 98 98 LYS N N 15 8.349 0.174 . . . . . . . 141 LYS N 51416 1 75 . 1 1 100 100 GLY N N 15 1 . 1 100 100 GLY N N 15 10.135 0.286 . . . . . . . 143 GLY N 51416 1 76 . 1 1 101 101 ASP N N 15 1 . 1 101 101 ASP N N 15 10.737 0.152 . . . . . . . 144 ASP N 51416 1 77 . 1 1 102 102 ASP N N 15 1 . 1 102 102 ASP N N 15 10.857 0.172 . . . . . . . 145 ASP N 51416 1 78 . 1 1 103 103 ILE N N 15 1 . 1 103 103 ILE N N 15 10.977 0.192 . . . . . . . 146 ILE N 51416 1 79 . 1 1 104 104 VAL N N 15 1 . 1 104 104 VAL N N 15 13.008 0.315 . . . . . . . 147 VAL N 51416 1 80 . 1 1 105 105 LEU N N 15 1 . 1 105 105 LEU N N 15 11.731 0.251 . . . . . . . 148 LEU N 51416 1 81 . 1 1 106 106 MET N N 15 1 . 1 106 106 MET N N 15 11.049 0.272 . . . . . . . 149 MET N 51416 1 82 . 1 1 107 107 ALA N N 15 1 . 1 107 107 ALA N N 15 12.214 0.223 . . . . . . . 150 ALA N 51416 1 83 . 1 1 108 108 GLU N N 15 1 . 1 108 108 GLU N N 15 11.969 0.232 . . . . . . . 151 GLU N 51416 1 84 . 1 1 109 109 ALA N N 15 1 . 1 109 109 ALA N N 15 11.995 0.183 . . . . . . . 152 ALA N 51416 1 85 . 1 1 110 110 LEU N N 15 1 . 1 110 110 LEU N N 15 12.036 0.232 . . . . . . . 153 LEU N 51416 1 86 . 1 1 111 111 GLU N N 15 1 . 1 111 111 GLU N N 15 12.85 0.225 . . . . . . . 154 GLU N 51416 1 87 . 1 1 112 112 LYS N N 15 1 . 1 112 112 LYS N N 15 11.823 0.229 . . . . . . . 155 LYS N 51416 1 88 . 1 1 113 113 LEU N N 15 1 . 1 113 113 LEU N N 15 12.817 0.187 . . . . . . . 156 LEU N 51416 1 89 . 1 1 114 114 PHE N N 15 1 . 1 114 114 PHE N N 15 12.912 0.232 . . . . . . . 157 PHE N 51416 1 90 . 1 1 115 115 LEU N N 15 1 . 1 115 115 LEU N N 15 12.591 0.315 . . . . . . . 158 LEU N 51416 1 91 . 1 1 116 116 GLN N N 15 1 . 1 116 116 GLN N N 15 11.606 0.178 . . . . . . . 159 GLN N 51416 1 92 . 1 1 117 117 LYS N N 15 1 . 1 117 117 LYS N N 15 10.816 0.204 . . . . . . . 160 LYS N 51416 1 93 . 1 1 118 118 ILE N N 15 1 . 1 118 118 ILE N N 15 12.195 0.305 . . . . . . . 161 ILE N 51416 1 94 . 1 1 119 119 ASN N N 15 1 . 1 119 119 ASN N N 15 12.295 0.203 . . . . . . . 162 ASN N 51416 1 95 . 1 1 120 120 GLU N N 15 1 . 1 120 120 GLU N N 15 9.9 0.2 . . . . . . . 163 GLU N 51416 1 96 . 1 1 121 121 LEU N N 15 1 . 1 121 121 LEU N N 15 9.28 0.145 . . . . . . . 164 LEU N 51416 1 97 . 1 1 123 123 THR N N 15 1 . 1 123 123 THR N N 15 7.706 0.174 . . . . . . . 166 THR N 51416 1 98 . 1 1 124 124 GLU N N 15 1 . 1 124 124 GLU N N 15 6.415 0.16 . . . . . . . 167 GLU N 51416 1 stop_ save_ ###################### # Order parameters # ###################### save_order_parameters_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameters_1 _Order_parameter_list.Entry_ID 51416 _Order_parameter_list.ID 1 _Order_parameter_list.Name 'BD1 15N-S2' _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units ns _Order_parameter_list.Tau_f_val_units ns _Order_parameter_list.Tau_s_val_units ns _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details 'Standard relax MF suite' _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 3 $software_3 . . 51416 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 1 1 ASN N N 15 2.09e-15 0.037188 . . . . . . . . 0.6336 0.083756 -4.1342e-16 0.057561 . . . . . . . . 44 ASN N 51416 1 2 . 1 1 6 6 GLU N N 15 0.15371 0.017176 . . . . . . . . 0.77303 0.012683 0.19884 0.019985 . . . . . . . . 49 GLU N 51416 1 3 . 1 1 7 7 THR N N 15 0.46852 0.086512 6.6574e-10 1.0388e-10 . . . . . . . . . . . . . . . . . . 50 THR N 51416 1 4 . 1 1 8 8 SER N N 15 0.7843 0.03263 2.4936e-10 1.2912e-10 . . . . . . . . . . . . . . . . . . 51 SER N 51416 1 5 . 1 1 11 11 ASN N N 15 0.42752 0.0091312 . . 5.2729e-11 2.0055e-11 5.2729e-11 2.0055e-11 . . 0.79733 0.037861 0.53619 0.026021 . . . . . . . . 54 ASN N 51416 1 6 . 1 1 12 12 LYS N N 15 0.31654 0.0069619 . . . . . . . . 0.67951 0.014757 0.46584 0.015935 . . . . . . . . 55 LYS N 51416 1 7 . 1 1 14 14 LYS N N 15 0.39598 0.0082732 . . 5.21e-11 4.266e-12 5.21e-11 4.266e-12 . . 0.6637 0.011498 0.59663 0.0114 . . . . . . . . 57 LYS N 51416 1 8 . 1 1 15 15 ARG N N 15 0.7475 0.121 . . . . . . . . 0.88969 0.07856 0.84017 0.073065 . . . . . . . . 58 ARG N 51416 1 9 . 1 1 17 17 THR N N 15 0.95851 0.062749 1.2096e-10 9.4687e-10 . . . . . . . . . . . . . . . . . . 60 THR N 51416 1 10 . 1 1 18 18 ASN N N 15 0.94466 0.027581 1.917e-10 2.7338e-10 . . . . . . . . . . . . . . . . . . 61 ASN N 51416 1 11 . 1 1 19 19 GLN N N 15 0.95562 0.027294 4.6113e-10 4.085e-10 . . . . . . . . . . . . . . . . . . 62 GLN N 51416 1 12 . 1 1 21 21 GLN N N 15 0.92073 0.010339 . . . . . . . . . . . . . . . . . . . . 64 GLN N 51416 1 13 . 1 1 22 22 TYR N N 15 0.94667 0.0093144 . . . . . . . . . . . . . . . . . . . . 65 TYR N 51416 1 14 . 1 1 23 23 LEU N N 15 0.92958 0.010141 . . . . . . . . . . . . . . . . . . . . 66 LEU N 51416 1 15 . 1 1 24 24 LEU N N 15 0.91767 0.0086353 . . . . . . . . . . . . . . . . . . . . 67 LEU N 51416 1 16 . 1 1 25 25 ARG N N 15 0.91871 0.011787 . . . . . . . . . . . . . . . . . . . . 68 ARG N 51416 1 17 . 1 1 26 26 VAL N N 15 0.88679 0.0093523 . . . . . . . . 0.92159 0.018482 0.96225 0.016045 . . . . . . . . 69 VAL N 51416 1 18 . 1 1 27 27 VAL N N 15 0.90566 0.0089015 2.0038e-11 7.7539e-12 . . . . . . . . . . . . . . . . . . 70 VAL N 51416 1 19 . 1 1 28 28 LEU N N 15 0.93308 0.0078427 2.6848e-11 1.1392e-11 . . . . . . . . . . . . . . . . . . 71 LEU N 51416 1 20 . 1 1 29 29 LYS N N 15 0.86606 0.0079889 . . . . . . . . 0.89474 0.02641 0.96795 0.023661 . . . . . . . . 72 LYS N 51416 1 21 . 1 1 30 30 THR N N 15 0.82443 0.0061035 1.5206e-11 3.2515e-12 . . . . . . . . . . . . . . . . . . 73 THR N 51416 1 22 . 1 1 31 31 LEU N N 15 0.92968 0.017437 . . . . . . . . . . . . . . . . . . . . 74 LEU N 51416 1 23 . 1 1 32 32 TRP N N 15 0.91515 0.0081245 . . . . . . . . . . . . . . . . . . . . 75 TRP N 51416 1 24 . 1 1 33 33 LYS N N 15 0.87438 0.016626 1.4644e-11 5.7718e-12 . . . . . . . . . . . . . . . . . . 76 LYS N 51416 1 25 . 1 1 34 34 HIS N N 15 0.90939 0.0079357 . . . . . . . . 0.94793 0.0083542 0.95935 0.0092947 . . . . . . . . 77 HIS N 51416 1 26 . 1 1 35 35 GLN N N 15 0.9155 0.012353 2.6459e-11 1.1884e-11 . . . . . . . . . . . . . . . . . . 78 GLN N 51416 1 27 . 1 1 36 36 PHE N N 15 0.8706 0.012365 1.1983e-11 7.812e-12 . . . . . . . . . . . . . . . . . . 79 PHE N 51416 1 28 . 1 1 37 37 ALA N N 15 0.95945 0.0058906 . . . . . . . . . . . . . . . . . . . . 80 ALA N 51416 1 29 . 1 1 38 38 TRP N N 15 0.77159 0.011427 . . . . . . . . 0.86329 0.0072255 0.89378 0.013924 . . . . . . . . 81 TRP N 51416 1 30 . 1 1 40 40 PHE N N 15 0.81915 0.01976 . . . . . . . . 0.88023 0.012205 0.93061 0.023938 . . . . . . . . 83 PHE N 51416 1 31 . 1 1 42 42 GLN N N 15 0.85506 0.0063307 . . . . . . . . 0.91435 0.006507 0.93516 0.0072068 . . . . . . . . 85 GLN N 51416 1 32 . 1 1 44 44 VAL N N 15 0.81165 0.018739 1.3078e-11 4.616e-12 . . . . . . . . . . . . . . . . . . 87 VAL N 51416 1 33 . 1 1 45 45 ASP N N 15 0.99419 0.032375 . . . . . . . . . . . . . . . . . . . . 88 ASP N 51416 1 34 . 1 1 46 46 ALA N N 15 0.88939 0.011846 7.019e-11 2.3222e-11 . . . . . . . . . . . . . . . . . . 89 ALA N 51416 1 35 . 1 1 48 48 LYS N N 15 0.50565 0.049857 . . . . . . . . 0.72273 0.03275 0.69964 0.039417 . . . . . . . . 91 LYS N 51416 1 36 . 1 1 49 49 LEU N N 15 0.9153 0.01535 9.1389e-11 3.2929e-11 . . . . . . . . . . . . . . . . . . 92 LEU N 51416 1 37 . 1 1 50 50 ASN N N 15 0.73247 0.0069496 . . . . . . . . 0.86271 0.0081289 0.84903 0.0091706 . . . . . . . . 93 ASN N 51416 1 38 . 1 1 51 51 LEU N N 15 0.91154 0.020395 6.1972e-11 3.8429e-11 . . . . . . . . . . . . . . . . . . 94 LEU N 51416 1 39 . 1 1 53 53 ASP N N 15 0.93092 0.089898 1.7467e-10 4.8773e-10 . . . . . . . . . . . . . . . . . . 96 ASP N 51416 1 40 . 1 1 54 54 TYR N N 15 0.86977 0.02405 1.6813e-11 9.0913e-12 . . . . . . . . . . . . . . . . . . 97 TYR N 51416 1 41 . 1 1 55 55 TYR N N 15 0.88827 0.035363 . . . . . . . . . . . . . . . . . . . . 98 TYR N 51416 1 42 . 1 1 56 56 LYS N N 15 0.75473 0.058602 . . . . . . . . 0.85927 0.037704 0.87834 0.032031 . . . . . . . . 99 LYS N 51416 1 43 . 1 1 57 57 ILE N N 15 0.81698 0.017706 2.2978e-11 4.6129e-12 . . . . . . . . . . . . . . . . . . 100 ILE N 51416 1 44 . 1 1 58 58 ILE N N 15 0.85762 0.018843 1.615e-11 5.9536e-12 . . . . . . . . . . . . . . . . . . 101 ILE N 51416 1 45 . 1 1 59 59 LYS N N 15 0.83284 0.017869 2.1198e-11 5.8508e-12 . . . . . . . . . . . . . . . . . . 102 LYS N 51416 1 46 . 1 1 60 60 THR N N 15 0.72787 0.0091185 . . . . . . . . 0.84626 0.009147 0.86011 0.010672 . . . . . . . . 103 THR N 51416 1 47 . 1 1 62 62 MET N N 15 0.94291 0.023559 . . . . . . . . . . . . . . . . . . . . 105 MET N 51416 1 48 . 1 1 63 63 ASP N N 15 0.83128 0.014411 . . . . . . . . 0.8863 0.0086458 0.93793 0.018435 . . . . . . . . 106 ASP N 51416 1 49 . 1 1 64 64 MET N N 15 0.95296 0.011906 . . . . . . . . . . . . . . . . . . . . 107 MET N 51416 1 50 . 1 1 65 65 GLY N N 15 0.91159 0.011976 . . . . . . . . . . . . . . . . . . . . 108 GLY N 51416 1 51 . 1 1 67 67 ILE N N 15 0.91697 0.0084458 . . . . . . . . . . . . . . . . . . . . 110 ILE N 51416 1 52 . 1 1 68 68 LYS N N 15 0.94029 0.0088538 . . . . . . . . . . . . . . . . . . . . 111 LYS N 51416 1 53 . 1 1 69 69 LYS N N 15 0.93735 0.010468 . . . . . . . . . . . . . . . . . . . . 112 LYS N 51416 1 54 . 1 1 70 70 ARG N N 15 0.8995 0.034741 . . . . . . . . . . . . . . . . . . . . 113 ARG N 51416 1 55 . 1 1 71 71 LEU N N 15 0.92502 0.010046 . . . . . . . . . . . . . . . . . . . . 114 LEU N 51416 1 56 . 1 1 72 72 GLU N N 15 0.91289 0.026064 . . . . . . . . . . . . . . . . . . . . 115 GLU N 51416 1 57 . 1 1 73 73 ASN N N 15 0.83264 0.01382 . . . . . . . . . . . . . . . . . . . . 116 ASN N 51416 1 58 . 1 1 74 74 ASN N N 15 0.92787 0.022403 5.6298e-10 2.5334e-10 . . . . . . . . . . . . . . . . . . 117 ASN N 51416 1 59 . 1 1 75 75 TYR N N 15 0.97706 0.025599 . . . . . . . . . . . . . . . . . . . . 118 TYR N 51416 1 60 . 1 1 76 76 TYR N N 15 0.90845 0.0086725 . . . . . . . . . . . . . . . . . . . . 119 TYR N 51416 1 61 . 1 1 77 77 TRP N N 15 0.86215 0.028839 . . . . . . . . . . . . . . . . . . . . 120 TRP N 51416 1 62 . 1 1 79 79 ALA N N 15 0.98842 0.024738 . . . . . . . . . . . . . . . . . . . . 122 ALA N 51416 1 63 . 1 1 80 80 GLN N N 15 0.91735 0.010169 3.0679e-11 1.2181e-11 . . . . . . . . . . . . . . . . . . 123 GLN N 51416 1 64 . 1 1 81 81 GLU N N 15 0.91672 0.0088507 . . . . . . . . 0.93571 0.019531 0.97971 0.01679 . . . . . . . . 124 GLU N 51416 1 65 . 1 1 82 82 CYS N N 15 0.90548 0.0072774 1.0134e-11 6.5274e-12 . . . . . . . . . . . . . . . . . . 125 CYS N 51416 1 66 . 1 1 83 83 ILE N N 15 0.89066 0.022479 . . . . . . . . . . . . . . . . . . . . 126 ILE N 51416 1 67 . 1 1 84 84 GLN N N 15 0.88732 0.0067863 . . . . . . . . 0.91849 0.0085791 0.96606 0.0081562 . . . . . . . . 127 GLN N 51416 1 68 . 1 1 85 85 ASP N N 15 0.89767 0.007049 1.4173e-11 5.8431e-12 . . . . . . . . . . . . . . . . . . 128 ASP N 51416 1 69 . 1 1 86 86 PHE N N 15 0.9106 0.019853 . . . . . . . . . . . . . . . . . . . . 129 PHE N 51416 1 70 . 1 1 87 87 ASN N N 15 0.89195 0.006864 . . . . . . . . . . . . . . . . . . . . 130 ASN N 51416 1 71 . 1 1 88 88 THR N N 15 0.92887 0.0069035 . . . . . . . . . . . . . . . . . . . . 131 THR N 51416 1 72 . 1 1 89 89 MET N N 15 0.90231 0.020276 . . . . . . . . . . . . . . . . . . . . 132 MET N 51416 1 73 . 1 1 90 90 PHE N N 15 0.90723 0.020345 . . . . . . . . . . . . . . . . . . . . 133 PHE N 51416 1 74 . 1 1 91 91 THR N N 15 0.9118 0.0091653 . . . . . . . . . . . . . . . . . . . . 134 THR N 51416 1 75 . 1 1 92 92 ASN N N 15 0.95403 0.0069589 . . . . . . . . . . . . . . . . . . . . 135 ASN N 51416 1 76 . 1 1 93 93 CYS N N 15 0.88217 0.014773 . . . . . . . . . . . . . . . . . . . . 136 CYS N 51416 1 77 . 1 1 94 94 TYR N N 15 0.93437 0.0073819 . . . . . . . . . . . . . . . . . . . . 137 TYR N 51416 1 78 . 1 1 95 95 ILE N N 15 0.87929 0.0080329 1.4099e-11 5.9924e-12 . . . . . . . . . . . . . . . . . . 138 ILE N 51416 1 79 . 1 1 97 97 ASN N N 15 0.8568 0.04272 . . . . . . . . 0.88233 0.051692 0.97106 0.034327 . . . . . . . . 140 ASN N 51416 1 80 . 1 1 98 98 LYS N N 15 0.77299 0.0049154 2.4305e-11 2.4998e-12 . . . . . . . . . . . . . . . . . . 141 LYS N 51416 1 81 . 1 1 100 100 GLY N N 15 0.74689 0.046634 . . . . . . . . 0.82128 0.030374 0.90943 0.025728 . . . . . . . . 143 GLY N 51416 1 82 . 1 1 101 101 ASP N N 15 0.87998 0.0057089 . . . . . . . . 0.92283 0.0058632 0.95357 0.0067517 . . . . . . . . 144 ASP N 51416 1 83 . 1 1 102 102 ASP N N 15 0.83043 0.0051561 1.1679e-11 3.0116e-12 . . . . . . . . . . . . . . . . . . 145 ASP N 51416 1 84 . 1 1 103 103 ILE N N 15 0.88353 0.0057469 2.6923e-11 4.9929e-12 . . . . . . . . . . . . . . . . . . 146 ILE N 51416 1 85 . 1 1 104 104 VAL N N 15 0.93907 0.0077864 2.2254e-11 1.2236e-11 . . . . . . . . . . . . . . . . . . 147 VAL N 51416 1 86 . 1 1 105 105 LEU N N 15 0.88989 0.010173 . . . . . . . . 0.90768 0.02155 0.9804 0.019827 . . . . . . . . 148 LEU N 51416 1 87 . 1 1 106 106 MET N N 15 0.9081 0.007603 . . . . . . . . . . . . . . . . . . . . 149 MET N 51416 1 88 . 1 1 107 107 ALA N N 15 0.88605 0.015369 9.7503e-12 4.8818e-12 . . . . . . . . . . . . . . . . . . 150 ALA N 51416 1 89 . 1 1 108 108 GLU N N 15 0.89629 0.0066108 . . . . . . . . . . . . . . . . . . . . 151 GLU N 51416 1 90 . 1 1 109 109 ALA N N 15 0.91047 0.0073505 . . . . . . . . 0.92747 0.020241 0.98167 0.018796 . . . . . . . . 152 ALA N 51416 1 91 . 1 1 110 110 LEU N N 15 0.91677 0.006763 . . . . . . . . . . . . . . . . . . . . 153 LEU N 51416 1 92 . 1 1 111 111 GLU N N 15 0.91249 0.016875 . . . . . . . . . . . . . . . . . . . . 154 GLU N 51416 1 93 . 1 1 112 112 LYS N N 15 0.9211 0.0067352 . . . . . . . . . . . . . . . . . . . . 155 LYS N 51416 1 94 . 1 1 113 113 LEU N N 15 0.89459 0.012521 1.452e-11 5.2443e-12 . . . . . . . . . . . . . . . . . . 156 LEU N 51416 1 95 . 1 1 114 114 PHE N N 15 0.89367 0.014324 . . . . . . . . . . . . . . . . . . . . 157 PHE N 51416 1 96 . 1 1 115 115 LEU N N 15 0.93037 0.019135 . . . . . . . . . . . . . . . . . . . . 158 LEU N 51416 1 97 . 1 1 116 116 GLN N N 15 0.86007 0.035455 . . . . . . . . 0.88666 0.043822 0.97002 0.029661 . . . . . . . . 159 GLN N 51416 1 98 . 1 1 117 117 LYS N N 15 0.87173 0.0062057 1.4604e-11 4.8209e-12 . . . . . . . . . . . . . . . . . . 160 LYS N 51416 1 99 . 1 1 118 118 ILE N N 15 0.90381 0.017892 1.0286e-11 7.1755e-12 . . . . . . . . . . . . . . . . . . 161 ILE N 51416 1 100 . 1 1 119 119 ASN N N 15 0.90932 0.0078035 . . . . . . . . 0.94167 0.0070328 0.96564 0.0076953 . . . . . . . . 162 ASN N 51416 1 101 . 1 1 120 120 GLU N N 15 0.79025 0.006053 . . . . . . . . 0.8413 0.02661 0.93933 0.02413 . . . . . . . . 163 GLU N 51416 1 102 . 1 1 121 121 LEU N N 15 0.78661 0.0049386 . . . . . . . . 0.86762 0.0058121 0.90663 0.0069159 . . . . . . . . 164 LEU N 51416 1 103 . 1 1 123 123 THR N N 15 0.665 0.019521 . . 3.1227e-11 5.7023e-12 3.1227e-11 5.7023e-12 . . 0.74911 0.010907 0.88772 0.024891 . . . . . . . . 166 THR N 51416 1 104 . 1 1 124 124 GLU N N 15 0.64869 0.011721 . . 5.6526e-11 1.0324e-11 5.6526e-11 1.0324e-11 . . 0.79033 0.020473 0.82079 0.018356 . . . . . . . . 167 GLU N 51416 1 105 . 1 1 125 125 GLU N N 15 0.36068 0.0037044 . . . . . . . . 0.77217 0.008173 0.4671 0.0076966 . . . . . . . . 168 GLU N 51416 1 stop_ save_